USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 627 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 6 LYS NZ :NH3+ 155:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 140:sc= 1.04 USER MOD Set 2.1: A 7 THR OG1 : rot -47:sc= 0.16 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 1.23 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.13) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.18) 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 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00804 K(o=-0.008,f=-2!) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0.347! (180deg=-0.114!) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.14) USER MOD Single : A 31 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.82) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.19) USER MOD Single : A 40 GLN : amide:sc= 0.00891 X(o=0.0089,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.516 K(o=0.52,f=-3.2) 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=-0.28) USER MOD Single : A 55 THR OG1 : rot -75:sc= 0.622 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.465 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= -0.069 X(o=-0.069,f=-0.00013) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.13) 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= -0.142 K(o=-0.14,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.847 44.192 -12.491 1.00 0.00 N ATOM 2 CA MET A 1 -5.222 44.887 -11.183 1.00 0.00 C ATOM 3 C MET A 1 -4.070 45.184 -10.165 1.00 0.00 C ATOM 4 O MET A 1 -3.135 44.413 -10.179 1.00 0.00 O ATOM 5 CB MET A 1 -6.343 44.009 -10.536 1.00 0.00 C ATOM 6 CG MET A 1 -5.762 42.928 -9.574 1.00 0.00 C ATOM 7 SD MET A 1 -7.123 41.703 -9.185 1.00 0.00 S ATOM 8 CE MET A 1 -6.139 40.450 -8.380 1.00 0.00 C ATOM 0 H1 MET A 1 -5.661 44.208 -13.138 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.045 44.688 -12.930 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.579 43.206 -12.296 1.00 0.00 H new ATOM 0 HA MET A 1 -5.545 45.897 -11.437 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.032 44.650 -9.986 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.920 43.521 -11.322 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.915 42.422 -10.038 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.394 43.391 -8.659 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.782 39.625 -8.071 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.382 40.081 -9.072 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.651 40.878 -7.504 1.00 0.00 H new ATOM 18 N GLN A 2 -4.254 46.214 -9.294 1.00 0.00 N ATOM 19 CA GLN A 2 -3.331 46.424 -8.154 1.00 0.00 C ATOM 20 C GLN A 2 -3.683 45.642 -6.831 1.00 0.00 C ATOM 21 O GLN A 2 -4.839 45.380 -6.463 1.00 0.00 O ATOM 22 CB GLN A 2 -3.124 47.928 -7.811 1.00 0.00 C ATOM 23 CG GLN A 2 -4.381 48.838 -7.638 1.00 0.00 C ATOM 24 CD GLN A 2 -3.985 50.331 -7.320 1.00 0.00 C ATOM 25 OE1 GLN A 2 -3.010 50.919 -7.936 1.00 0.00 O ATOM 26 NE2 GLN A 2 -4.680 51.027 -6.443 1.00 0.00 N ATOM 0 H GLN A 2 -5.013 46.893 -9.359 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.402 45.996 -8.532 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.549 47.980 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.506 48.364 -8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.980 48.807 -8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.004 48.448 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.454 50.590 -5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.444 52.003 -6.265 1.00 0.00 H new ATOM 35 N ILE A 3 -2.600 45.332 -6.121 1.00 0.00 N ATOM 36 CA ILE A 3 -2.574 44.904 -4.706 1.00 0.00 C ATOM 37 C ILE A 3 -1.383 45.611 -4.028 1.00 0.00 C ATOM 38 O ILE A 3 -0.497 46.153 -4.707 1.00 0.00 O ATOM 39 CB ILE A 3 -2.446 43.357 -4.565 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.192 42.788 -5.325 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.797 42.714 -4.906 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.848 41.318 -4.925 1.00 0.00 C ATOM 0 H ILE A 3 -1.666 45.371 -6.529 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.514 45.179 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.232 43.082 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.374 42.833 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.331 43.425 -5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.719 41.631 -4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.560 43.085 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.073 42.969 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.026 40.984 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.635 41.272 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.694 40.671 -5.155 1.00 0.00 H new ATOM 54 N PHE A 4 -1.295 45.572 -2.686 1.00 0.00 N ATOM 55 CA PHE A 4 -0.277 46.303 -1.961 1.00 0.00 C ATOM 56 C PHE A 4 0.590 45.358 -1.156 1.00 0.00 C ATOM 57 O PHE A 4 0.070 44.467 -0.521 1.00 0.00 O ATOM 58 CB PHE A 4 -0.990 47.342 -0.985 1.00 0.00 C ATOM 59 CG PHE A 4 -2.065 48.113 -1.674 1.00 0.00 C ATOM 60 CD1 PHE A 4 -1.711 48.767 -2.849 1.00 0.00 C ATOM 61 CD2 PHE A 4 -3.372 48.092 -1.159 1.00 0.00 C ATOM 62 CE1 PHE A 4 -2.658 49.568 -3.514 1.00 0.00 C ATOM 63 CE2 PHE A 4 -4.283 48.921 -1.784 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.942 49.645 -2.934 1.00 0.00 C ATOM 0 H PHE A 4 -1.927 45.035 -2.092 1.00 0.00 H new ATOM 0 HA PHE A 4 0.361 46.830 -2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.415 46.807 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.247 48.033 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.714 48.661 -3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.648 47.465 -0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.414 50.097 -4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.279 49.013 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.685 50.282 -3.391 1.00 0.00 H new ATOM 74 N VAL A 5 1.945 45.562 -1.108 1.00 0.00 N ATOM 75 CA VAL A 5 2.828 44.846 -0.142 1.00 0.00 C ATOM 76 C VAL A 5 3.261 45.898 0.923 1.00 0.00 C ATOM 77 O VAL A 5 3.771 46.974 0.559 1.00 0.00 O ATOM 78 CB VAL A 5 4.082 44.168 -0.757 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.793 43.284 0.322 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.645 43.237 -1.914 1.00 0.00 C ATOM 0 H VAL A 5 2.440 46.210 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 5 2.257 44.016 0.274 1.00 0.00 H new ATOM 0 HB VAL A 5 4.758 44.944 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.672 42.811 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.098 43.909 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.105 42.515 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.523 42.759 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.969 42.473 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.135 43.822 -2.679 1.00 0.00 H new ATOM 90 N LYS A 6 3.071 45.581 2.242 1.00 0.00 N ATOM 91 CA LYS A 6 3.708 46.348 3.305 1.00 0.00 C ATOM 92 C LYS A 6 5.122 45.745 3.523 1.00 0.00 C ATOM 93 O LYS A 6 5.212 44.529 3.690 1.00 0.00 O ATOM 94 CB LYS A 6 2.860 46.339 4.623 1.00 0.00 C ATOM 95 CG LYS A 6 1.524 47.120 4.558 1.00 0.00 C ATOM 96 CD LYS A 6 1.931 48.634 4.417 1.00 0.00 C ATOM 97 CE LYS A 6 0.642 49.479 4.548 1.00 0.00 C ATOM 98 NZ LYS A 6 0.955 50.935 4.422 1.00 0.00 N ATOM 0 H LYS A 6 2.488 44.809 2.567 1.00 0.00 H new ATOM 0 HA LYS A 6 3.785 47.397 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.644 45.304 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.466 46.755 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.920 46.795 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.929 46.955 5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.650 48.911 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.410 48.814 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.071 49.186 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.169 49.285 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.111 51.444 4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.245 51.309 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.728 51.066 3.739 1.00 0.00 H new ATOM 112 N THR A 7 6.220 46.552 3.431 1.00 0.00 N ATOM 113 CA THR A 7 7.517 46.045 3.827 1.00 0.00 C ATOM 114 C THR A 7 7.784 46.618 5.216 1.00 0.00 C ATOM 115 O THR A 7 7.374 47.720 5.527 1.00 0.00 O ATOM 116 CB THR A 7 8.630 46.369 2.842 1.00 0.00 C ATOM 117 OG1 THR A 7 8.991 47.753 2.795 1.00 0.00 O ATOM 118 CG2 THR A 7 8.175 45.985 1.410 1.00 0.00 C ATOM 0 H THR A 7 6.211 47.516 3.096 1.00 0.00 H new ATOM 0 HA THR A 7 7.504 44.955 3.840 1.00 0.00 H new ATOM 0 HB THR A 7 9.495 45.802 3.187 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.180 48.301 2.739 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.970 46.216 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.954 44.918 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.281 46.551 1.148 1.00 0.00 H new ATOM 126 N LEU A 8 8.369 45.804 6.094 1.00 0.00 N ATOM 127 CA LEU A 8 8.517 46.109 7.520 1.00 0.00 C ATOM 128 C LEU A 8 9.812 46.930 7.730 1.00 0.00 C ATOM 129 O LEU A 8 10.279 47.107 8.861 1.00 0.00 O ATOM 130 CB LEU A 8 8.491 44.712 8.276 1.00 0.00 C ATOM 131 CG LEU A 8 7.188 43.832 8.053 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.319 42.547 8.910 1.00 0.00 C ATOM 133 CD2 LEU A 8 5.911 44.605 8.549 1.00 0.00 C ATOM 0 H LEU A 8 8.760 44.899 5.832 1.00 0.00 H new ATOM 0 HA LEU A 8 7.716 46.729 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.357 44.132 7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.604 44.896 9.344 1.00 0.00 H new ATOM 0 HG LEU A 8 7.090 43.604 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.434 41.926 8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.204 41.991 8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.412 42.819 9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.027 43.988 8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.010 44.828 9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.810 45.536 7.991 1.00 0.00 H new ATOM 145 N THR A 9 10.419 47.456 6.634 1.00 0.00 N ATOM 146 CA THR A 9 11.445 48.465 6.722 1.00 0.00 C ATOM 147 C THR A 9 10.852 49.863 6.661 1.00 0.00 C ATOM 148 O THR A 9 11.562 50.852 6.878 1.00 0.00 O ATOM 149 CB THR A 9 12.391 48.380 5.522 1.00 0.00 C ATOM 150 OG1 THR A 9 11.849 48.699 4.276 1.00 0.00 O ATOM 151 CG2 THR A 9 12.882 46.985 5.304 1.00 0.00 C ATOM 0 H THR A 9 10.194 47.177 5.679 1.00 0.00 H new ATOM 0 HA THR A 9 11.961 48.290 7.666 1.00 0.00 H new ATOM 0 HB THR A 9 13.151 49.108 5.807 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.540 48.612 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.551 46.965 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.420 46.646 6.189 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.034 46.325 5.120 1.00 0.00 H new ATOM 159 N GLY A 10 9.536 49.904 6.396 1.00 0.00 N ATOM 160 CA GLY A 10 8.746 51.108 6.510 1.00 0.00 C ATOM 161 C GLY A 10 8.333 51.661 5.133 1.00 0.00 C ATOM 162 O GLY A 10 8.153 52.866 4.995 1.00 0.00 O ATOM 0 H GLY A 10 9.001 49.089 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.853 50.901 7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.315 51.865 7.049 1.00 0.00 H new ATOM 166 N LYS A 11 8.047 50.802 4.110 1.00 0.00 N ATOM 167 CA LYS A 11 7.458 51.304 2.860 1.00 0.00 C ATOM 168 C LYS A 11 6.300 50.419 2.317 1.00 0.00 C ATOM 169 O LYS A 11 6.209 49.234 2.626 1.00 0.00 O ATOM 170 CB LYS A 11 8.527 51.237 1.750 1.00 0.00 C ATOM 171 CG LYS A 11 9.804 51.941 2.140 1.00 0.00 C ATOM 172 CD LYS A 11 10.873 51.981 0.964 1.00 0.00 C ATOM 173 CE LYS A 11 11.270 50.536 0.449 1.00 0.00 C ATOM 174 NZ LYS A 11 12.364 50.713 -0.539 1.00 0.00 N ATOM 0 H LYS A 11 8.213 49.796 4.135 1.00 0.00 H new ATOM 0 HA LYS A 11 7.092 52.305 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.745 50.194 1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.131 51.686 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.571 52.961 2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.240 51.439 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.471 52.561 0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.768 52.498 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.597 49.907 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.414 50.041 -0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.736 49.782 -0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.997 51.202 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.127 51.279 -0.115 1.00 0.00 H new ATOM 188 N THR A 12 5.453 51.031 1.495 1.00 0.00 N ATOM 189 CA THR A 12 4.382 50.309 0.783 1.00 0.00 C ATOM 190 C THR A 12 4.764 50.170 -0.685 1.00 0.00 C ATOM 191 O THR A 12 5.307 51.076 -1.308 1.00 0.00 O ATOM 192 CB THR A 12 3.054 51.075 0.926 1.00 0.00 C ATOM 193 OG1 THR A 12 2.744 51.334 2.302 1.00 0.00 O ATOM 194 CG2 THR A 12 1.928 50.197 0.316 1.00 0.00 C ATOM 0 H THR A 12 5.481 52.032 1.299 1.00 0.00 H new ATOM 0 HA THR A 12 4.255 49.316 1.213 1.00 0.00 H new ATOM 0 HB THR A 12 3.140 52.032 0.412 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.373 52.237 2.389 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.974 50.716 0.404 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.143 50.009 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.876 49.249 0.851 1.00 0.00 H new ATOM 202 N ILE A 13 4.630 48.935 -1.254 1.00 0.00 N ATOM 203 CA ILE A 13 4.888 48.648 -2.630 1.00 0.00 C ATOM 204 C ILE A 13 3.536 48.396 -3.267 1.00 0.00 C ATOM 205 O ILE A 13 2.681 47.768 -2.641 1.00 0.00 O ATOM 206 CB ILE A 13 5.706 47.334 -2.713 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.010 47.458 -1.846 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.114 47.039 -4.176 1.00 0.00 C ATOM 209 CD1 ILE A 13 8.005 48.697 -2.159 1.00 0.00 C ATOM 0 H ILE A 13 4.330 48.117 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 13 5.431 49.458 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 13 5.082 46.523 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.712 47.523 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.578 46.534 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.687 46.113 -4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.219 46.937 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.723 47.859 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.861 48.656 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.352 48.634 -3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.473 49.637 -2.012 1.00 0.00 H new ATOM 221 N THR A 14 3.357 48.843 -4.538 1.00 0.00 N ATOM 222 CA THR A 14 2.142 48.481 -5.298 1.00 0.00 C ATOM 223 C THR A 14 2.502 47.577 -6.504 1.00 0.00 C ATOM 224 O THR A 14 3.379 47.902 -7.277 1.00 0.00 O ATOM 225 CB THR A 14 1.249 49.703 -5.694 1.00 0.00 C ATOM 226 OG1 THR A 14 0.962 50.418 -4.516 1.00 0.00 O ATOM 227 CG2 THR A 14 -0.110 49.218 -6.275 1.00 0.00 C ATOM 0 H THR A 14 4.018 49.435 -5.041 1.00 0.00 H new ATOM 0 HA THR A 14 1.511 47.903 -4.623 1.00 0.00 H new ATOM 0 HB THR A 14 1.773 50.308 -6.435 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.403 51.193 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.719 50.081 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.070 48.609 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.634 48.624 -5.527 1.00 0.00 H new ATOM 235 N LEU A 15 1.845 46.402 -6.603 1.00 0.00 N ATOM 236 CA LEU A 15 2.088 45.413 -7.653 1.00 0.00 C ATOM 237 C LEU A 15 0.832 45.367 -8.514 1.00 0.00 C ATOM 238 O LEU A 15 -0.272 45.120 -8.010 1.00 0.00 O ATOM 239 CB LEU A 15 2.371 43.983 -7.037 1.00 0.00 C ATOM 240 CG LEU A 15 3.665 43.911 -6.162 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.886 42.515 -5.526 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.975 44.284 -6.904 1.00 0.00 C ATOM 0 H LEU A 15 1.122 46.118 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 15 2.965 45.691 -8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.517 43.685 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.453 43.259 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 15 3.470 44.661 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.799 42.527 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.039 42.268 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.976 41.767 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.817 44.205 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.125 43.603 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.904 45.306 -7.275 1.00 0.00 H new ATOM 254 N GLU A 16 0.974 45.534 -9.874 1.00 0.00 N ATOM 255 CA GLU A 16 -0.138 45.178 -10.780 1.00 0.00 C ATOM 256 C GLU A 16 0.009 43.715 -11.248 1.00 0.00 C ATOM 257 O GLU A 16 1.003 43.267 -11.829 1.00 0.00 O ATOM 258 CB GLU A 16 -0.293 46.024 -12.093 1.00 0.00 C ATOM 259 CG GLU A 16 -0.950 47.410 -11.759 1.00 0.00 C ATOM 260 CD GLU A 16 -1.118 48.351 -12.977 1.00 0.00 C ATOM 261 OE1 GLU A 16 -1.808 47.998 -13.952 1.00 0.00 O ATOM 262 OE2 GLU A 16 -0.498 49.427 -12.902 1.00 0.00 O ATOM 0 H GLU A 16 1.810 45.896 -10.333 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.015 45.375 -10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.682 46.176 -12.556 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.907 45.484 -12.814 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.929 47.236 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.342 47.914 -11.007 1.00 0.00 H new ATOM 269 N VAL A 17 -1.083 42.988 -10.924 1.00 0.00 N ATOM 270 CA VAL A 17 -1.235 41.530 -11.120 1.00 0.00 C ATOM 271 C VAL A 17 -2.503 41.201 -11.874 1.00 0.00 C ATOM 272 O VAL A 17 -3.359 42.026 -12.063 1.00 0.00 O ATOM 273 CB VAL A 17 -1.223 40.791 -9.787 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.158 41.057 -9.132 1.00 0.00 C ATOM 275 CG2 VAL A 17 -2.277 41.320 -8.804 1.00 0.00 C ATOM 0 H VAL A 17 -1.910 43.414 -10.505 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.383 41.199 -11.714 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.429 39.739 -9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.210 40.544 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.948 40.686 -9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.288 42.128 -8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.222 40.756 -7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.089 42.374 -8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.270 41.206 -9.239 1.00 0.00 H new ATOM 285 N GLU A 18 -2.579 39.996 -12.401 1.00 0.00 N ATOM 286 CA GLU A 18 -3.799 39.468 -13.059 1.00 0.00 C ATOM 287 C GLU A 18 -4.180 38.357 -12.054 1.00 0.00 C ATOM 288 O GLU A 18 -3.251 37.694 -11.623 1.00 0.00 O ATOM 289 CB GLU A 18 -3.523 38.784 -14.426 1.00 0.00 C ATOM 290 CG GLU A 18 -2.957 39.777 -15.509 1.00 0.00 C ATOM 291 CD GLU A 18 -4.035 40.816 -15.942 1.00 0.00 C ATOM 292 OE1 GLU A 18 -3.699 41.996 -15.811 1.00 0.00 O ATOM 293 OE2 GLU A 18 -5.148 40.431 -16.353 1.00 0.00 O ATOM 0 H GLU A 18 -1.801 39.336 -12.395 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.531 40.248 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.813 37.970 -14.282 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.447 38.339 -14.796 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.087 40.298 -15.109 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.620 39.215 -16.380 1.00 0.00 H new ATOM 300 N PRO A 19 -5.429 38.040 -11.731 1.00 0.00 N ATOM 301 CA PRO A 19 -5.753 36.910 -10.787 1.00 0.00 C ATOM 302 C PRO A 19 -5.397 35.496 -11.238 1.00 0.00 C ATOM 303 O PRO A 19 -5.338 34.595 -10.374 1.00 0.00 O ATOM 304 CB PRO A 19 -7.296 37.147 -10.507 1.00 0.00 C ATOM 305 CG PRO A 19 -7.786 37.923 -11.728 1.00 0.00 C ATOM 306 CD PRO A 19 -6.616 38.775 -12.183 1.00 0.00 C ATOM 0 HA PRO A 19 -5.126 36.943 -9.896 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.830 36.203 -10.395 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.451 37.712 -9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.104 37.244 -12.519 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.645 38.544 -11.476 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.615 38.903 -13.265 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.657 39.772 -11.744 1.00 0.00 H new ATOM 314 N SER A 20 -4.946 35.308 -12.474 1.00 0.00 N ATOM 315 CA SER A 20 -4.316 33.987 -12.800 1.00 0.00 C ATOM 316 C SER A 20 -2.806 33.965 -12.479 1.00 0.00 C ATOM 317 O SER A 20 -2.191 32.914 -12.672 1.00 0.00 O ATOM 318 CB SER A 20 -4.595 33.565 -14.245 1.00 0.00 C ATOM 319 OG SER A 20 -6.012 33.565 -14.466 1.00 0.00 O ATOM 0 H SER A 20 -4.988 35.986 -13.235 1.00 0.00 H new ATOM 0 HA SER A 20 -4.786 33.248 -12.151 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.106 34.249 -14.938 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.185 32.573 -14.433 1.00 0.00 H new ATOM 0 HG SER A 20 -6.199 33.297 -15.390 1.00 0.00 H new ATOM 325 N ASP A 21 -2.139 35.066 -12.034 1.00 0.00 N ATOM 326 CA ASP A 21 -0.697 34.979 -11.741 1.00 0.00 C ATOM 327 C ASP A 21 -0.360 34.183 -10.484 1.00 0.00 C ATOM 328 O ASP A 21 -1.024 34.226 -9.453 1.00 0.00 O ATOM 329 CB ASP A 21 -0.081 36.416 -11.594 1.00 0.00 C ATOM 330 CG ASP A 21 -0.188 37.242 -12.906 1.00 0.00 C ATOM 331 OD1 ASP A 21 -0.079 36.651 -13.981 1.00 0.00 O ATOM 332 OD2 ASP A 21 -0.220 38.487 -12.840 1.00 0.00 O ATOM 0 H ASP A 21 -2.561 35.981 -11.878 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.267 34.446 -12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.592 36.947 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.967 36.332 -11.305 1.00 0.00 H new ATOM 337 N THR A 22 0.776 33.460 -10.503 1.00 0.00 N ATOM 338 CA THR A 22 1.223 32.823 -9.272 1.00 0.00 C ATOM 339 C THR A 22 1.919 33.763 -8.307 1.00 0.00 C ATOM 340 O THR A 22 2.444 34.849 -8.672 1.00 0.00 O ATOM 341 CB THR A 22 2.092 31.571 -9.580 1.00 0.00 C ATOM 342 OG1 THR A 22 3.124 31.848 -10.537 1.00 0.00 O ATOM 343 CG2 THR A 22 1.120 30.558 -10.211 1.00 0.00 C ATOM 0 H THR A 22 1.369 33.312 -11.320 1.00 0.00 H new ATOM 0 HA THR A 22 0.319 32.502 -8.754 1.00 0.00 H new ATOM 0 HB THR A 22 2.579 31.219 -8.671 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.646 31.035 -10.699 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.658 29.643 -10.458 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.322 30.330 -9.504 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.690 30.983 -11.118 1.00 0.00 H new ATOM 351 N ILE A 23 1.978 33.203 -7.055 1.00 0.00 N ATOM 352 CA ILE A 23 2.672 33.814 -5.951 1.00 0.00 C ATOM 353 C ILE A 23 4.157 33.863 -6.185 1.00 0.00 C ATOM 354 O ILE A 23 4.750 34.853 -5.823 1.00 0.00 O ATOM 355 CB ILE A 23 2.326 33.148 -4.547 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.815 33.124 -4.245 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.211 33.796 -3.419 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.091 34.477 -4.545 1.00 0.00 C ATOM 0 H ILE A 23 1.534 32.315 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 23 2.307 34.840 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 23 2.587 32.090 -4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.349 32.334 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.667 32.868 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.971 33.337 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.265 33.634 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.011 34.866 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.969 34.383 -4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.530 35.267 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.206 34.725 -5.600 1.00 0.00 H new ATOM 370 N GLU A 24 4.745 32.869 -6.858 1.00 0.00 N ATOM 371 CA GLU A 24 6.122 32.936 -7.402 1.00 0.00 C ATOM 372 C GLU A 24 6.308 34.109 -8.384 1.00 0.00 C ATOM 373 O GLU A 24 7.343 34.779 -8.284 1.00 0.00 O ATOM 374 CB GLU A 24 6.467 31.543 -8.101 1.00 0.00 C ATOM 375 CG GLU A 24 7.738 31.559 -9.001 1.00 0.00 C ATOM 376 CD GLU A 24 8.163 30.170 -9.615 1.00 0.00 C ATOM 377 OE1 GLU A 24 9.170 30.114 -10.355 1.00 0.00 O ATOM 378 OE2 GLU A 24 7.487 29.200 -9.349 1.00 0.00 O ATOM 0 H GLU A 24 4.280 31.981 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 24 6.811 33.118 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.597 30.787 -7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.614 31.236 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.572 32.261 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.571 31.945 -8.414 1.00 0.00 H new ATOM 385 N ASN A 25 5.327 34.378 -9.247 1.00 0.00 N ATOM 386 CA ASN A 25 5.385 35.556 -10.155 1.00 0.00 C ATOM 387 C ASN A 25 5.326 36.881 -9.407 1.00 0.00 C ATOM 388 O ASN A 25 6.030 37.787 -9.828 1.00 0.00 O ATOM 389 CB ASN A 25 4.306 35.345 -11.292 1.00 0.00 C ATOM 390 CG ASN A 25 4.265 36.572 -12.228 1.00 0.00 C ATOM 391 OD1 ASN A 25 3.167 37.072 -12.590 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.371 37.092 -12.749 1.00 0.00 N ATOM 0 H ASN A 25 4.485 33.811 -9.347 1.00 0.00 H new ATOM 0 HA ASN A 25 6.357 35.626 -10.644 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.543 34.449 -11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.324 35.187 -10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.308 37.864 -13.413 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.283 36.719 -12.485 1.00 0.00 H new ATOM 399 N VAL A 26 4.454 36.958 -8.408 1.00 0.00 N ATOM 400 CA VAL A 26 4.397 38.088 -7.441 1.00 0.00 C ATOM 401 C VAL A 26 5.757 38.255 -6.728 1.00 0.00 C ATOM 402 O VAL A 26 6.277 39.363 -6.638 1.00 0.00 O ATOM 403 CB VAL A 26 3.186 37.963 -6.485 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.158 39.042 -5.406 1.00 0.00 C ATOM 405 CG2 VAL A 26 1.903 38.266 -7.320 1.00 0.00 C ATOM 0 H VAL A 26 3.753 36.239 -8.231 1.00 0.00 H new ATOM 0 HA VAL A 26 4.224 39.016 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 26 3.245 36.972 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.285 38.898 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.063 38.976 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.107 40.025 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.025 38.188 -6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.965 39.274 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.822 37.548 -8.136 1.00 0.00 H new ATOM 415 N LYS A 27 6.399 37.185 -6.287 1.00 0.00 N ATOM 416 CA LYS A 27 7.765 37.249 -5.762 1.00 0.00 C ATOM 417 C LYS A 27 8.793 37.741 -6.775 1.00 0.00 C ATOM 418 O LYS A 27 9.756 38.362 -6.373 1.00 0.00 O ATOM 419 CB LYS A 27 8.194 35.893 -5.231 1.00 0.00 C ATOM 420 CG LYS A 27 7.361 35.514 -3.930 1.00 0.00 C ATOM 421 CD LYS A 27 7.613 34.038 -3.565 1.00 0.00 C ATOM 422 CE LYS A 27 8.969 33.744 -2.840 1.00 0.00 C ATOM 423 NZ LYS A 27 9.440 32.353 -3.104 1.00 0.00 N ATOM 0 H LYS A 27 5.995 36.248 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 27 7.736 37.984 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.047 35.133 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.258 35.908 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.651 36.159 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.298 35.679 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.798 33.696 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.573 33.444 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.724 34.455 -3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.848 33.891 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.413 32.244 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.819 31.677 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.417 32.167 -4.127 1.00 0.00 H new ATOM 437 N ALA A 28 8.613 37.479 -8.057 1.00 0.00 N ATOM 438 CA ALA A 28 9.528 38.074 -9.047 1.00 0.00 C ATOM 439 C ALA A 28 9.387 39.614 -9.159 1.00 0.00 C ATOM 440 O ALA A 28 10.359 40.336 -9.437 1.00 0.00 O ATOM 441 CB ALA A 28 9.416 37.380 -10.420 1.00 0.00 C ATOM 0 H ALA A 28 7.877 36.885 -8.438 1.00 0.00 H new ATOM 0 HA ALA A 28 10.536 37.895 -8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.107 37.848 -11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.665 36.324 -10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.397 37.477 -10.795 1.00 0.00 H new ATOM 447 N LYS A 29 8.182 40.135 -8.833 1.00 0.00 N ATOM 448 CA LYS A 29 7.867 41.558 -8.978 1.00 0.00 C ATOM 449 C LYS A 29 8.284 42.352 -7.711 1.00 0.00 C ATOM 450 O LYS A 29 8.685 43.519 -7.857 1.00 0.00 O ATOM 451 CB LYS A 29 6.362 41.807 -9.214 1.00 0.00 C ATOM 452 CG LYS A 29 6.025 41.537 -10.684 1.00 0.00 C ATOM 453 CD LYS A 29 4.524 41.754 -10.939 1.00 0.00 C ATOM 454 CE LYS A 29 4.339 41.840 -12.477 1.00 0.00 C ATOM 455 NZ LYS A 29 2.863 41.687 -12.861 1.00 0.00 N ATOM 0 H LYS A 29 7.411 39.577 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 29 8.428 41.899 -9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.769 41.158 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.107 42.834 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.608 42.198 -11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.301 40.515 -10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.939 40.933 -10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.178 42.668 -10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.716 42.796 -12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.927 41.061 -12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.785 41.544 -13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.459 40.867 -12.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.343 42.546 -12.590 1.00 0.00 H new ATOM 469 N ILE A 30 8.269 41.630 -6.505 1.00 0.00 N ATOM 470 CA ILE A 30 8.920 42.081 -5.268 1.00 0.00 C ATOM 471 C ILE A 30 10.480 42.208 -5.491 1.00 0.00 C ATOM 472 O ILE A 30 11.053 43.204 -5.059 1.00 0.00 O ATOM 473 CB ILE A 30 8.603 41.150 -4.032 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.137 41.441 -3.646 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.612 41.493 -2.878 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.658 40.232 -2.750 1.00 0.00 C ATOM 0 H ILE A 30 7.798 40.731 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 30 8.508 43.061 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 30 8.717 40.088 -4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.059 42.382 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.514 41.535 -4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.407 40.859 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.631 41.319 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.498 42.539 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.622 40.390 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.733 39.305 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.287 40.165 -1.863 1.00 0.00 H new ATOM 488 N GLN A 31 11.090 41.204 -6.129 1.00 0.00 N ATOM 489 CA GLN A 31 12.518 41.235 -6.508 1.00 0.00 C ATOM 490 C GLN A 31 12.776 42.336 -7.529 1.00 0.00 C ATOM 491 O GLN A 31 13.676 43.124 -7.310 1.00 0.00 O ATOM 492 CB GLN A 31 13.017 39.850 -7.000 1.00 0.00 C ATOM 493 CG GLN A 31 14.586 39.891 -7.205 1.00 0.00 C ATOM 494 CD GLN A 31 15.026 40.334 -8.620 1.00 0.00 C ATOM 495 OE1 GLN A 31 14.397 39.969 -9.613 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.085 41.157 -8.763 1.00 0.00 N ATOM 0 H GLN A 31 10.613 40.344 -6.400 1.00 0.00 H new ATOM 0 HA GLN A 31 13.099 41.468 -5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.755 39.080 -6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.525 39.587 -7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.020 40.571 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.994 38.901 -7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.609 41.462 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.362 41.475 -9.692 1.00 0.00 H new ATOM 505 N ASP A 32 11.941 42.486 -8.568 1.00 0.00 N ATOM 506 CA ASP A 32 12.079 43.567 -9.532 1.00 0.00 C ATOM 507 C ASP A 32 11.959 44.943 -8.841 1.00 0.00 C ATOM 508 O ASP A 32 12.833 45.764 -9.081 1.00 0.00 O ATOM 509 CB ASP A 32 10.975 43.268 -10.603 1.00 0.00 C ATOM 510 CG ASP A 32 11.062 43.953 -12.012 1.00 0.00 C ATOM 511 OD1 ASP A 32 10.088 43.817 -12.793 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.111 44.507 -12.319 1.00 0.00 O ATOM 0 H ASP A 32 11.158 41.860 -8.756 1.00 0.00 H new ATOM 0 HA ASP A 32 13.058 43.615 -10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.959 42.190 -10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.014 43.539 -10.166 1.00 0.00 H new ATOM 517 N LYS A 33 11.003 45.202 -7.922 1.00 0.00 N ATOM 518 CA LYS A 33 11.090 46.427 -7.134 1.00 0.00 C ATOM 519 C LYS A 33 12.176 46.549 -6.072 1.00 0.00 C ATOM 520 O LYS A 33 12.949 47.514 -6.146 1.00 0.00 O ATOM 521 CB LYS A 33 9.663 46.716 -6.606 1.00 0.00 C ATOM 522 CG LYS A 33 9.550 48.059 -5.715 1.00 0.00 C ATOM 523 CD LYS A 33 9.957 49.338 -6.532 1.00 0.00 C ATOM 524 CE LYS A 33 9.536 50.639 -5.751 1.00 0.00 C ATOM 525 NZ LYS A 33 10.381 50.754 -4.562 1.00 0.00 N ATOM 0 H LYS A 33 10.202 44.604 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 33 11.453 47.203 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.983 46.797 -7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.329 45.867 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.528 48.169 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.191 47.968 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.033 49.341 -6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.477 49.321 -7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.652 51.517 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.485 50.588 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.107 51.600 -4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.260 49.909 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.377 50.835 -4.850 1.00 0.00 H new ATOM 539 N GLU A 34 12.231 45.654 -5.142 1.00 0.00 N ATOM 540 CA GLU A 34 13.023 45.847 -3.909 1.00 0.00 C ATOM 541 C GLU A 34 14.293 45.005 -3.889 1.00 0.00 C ATOM 542 O GLU A 34 15.082 45.149 -2.984 1.00 0.00 O ATOM 543 CB GLU A 34 12.133 45.517 -2.681 1.00 0.00 C ATOM 544 CG GLU A 34 11.016 46.559 -2.442 1.00 0.00 C ATOM 545 CD GLU A 34 11.582 47.985 -2.218 1.00 0.00 C ATOM 546 OE1 GLU A 34 12.603 48.171 -1.504 1.00 0.00 O ATOM 547 OE2 GLU A 34 10.993 48.885 -2.792 1.00 0.00 O ATOM 0 H GLU A 34 11.740 44.761 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 34 13.344 46.888 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.681 44.535 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.760 45.455 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.341 46.568 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.426 46.264 -1.574 1.00 0.00 H new ATOM 554 N GLY A 35 14.565 44.162 -4.865 1.00 0.00 N ATOM 555 CA GLY A 35 15.909 43.505 -4.966 1.00 0.00 C ATOM 556 C GLY A 35 16.122 42.393 -3.938 1.00 0.00 C ATOM 557 O GLY A 35 17.236 42.152 -3.469 1.00 0.00 O ATOM 0 H GLY A 35 13.907 43.901 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.028 43.091 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.685 44.260 -4.839 1.00 0.00 H new ATOM 561 N ILE A 36 15.001 41.769 -3.531 1.00 0.00 N ATOM 562 CA ILE A 36 15.091 40.799 -2.451 1.00 0.00 C ATOM 563 C ILE A 36 15.142 39.434 -3.121 1.00 0.00 C ATOM 564 O ILE A 36 14.278 39.199 -3.943 1.00 0.00 O ATOM 565 CB ILE A 36 13.790 40.838 -1.605 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.659 42.222 -0.968 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.871 39.780 -0.430 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.312 42.448 -0.240 1.00 0.00 C ATOM 0 H ILE A 36 14.069 41.916 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 36 15.953 41.003 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 36 12.942 40.615 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.474 42.364 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.775 42.981 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.953 39.817 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.995 38.781 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.721 40.013 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.293 43.451 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.492 42.339 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.201 41.713 0.557 1.00 0.00 H new ATOM 580 N PRO A 37 16.071 38.559 -2.828 1.00 0.00 N ATOM 581 CA PRO A 37 15.954 37.125 -3.358 1.00 0.00 C ATOM 582 C PRO A 37 14.643 36.351 -3.054 1.00 0.00 C ATOM 583 O PRO A 37 14.200 36.360 -1.938 1.00 0.00 O ATOM 584 CB PRO A 37 17.208 36.467 -2.676 1.00 0.00 C ATOM 585 CG PRO A 37 18.218 37.565 -2.643 1.00 0.00 C ATOM 586 CD PRO A 37 17.392 38.814 -2.237 1.00 0.00 C ATOM 0 HA PRO A 37 15.921 37.105 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.975 36.109 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.568 35.610 -3.245 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.011 37.358 -1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.695 37.699 -3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.333 38.921 -1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.835 39.731 -2.625 1.00 0.00 H new ATOM 594 N PRO A 38 13.961 35.721 -4.023 1.00 0.00 N ATOM 595 CA PRO A 38 12.655 35.019 -3.722 1.00 0.00 C ATOM 596 C PRO A 38 12.781 33.838 -2.757 1.00 0.00 C ATOM 597 O PRO A 38 11.796 33.508 -2.127 1.00 0.00 O ATOM 598 CB PRO A 38 12.158 34.678 -5.166 1.00 0.00 C ATOM 599 CG PRO A 38 12.700 35.803 -6.032 1.00 0.00 C ATOM 600 CD PRO A 38 14.092 36.035 -5.457 1.00 0.00 C ATOM 0 HA PRO A 38 11.938 35.619 -3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.532 33.709 -5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.070 34.632 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.739 35.520 -7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.081 36.698 -5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.831 35.393 -5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.417 37.064 -5.609 1.00 0.00 H new ATOM 608 N ASP A 39 13.999 33.283 -2.575 1.00 0.00 N ATOM 609 CA ASP A 39 14.258 32.374 -1.460 1.00 0.00 C ATOM 610 C ASP A 39 13.950 32.979 -0.081 1.00 0.00 C ATOM 611 O ASP A 39 13.463 32.245 0.787 1.00 0.00 O ATOM 612 CB ASP A 39 15.737 31.876 -1.462 1.00 0.00 C ATOM 613 CG ASP A 39 16.010 30.977 -2.683 1.00 0.00 C ATOM 614 OD1 ASP A 39 15.261 30.038 -2.992 1.00 0.00 O ATOM 615 OD2 ASP A 39 17.034 31.161 -3.264 1.00 0.00 O ATOM 0 H ASP A 39 14.802 33.451 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 39 13.575 31.540 -1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.413 32.731 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.941 31.323 -0.545 1.00 0.00 H new ATOM 620 N GLN A 40 14.147 34.271 0.211 1.00 0.00 N ATOM 621 CA GLN A 40 13.925 34.803 1.570 1.00 0.00 C ATOM 622 C GLN A 40 12.583 35.465 1.763 1.00 0.00 C ATOM 623 O GLN A 40 12.216 35.711 2.922 1.00 0.00 O ATOM 624 CB GLN A 40 14.928 35.880 1.810 1.00 0.00 C ATOM 625 CG GLN A 40 16.434 35.385 1.783 1.00 0.00 C ATOM 626 CD GLN A 40 16.817 34.048 2.471 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.135 33.062 1.762 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.149 34.056 3.758 1.00 0.00 N ATOM 0 H GLN A 40 14.458 34.966 -0.467 1.00 0.00 H new ATOM 0 HA GLN A 40 13.996 33.949 2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.799 36.656 1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.726 36.340 2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.733 35.311 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.042 36.169 2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.897 34.851 4.345 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.656 33.267 4.159 1.00 0.00 H new ATOM 637 N GLN A 41 11.818 35.601 0.722 1.00 0.00 N ATOM 638 CA GLN A 41 10.523 36.278 0.802 1.00 0.00 C ATOM 639 C GLN A 41 9.534 35.200 1.263 1.00 0.00 C ATOM 640 O GLN A 41 9.488 34.147 0.700 1.00 0.00 O ATOM 641 CB GLN A 41 10.119 36.737 -0.593 1.00 0.00 C ATOM 642 CG GLN A 41 11.067 37.837 -1.182 1.00 0.00 C ATOM 643 CD GLN A 41 10.625 38.161 -2.615 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.452 38.023 -2.916 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.492 38.595 -3.490 1.00 0.00 N ATOM 0 H GLN A 41 12.055 35.255 -0.208 1.00 0.00 H new ATOM 0 HA GLN A 41 10.548 37.139 1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.111 35.877 -1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.101 37.124 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.031 38.735 -0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.099 37.487 -1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.471 38.706 -3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.190 38.823 -4.437 1.00 0.00 H new ATOM 654 N ARG A 42 8.790 35.522 2.307 1.00 0.00 N ATOM 655 CA ARG A 42 7.443 34.903 2.595 1.00 0.00 C ATOM 656 C ARG A 42 6.357 35.988 2.707 1.00 0.00 C ATOM 657 O ARG A 42 6.564 36.943 3.410 1.00 0.00 O ATOM 658 CB ARG A 42 7.429 34.078 3.898 1.00 0.00 C ATOM 659 CG ARG A 42 8.253 32.795 3.765 1.00 0.00 C ATOM 660 CD ARG A 42 7.762 31.824 2.644 1.00 0.00 C ATOM 661 NE ARG A 42 8.640 30.637 2.720 1.00 0.00 N ATOM 662 CZ ARG A 42 9.836 30.488 2.135 1.00 0.00 C ATOM 663 NH1 ARG A 42 10.359 31.303 1.217 1.00 0.00 N ATOM 664 NH2 ARG A 42 10.346 29.287 2.179 1.00 0.00 N ATOM 0 H ARG A 42 9.074 36.217 2.998 1.00 0.00 H new ATOM 0 HA ARG A 42 7.239 34.235 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.825 34.681 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.401 33.825 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.291 33.063 3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.237 32.267 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.719 31.548 2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.827 32.295 1.663 1.00 0.00 H new ATOM 0 HE ARG A 42 8.300 29.851 3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.837 32.122 0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.281 31.107 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.836 28.533 2.639 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.254 29.103 1.753 1.00 0.00 H new ATOM 678 N LEU A 43 5.225 35.860 1.954 1.00 0.00 N ATOM 679 CA LEU A 43 4.083 36.771 2.050 1.00 0.00 C ATOM 680 C LEU A 43 3.153 36.235 3.116 1.00 0.00 C ATOM 681 O LEU A 43 3.111 35.032 3.250 1.00 0.00 O ATOM 682 CB LEU A 43 3.419 36.866 0.622 1.00 0.00 C ATOM 683 CG LEU A 43 4.303 37.620 -0.406 1.00 0.00 C ATOM 684 CD1 LEU A 43 3.588 37.559 -1.810 1.00 0.00 C ATOM 685 CD2 LEU A 43 4.641 39.092 0.082 1.00 0.00 C ATOM 0 H LEU A 43 5.096 35.116 1.268 1.00 0.00 H new ATOM 0 HA LEU A 43 4.365 37.782 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.218 35.860 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.457 37.372 0.707 1.00 0.00 H new ATOM 0 HG LEU A 43 5.275 37.137 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.193 38.084 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.467 36.519 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.609 38.032 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.262 39.589 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.716 39.652 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.178 39.047 1.029 1.00 0.00 H new ATOM 697 N ILE A 44 2.516 37.181 3.889 1.00 0.00 N ATOM 698 CA ILE A 44 1.615 36.846 5.028 1.00 0.00 C ATOM 699 C ILE A 44 0.269 37.611 4.753 1.00 0.00 C ATOM 700 O ILE A 44 0.313 38.774 4.483 1.00 0.00 O ATOM 701 CB ILE A 44 2.174 37.206 6.461 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.712 37.016 6.618 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.401 36.440 7.573 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.163 35.555 6.505 1.00 0.00 C ATOM 0 H ILE A 44 2.618 38.184 3.734 1.00 0.00 H new ATOM 0 HA ILE A 44 1.497 35.763 5.065 1.00 0.00 H new ATOM 0 HB ILE A 44 2.000 38.276 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.222 37.605 5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.022 37.410 7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.807 36.707 8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.345 36.709 7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.508 35.367 7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.245 35.498 6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.681 34.964 7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.885 35.163 5.527 1.00 0.00 H new ATOM 716 N PHE A 45 -0.828 36.861 4.715 1.00 0.00 N ATOM 717 CA PHE A 45 -2.183 37.330 4.276 1.00 0.00 C ATOM 718 C PHE A 45 -3.124 37.178 5.450 1.00 0.00 C ATOM 719 O PHE A 45 -3.619 36.126 5.788 1.00 0.00 O ATOM 720 CB PHE A 45 -2.625 36.595 2.963 1.00 0.00 C ATOM 721 CG PHE A 45 -3.987 37.012 2.381 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.699 36.016 1.623 1.00 0.00 C ATOM 723 CD2 PHE A 45 -4.624 38.177 2.681 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.958 36.316 1.030 1.00 0.00 C ATOM 725 CE2 PHE A 45 -5.851 38.487 2.070 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.539 37.491 1.285 1.00 0.00 C ATOM 0 H PHE A 45 -0.823 35.879 4.992 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.182 38.384 3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.862 36.761 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.650 35.523 3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.273 35.031 1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.186 38.864 3.390 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.439 35.600 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.279 39.471 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.528 37.697 0.902 1.00 0.00 H new ATOM 736 N ALA A 46 -3.299 38.288 6.185 1.00 0.00 N ATOM 737 CA ALA A 46 -3.872 38.271 7.538 1.00 0.00 C ATOM 738 C ALA A 46 -3.477 37.112 8.479 1.00 0.00 C ATOM 739 O ALA A 46 -4.305 36.643 9.275 1.00 0.00 O ATOM 740 CB ALA A 46 -5.397 38.464 7.582 1.00 0.00 C ATOM 0 H ALA A 46 -3.047 39.221 5.857 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.375 39.152 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.737 38.438 8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.655 39.426 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.881 37.665 7.021 1.00 0.00 H new ATOM 746 N GLY A 47 -2.181 36.743 8.503 1.00 0.00 N ATOM 747 CA GLY A 47 -1.718 35.645 9.355 1.00 0.00 C ATOM 748 C GLY A 47 -1.442 34.403 8.549 1.00 0.00 C ATOM 749 O GLY A 47 -0.728 33.550 9.059 1.00 0.00 O ATOM 0 H GLY A 47 -1.449 37.186 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.813 35.948 9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.470 35.429 10.113 1.00 0.00 H new ATOM 753 N LYS A 48 -2.032 34.265 7.342 1.00 0.00 N ATOM 754 CA LYS A 48 -1.811 33.082 6.550 1.00 0.00 C ATOM 755 C LYS A 48 -0.596 33.222 5.682 1.00 0.00 C ATOM 756 O LYS A 48 -0.516 34.141 4.869 1.00 0.00 O ATOM 757 CB LYS A 48 -2.959 32.836 5.539 1.00 0.00 C ATOM 758 CG LYS A 48 -4.290 32.507 6.294 1.00 0.00 C ATOM 759 CD LYS A 48 -5.450 32.194 5.305 1.00 0.00 C ATOM 760 CE LYS A 48 -6.877 32.314 5.910 1.00 0.00 C ATOM 761 NZ LYS A 48 -7.298 33.744 6.403 1.00 0.00 N ATOM 0 H LYS A 48 -2.651 34.957 6.919 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.721 32.275 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.097 33.718 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.697 32.012 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.133 31.653 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.568 33.350 6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.374 32.870 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.318 31.182 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.597 31.983 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.953 31.625 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.264 33.709 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.643 34.062 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.267 34.410 5.605 1.00 0.00 H new ATOM 775 N GLN A 49 0.349 32.335 5.878 1.00 0.00 N ATOM 776 CA GLN A 49 1.539 32.415 4.997 1.00 0.00 C ATOM 777 C GLN A 49 1.320 31.767 3.638 1.00 0.00 C ATOM 778 O GLN A 49 0.860 30.626 3.653 1.00 0.00 O ATOM 779 CB GLN A 49 2.739 31.965 5.773 1.00 0.00 C ATOM 780 CG GLN A 49 3.970 31.904 4.900 1.00 0.00 C ATOM 781 CD GLN A 49 5.234 31.591 5.725 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.839 32.490 6.393 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.567 30.311 5.956 1.00 0.00 N ATOM 0 H GLN A 49 0.347 31.593 6.578 1.00 0.00 H new ATOM 0 HA GLN A 49 1.732 33.448 4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.914 32.649 6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.548 30.982 6.204 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.836 31.140 4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.098 32.855 4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.104 29.563 5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.283 30.087 6.647 1.00 0.00 H new ATOM 792 N LEU A 50 1.609 32.484 2.526 1.00 0.00 N ATOM 793 CA LEU A 50 1.304 31.886 1.180 1.00 0.00 C ATOM 794 C LEU A 50 2.336 30.812 0.805 1.00 0.00 C ATOM 795 O LEU A 50 3.367 30.709 1.431 1.00 0.00 O ATOM 796 CB LEU A 50 1.135 32.953 0.108 1.00 0.00 C ATOM 797 CG LEU A 50 0.005 33.921 0.426 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.134 34.790 -0.829 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.373 33.292 0.749 1.00 0.00 C ATOM 0 H LEU A 50 2.025 33.415 2.514 1.00 0.00 H new ATOM 0 HA LEU A 50 0.340 31.382 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.067 33.509 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.940 32.473 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 50 0.270 34.452 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.932 35.518 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.804 35.313 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.373 34.158 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.094 34.082 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.714 32.706 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.282 32.644 1.621 1.00 0.00 H new ATOM 811 N GLU A 51 2.019 29.931 -0.193 1.00 0.00 N ATOM 812 CA GLU A 51 2.997 28.978 -0.798 1.00 0.00 C ATOM 813 C GLU A 51 3.178 29.484 -2.246 1.00 0.00 C ATOM 814 O GLU A 51 2.238 30.056 -2.746 1.00 0.00 O ATOM 815 CB GLU A 51 2.500 27.472 -0.532 1.00 0.00 C ATOM 816 CG GLU A 51 2.400 27.200 1.021 1.00 0.00 C ATOM 817 CD GLU A 51 1.605 25.881 1.239 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.488 26.004 1.758 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.070 24.792 0.918 1.00 0.00 O ATOM 0 H GLU A 51 1.085 29.864 -0.596 1.00 0.00 H new ATOM 0 HA GLU A 51 3.997 28.944 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.529 27.313 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.193 26.766 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.396 27.119 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.901 28.031 1.520 1.00 0.00 H new ATOM 826 N ASP A 52 4.418 29.386 -2.785 1.00 0.00 N ATOM 827 CA ASP A 52 4.869 30.010 -4.032 1.00 0.00 C ATOM 828 C ASP A 52 4.080 29.621 -5.286 1.00 0.00 C ATOM 829 O ASP A 52 3.758 30.489 -6.076 1.00 0.00 O ATOM 830 CB ASP A 52 6.363 29.600 -4.369 1.00 0.00 C ATOM 831 CG ASP A 52 7.360 30.087 -3.359 1.00 0.00 C ATOM 832 OD1 ASP A 52 8.409 29.417 -3.249 1.00 0.00 O ATOM 833 OD2 ASP A 52 7.112 31.117 -2.721 1.00 0.00 O ATOM 0 H ASP A 52 5.156 28.844 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 52 4.734 31.072 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.427 28.514 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.628 29.996 -5.349 1.00 0.00 H new ATOM 838 N GLY A 53 3.679 28.361 -5.502 1.00 0.00 N ATOM 839 CA GLY A 53 3.221 27.963 -6.854 1.00 0.00 C ATOM 840 C GLY A 53 1.709 28.179 -7.123 1.00 0.00 C ATOM 841 O GLY A 53 1.235 27.893 -8.223 1.00 0.00 O ATOM 0 H GLY A 53 3.659 27.624 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.790 28.525 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.455 26.909 -7.005 1.00 0.00 H new ATOM 845 N ARG A 54 0.902 28.616 -6.107 1.00 0.00 N ATOM 846 CA ARG A 54 -0.594 28.775 -6.249 1.00 0.00 C ATOM 847 C ARG A 54 -0.915 30.118 -6.886 1.00 0.00 C ATOM 848 O ARG A 54 -0.079 31.020 -6.884 1.00 0.00 O ATOM 849 CB ARG A 54 -1.393 28.517 -4.921 1.00 0.00 C ATOM 850 CG ARG A 54 -1.200 27.054 -4.415 1.00 0.00 C ATOM 851 CD ARG A 54 -1.982 26.037 -5.289 1.00 0.00 C ATOM 852 NE ARG A 54 -1.949 24.784 -4.490 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.352 23.640 -4.936 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.027 23.404 -6.054 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.374 22.552 -4.150 1.00 0.00 N ATOM 0 H ARG A 54 1.254 28.865 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.941 27.987 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.061 29.216 -4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.453 28.708 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.139 26.802 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.536 26.979 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.004 26.369 -5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.512 25.903 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.588 24.830 -3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.283 24.177 -6.668 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.290 22.449 -6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.069 22.618 -3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.696 21.659 -4.524 1.00 0.00 H new ATOM 869 N THR A 55 -2.132 30.290 -7.505 1.00 0.00 N ATOM 870 CA THR A 55 -2.515 31.581 -8.089 1.00 0.00 C ATOM 871 C THR A 55 -3.258 32.457 -7.078 1.00 0.00 C ATOM 872 O THR A 55 -3.828 32.014 -6.086 1.00 0.00 O ATOM 873 CB THR A 55 -3.430 31.419 -9.370 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.760 30.988 -9.020 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.779 30.468 -10.373 1.00 0.00 C ATOM 0 H THR A 55 -2.834 29.556 -7.600 1.00 0.00 H new ATOM 0 HA THR A 55 -1.579 32.058 -8.379 1.00 0.00 H new ATOM 0 HB THR A 55 -3.527 32.397 -9.842 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.746 30.035 -8.792 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.421 30.367 -11.248 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.811 30.866 -10.677 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.640 29.491 -9.911 1.00 0.00 H new ATOM 883 N LEU A 56 -3.177 33.761 -7.262 1.00 0.00 N ATOM 884 CA LEU A 56 -3.964 34.690 -6.390 1.00 0.00 C ATOM 885 C LEU A 56 -5.488 34.284 -6.393 1.00 0.00 C ATOM 886 O LEU A 56 -6.158 34.350 -5.366 1.00 0.00 O ATOM 887 CB LEU A 56 -3.880 36.122 -6.940 1.00 0.00 C ATOM 888 CG LEU A 56 -2.465 36.780 -6.999 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.388 37.579 -8.338 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.268 37.732 -5.760 1.00 0.00 C ATOM 0 H LEU A 56 -2.604 34.214 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.551 34.632 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.295 36.122 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.523 36.757 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.675 36.030 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.412 38.057 -8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.531 36.898 -9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.167 38.341 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.279 38.189 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.029 38.512 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.359 37.155 -4.840 1.00 0.00 H new ATOM 902 N SER A 57 -6.043 33.809 -7.525 1.00 0.00 N ATOM 903 CA SER A 57 -7.439 33.287 -7.547 1.00 0.00 C ATOM 904 C SER A 57 -7.659 32.073 -6.560 1.00 0.00 C ATOM 905 O SER A 57 -8.759 31.979 -5.976 1.00 0.00 O ATOM 906 CB SER A 57 -7.851 32.894 -9.002 1.00 0.00 C ATOM 907 OG SER A 57 -9.223 32.333 -9.036 1.00 0.00 O ATOM 0 H SER A 57 -5.563 33.772 -8.424 1.00 0.00 H new ATOM 0 HA SER A 57 -8.082 34.094 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.797 33.771 -9.648 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.146 32.163 -9.398 1.00 0.00 H new ATOM 0 HG SER A 57 -9.457 32.097 -9.958 1.00 0.00 H new ATOM 913 N ASP A 58 -6.606 31.213 -6.275 1.00 0.00 N ATOM 914 CA ASP A 58 -6.777 30.015 -5.417 1.00 0.00 C ATOM 915 C ASP A 58 -6.910 30.395 -3.954 1.00 0.00 C ATOM 916 O ASP A 58 -7.524 29.664 -3.170 1.00 0.00 O ATOM 917 CB ASP A 58 -5.579 29.016 -5.580 1.00 0.00 C ATOM 918 CG ASP A 58 -5.488 28.622 -7.062 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.485 28.162 -7.600 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.403 28.703 -7.645 1.00 0.00 O ATOM 0 H ASP A 58 -5.658 31.342 -6.629 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.695 29.527 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.649 29.479 -5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.732 28.133 -4.960 1.00 0.00 H new ATOM 925 N TYR A 59 -6.438 31.591 -3.609 1.00 0.00 N ATOM 926 CA TYR A 59 -6.584 32.198 -2.253 1.00 0.00 C ATOM 927 C TYR A 59 -7.698 33.206 -2.160 1.00 0.00 C ATOM 928 O TYR A 59 -7.873 33.737 -1.067 1.00 0.00 O ATOM 929 CB TYR A 59 -5.320 32.990 -1.831 1.00 0.00 C ATOM 930 CG TYR A 59 -4.139 32.077 -1.736 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.187 32.076 -2.718 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.010 31.176 -0.634 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.008 31.297 -2.597 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.873 30.385 -0.531 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.862 30.396 -1.515 1.00 0.00 C ATOM 936 OH TYR A 59 -0.761 29.555 -1.327 1.00 0.00 O ATOM 0 H TYR A 59 -5.932 32.189 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.777 31.336 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.120 33.780 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.491 33.475 -0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.336 32.679 -3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.789 31.111 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.221 31.391 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.759 29.742 0.329 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.888 29.028 -0.511 1.00 0.00 H new ATOM 946 N ASN A 60 -8.438 33.459 -3.275 1.00 0.00 N ATOM 947 CA ASN A 60 -9.282 34.626 -3.515 1.00 0.00 C ATOM 948 C ASN A 60 -8.724 35.985 -3.043 1.00 0.00 C ATOM 949 O ASN A 60 -9.326 36.804 -2.307 1.00 0.00 O ATOM 950 CB ASN A 60 -10.764 34.524 -3.061 1.00 0.00 C ATOM 951 CG ASN A 60 -11.411 33.273 -3.602 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.399 33.132 -4.831 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.937 32.403 -2.775 1.00 0.00 N ATOM 0 H ASN A 60 -8.451 32.810 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.261 34.603 -4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.815 34.522 -1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.314 35.400 -3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.368 31.552 -3.136 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.915 32.577 -1.770 1.00 0.00 H new ATOM 960 N ILE A 61 -7.489 36.215 -3.436 1.00 0.00 N ATOM 961 CA ILE A 61 -6.895 37.559 -3.350 1.00 0.00 C ATOM 962 C ILE A 61 -7.430 38.387 -4.502 1.00 0.00 C ATOM 963 O ILE A 61 -7.405 38.002 -5.687 1.00 0.00 O ATOM 964 CB ILE A 61 -5.341 37.539 -3.446 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.872 36.692 -2.187 1.00 0.00 C ATOM 966 CG2 ILE A 61 -4.811 39.021 -3.413 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.357 36.312 -2.166 1.00 0.00 C ATOM 0 H ILE A 61 -6.869 35.501 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.161 37.978 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.957 37.097 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.101 37.257 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.460 35.775 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.723 39.020 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.226 39.575 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.117 39.496 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.139 35.736 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.119 35.715 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.754 37.220 -2.170 1.00 0.00 H new ATOM 979 N GLN A 62 -8.032 39.459 -4.059 1.00 0.00 N ATOM 980 CA GLN A 62 -8.790 40.416 -4.861 1.00 0.00 C ATOM 981 C GLN A 62 -8.127 41.818 -4.957 1.00 0.00 C ATOM 982 O GLN A 62 -7.207 42.126 -4.220 1.00 0.00 O ATOM 983 CB GLN A 62 -10.184 40.565 -4.173 1.00 0.00 C ATOM 984 CG GLN A 62 -11.106 39.307 -4.084 1.00 0.00 C ATOM 985 CD GLN A 62 -11.372 38.753 -5.480 1.00 0.00 C ATOM 986 OE1 GLN A 62 -11.182 37.527 -5.735 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.634 39.562 -6.479 1.00 0.00 N ATOM 0 H GLN A 62 -8.012 39.713 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.848 40.039 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.017 40.927 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.734 41.343 -4.702 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.634 38.544 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.048 39.570 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.791 40.554 -6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.680 39.199 -7.431 1.00 0.00 H new ATOM 996 N LYS A 63 -8.650 42.691 -5.860 1.00 0.00 N ATOM 997 CA LYS A 63 -8.078 44.016 -6.039 1.00 0.00 C ATOM 998 C LYS A 63 -8.028 44.869 -4.758 1.00 0.00 C ATOM 999 O LYS A 63 -9.008 44.902 -4.032 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.718 44.799 -7.181 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.240 45.236 -6.881 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.547 46.672 -6.415 1.00 0.00 C ATOM 1003 CE LYS A 63 -10.366 47.798 -7.427 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.010 49.080 -6.934 1.00 0.00 N ATOM 0 H LYS A 63 -9.452 42.489 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.043 43.809 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.124 45.691 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.693 44.193 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.814 45.060 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.629 44.558 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.579 46.698 -6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.913 46.889 -5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.304 47.965 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.807 47.509 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.718 49.871 -7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.045 48.983 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.709 49.266 -5.956 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.911 45.590 -4.696 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.518 46.627 -3.700 1.00 0.00 C ATOM 1020 C GLU A 64 -6.238 46.032 -2.286 1.00 0.00 C ATOM 1021 O GLU A 64 -6.170 46.714 -1.292 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.554 47.782 -3.684 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.407 48.654 -4.986 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.334 49.835 -4.740 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -7.736 50.881 -4.594 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.584 49.698 -4.748 1.00 0.00 O ATOM 0 H GLU A 64 -6.181 45.465 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.564 47.049 -4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.563 47.375 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.405 48.404 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.377 48.978 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.698 48.096 -5.876 1.00 0.00 H new ATOM 1033 N SER A 65 -6.066 44.722 -2.219 1.00 0.00 N ATOM 1034 CA SER A 65 -5.737 44.003 -0.941 1.00 0.00 C ATOM 1035 C SER A 65 -4.275 44.232 -0.494 1.00 0.00 C ATOM 1036 O SER A 65 -3.432 44.636 -1.280 1.00 0.00 O ATOM 1037 CB SER A 65 -5.990 42.458 -1.174 1.00 0.00 C ATOM 1038 OG SER A 65 -6.059 41.700 0.043 1.00 0.00 O ATOM 0 H SER A 65 -6.144 44.106 -3.028 1.00 0.00 H new ATOM 0 HA SER A 65 -6.373 44.395 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.921 42.329 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.191 42.057 -1.798 1.00 0.00 H new ATOM 0 HG SER A 65 -6.218 40.756 -0.168 1.00 0.00 H new ATOM 1044 N THR A 66 -4.046 43.965 0.810 1.00 0.00 N ATOM 1045 CA THR A 66 -2.846 44.376 1.585 1.00 0.00 C ATOM 1046 C THR A 66 -2.210 43.131 2.187 1.00 0.00 C ATOM 1047 O THR A 66 -2.768 42.469 3.068 1.00 0.00 O ATOM 1048 CB THR A 66 -3.251 45.416 2.673 1.00 0.00 C ATOM 1049 OG1 THR A 66 -4.033 46.430 2.082 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.978 45.997 3.317 1.00 0.00 C ATOM 0 H THR A 66 -4.712 43.439 1.375 1.00 0.00 H new ATOM 0 HA THR A 66 -2.113 44.858 0.939 1.00 0.00 H new ATOM 0 HB THR A 66 -3.844 44.938 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.290 47.084 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.256 46.725 4.079 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.403 45.193 3.776 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.373 46.485 2.552 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.976 42.801 1.673 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.137 41.660 2.149 1.00 0.00 C ATOM 1060 C LEU A 67 1.122 42.214 2.871 1.00 0.00 C ATOM 1061 O LEU A 67 1.700 43.285 2.545 1.00 0.00 O ATOM 1062 CB LEU A 67 0.362 40.688 1.050 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.752 40.343 0.031 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -0.083 39.411 -0.983 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -1.994 39.659 0.682 1.00 0.00 C ATOM 0 H LEU A 67 -0.541 43.326 0.914 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.798 41.089 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.206 41.136 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.725 39.771 1.515 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.149 41.251 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.808 39.119 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.751 39.928 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.285 38.521 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.736 39.444 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.688 38.729 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.427 40.325 1.428 1.00 0.00 H new ATOM 1077 N HIS A 68 1.636 41.464 3.861 1.00 0.00 N ATOM 1078 CA HIS A 68 2.878 41.876 4.556 1.00 0.00 C ATOM 1079 C HIS A 68 3.931 40.920 4.142 1.00 0.00 C ATOM 1080 O HIS A 68 3.748 39.708 4.142 1.00 0.00 O ATOM 1081 CB HIS A 68 2.713 41.770 6.093 1.00 0.00 C ATOM 1082 CG HIS A 68 1.689 42.787 6.506 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.346 42.676 6.238 1.00 0.00 N ATOM 1084 CD2 HIS A 68 1.773 43.938 7.244 1.00 0.00 C ATOM 1085 CE1 HIS A 68 -0.295 43.740 6.773 1.00 0.00 C ATOM 1086 NE2 HIS A 68 0.540 44.513 7.410 1.00 0.00 N ATOM 0 H HIS A 68 1.227 40.591 4.195 1.00 0.00 H new ATOM 0 HA HIS A 68 3.121 42.908 4.303 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.394 40.767 6.376 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.663 41.956 6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.692 44.340 7.643 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.355 43.925 6.685 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.321 45.366 7.924 1.00 0.00 H new ATOM 1094 N LEU A 69 5.082 41.490 3.881 1.00 0.00 N ATOM 1095 CA LEU A 69 6.238 40.714 3.482 1.00 0.00 C ATOM 1096 C LEU A 69 7.072 40.413 4.712 1.00 0.00 C ATOM 1097 O LEU A 69 7.662 41.325 5.278 1.00 0.00 O ATOM 1098 CB LEU A 69 7.051 41.545 2.435 1.00 0.00 C ATOM 1099 CG LEU A 69 8.384 40.972 1.831 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.327 39.492 1.348 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.792 41.863 0.645 1.00 0.00 C ATOM 0 H LEU A 69 5.247 42.495 3.937 1.00 0.00 H new ATOM 0 HA LEU A 69 5.942 39.768 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.382 41.755 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.292 42.502 2.899 1.00 0.00 H new ATOM 0 HG LEU A 69 9.108 40.979 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.299 39.201 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.070 38.845 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.572 39.393 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.716 41.486 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.003 41.851 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.946 42.884 0.993 1.00 0.00 H new ATOM 1113 N VAL A 70 7.093 39.142 5.146 1.00 0.00 N ATOM 1114 CA VAL A 70 7.948 38.705 6.256 1.00 0.00 C ATOM 1115 C VAL A 70 9.118 37.972 5.608 1.00 0.00 C ATOM 1116 O VAL A 70 8.953 37.294 4.603 1.00 0.00 O ATOM 1117 CB VAL A 70 7.112 37.865 7.228 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.969 36.780 8.072 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.326 38.854 8.137 1.00 0.00 C ATOM 0 H VAL A 70 6.524 38.398 4.741 1.00 0.00 H new ATOM 0 HA VAL A 70 8.349 39.517 6.863 1.00 0.00 H new ATOM 0 HB VAL A 70 6.422 37.243 6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.304 36.228 8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.455 36.086 7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.726 37.295 8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.717 38.292 8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.029 39.484 8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.681 39.480 7.521 1.00 0.00 H new ATOM 1129 N LEU A 71 10.314 38.165 6.183 1.00 0.00 N ATOM 1130 CA LEU A 71 11.569 37.792 5.525 1.00 0.00 C ATOM 1131 C LEU A 71 12.294 36.707 6.326 1.00 0.00 C ATOM 1132 O LEU A 71 12.636 36.878 7.510 1.00 0.00 O ATOM 1133 CB LEU A 71 12.516 39.064 5.397 1.00 0.00 C ATOM 1134 CG LEU A 71 11.823 40.098 4.502 1.00 0.00 C ATOM 1135 CD1 LEU A 71 12.632 41.389 4.409 1.00 0.00 C ATOM 1136 CD2 LEU A 71 11.514 39.666 3.024 1.00 0.00 C ATOM 0 H LEU A 71 10.436 38.580 7.107 1.00 0.00 H new ATOM 0 HA LEU A 71 11.333 37.408 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.716 39.488 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.478 38.779 4.971 1.00 0.00 H new ATOM 0 HG LEU A 71 10.867 40.224 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.111 42.099 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.749 41.818 5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.615 41.173 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.024 40.487 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.445 39.415 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.858 38.796 3.029 1.00 0.00 H new ATOM 1148 N ARG A 72 12.658 35.605 5.666 1.00 0.00 N ATOM 1149 CA ARG A 72 13.384 34.521 6.338 1.00 0.00 C ATOM 1150 C ARG A 72 14.773 34.939 6.905 1.00 0.00 C ATOM 1151 O ARG A 72 15.673 35.465 6.254 1.00 0.00 O ATOM 1152 CB ARG A 72 13.523 33.311 5.378 1.00 0.00 C ATOM 1153 CG ARG A 72 12.164 32.701 4.796 1.00 0.00 C ATOM 1154 CD ARG A 72 11.145 32.166 5.809 1.00 0.00 C ATOM 1155 NE ARG A 72 11.910 31.342 6.784 1.00 0.00 N ATOM 1156 CZ ARG A 72 11.443 31.196 8.025 1.00 0.00 C ATOM 1157 NH1 ARG A 72 10.258 31.649 8.399 1.00 0.00 N ATOM 1158 NH2 ARG A 72 12.090 30.509 8.937 1.00 0.00 N ATOM 0 H ARG A 72 12.465 35.439 4.678 1.00 0.00 H new ATOM 0 HA ARG A 72 12.789 34.244 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.149 33.612 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.055 32.518 5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.675 33.472 4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.422 31.889 4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.632 32.985 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.381 31.569 5.312 1.00 0.00 H new ATOM 0 HE ARG A 72 12.783 30.893 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.662 32.132 7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.941 31.515 9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.979 30.066 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.703 30.418 9.876 1.00 0.00 H new ATOM 1172 N LEU A 73 14.929 34.490 8.143 1.00 0.00 N ATOM 1173 CA LEU A 73 16.226 34.265 8.765 1.00 0.00 C ATOM 1174 C LEU A 73 16.851 32.869 8.469 1.00 0.00 C ATOM 1175 O LEU A 73 16.233 31.854 8.488 1.00 0.00 O ATOM 1176 CB LEU A 73 16.042 34.452 10.316 1.00 0.00 C ATOM 1177 CG LEU A 73 15.818 35.964 10.772 1.00 0.00 C ATOM 1178 CD1 LEU A 73 15.632 36.043 12.320 1.00 0.00 C ATOM 1179 CD2 LEU A 73 16.964 36.926 10.370 1.00 0.00 C ATOM 0 H LEU A 73 14.143 34.268 8.754 1.00 0.00 H new ATOM 0 HA LEU A 73 16.926 34.984 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.190 33.856 10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.922 34.058 10.825 1.00 0.00 H new ATOM 0 HG LEU A 73 14.921 36.290 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.480 37.081 12.616 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.764 35.452 12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.521 35.651 12.814 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.733 37.933 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.897 36.591 10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.070 36.932 9.285 1.00 0.00 H new ATOM 1191 N ARG A 74 18.164 32.866 8.117 1.00 0.00 N ATOM 1192 CA ARG A 74 19.009 31.648 7.946 1.00 0.00 C ATOM 1193 C ARG A 74 18.962 30.604 9.076 1.00 0.00 C ATOM 1194 O ARG A 74 19.034 30.964 10.262 1.00 0.00 O ATOM 1195 CB ARG A 74 20.520 32.071 7.771 1.00 0.00 C ATOM 1196 CG ARG A 74 20.812 32.605 6.350 1.00 0.00 C ATOM 1197 CD ARG A 74 22.383 32.757 6.021 1.00 0.00 C ATOM 1198 NE ARG A 74 22.529 32.718 4.528 1.00 0.00 N ATOM 1199 CZ ARG A 74 23.687 32.960 3.876 1.00 0.00 C ATOM 1200 NH1 ARG A 74 24.856 32.975 4.403 1.00 0.00 N ATOM 1201 NH2 ARG A 74 23.639 32.924 2.580 1.00 0.00 N ATOM 0 H ARG A 74 18.678 33.729 7.940 1.00 0.00 H new ATOM 0 HA ARG A 74 18.580 31.165 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 74 20.769 32.838 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 74 21.162 31.214 7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 74 20.361 31.933 5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.330 33.575 6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.771 33.694 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 74 22.953 31.952 6.485 1.00 0.00 H new ATOM 0 HE ARG A 74 21.704 32.495 3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 74 24.968 32.793 5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 74 25.674 33.169 3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.758 32.721 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 74 24.482 33.099 2.033 1.00 0.00 H new ATOM 1215 N GLY A 75 18.893 29.279 8.657 1.00 0.00 N ATOM 1216 CA GLY A 75 19.031 28.117 9.575 1.00 0.00 C ATOM 1217 C GLY A 75 20.396 27.970 10.203 1.00 0.00 C ATOM 1218 O GLY A 75 21.225 28.779 9.929 1.00 0.00 O ATOM 0 H GLY A 75 18.742 29.012 7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.289 28.207 10.368 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.799 27.206 9.024 1.00 0.00 H new ATOM 1222 N GLY A 76 20.570 26.993 11.141 1.00 0.00 N ATOM 1223 CA GLY A 76 21.782 26.939 11.874 1.00 0.00 C ATOM 1224 C GLY A 76 22.550 25.676 11.587 1.00 0.00 C ATOM 1225 O GLY A 76 23.254 25.724 10.604 1.00 0.00 O ATOM 1226 OXT GLY A 76 22.405 24.724 12.345 1.00 0.00 O ATOM 0 H GLY A 76 19.885 26.273 11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 76 22.397 27.804 11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 76 21.565 26.999 12.941 1.00 0.00 H new TER 1230 GLY A 76