USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 790 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 90 ASN : amide:sc= 2.1 K(o=3.3,f=-1.5) USER MOD Set 1.2: A 96 HIS : no HD1:sc= 1.17 K(o=3.3,f=-5.3!) USER MOD Set 2.1: A 72 GLN : amide:sc= -1.29 K(o=-1.5,f=-6.8!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 157:sc= -0.226 (180deg=-0.834) USER MOD Set 3.1: A 18 ASN : amide:sc= -0.0405 X(o=-1.3,f=-0.85) USER MOD Set 3.2: A 21 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.53) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0562 (180deg=-0.196) USER MOD Single : A 3 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.044) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0.898 (180deg=0.898) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -146:sc= -0.501 (180deg=-4.51!) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 13 GLN : amide:sc= -0.603 K(o=-0.6,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -68:sc= 1.06 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -176:sc=-0.00122 (180deg=-0.0262) USER MOD Single : A 43 ASN : amide:sc= 0.0954 K(o=0.095,f=-1.9) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0625) USER MOD Single : A 52 GLN : amide:sc= -2.48 X(o=-2.5,f=-2.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 57 ASN : amide:sc= 1.29 K(o=1.3,f=-1.3!) USER MOD Single : A 58 TYR OH : rot -15:sc= -0.126 USER MOD Single : A 59 GLN : amide:sc= -0.0876 X(o=-0.088,f=-0.04) USER MOD Single : A 60 SER OG : rot 75:sc= 0.427 USER MOD Single : A 65 ASN : amide:sc= -0.361 K(o=-0.36,f=-2.8!) USER MOD Single : A 68 SER OG : rot -88:sc= 1.18 USER MOD Single : A 76 MET CE :methyl -163:sc= -0.558 (180deg=-1.49) USER MOD Single : A 78 MET CE :methyl -157:sc= -0.322 (180deg=-0.847) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0495 X(o=-0.05,f=-0.34) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0458) USER MOD Single : A 88 MET CE :methyl -160:sc= -0.0398 (180deg=-0.477) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.56 K(o=-0.56,f=-2.7) USER MOD Single : A 94 HIS : no HE2:sc= 1.01 K(o=1,f=-3.1!) USER MOD Single : A 95 HIS : no HD1:sc= -1.58! C(o=-1.6!,f=-3.6!) USER MOD Single : A 97 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.8!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.253 12.727 15.987 1.00 70.34 N ATOM 2 CA MET A 1 -2.151 12.896 15.004 1.00 3.31 C ATOM 3 C MET A 1 -2.329 11.944 13.819 1.00 41.24 C ATOM 4 O MET A 1 -1.360 11.580 13.148 1.00 11.41 O ATOM 5 CB MET A 1 -0.789 12.652 15.673 1.00 0.24 C ATOM 6 CG MET A 1 -0.576 11.222 16.144 1.00 40.22 C ATOM 7 SD MET A 1 1.077 10.953 16.816 1.00 62.43 S ATOM 8 CE MET A 1 1.026 9.191 17.130 1.00 23.20 C ATOM 0 H1 MET A 1 -3.005 13.211 16.873 1.00 70.34 H new ATOM 0 H2 MET A 1 -4.128 13.137 15.602 1.00 70.34 H new ATOM 0 H3 MET A 1 -3.399 11.714 16.174 1.00 70.34 H new ATOM 0 HA MET A 1 -2.184 13.921 14.635 1.00 3.31 H new ATOM 0 HB2 MET A 1 0.001 12.913 14.969 1.00 0.24 H new ATOM 0 HB3 MET A 1 -0.690 13.323 16.526 1.00 0.24 H new ATOM 0 HG2 MET A 1 -1.318 10.980 16.905 1.00 40.22 H new ATOM 0 HG3 MET A 1 -0.741 10.540 15.310 1.00 40.22 H new ATOM 0 HE1 MET A 1 1.979 8.868 17.549 1.00 23.20 H new ATOM 0 HE2 MET A 1 0.226 8.970 17.836 1.00 23.20 H new ATOM 0 HE3 MET A 1 0.842 8.660 16.196 1.00 23.20 H new ATOM 20 N ASP A 2 -3.572 11.558 13.548 1.00 65.04 N ATOM 21 CA ASP A 2 -3.862 10.600 12.484 1.00 32.51 C ATOM 22 C ASP A 2 -3.825 11.269 11.116 1.00 73.33 C ATOM 23 O ASP A 2 -4.866 11.583 10.537 1.00 70.44 O ATOM 24 CB ASP A 2 -5.227 9.933 12.688 1.00 52.32 C ATOM 25 CG ASP A 2 -5.285 9.067 13.928 1.00 53.10 C ATOM 26 OD1 ASP A 2 -4.941 7.874 13.841 1.00 32.22 O ATOM 27 OD2 ASP A 2 -5.684 9.581 14.999 1.00 43.42 O ATOM 0 H ASP A 2 -4.395 11.893 14.049 1.00 65.04 H new ATOM 0 HA ASP A 2 -3.087 9.834 12.526 1.00 32.51 H new ATOM 0 HB2 ASP A 2 -5.995 10.704 12.754 1.00 52.32 H new ATOM 0 HB3 ASP A 2 -5.461 9.324 11.815 1.00 52.32 H new ATOM 32 N GLN A 3 -2.618 11.500 10.614 1.00 3.23 N ATOM 33 CA GLN A 3 -2.432 12.021 9.264 1.00 30.23 C ATOM 34 C GLN A 3 -2.954 11.011 8.246 1.00 61.35 C ATOM 35 O GLN A 3 -3.370 11.365 7.142 1.00 52.22 O ATOM 36 CB GLN A 3 -0.948 12.315 9.018 1.00 44.02 C ATOM 37 CG GLN A 3 -0.643 12.830 7.622 1.00 73.21 C ATOM 38 CD GLN A 3 0.817 13.177 7.440 1.00 52.25 C ATOM 39 OE1 GLN A 3 1.234 14.307 7.679 1.00 44.34 O ATOM 40 NE2 GLN A 3 1.607 12.206 7.017 1.00 32.22 N ATOM 0 H GLN A 3 -1.750 11.334 11.123 1.00 3.23 H new ATOM 0 HA GLN A 3 -2.992 12.950 9.154 1.00 30.23 H new ATOM 0 HB2 GLN A 3 -0.608 13.050 9.748 1.00 44.02 H new ATOM 0 HB3 GLN A 3 -0.374 11.405 9.192 1.00 44.02 H new ATOM 0 HG2 GLN A 3 -0.928 12.075 6.889 1.00 73.21 H new ATOM 0 HG3 GLN A 3 -1.251 13.713 7.423 1.00 73.21 H new ATOM 0 HE21 GLN A 3 1.222 11.280 6.829 1.00 32.22 H new ATOM 0 HE22 GLN A 3 2.602 12.382 6.878 1.00 32.22 H new ATOM 49 N LEU A 4 -2.935 9.745 8.651 1.00 30.43 N ATOM 50 CA LEU A 4 -3.439 8.643 7.843 1.00 63.42 C ATOM 51 C LEU A 4 -4.886 8.874 7.417 1.00 23.04 C ATOM 52 O LEU A 4 -5.287 8.450 6.338 1.00 4.04 O ATOM 53 CB LEU A 4 -3.330 7.338 8.632 1.00 13.41 C ATOM 54 CG LEU A 4 -1.912 6.962 9.062 1.00 63.24 C ATOM 55 CD1 LEU A 4 -1.943 5.831 10.075 1.00 42.23 C ATOM 56 CD2 LEU A 4 -1.076 6.568 7.852 1.00 31.14 C ATOM 0 H LEU A 4 -2.566 9.454 9.556 1.00 30.43 H new ATOM 0 HA LEU A 4 -2.833 8.581 6.939 1.00 63.42 H new ATOM 0 HB2 LEU A 4 -3.955 7.415 9.521 1.00 13.41 H new ATOM 0 HB3 LEU A 4 -3.737 6.529 8.026 1.00 13.41 H new ATOM 0 HG LEU A 4 -1.454 7.832 9.532 1.00 63.24 H new ATOM 0 HD11 LEU A 4 -0.924 5.578 10.369 1.00 42.23 H new ATOM 0 HD12 LEU A 4 -2.507 6.145 10.954 1.00 42.23 H new ATOM 0 HD13 LEU A 4 -2.420 4.958 9.631 1.00 42.23 H new ATOM 0 HD21 LEU A 4 -0.069 6.303 8.176 1.00 31.14 H new ATOM 0 HD22 LEU A 4 -1.534 5.712 7.356 1.00 31.14 H new ATOM 0 HD23 LEU A 4 -1.025 7.406 7.157 1.00 31.14 H new ATOM 68 N LYS A 5 -5.659 9.556 8.263 1.00 60.43 N ATOM 69 CA LYS A 5 -7.055 9.846 7.966 1.00 61.44 C ATOM 70 C LYS A 5 -7.185 10.584 6.637 1.00 64.31 C ATOM 71 O LYS A 5 -7.956 10.181 5.766 1.00 20.24 O ATOM 72 CB LYS A 5 -7.675 10.684 9.082 1.00 62.13 C ATOM 73 CG LYS A 5 -9.074 11.171 8.760 1.00 12.54 C ATOM 74 CD LYS A 5 -9.601 12.100 9.833 1.00 24.31 C ATOM 75 CE LYS A 5 -10.921 12.719 9.420 1.00 23.35 C ATOM 76 NZ LYS A 5 -10.769 13.626 8.251 1.00 42.00 N ATOM 0 H LYS A 5 -5.337 9.917 9.161 1.00 60.43 H new ATOM 0 HA LYS A 5 -7.587 8.897 7.894 1.00 61.44 H new ATOM 0 HB2 LYS A 5 -7.705 10.092 9.997 1.00 62.13 H new ATOM 0 HB3 LYS A 5 -7.035 11.544 9.280 1.00 62.13 H new ATOM 0 HG2 LYS A 5 -9.068 11.688 7.801 1.00 12.54 H new ATOM 0 HG3 LYS A 5 -9.743 10.316 8.657 1.00 12.54 H new ATOM 0 HD2 LYS A 5 -9.730 11.548 10.764 1.00 24.31 H new ATOM 0 HD3 LYS A 5 -8.872 12.887 10.027 1.00 24.31 H new ATOM 0 HE2 LYS A 5 -11.631 11.929 9.176 1.00 23.35 H new ATOM 0 HE3 LYS A 5 -11.339 13.276 10.259 1.00 23.35 H new ATOM 0 HZ1 LYS A 5 -11.695 14.028 8.001 1.00 42.00 H new ATOM 0 HZ2 LYS A 5 -10.111 14.395 8.491 1.00 42.00 H new ATOM 0 HZ3 LYS A 5 -10.395 13.090 7.442 1.00 42.00 H new ATOM 90 N THR A 6 -6.418 11.658 6.500 1.00 75.53 N ATOM 91 CA THR A 6 -6.387 12.441 5.273 1.00 14.44 C ATOM 92 C THR A 6 -6.004 11.562 4.086 1.00 11.32 C ATOM 93 O THR A 6 -6.589 11.661 3.004 1.00 74.35 O ATOM 94 CB THR A 6 -5.380 13.604 5.402 1.00 74.43 C ATOM 95 OG1 THR A 6 -5.785 14.491 6.456 1.00 53.40 O ATOM 96 CG2 THR A 6 -5.257 14.373 4.096 1.00 13.34 C ATOM 0 H THR A 6 -5.802 12.009 7.234 1.00 75.53 H new ATOM 0 HA THR A 6 -7.384 12.849 5.105 1.00 14.44 H new ATOM 0 HB THR A 6 -4.404 13.181 5.640 1.00 74.43 H new ATOM 0 HG1 THR A 6 -5.140 15.225 6.532 1.00 53.40 H new ATOM 0 HG21 THR A 6 -4.541 15.186 4.218 1.00 13.34 H new ATOM 0 HG22 THR A 6 -4.913 13.701 3.309 1.00 13.34 H new ATOM 0 HG23 THR A 6 -6.229 14.784 3.823 1.00 13.34 H new ATOM 104 N ILE A 7 -5.037 10.685 4.309 1.00 24.51 N ATOM 105 CA ILE A 7 -4.540 9.802 3.268 1.00 63.40 C ATOM 106 C ILE A 7 -5.633 8.849 2.785 1.00 52.20 C ATOM 107 O ILE A 7 -5.801 8.655 1.581 1.00 61.12 O ATOM 108 CB ILE A 7 -3.323 9.003 3.768 1.00 23.41 C ATOM 109 CG1 ILE A 7 -2.236 9.975 4.239 1.00 51.45 C ATOM 110 CG2 ILE A 7 -2.798 8.087 2.671 1.00 60.32 C ATOM 111 CD1 ILE A 7 -1.085 9.315 4.961 1.00 64.23 C ATOM 0 H ILE A 7 -4.578 10.566 5.212 1.00 24.51 H new ATOM 0 HA ILE A 7 -4.231 10.422 2.427 1.00 63.40 H new ATOM 0 HB ILE A 7 -3.623 8.375 4.607 1.00 23.41 H new ATOM 0 HG12 ILE A 7 -1.847 10.514 3.375 1.00 51.45 H new ATOM 0 HG13 ILE A 7 -2.688 10.715 4.899 1.00 51.45 H new ATOM 0 HG21 ILE A 7 -1.938 7.530 3.043 1.00 60.32 H new ATOM 0 HG22 ILE A 7 -3.581 7.389 2.374 1.00 60.32 H new ATOM 0 HG23 ILE A 7 -2.499 8.685 1.810 1.00 60.32 H new ATOM 0 HD11 ILE A 7 -0.361 10.073 5.260 1.00 64.23 H new ATOM 0 HD12 ILE A 7 -1.458 8.800 5.846 1.00 64.23 H new ATOM 0 HD13 ILE A 7 -0.604 8.595 4.298 1.00 64.23 H new ATOM 123 N LYS A 8 -6.380 8.270 3.725 1.00 2.24 N ATOM 124 CA LYS A 8 -7.522 7.422 3.380 1.00 54.41 C ATOM 125 C LYS A 8 -8.479 8.173 2.464 1.00 32.32 C ATOM 126 O LYS A 8 -8.892 7.662 1.421 1.00 33.34 O ATOM 127 CB LYS A 8 -8.289 6.973 4.631 1.00 40.04 C ATOM 128 CG LYS A 8 -7.854 5.632 5.214 1.00 21.42 C ATOM 129 CD LYS A 8 -6.539 5.722 5.966 1.00 41.03 C ATOM 130 CE LYS A 8 -6.481 4.719 7.111 1.00 25.00 C ATOM 131 NZ LYS A 8 -6.562 3.306 6.646 1.00 14.42 N ATOM 0 H LYS A 8 -6.216 8.372 4.727 1.00 2.24 H new ATOM 0 HA LYS A 8 -7.129 6.541 2.872 1.00 54.41 H new ATOM 0 HB2 LYS A 8 -8.178 7.738 5.399 1.00 40.04 H new ATOM 0 HB3 LYS A 8 -9.350 6.918 4.387 1.00 40.04 H new ATOM 0 HG2 LYS A 8 -8.629 5.264 5.887 1.00 21.42 H new ATOM 0 HG3 LYS A 8 -7.759 4.904 4.409 1.00 21.42 H new ATOM 0 HD2 LYS A 8 -5.713 5.540 5.279 1.00 41.03 H new ATOM 0 HD3 LYS A 8 -6.411 6.731 6.358 1.00 41.03 H new ATOM 0 HE2 LYS A 8 -5.554 4.861 7.666 1.00 25.00 H new ATOM 0 HE3 LYS A 8 -7.300 4.916 7.803 1.00 25.00 H new ATOM 0 HZ1 LYS A 8 -7.075 2.738 7.350 1.00 14.42 H new ATOM 0 HZ2 LYS A 8 -7.066 3.268 5.737 1.00 14.42 H new ATOM 0 HZ3 LYS A 8 -5.602 2.924 6.526 1.00 14.42 H new ATOM 145 N GLU A 9 -8.802 9.401 2.852 1.00 75.03 N ATOM 146 CA GLU A 9 -9.748 10.224 2.111 1.00 43.25 C ATOM 147 C GLU A 9 -9.225 10.526 0.710 1.00 42.52 C ATOM 148 O GLU A 9 -9.981 10.506 -0.258 1.00 22.54 O ATOM 149 CB GLU A 9 -10.026 11.519 2.879 1.00 5.32 C ATOM 150 CG GLU A 9 -10.565 11.269 4.278 1.00 23.21 C ATOM 151 CD GLU A 9 -10.836 12.538 5.053 1.00 20.30 C ATOM 152 OE1 GLU A 9 -11.958 13.071 4.956 1.00 71.33 O ATOM 153 OE2 GLU A 9 -9.936 12.997 5.789 1.00 22.14 O ATOM 0 H GLU A 9 -8.418 9.851 3.683 1.00 75.03 H new ATOM 0 HA GLU A 9 -10.682 9.672 2.005 1.00 43.25 H new ATOM 0 HB2 GLU A 9 -9.106 12.100 2.947 1.00 5.32 H new ATOM 0 HB3 GLU A 9 -10.743 12.121 2.320 1.00 5.32 H new ATOM 0 HG2 GLU A 9 -11.487 10.692 4.206 1.00 23.21 H new ATOM 0 HG3 GLU A 9 -9.850 10.660 4.831 1.00 23.21 H new ATOM 160 N LEU A 10 -7.930 10.795 0.607 1.00 33.51 N ATOM 161 CA LEU A 10 -7.305 11.068 -0.680 1.00 72.34 C ATOM 162 C LEU A 10 -7.393 9.852 -1.597 1.00 21.24 C ATOM 163 O LEU A 10 -7.695 9.979 -2.785 1.00 43.10 O ATOM 164 CB LEU A 10 -5.845 11.470 -0.482 1.00 42.52 C ATOM 165 CG LEU A 10 -5.638 12.772 0.287 1.00 31.21 C ATOM 166 CD1 LEU A 10 -4.162 12.993 0.571 1.00 2.22 C ATOM 167 CD2 LEU A 10 -6.211 13.943 -0.496 1.00 74.34 C ATOM 0 H LEU A 10 -7.291 10.830 1.401 1.00 33.51 H new ATOM 0 HA LEU A 10 -7.841 11.892 -1.151 1.00 72.34 H new ATOM 0 HB2 LEU A 10 -5.330 10.667 0.046 1.00 42.52 H new ATOM 0 HB3 LEU A 10 -5.373 11.563 -1.460 1.00 42.52 H new ATOM 0 HG LEU A 10 -6.164 12.701 1.239 1.00 31.21 H new ATOM 0 HD11 LEU A 10 -4.033 13.926 1.120 1.00 2.22 H new ATOM 0 HD12 LEU A 10 -3.778 12.165 1.167 1.00 2.22 H new ATOM 0 HD13 LEU A 10 -3.615 13.047 -0.370 1.00 2.22 H new ATOM 0 HD21 LEU A 10 -6.057 14.865 0.064 1.00 74.34 H new ATOM 0 HD22 LEU A 10 -5.709 14.016 -1.461 1.00 74.34 H new ATOM 0 HD23 LEU A 10 -7.278 13.788 -0.653 1.00 74.34 H new ATOM 179 N ILE A 11 -7.142 8.675 -1.032 1.00 32.02 N ATOM 180 CA ILE A 11 -7.218 7.426 -1.785 1.00 33.22 C ATOM 181 C ILE A 11 -8.647 7.159 -2.246 1.00 45.04 C ATOM 182 O ILE A 11 -8.871 6.738 -3.381 1.00 11.10 O ATOM 183 CB ILE A 11 -6.707 6.232 -0.945 1.00 73.22 C ATOM 184 CG1 ILE A 11 -5.242 6.448 -0.564 1.00 65.24 C ATOM 185 CG2 ILE A 11 -6.871 4.925 -1.709 1.00 15.24 C ATOM 186 CD1 ILE A 11 -4.725 5.458 0.459 1.00 2.34 C ATOM 0 H ILE A 11 -6.883 8.559 -0.052 1.00 32.02 H new ATOM 0 HA ILE A 11 -6.577 7.532 -2.660 1.00 33.22 H new ATOM 0 HB ILE A 11 -7.302 6.169 -0.034 1.00 73.22 H new ATOM 0 HG12 ILE A 11 -4.629 6.381 -1.463 1.00 65.24 H new ATOM 0 HG13 ILE A 11 -5.123 7.458 -0.171 1.00 65.24 H new ATOM 0 HG21 ILE A 11 -6.505 4.099 -1.099 1.00 15.24 H new ATOM 0 HG22 ILE A 11 -7.925 4.768 -1.939 1.00 15.24 H new ATOM 0 HG23 ILE A 11 -6.301 4.972 -2.637 1.00 15.24 H new ATOM 0 HD11 ILE A 11 -3.680 5.675 0.679 1.00 2.34 H new ATOM 0 HD12 ILE A 11 -5.313 5.539 1.373 1.00 2.34 H new ATOM 0 HD13 ILE A 11 -4.810 4.446 0.062 1.00 2.34 H new ATOM 198 N ASN A 12 -9.610 7.420 -1.367 1.00 62.04 N ATOM 199 CA ASN A 12 -11.026 7.231 -1.688 1.00 43.41 C ATOM 200 C ASN A 12 -11.453 8.133 -2.841 1.00 15.54 C ATOM 201 O ASN A 12 -12.196 7.715 -3.733 1.00 73.55 O ATOM 202 CB ASN A 12 -11.905 7.522 -0.466 1.00 75.21 C ATOM 203 CG ASN A 12 -11.759 6.485 0.631 1.00 62.42 C ATOM 204 OD1 ASN A 12 -11.498 5.312 0.366 1.00 0.24 O ATOM 205 ND2 ASN A 12 -11.936 6.908 1.872 1.00 32.22 N ATOM 0 H ASN A 12 -9.437 7.764 -0.423 1.00 62.04 H new ATOM 0 HA ASN A 12 -11.156 6.190 -1.985 1.00 43.41 H new ATOM 0 HB2 ASN A 12 -11.649 8.503 -0.067 1.00 75.21 H new ATOM 0 HB3 ASN A 12 -12.948 7.567 -0.779 1.00 75.21 H new ATOM 0 HD21 ASN A 12 -11.857 6.253 2.650 1.00 32.22 H new ATOM 0 HD22 ASN A 12 -12.151 7.889 2.051 1.00 32.22 H new ATOM 212 N GLN A 13 -10.977 9.372 -2.815 1.00 73.33 N ATOM 213 CA GLN A 13 -11.322 10.356 -3.835 1.00 4.21 C ATOM 214 C GLN A 13 -10.660 10.022 -5.166 1.00 50.54 C ATOM 215 O GLN A 13 -11.322 9.948 -6.202 1.00 72.12 O ATOM 216 CB GLN A 13 -10.900 11.756 -3.380 1.00 4.40 C ATOM 217 CG GLN A 13 -11.634 12.241 -2.141 1.00 5.23 C ATOM 218 CD GLN A 13 -11.057 13.527 -1.585 1.00 21.51 C ATOM 219 OE1 GLN A 13 -11.465 14.624 -1.964 1.00 62.21 O ATOM 220 NE2 GLN A 13 -10.108 13.395 -0.672 1.00 75.00 N ATOM 0 H GLN A 13 -10.346 9.721 -2.093 1.00 73.33 H new ATOM 0 HA GLN A 13 -12.403 10.333 -3.975 1.00 4.21 H new ATOM 0 HB2 GLN A 13 -9.828 11.756 -3.180 1.00 4.40 H new ATOM 0 HB3 GLN A 13 -11.073 12.461 -4.193 1.00 4.40 H new ATOM 0 HG2 GLN A 13 -12.686 12.394 -2.384 1.00 5.23 H new ATOM 0 HG3 GLN A 13 -11.593 11.468 -1.374 1.00 5.23 H new ATOM 0 HE21 GLN A 13 -9.800 12.465 -0.387 1.00 75.00 H new ATOM 0 HE22 GLN A 13 -9.685 14.223 -0.253 1.00 75.00 H new ATOM 229 N GLY A 14 -9.356 9.804 -5.129 1.00 64.20 N ATOM 230 CA GLY A 14 -8.616 9.565 -6.348 1.00 13.42 C ATOM 231 C GLY A 14 -7.294 10.304 -6.354 1.00 1.15 C ATOM 232 O GLY A 14 -6.494 10.162 -7.279 1.00 44.55 O ATOM 0 H GLY A 14 -8.797 9.788 -4.276 1.00 64.20 H new ATOM 0 HA2 GLY A 14 -8.436 8.496 -6.461 1.00 13.42 H new ATOM 0 HA3 GLY A 14 -9.213 9.880 -7.204 1.00 13.42 H new ATOM 236 N ASP A 15 -7.059 11.092 -5.309 1.00 52.04 N ATOM 237 CA ASP A 15 -5.813 11.842 -5.168 1.00 12.45 C ATOM 238 C ASP A 15 -4.723 10.955 -4.579 1.00 13.33 C ATOM 239 O ASP A 15 -4.104 11.296 -3.568 1.00 5.13 O ATOM 240 CB ASP A 15 -6.009 13.076 -4.282 1.00 72.33 C ATOM 241 CG ASP A 15 -6.844 14.151 -4.944 1.00 20.31 C ATOM 242 OD1 ASP A 15 -8.086 14.095 -4.834 1.00 1.25 O ATOM 243 OD2 ASP A 15 -6.261 15.070 -5.559 1.00 75.22 O ATOM 0 H ASP A 15 -7.719 11.229 -4.543 1.00 52.04 H new ATOM 0 HA ASP A 15 -5.510 12.173 -6.161 1.00 12.45 H new ATOM 0 HB2 ASP A 15 -6.487 12.775 -3.349 1.00 72.33 H new ATOM 0 HB3 ASP A 15 -5.034 13.489 -4.022 1.00 72.33 H new ATOM 248 N ILE A 16 -4.490 9.819 -5.227 1.00 44.14 N ATOM 249 CA ILE A 16 -3.473 8.867 -4.794 1.00 45.44 C ATOM 250 C ILE A 16 -2.107 9.541 -4.705 1.00 34.14 C ATOM 251 O ILE A 16 -1.341 9.293 -3.782 1.00 62.04 O ATOM 252 CB ILE A 16 -3.410 7.647 -5.751 1.00 74.35 C ATOM 253 CG1 ILE A 16 -4.490 6.617 -5.397 1.00 2.22 C ATOM 254 CG2 ILE A 16 -2.037 6.991 -5.722 1.00 1.23 C ATOM 255 CD1 ILE A 16 -5.908 7.126 -5.513 1.00 33.31 C ATOM 0 H ILE A 16 -4.998 9.533 -6.064 1.00 44.14 H new ATOM 0 HA ILE A 16 -3.750 8.510 -3.802 1.00 45.44 H new ATOM 0 HB ILE A 16 -3.593 8.016 -6.760 1.00 74.35 H new ATOM 0 HG12 ILE A 16 -4.375 5.751 -6.048 1.00 2.22 H new ATOM 0 HG13 ILE A 16 -4.324 6.273 -4.376 1.00 2.22 H new ATOM 0 HG21 ILE A 16 -2.026 6.140 -6.403 1.00 1.23 H new ATOM 0 HG22 ILE A 16 -1.282 7.713 -6.032 1.00 1.23 H new ATOM 0 HG23 ILE A 16 -1.818 6.649 -4.710 1.00 1.23 H new ATOM 0 HD11 ILE A 16 -6.603 6.331 -5.244 1.00 33.31 H new ATOM 0 HD12 ILE A 16 -6.047 7.972 -4.840 1.00 33.31 H new ATOM 0 HD13 ILE A 16 -6.098 7.443 -6.539 1.00 33.31 H new ATOM 267 N GLU A 17 -1.831 10.417 -5.658 1.00 64.04 N ATOM 268 CA GLU A 17 -0.592 11.183 -5.684 1.00 22.23 C ATOM 269 C GLU A 17 -0.377 11.964 -4.384 1.00 33.34 C ATOM 270 O GLU A 17 0.731 11.994 -3.840 1.00 23.35 O ATOM 271 CB GLU A 17 -0.631 12.136 -6.872 1.00 63.32 C ATOM 272 CG GLU A 17 -2.010 12.728 -7.107 1.00 13.31 C ATOM 273 CD GLU A 17 -2.060 13.638 -8.311 1.00 44.21 C ATOM 274 OE1 GLU A 17 -1.955 13.132 -9.449 1.00 25.43 O ATOM 275 OE2 GLU A 17 -2.215 14.861 -8.126 1.00 21.20 O ATOM 0 H GLU A 17 -2.459 10.618 -6.436 1.00 64.04 H new ATOM 0 HA GLU A 17 0.244 10.490 -5.783 1.00 22.23 H new ATOM 0 HB2 GLU A 17 0.083 12.943 -6.708 1.00 63.32 H new ATOM 0 HB3 GLU A 17 -0.311 11.605 -7.769 1.00 63.32 H new ATOM 0 HG2 GLU A 17 -2.730 11.920 -7.238 1.00 13.31 H new ATOM 0 HG3 GLU A 17 -2.316 13.287 -6.222 1.00 13.31 H new ATOM 282 N ASN A 18 -1.438 12.590 -3.892 1.00 12.24 N ATOM 283 CA ASN A 18 -1.371 13.345 -2.644 1.00 62.23 C ATOM 284 C ASN A 18 -1.292 12.400 -1.455 1.00 65.51 C ATOM 285 O ASN A 18 -0.660 12.704 -0.446 1.00 34.42 O ATOM 286 CB ASN A 18 -2.576 14.281 -2.506 1.00 20.14 C ATOM 287 CG ASN A 18 -2.526 15.437 -3.487 1.00 23.33 C ATOM 288 OD1 ASN A 18 -1.452 15.889 -3.877 1.00 40.33 O ATOM 289 ND2 ASN A 18 -3.688 15.923 -3.896 1.00 5.24 N ATOM 0 H ASN A 18 -2.356 12.591 -4.337 1.00 12.24 H new ATOM 0 HA ASN A 18 -0.468 13.955 -2.664 1.00 62.23 H new ATOM 0 HB2 ASN A 18 -3.493 13.714 -2.664 1.00 20.14 H new ATOM 0 HB3 ASN A 18 -2.614 14.672 -1.489 1.00 20.14 H new ATOM 0 HD21 ASN A 18 -3.712 16.699 -4.557 1.00 5.24 H new ATOM 0 HD22 ASN A 18 -4.559 15.521 -3.550 1.00 5.24 H new ATOM 296 N ALA A 19 -1.927 11.245 -1.587 1.00 3.43 N ATOM 297 CA ALA A 19 -1.847 10.215 -0.563 1.00 72.41 C ATOM 298 C ALA A 19 -0.417 9.701 -0.444 1.00 52.23 C ATOM 299 O ALA A 19 0.139 9.643 0.647 1.00 73.31 O ATOM 300 CB ALA A 19 -2.800 9.073 -0.884 1.00 51.51 C ATOM 0 H ALA A 19 -2.503 10.998 -2.392 1.00 3.43 H new ATOM 0 HA ALA A 19 -2.140 10.649 0.393 1.00 72.41 H new ATOM 0 HB1 ALA A 19 -2.728 8.310 -0.108 1.00 51.51 H new ATOM 0 HB2 ALA A 19 -3.821 9.452 -0.927 1.00 51.51 H new ATOM 0 HB3 ALA A 19 -2.534 8.637 -1.847 1.00 51.51 H new ATOM 306 N LEU A 20 0.174 9.363 -1.588 1.00 11.43 N ATOM 307 CA LEU A 20 1.527 8.812 -1.643 1.00 74.23 C ATOM 308 C LEU A 20 2.543 9.723 -0.966 1.00 74.42 C ATOM 309 O LEU A 20 3.348 9.263 -0.159 1.00 3.34 O ATOM 310 CB LEU A 20 1.947 8.567 -3.098 1.00 11.11 C ATOM 311 CG LEU A 20 1.155 7.487 -3.835 1.00 4.31 C ATOM 312 CD1 LEU A 20 1.647 7.356 -5.268 1.00 3.35 C ATOM 313 CD2 LEU A 20 1.266 6.154 -3.109 1.00 42.11 C ATOM 0 H LEU A 20 -0.270 9.463 -2.501 1.00 11.43 H new ATOM 0 HA LEU A 20 1.509 7.866 -1.102 1.00 74.23 H new ATOM 0 HB2 LEU A 20 1.852 9.503 -3.648 1.00 11.11 H new ATOM 0 HB3 LEU A 20 3.002 8.294 -3.113 1.00 11.11 H new ATOM 0 HG LEU A 20 0.105 7.780 -3.854 1.00 4.31 H new ATOM 0 HD11 LEU A 20 1.074 6.583 -5.780 1.00 3.35 H new ATOM 0 HD12 LEU A 20 1.518 8.307 -5.785 1.00 3.35 H new ATOM 0 HD13 LEU A 20 2.703 7.084 -5.267 1.00 3.35 H new ATOM 0 HD21 LEU A 20 0.696 5.397 -3.648 1.00 42.11 H new ATOM 0 HD22 LEU A 20 2.312 5.853 -3.059 1.00 42.11 H new ATOM 0 HD23 LEU A 20 0.869 6.256 -2.099 1.00 42.11 H new ATOM 325 N GLN A 21 2.501 11.011 -1.284 1.00 41.53 N ATOM 326 CA GLN A 21 3.456 11.958 -0.715 1.00 31.41 C ATOM 327 C GLN A 21 3.271 12.075 0.798 1.00 23.04 C ATOM 328 O GLN A 21 4.244 12.149 1.548 1.00 75.33 O ATOM 329 CB GLN A 21 3.334 13.332 -1.384 1.00 23.04 C ATOM 330 CG GLN A 21 1.969 13.976 -1.230 1.00 21.43 C ATOM 331 CD GLN A 21 1.855 15.291 -1.969 1.00 42.15 C ATOM 332 OE1 GLN A 21 2.140 16.352 -1.422 1.00 51.31 O ATOM 333 NE2 GLN A 21 1.432 15.228 -3.220 1.00 33.03 N ATOM 0 H GLN A 21 1.824 11.422 -1.926 1.00 41.53 H new ATOM 0 HA GLN A 21 4.459 11.577 -0.907 1.00 31.41 H new ATOM 0 HB2 GLN A 21 4.088 13.998 -0.963 1.00 23.04 H new ATOM 0 HB3 GLN A 21 3.558 13.229 -2.446 1.00 23.04 H new ATOM 0 HG2 GLN A 21 1.205 13.291 -1.597 1.00 21.43 H new ATOM 0 HG3 GLN A 21 1.767 14.140 -0.172 1.00 21.43 H new ATOM 0 HE21 GLN A 21 1.206 14.325 -3.637 1.00 33.03 H new ATOM 0 HE22 GLN A 21 1.332 16.082 -3.768 1.00 33.03 H new ATOM 342 N ALA A 22 2.019 12.069 1.246 1.00 11.05 N ATOM 343 CA ALA A 22 1.722 12.128 2.670 1.00 33.22 C ATOM 344 C ALA A 22 2.126 10.825 3.356 1.00 51.34 C ATOM 345 O ALA A 22 2.497 10.812 4.528 1.00 1.42 O ATOM 346 CB ALA A 22 0.245 12.417 2.892 1.00 54.23 C ATOM 0 H ALA A 22 1.197 12.024 0.644 1.00 11.05 H new ATOM 0 HA ALA A 22 2.301 12.939 3.111 1.00 33.22 H new ATOM 0 HB1 ALA A 22 0.039 12.458 3.962 1.00 54.23 H new ATOM 0 HB2 ALA A 22 -0.011 13.373 2.436 1.00 54.23 H new ATOM 0 HB3 ALA A 22 -0.353 11.627 2.437 1.00 54.23 H new ATOM 352 N LEU A 23 2.062 9.732 2.610 1.00 34.21 N ATOM 353 CA LEU A 23 2.463 8.430 3.116 1.00 21.24 C ATOM 354 C LEU A 23 3.969 8.369 3.314 1.00 70.35 C ATOM 355 O LEU A 23 4.442 7.943 4.366 1.00 43.35 O ATOM 356 CB LEU A 23 1.999 7.334 2.158 1.00 71.54 C ATOM 357 CG LEU A 23 0.496 7.068 2.186 1.00 65.31 C ATOM 358 CD1 LEU A 23 0.055 6.299 0.951 1.00 72.34 C ATOM 359 CD2 LEU A 23 0.128 6.307 3.448 1.00 21.50 C ATOM 0 H LEU A 23 1.733 9.723 1.644 1.00 34.21 H new ATOM 0 HA LEU A 23 1.991 8.271 4.086 1.00 21.24 H new ATOM 0 HB2 LEU A 23 2.288 7.608 1.144 1.00 71.54 H new ATOM 0 HB3 LEU A 23 2.524 6.410 2.400 1.00 71.54 H new ATOM 0 HG LEU A 23 -0.024 8.026 2.186 1.00 65.31 H new ATOM 0 HD11 LEU A 23 -1.020 6.123 0.997 1.00 72.34 H new ATOM 0 HD12 LEU A 23 0.290 6.878 0.058 1.00 72.34 H new ATOM 0 HD13 LEU A 23 0.578 5.343 0.911 1.00 72.34 H new ATOM 0 HD21 LEU A 23 -0.946 6.121 3.461 1.00 21.50 H new ATOM 0 HD22 LEU A 23 0.661 5.356 3.468 1.00 21.50 H new ATOM 0 HD23 LEU A 23 0.404 6.897 4.322 1.00 21.50 H new ATOM 371 N GLU A 24 4.718 8.821 2.311 1.00 75.52 N ATOM 372 CA GLU A 24 6.174 8.875 2.404 1.00 32.42 C ATOM 373 C GLU A 24 6.603 9.779 3.555 1.00 3.32 C ATOM 374 O GLU A 24 7.650 9.573 4.172 1.00 72.31 O ATOM 375 CB GLU A 24 6.780 9.376 1.094 1.00 71.52 C ATOM 376 CG GLU A 24 6.489 8.476 -0.095 1.00 12.11 C ATOM 377 CD GLU A 24 7.211 8.921 -1.351 1.00 61.32 C ATOM 378 OE1 GLU A 24 8.411 8.612 -1.489 1.00 24.12 O ATOM 379 OE2 GLU A 24 6.581 9.579 -2.206 1.00 14.25 O ATOM 0 H GLU A 24 4.340 9.155 1.424 1.00 75.52 H new ATOM 0 HA GLU A 24 6.539 7.866 2.594 1.00 32.42 H new ATOM 0 HB2 GLU A 24 6.397 10.375 0.885 1.00 71.52 H new ATOM 0 HB3 GLU A 24 7.860 9.467 1.214 1.00 71.52 H new ATOM 0 HG2 GLU A 24 6.783 7.454 0.146 1.00 12.11 H new ATOM 0 HG3 GLU A 24 5.415 8.463 -0.282 1.00 12.11 H new ATOM 386 N GLU A 25 5.778 10.779 3.829 1.00 41.32 N ATOM 387 CA GLU A 25 5.986 11.683 4.949 1.00 5.44 C ATOM 388 C GLU A 25 5.721 10.961 6.271 1.00 22.23 C ATOM 389 O GLU A 25 6.536 11.009 7.193 1.00 74.13 O ATOM 390 CB GLU A 25 5.056 12.893 4.802 1.00 50.40 C ATOM 391 CG GLU A 25 5.049 13.835 5.995 1.00 64.54 C ATOM 392 CD GLU A 25 6.358 14.570 6.183 1.00 61.12 C ATOM 393 OE1 GLU A 25 6.678 15.451 5.355 1.00 24.43 O ATOM 394 OE2 GLU A 25 7.062 14.291 7.174 1.00 2.21 O ATOM 0 H GLU A 25 4.944 10.986 3.279 1.00 41.32 H new ATOM 0 HA GLU A 25 7.021 12.025 4.951 1.00 5.44 H new ATOM 0 HB2 GLU A 25 5.349 13.454 3.915 1.00 50.40 H new ATOM 0 HB3 GLU A 25 4.040 12.535 4.632 1.00 50.40 H new ATOM 0 HG2 GLU A 25 4.246 14.562 5.871 1.00 64.54 H new ATOM 0 HG3 GLU A 25 4.827 13.266 6.898 1.00 64.54 H new ATOM 401 N PHE A 26 4.588 10.267 6.342 1.00 54.12 N ATOM 402 CA PHE A 26 4.180 9.581 7.564 1.00 13.11 C ATOM 403 C PHE A 26 5.169 8.477 7.936 1.00 42.02 C ATOM 404 O PHE A 26 5.342 8.163 9.113 1.00 74.33 O ATOM 405 CB PHE A 26 2.776 8.992 7.413 1.00 34.02 C ATOM 406 CG PHE A 26 2.198 8.489 8.710 1.00 51.04 C ATOM 407 CD1 PHE A 26 1.504 9.346 9.551 1.00 61.41 C ATOM 408 CD2 PHE A 26 2.355 7.165 9.095 1.00 24.42 C ATOM 409 CE1 PHE A 26 0.980 8.895 10.748 1.00 30.42 C ATOM 410 CE2 PHE A 26 1.835 6.708 10.291 1.00 1.33 C ATOM 411 CZ PHE A 26 1.146 7.574 11.118 1.00 72.12 C ATOM 0 H PHE A 26 3.935 10.165 5.565 1.00 54.12 H new ATOM 0 HA PHE A 26 4.169 10.319 8.366 1.00 13.11 H new ATOM 0 HB2 PHE A 26 2.113 9.752 6.999 1.00 34.02 H new ATOM 0 HB3 PHE A 26 2.809 8.172 6.696 1.00 34.02 H new ATOM 0 HD1 PHE A 26 1.371 10.379 9.267 1.00 61.41 H new ATOM 0 HD2 PHE A 26 2.891 6.483 8.451 1.00 24.42 H new ATOM 0 HE1 PHE A 26 0.442 9.574 11.393 1.00 30.42 H new ATOM 0 HE2 PHE A 26 1.967 5.675 10.579 1.00 1.33 H new ATOM 0 HZ PHE A 26 0.738 7.219 12.053 1.00 72.12 H new ATOM 421 N LEU A 27 5.819 7.899 6.933 1.00 15.45 N ATOM 422 CA LEU A 27 6.800 6.837 7.157 1.00 22.22 C ATOM 423 C LEU A 27 7.904 7.287 8.112 1.00 75.13 C ATOM 424 O LEU A 27 8.496 6.477 8.824 1.00 75.23 O ATOM 425 CB LEU A 27 7.424 6.396 5.829 1.00 11.50 C ATOM 426 CG LEU A 27 6.456 5.782 4.815 1.00 42.32 C ATOM 427 CD1 LEU A 27 7.179 5.456 3.519 1.00 14.43 C ATOM 428 CD2 LEU A 27 5.801 4.533 5.382 1.00 43.21 C ATOM 0 H LEU A 27 5.686 8.147 5.953 1.00 15.45 H new ATOM 0 HA LEU A 27 6.273 5.997 7.610 1.00 22.22 H new ATOM 0 HB2 LEU A 27 7.904 7.260 5.369 1.00 11.50 H new ATOM 0 HB3 LEU A 27 8.209 5.670 6.040 1.00 11.50 H new ATOM 0 HG LEU A 27 5.676 6.513 4.605 1.00 42.32 H new ATOM 0 HD11 LEU A 27 6.475 5.020 2.810 1.00 14.43 H new ATOM 0 HD12 LEU A 27 7.600 6.369 3.098 1.00 14.43 H new ATOM 0 HD13 LEU A 27 7.980 4.745 3.718 1.00 14.43 H new ATOM 0 HD21 LEU A 27 5.117 4.114 4.644 1.00 43.21 H new ATOM 0 HD22 LEU A 27 6.568 3.798 5.625 1.00 43.21 H new ATOM 0 HD23 LEU A 27 5.247 4.791 6.285 1.00 43.21 H new ATOM 440 N GLN A 28 8.168 8.582 8.134 1.00 71.43 N ATOM 441 CA GLN A 28 9.236 9.123 8.956 1.00 61.22 C ATOM 442 C GLN A 28 8.724 9.523 10.336 1.00 72.24 C ATOM 443 O GLN A 28 9.511 9.793 11.240 1.00 13.33 O ATOM 444 CB GLN A 28 9.870 10.327 8.261 1.00 65.03 C ATOM 445 CG GLN A 28 10.334 10.021 6.846 1.00 32.21 C ATOM 446 CD GLN A 28 10.978 11.213 6.174 1.00 31.42 C ATOM 447 OE1 GLN A 28 10.305 12.016 5.526 1.00 34.25 O ATOM 448 NE2 GLN A 28 12.286 11.335 6.313 1.00 14.23 N ATOM 0 H GLN A 28 7.657 9.279 7.592 1.00 71.43 H new ATOM 0 HA GLN A 28 9.989 8.346 9.089 1.00 61.22 H new ATOM 0 HB2 GLN A 28 9.149 11.144 8.232 1.00 65.03 H new ATOM 0 HB3 GLN A 28 10.720 10.673 8.849 1.00 65.03 H new ATOM 0 HG2 GLN A 28 11.045 9.195 6.871 1.00 32.21 H new ATOM 0 HG3 GLN A 28 9.482 9.690 6.252 1.00 32.21 H new ATOM 0 HE21 GLN A 28 12.807 10.648 6.858 1.00 14.23 H new ATOM 0 HE22 GLN A 28 12.775 12.116 5.875 1.00 14.23 H new ATOM 457 N THR A 29 7.406 9.539 10.501 1.00 30.00 N ATOM 458 CA THR A 29 6.808 9.988 11.751 1.00 2.15 C ATOM 459 C THR A 29 6.726 8.844 12.762 1.00 1.30 C ATOM 460 O THR A 29 7.134 8.985 13.914 1.00 73.32 O ATOM 461 CB THR A 29 5.397 10.587 11.522 1.00 12.01 C ATOM 462 OG1 THR A 29 4.470 9.561 11.145 1.00 73.23 O ATOM 463 CG2 THR A 29 5.432 11.646 10.430 1.00 64.32 C ATOM 0 H THR A 29 6.736 9.248 9.789 1.00 30.00 H new ATOM 0 HA THR A 29 7.453 10.769 12.153 1.00 2.15 H new ATOM 0 HB THR A 29 5.075 11.044 12.458 1.00 12.01 H new ATOM 0 HG1 THR A 29 4.702 9.221 10.256 1.00 73.23 H new ATOM 0 HG21 THR A 29 4.431 12.053 10.286 1.00 64.32 H new ATOM 0 HG22 THR A 29 6.111 12.447 10.722 1.00 64.32 H new ATOM 0 HG23 THR A 29 5.779 11.197 9.499 1.00 64.32 H new ATOM 471 N GLU A 30 6.222 7.702 12.308 1.00 65.21 N ATOM 472 CA GLU A 30 6.020 6.543 13.165 1.00 54.13 C ATOM 473 C GLU A 30 6.494 5.275 12.474 1.00 44.32 C ATOM 474 O GLU A 30 5.807 4.740 11.604 1.00 53.01 O ATOM 475 CB GLU A 30 4.540 6.404 13.538 1.00 41.22 C ATOM 476 CG GLU A 30 4.092 7.334 14.652 1.00 30.12 C ATOM 477 CD GLU A 30 4.764 7.009 15.970 1.00 14.21 C ATOM 478 OE1 GLU A 30 4.761 5.828 16.367 1.00 42.31 O ATOM 479 OE2 GLU A 30 5.292 7.932 16.624 1.00 51.44 O ATOM 0 H GLU A 30 5.943 7.555 11.338 1.00 65.21 H new ATOM 0 HA GLU A 30 6.605 6.689 14.073 1.00 54.13 H new ATOM 0 HB2 GLU A 30 3.934 6.596 12.653 1.00 41.22 H new ATOM 0 HB3 GLU A 30 4.347 5.374 13.839 1.00 41.22 H new ATOM 0 HG2 GLU A 30 4.316 8.364 14.376 1.00 30.12 H new ATOM 0 HG3 GLU A 30 3.011 7.263 14.770 1.00 30.12 H new ATOM 486 N PRO A 31 7.685 4.787 12.841 1.00 42.12 N ATOM 487 CA PRO A 31 8.237 3.543 12.297 1.00 10.20 C ATOM 488 C PRO A 31 7.307 2.356 12.511 1.00 2.31 C ATOM 489 O PRO A 31 7.148 1.504 11.636 1.00 2.22 O ATOM 490 CB PRO A 31 9.548 3.349 13.073 1.00 74.45 C ATOM 491 CG PRO A 31 9.454 4.266 14.248 1.00 31.52 C ATOM 492 CD PRO A 31 8.602 5.416 13.799 1.00 31.44 C ATOM 0 HA PRO A 31 8.379 3.603 11.218 1.00 10.20 H new ATOM 0 HB2 PRO A 31 9.666 2.313 13.392 1.00 74.45 H new ATOM 0 HB3 PRO A 31 10.411 3.592 12.453 1.00 74.45 H new ATOM 0 HG2 PRO A 31 9.009 3.760 15.105 1.00 31.52 H new ATOM 0 HG3 PRO A 31 10.442 4.608 14.558 1.00 31.52 H new ATOM 0 HD2 PRO A 31 8.067 5.872 14.632 1.00 31.44 H new ATOM 0 HD3 PRO A 31 9.196 6.202 13.334 1.00 31.44 H new ATOM 500 N VAL A 32 6.672 2.330 13.670 1.00 2.35 N ATOM 501 CA VAL A 32 5.781 1.238 14.035 1.00 72.41 C ATOM 502 C VAL A 32 4.424 1.381 13.335 1.00 13.05 C ATOM 503 O VAL A 32 3.675 0.415 13.205 1.00 70.11 O ATOM 504 CB VAL A 32 5.584 1.175 15.570 1.00 52.32 C ATOM 505 CG1 VAL A 32 4.864 2.415 16.078 1.00 62.23 C ATOM 506 CG2 VAL A 32 4.842 -0.091 15.977 1.00 40.25 C ATOM 0 H VAL A 32 6.757 3.057 14.380 1.00 2.35 H new ATOM 0 HA VAL A 32 6.245 0.308 13.706 1.00 72.41 H new ATOM 0 HB VAL A 32 6.571 1.146 16.032 1.00 52.32 H new ATOM 0 HG11 VAL A 32 4.738 2.346 17.159 1.00 62.23 H new ATOM 0 HG12 VAL A 32 5.451 3.301 15.837 1.00 62.23 H new ATOM 0 HG13 VAL A 32 3.886 2.488 15.603 1.00 62.23 H new ATOM 0 HG21 VAL A 32 4.718 -0.108 17.060 1.00 40.25 H new ATOM 0 HG22 VAL A 32 3.862 -0.108 15.499 1.00 40.25 H new ATOM 0 HG23 VAL A 32 5.414 -0.964 15.663 1.00 40.25 H new ATOM 516 N GLY A 33 4.129 2.585 12.859 1.00 71.32 N ATOM 517 CA GLY A 33 2.855 2.834 12.214 1.00 51.35 C ATOM 518 C GLY A 33 2.968 2.821 10.705 1.00 3.15 C ATOM 519 O GLY A 33 2.007 3.126 9.997 1.00 70.05 O ATOM 0 H GLY A 33 4.750 3.393 12.909 1.00 71.32 H new ATOM 0 HA2 GLY A 33 2.136 2.078 12.530 1.00 51.35 H new ATOM 0 HA3 GLY A 33 2.467 3.799 12.540 1.00 51.35 H new ATOM 523 N LYS A 34 4.148 2.460 10.209 1.00 4.13 N ATOM 524 CA LYS A 34 4.390 2.409 8.772 1.00 20.52 C ATOM 525 C LYS A 34 3.604 1.273 8.129 1.00 63.24 C ATOM 526 O LYS A 34 3.400 1.269 6.919 1.00 21.21 O ATOM 527 CB LYS A 34 5.880 2.250 8.456 1.00 23.22 C ATOM 528 CG LYS A 34 6.744 3.393 8.960 1.00 54.01 C ATOM 529 CD LYS A 34 8.159 3.327 8.400 1.00 41.04 C ATOM 530 CE LYS A 34 8.852 2.017 8.738 1.00 10.21 C ATOM 531 NZ LYS A 34 10.231 1.957 8.179 1.00 42.24 N ATOM 0 H LYS A 34 4.951 2.199 10.781 1.00 4.13 H new ATOM 0 HA LYS A 34 4.051 3.358 8.356 1.00 20.52 H new ATOM 0 HB2 LYS A 34 6.236 1.318 8.895 1.00 23.22 H new ATOM 0 HB3 LYS A 34 6.005 2.162 7.377 1.00 23.22 H new ATOM 0 HG2 LYS A 34 6.288 4.343 8.681 1.00 54.01 H new ATOM 0 HG3 LYS A 34 6.783 3.365 10.049 1.00 54.01 H new ATOM 0 HD2 LYS A 34 8.125 3.449 7.317 1.00 41.04 H new ATOM 0 HD3 LYS A 34 8.743 4.158 8.796 1.00 41.04 H new ATOM 0 HE2 LYS A 34 8.894 1.897 9.821 1.00 10.21 H new ATOM 0 HE3 LYS A 34 8.266 1.185 8.348 1.00 10.21 H new ATOM 0 HZ1 LYS A 34 10.669 1.048 8.432 1.00 42.24 H new ATOM 0 HZ2 LYS A 34 10.190 2.045 7.144 1.00 42.24 H new ATOM 0 HZ3 LYS A 34 10.799 2.735 8.571 1.00 42.24 H new ATOM 545 N ASP A 35 3.173 0.308 8.940 1.00 73.04 N ATOM 546 CA ASP A 35 2.411 -0.836 8.435 1.00 64.41 C ATOM 547 C ASP A 35 1.101 -0.368 7.806 1.00 64.25 C ATOM 548 O ASP A 35 0.686 -0.873 6.761 1.00 53.13 O ATOM 549 CB ASP A 35 2.128 -1.847 9.557 1.00 73.02 C ATOM 550 CG ASP A 35 1.025 -1.407 10.508 1.00 3.23 C ATOM 551 OD1 ASP A 35 1.194 -0.377 11.194 1.00 15.23 O ATOM 552 OD2 ASP A 35 -0.022 -2.088 10.564 1.00 45.13 O ATOM 0 H ASP A 35 3.337 0.294 9.947 1.00 73.04 H new ATOM 0 HA ASP A 35 3.012 -1.331 7.672 1.00 64.41 H new ATOM 0 HB2 ASP A 35 1.853 -2.803 9.112 1.00 73.02 H new ATOM 0 HB3 ASP A 35 3.043 -2.011 10.126 1.00 73.02 H new ATOM 557 N GLU A 36 0.466 0.613 8.442 1.00 42.12 N ATOM 558 CA GLU A 36 -0.758 1.203 7.918 1.00 15.41 C ATOM 559 C GLU A 36 -0.435 2.024 6.677 1.00 5.41 C ATOM 560 O GLU A 36 -1.140 1.956 5.669 1.00 74.31 O ATOM 561 CB GLU A 36 -1.415 2.088 8.984 1.00 12.40 C ATOM 562 CG GLU A 36 -2.646 2.848 8.504 1.00 32.32 C ATOM 563 CD GLU A 36 -3.829 1.954 8.195 1.00 4.12 C ATOM 564 OE1 GLU A 36 -4.362 1.319 9.132 1.00 2.33 O ATOM 565 OE2 GLU A 36 -4.260 1.914 7.023 1.00 75.01 O ATOM 0 H GLU A 36 0.782 1.016 9.324 1.00 42.12 H new ATOM 0 HA GLU A 36 -1.455 0.409 7.650 1.00 15.41 H new ATOM 0 HB2 GLU A 36 -1.697 1.464 9.833 1.00 12.40 H new ATOM 0 HB3 GLU A 36 -0.679 2.806 9.346 1.00 12.40 H new ATOM 0 HG2 GLU A 36 -2.937 3.570 9.267 1.00 32.32 H new ATOM 0 HG3 GLU A 36 -2.387 3.415 7.610 1.00 32.32 H new ATOM 572 N ALA A 37 0.654 2.779 6.757 1.00 62.33 N ATOM 573 CA ALA A 37 1.080 3.636 5.662 1.00 40.42 C ATOM 574 C ALA A 37 1.386 2.816 4.415 1.00 13.23 C ATOM 575 O ALA A 37 0.830 3.076 3.354 1.00 72.24 O ATOM 576 CB ALA A 37 2.287 4.466 6.074 1.00 10.45 C ATOM 0 H ALA A 37 1.261 2.813 7.576 1.00 62.33 H new ATOM 0 HA ALA A 37 0.262 4.315 5.423 1.00 40.42 H new ATOM 0 HB1 ALA A 37 2.592 5.101 5.243 1.00 10.45 H new ATOM 0 HB2 ALA A 37 2.026 5.089 6.930 1.00 10.45 H new ATOM 0 HB3 ALA A 37 3.109 3.803 6.345 1.00 10.45 H new ATOM 582 N TYR A 38 2.243 1.807 4.556 1.00 61.12 N ATOM 583 CA TYR A 38 2.623 0.954 3.431 1.00 54.33 C ATOM 584 C TYR A 38 1.409 0.273 2.816 1.00 73.15 C ATOM 585 O TYR A 38 1.326 0.119 1.595 1.00 22.50 O ATOM 586 CB TYR A 38 3.649 -0.097 3.859 1.00 21.15 C ATOM 587 CG TYR A 38 5.076 0.393 3.802 1.00 12.23 C ATOM 588 CD1 TYR A 38 5.677 0.673 2.582 1.00 64.13 C ATOM 589 CD2 TYR A 38 5.821 0.578 4.959 1.00 21.43 C ATOM 590 CE1 TYR A 38 6.979 1.120 2.516 1.00 32.21 C ATOM 591 CE2 TYR A 38 7.126 1.026 4.901 1.00 11.52 C ATOM 592 CZ TYR A 38 7.699 1.297 3.675 1.00 71.34 C ATOM 593 OH TYR A 38 9.001 1.741 3.612 1.00 53.00 O ATOM 0 H TYR A 38 2.688 1.559 5.440 1.00 61.12 H new ATOM 0 HA TYR A 38 3.075 1.598 2.677 1.00 54.33 H new ATOM 0 HB2 TYR A 38 3.425 -0.419 4.876 1.00 21.15 H new ATOM 0 HB3 TYR A 38 3.549 -0.973 3.218 1.00 21.15 H new ATOM 0 HD1 TYR A 38 5.115 0.538 1.670 1.00 64.13 H new ATOM 0 HD2 TYR A 38 5.373 0.368 5.919 1.00 21.43 H new ATOM 0 HE1 TYR A 38 7.432 1.330 1.559 1.00 32.21 H new ATOM 0 HE2 TYR A 38 7.694 1.163 5.809 1.00 11.52 H new ATOM 0 HH TYR A 38 9.366 1.814 4.519 1.00 53.00 H new ATOM 603 N TYR A 39 0.460 -0.125 3.659 1.00 30.14 N ATOM 604 CA TYR A 39 -0.780 -0.714 3.176 1.00 24.35 C ATOM 605 C TYR A 39 -1.532 0.291 2.315 1.00 5.21 C ATOM 606 O TYR A 39 -1.998 -0.039 1.225 1.00 53.40 O ATOM 607 CB TYR A 39 -1.661 -1.175 4.341 1.00 25.41 C ATOM 608 CG TYR A 39 -3.000 -1.724 3.906 1.00 43.04 C ATOM 609 CD1 TYR A 39 -3.095 -2.966 3.292 1.00 64.11 C ATOM 610 CD2 TYR A 39 -4.168 -1.000 4.105 1.00 34.25 C ATOM 611 CE1 TYR A 39 -4.316 -3.470 2.888 1.00 3.01 C ATOM 612 CE2 TYR A 39 -5.392 -1.499 3.707 1.00 22.42 C ATOM 613 CZ TYR A 39 -5.462 -2.733 3.099 1.00 23.44 C ATOM 614 OH TYR A 39 -6.680 -3.228 2.702 1.00 41.43 O ATOM 0 H TYR A 39 0.527 -0.050 4.674 1.00 30.14 H new ATOM 0 HA TYR A 39 -0.532 -1.588 2.573 1.00 24.35 H new ATOM 0 HB2 TYR A 39 -1.130 -1.941 4.906 1.00 25.41 H new ATOM 0 HB3 TYR A 39 -1.824 -0.335 5.017 1.00 25.41 H new ATOM 0 HD1 TYR A 39 -2.200 -3.547 3.128 1.00 64.11 H new ATOM 0 HD2 TYR A 39 -4.118 -0.031 4.579 1.00 34.25 H new ATOM 0 HE1 TYR A 39 -4.373 -4.436 2.409 1.00 3.01 H new ATOM 0 HE2 TYR A 39 -6.291 -0.924 3.872 1.00 22.42 H new ATOM 0 HH TYR A 39 -7.384 -2.584 2.926 1.00 41.43 H new ATOM 624 N LEU A 40 -1.631 1.521 2.808 1.00 33.42 N ATOM 625 CA LEU A 40 -2.292 2.592 2.074 1.00 54.21 C ATOM 626 C LEU A 40 -1.559 2.892 0.773 1.00 72.25 C ATOM 627 O LEU A 40 -2.185 3.161 -0.249 1.00 21.13 O ATOM 628 CB LEU A 40 -2.376 3.859 2.929 1.00 44.31 C ATOM 629 CG LEU A 40 -3.232 3.734 4.190 1.00 60.05 C ATOM 630 CD1 LEU A 40 -3.174 5.018 5.008 1.00 63.21 C ATOM 631 CD2 LEU A 40 -4.669 3.396 3.823 1.00 44.04 C ATOM 0 H LEU A 40 -1.260 1.801 3.716 1.00 33.42 H new ATOM 0 HA LEU A 40 -3.302 2.260 1.835 1.00 54.21 H new ATOM 0 HB2 LEU A 40 -1.367 4.149 3.221 1.00 44.31 H new ATOM 0 HB3 LEU A 40 -2.775 4.667 2.316 1.00 44.31 H new ATOM 0 HG LEU A 40 -2.832 2.924 4.800 1.00 60.05 H new ATOM 0 HD11 LEU A 40 -3.790 4.909 5.901 1.00 63.21 H new ATOM 0 HD12 LEU A 40 -2.143 5.217 5.300 1.00 63.21 H new ATOM 0 HD13 LEU A 40 -3.548 5.848 4.409 1.00 63.21 H new ATOM 0 HD21 LEU A 40 -5.266 3.310 4.731 1.00 44.04 H new ATOM 0 HD22 LEU A 40 -5.079 4.185 3.193 1.00 44.04 H new ATOM 0 HD23 LEU A 40 -4.693 2.450 3.282 1.00 44.04 H new ATOM 643 N MET A 41 -0.232 2.829 0.814 1.00 55.31 N ATOM 644 CA MET A 41 0.584 3.080 -0.370 1.00 20.22 C ATOM 645 C MET A 41 0.270 2.053 -1.447 1.00 61.22 C ATOM 646 O MET A 41 -0.084 2.410 -2.571 1.00 32.41 O ATOM 647 CB MET A 41 2.078 3.036 -0.022 1.00 2.12 C ATOM 648 CG MET A 41 2.457 3.973 1.112 1.00 1.34 C ATOM 649 SD MET A 41 4.186 3.854 1.618 1.00 35.31 S ATOM 650 CE MET A 41 4.976 4.881 0.385 1.00 50.03 C ATOM 0 H MET A 41 0.302 2.606 1.654 1.00 55.31 H new ATOM 0 HA MET A 41 0.347 4.076 -0.745 1.00 20.22 H new ATOM 0 HB2 MET A 41 2.351 2.017 0.251 1.00 2.12 H new ATOM 0 HB3 MET A 41 2.658 3.295 -0.908 1.00 2.12 H new ATOM 0 HG2 MET A 41 2.248 4.998 0.807 1.00 1.34 H new ATOM 0 HG3 MET A 41 1.822 3.761 1.972 1.00 1.34 H new ATOM 0 HE1 MET A 41 6.057 4.849 0.523 1.00 50.03 H new ATOM 0 HE2 MET A 41 4.726 4.513 -0.610 1.00 50.03 H new ATOM 0 HE3 MET A 41 4.628 5.908 0.490 1.00 50.03 H new ATOM 660 N GLY A 42 0.360 0.778 -1.083 1.00 61.13 N ATOM 661 CA GLY A 42 0.058 -0.286 -2.023 1.00 5.23 C ATOM 662 C GLY A 42 -1.381 -0.235 -2.490 1.00 21.20 C ATOM 663 O GLY A 42 -1.679 -0.522 -3.650 1.00 25.41 O ATOM 0 H GLY A 42 0.637 0.462 -0.153 1.00 61.13 H new ATOM 0 HA2 GLY A 42 0.722 -0.209 -2.884 1.00 5.23 H new ATOM 0 HA3 GLY A 42 0.254 -1.251 -1.555 1.00 5.23 H new ATOM 667 N ASN A 43 -2.268 0.151 -1.581 1.00 3.53 N ATOM 668 CA ASN A 43 -3.685 0.277 -1.886 1.00 34.23 C ATOM 669 C ASN A 43 -3.905 1.375 -2.924 1.00 31.13 C ATOM 670 O ASN A 43 -4.683 1.214 -3.867 1.00 12.14 O ATOM 671 CB ASN A 43 -4.464 0.594 -0.606 1.00 61.21 C ATOM 672 CG ASN A 43 -5.963 0.499 -0.783 1.00 3.44 C ATOM 673 OD1 ASN A 43 -6.460 -0.295 -1.583 1.00 4.21 O ATOM 674 ND2 ASN A 43 -6.697 1.304 -0.029 1.00 34.15 N ATOM 0 H ASN A 43 -2.026 0.384 -0.618 1.00 3.53 H new ATOM 0 HA ASN A 43 -4.046 -0.666 -2.297 1.00 34.23 H new ATOM 0 HB2 ASN A 43 -4.153 -0.093 0.181 1.00 61.21 H new ATOM 0 HB3 ASN A 43 -4.207 1.599 -0.271 1.00 61.21 H new ATOM 0 HD21 ASN A 43 -7.714 1.281 -0.099 1.00 34.15 H new ATOM 0 HD22 ASN A 43 -6.245 1.947 0.621 1.00 34.15 H new ATOM 681 N ALA A 44 -3.196 2.483 -2.748 1.00 12.23 N ATOM 682 CA ALA A 44 -3.274 3.599 -3.675 1.00 40.40 C ATOM 683 C ALA A 44 -2.717 3.205 -5.039 1.00 13.45 C ATOM 684 O ALA A 44 -3.298 3.529 -6.075 1.00 72.32 O ATOM 685 CB ALA A 44 -2.522 4.802 -3.120 1.00 55.01 C ATOM 0 H ALA A 44 -2.558 2.631 -1.966 1.00 12.23 H new ATOM 0 HA ALA A 44 -4.322 3.871 -3.799 1.00 40.40 H new ATOM 0 HB1 ALA A 44 -2.589 5.630 -3.825 1.00 55.01 H new ATOM 0 HB2 ALA A 44 -2.963 5.099 -2.168 1.00 55.01 H new ATOM 0 HB3 ALA A 44 -1.475 4.539 -2.969 1.00 55.01 H new ATOM 691 N TYR A 45 -1.598 2.488 -5.033 1.00 24.02 N ATOM 692 CA TYR A 45 -0.968 2.042 -6.273 1.00 41.21 C ATOM 693 C TYR A 45 -1.873 1.112 -7.070 1.00 70.22 C ATOM 694 O TYR A 45 -1.974 1.240 -8.293 1.00 63.34 O ATOM 695 CB TYR A 45 0.361 1.342 -6.000 1.00 62.23 C ATOM 696 CG TYR A 45 1.505 2.283 -5.702 1.00 74.12 C ATOM 697 CD1 TYR A 45 1.972 3.170 -6.668 1.00 31.32 C ATOM 698 CD2 TYR A 45 2.129 2.280 -4.463 1.00 43.01 C ATOM 699 CE1 TYR A 45 3.024 4.026 -6.402 1.00 65.15 C ATOM 700 CE2 TYR A 45 3.182 3.131 -4.191 1.00 73.24 C ATOM 701 CZ TYR A 45 3.627 4.000 -5.162 1.00 33.44 C ATOM 702 OH TYR A 45 4.683 4.842 -4.894 1.00 73.11 O ATOM 0 H TYR A 45 -1.108 2.203 -4.185 1.00 24.02 H new ATOM 0 HA TYR A 45 -0.786 2.939 -6.865 1.00 41.21 H new ATOM 0 HB2 TYR A 45 0.235 0.662 -5.157 1.00 62.23 H new ATOM 0 HB3 TYR A 45 0.622 0.732 -6.865 1.00 62.23 H new ATOM 0 HD1 TYR A 45 1.505 3.190 -7.641 1.00 31.32 H new ATOM 0 HD2 TYR A 45 1.785 1.600 -3.698 1.00 43.01 H new ATOM 0 HE1 TYR A 45 3.372 4.711 -7.161 1.00 65.15 H new ATOM 0 HE2 TYR A 45 3.655 3.115 -3.220 1.00 73.24 H new ATOM 0 HH TYR A 45 4.991 4.698 -3.975 1.00 73.11 H new ATOM 712 N ARG A 46 -2.538 0.179 -6.390 1.00 64.03 N ATOM 713 CA ARG A 46 -3.402 -0.771 -7.086 1.00 2.24 C ATOM 714 C ARG A 46 -4.618 -0.057 -7.667 1.00 52.33 C ATOM 715 O ARG A 46 -5.166 -0.477 -8.685 1.00 15.13 O ATOM 716 CB ARG A 46 -3.848 -1.923 -6.172 1.00 70.24 C ATOM 717 CG ARG A 46 -4.982 -1.579 -5.218 1.00 52.42 C ATOM 718 CD ARG A 46 -5.599 -2.836 -4.629 1.00 44.31 C ATOM 719 NE ARG A 46 -6.783 -2.558 -3.818 1.00 24.04 N ATOM 720 CZ ARG A 46 -7.828 -3.385 -3.725 1.00 61.32 C ATOM 721 NH1 ARG A 46 -7.903 -4.448 -4.513 1.00 74.14 N ATOM 722 NH2 ARG A 46 -8.822 -3.118 -2.889 1.00 3.12 N ATOM 0 H ARG A 46 -2.497 0.062 -5.378 1.00 64.03 H new ATOM 0 HA ARG A 46 -2.819 -1.205 -7.898 1.00 2.24 H new ATOM 0 HB2 ARG A 46 -4.158 -2.763 -6.794 1.00 70.24 H new ATOM 0 HB3 ARG A 46 -2.990 -2.258 -5.589 1.00 70.24 H new ATOM 0 HG2 ARG A 46 -4.607 -0.944 -4.416 1.00 52.42 H new ATOM 0 HG3 ARG A 46 -5.746 -1.008 -5.746 1.00 52.42 H new ATOM 0 HD2 ARG A 46 -5.869 -3.516 -5.437 1.00 44.31 H new ATOM 0 HD3 ARG A 46 -4.856 -3.347 -4.017 1.00 44.31 H new ATOM 0 HE ARG A 46 -6.813 -1.684 -3.294 1.00 24.04 H new ATOM 0 HH11 ARG A 46 -7.163 -4.634 -5.190 1.00 74.14 H new ATOM 0 HH12 ARG A 46 -8.701 -5.080 -4.442 1.00 74.14 H new ATOM 0 HH21 ARG A 46 -8.791 -2.277 -2.312 1.00 3.12 H new ATOM 0 HH22 ARG A 46 -9.617 -3.753 -2.823 1.00 3.12 H new ATOM 736 N LYS A 47 -5.031 1.029 -7.022 1.00 11.51 N ATOM 737 CA LYS A 47 -6.134 1.828 -7.515 1.00 63.01 C ATOM 738 C LYS A 47 -5.709 2.603 -8.764 1.00 54.33 C ATOM 739 O LYS A 47 -6.540 2.958 -9.596 1.00 32.12 O ATOM 740 CB LYS A 47 -6.610 2.776 -6.418 1.00 41.14 C ATOM 741 CG LYS A 47 -7.879 3.526 -6.766 1.00 70.25 C ATOM 742 CD LYS A 47 -8.324 4.408 -5.615 1.00 4.41 C ATOM 743 CE LYS A 47 -8.807 3.587 -4.428 1.00 22.54 C ATOM 744 NZ LYS A 47 -10.105 2.914 -4.698 1.00 52.41 N ATOM 0 H LYS A 47 -4.614 1.372 -6.156 1.00 11.51 H new ATOM 0 HA LYS A 47 -6.961 1.173 -7.791 1.00 63.01 H new ATOM 0 HB2 LYS A 47 -6.775 2.205 -5.504 1.00 41.14 H new ATOM 0 HB3 LYS A 47 -5.820 3.496 -6.205 1.00 41.14 H new ATOM 0 HG2 LYS A 47 -7.713 4.137 -7.653 1.00 70.25 H new ATOM 0 HG3 LYS A 47 -8.669 2.816 -7.011 1.00 70.25 H new ATOM 0 HD2 LYS A 47 -7.496 5.045 -5.304 1.00 4.41 H new ATOM 0 HD3 LYS A 47 -9.124 5.067 -5.951 1.00 4.41 H new ATOM 0 HE2 LYS A 47 -8.056 2.837 -4.178 1.00 22.54 H new ATOM 0 HE3 LYS A 47 -8.911 4.236 -3.558 1.00 22.54 H new ATOM 0 HZ1 LYS A 47 -10.476 2.509 -3.815 1.00 52.41 H new ATOM 0 HZ2 LYS A 47 -10.784 3.607 -5.074 1.00 52.41 H new ATOM 0 HZ3 LYS A 47 -9.964 2.155 -5.394 1.00 52.41 H new ATOM 758 N LEU A 48 -4.411 2.861 -8.886 1.00 65.52 N ATOM 759 CA LEU A 48 -3.861 3.457 -10.101 1.00 15.01 C ATOM 760 C LEU A 48 -3.774 2.408 -11.199 1.00 3.40 C ATOM 761 O LEU A 48 -4.032 2.686 -12.371 1.00 74.44 O ATOM 762 CB LEU A 48 -2.460 4.031 -9.857 1.00 11.24 C ATOM 763 CG LEU A 48 -2.373 5.187 -8.864 1.00 61.43 C ATOM 764 CD1 LEU A 48 -0.926 5.628 -8.703 1.00 31.32 C ATOM 765 CD2 LEU A 48 -3.236 6.352 -9.320 1.00 14.12 C ATOM 0 H LEU A 48 -3.720 2.668 -8.161 1.00 65.52 H new ATOM 0 HA LEU A 48 -4.526 4.266 -10.402 1.00 15.01 H new ATOM 0 HB2 LEU A 48 -1.816 3.226 -9.504 1.00 11.24 H new ATOM 0 HB3 LEU A 48 -2.056 4.367 -10.812 1.00 11.24 H new ATOM 0 HG LEU A 48 -2.746 4.845 -7.899 1.00 61.43 H new ATOM 0 HD11 LEU A 48 -0.874 6.453 -7.993 1.00 31.32 H new ATOM 0 HD12 LEU A 48 -0.330 4.793 -8.334 1.00 31.32 H new ATOM 0 HD13 LEU A 48 -0.536 5.954 -9.667 1.00 31.32 H new ATOM 0 HD21 LEU A 48 -3.160 7.165 -8.598 1.00 14.12 H new ATOM 0 HD22 LEU A 48 -2.894 6.699 -10.295 1.00 14.12 H new ATOM 0 HD23 LEU A 48 -4.274 6.029 -9.394 1.00 14.12 H new ATOM 777 N GLY A 49 -3.398 1.199 -10.807 1.00 23.53 N ATOM 778 CA GLY A 49 -3.256 0.123 -11.760 1.00 24.21 C ATOM 779 C GLY A 49 -1.876 -0.495 -11.714 1.00 35.22 C ATOM 780 O GLY A 49 -1.602 -1.475 -12.411 1.00 24.14 O ATOM 0 H GLY A 49 -3.189 0.946 -9.841 1.00 23.53 H new ATOM 0 HA2 GLY A 49 -4.004 -0.643 -11.556 1.00 24.21 H new ATOM 0 HA3 GLY A 49 -3.452 0.500 -12.764 1.00 24.21 H new ATOM 784 N ASP A 50 -1.005 0.077 -10.892 1.00 13.41 N ATOM 785 CA ASP A 50 0.354 -0.425 -10.758 1.00 5.44 C ATOM 786 C ASP A 50 0.387 -1.543 -9.730 1.00 50.02 C ATOM 787 O ASP A 50 0.190 -1.312 -8.535 1.00 64.33 O ATOM 788 CB ASP A 50 1.313 0.692 -10.342 1.00 23.13 C ATOM 789 CG ASP A 50 2.770 0.297 -10.504 1.00 54.10 C ATOM 790 OD1 ASP A 50 3.238 -0.599 -9.777 1.00 11.22 O ATOM 791 OD2 ASP A 50 3.452 0.881 -11.375 1.00 74.55 O ATOM 0 H ASP A 50 -1.216 0.887 -10.310 1.00 13.41 H new ATOM 0 HA ASP A 50 0.677 -0.808 -11.726 1.00 5.44 H new ATOM 0 HB2 ASP A 50 1.112 1.581 -10.940 1.00 23.13 H new ATOM 0 HB3 ASP A 50 1.126 0.959 -9.302 1.00 23.13 H new ATOM 796 N TRP A 51 0.625 -2.755 -10.200 1.00 73.54 N ATOM 797 CA TRP A 51 0.618 -3.918 -9.333 1.00 64.05 C ATOM 798 C TRP A 51 1.987 -4.121 -8.715 1.00 63.23 C ATOM 799 O TRP A 51 2.113 -4.659 -7.613 1.00 41.33 O ATOM 800 CB TRP A 51 0.222 -5.162 -10.122 1.00 2.14 C ATOM 801 CG TRP A 51 -1.076 -5.013 -10.852 1.00 23.43 C ATOM 802 CD1 TRP A 51 -1.254 -4.967 -12.201 1.00 21.33 C ATOM 803 CD2 TRP A 51 -2.372 -4.875 -10.269 1.00 50.01 C ATOM 804 NE1 TRP A 51 -2.589 -4.816 -12.495 1.00 10.25 N ATOM 805 CE2 TRP A 51 -3.294 -4.756 -11.323 1.00 63.42 C ATOM 806 CE3 TRP A 51 -2.839 -4.845 -8.958 1.00 51.24 C ATOM 807 CZ2 TRP A 51 -4.661 -4.606 -11.101 1.00 1.31 C ATOM 808 CZ3 TRP A 51 -4.189 -4.697 -8.736 1.00 14.24 C ATOM 809 CH2 TRP A 51 -5.089 -4.579 -9.804 1.00 63.04 C ATOM 0 H TRP A 51 0.826 -2.959 -11.179 1.00 73.54 H new ATOM 0 HA TRP A 51 -0.110 -3.752 -8.539 1.00 64.05 H new ATOM 0 HB2 TRP A 51 1.009 -5.395 -10.839 1.00 2.14 H new ATOM 0 HB3 TRP A 51 0.152 -6.009 -9.440 1.00 2.14 H new ATOM 0 HD1 TRP A 51 -0.463 -5.039 -12.933 1.00 21.33 H new ATOM 0 HE1 TRP A 51 -2.988 -4.758 -13.432 1.00 10.25 H new ATOM 0 HE3 TRP A 51 -2.153 -4.936 -8.129 1.00 51.24 H new ATOM 0 HZ2 TRP A 51 -5.356 -4.515 -11.923 1.00 1.31 H new ATOM 0 HZ3 TRP A 51 -4.561 -4.671 -7.722 1.00 14.24 H new ATOM 0 HH2 TRP A 51 -6.143 -4.464 -9.597 1.00 63.04 H new ATOM 820 N GLN A 52 3.008 -3.669 -9.426 1.00 23.11 N ATOM 821 CA GLN A 52 4.379 -3.866 -9.001 1.00 55.40 C ATOM 822 C GLN A 52 4.650 -3.118 -7.704 1.00 52.41 C ATOM 823 O GLN A 52 5.144 -3.695 -6.733 1.00 12.12 O ATOM 824 CB GLN A 52 5.347 -3.406 -10.091 1.00 60.12 C ATOM 825 CG GLN A 52 6.768 -3.884 -9.860 1.00 33.44 C ATOM 826 CD GLN A 52 6.852 -5.397 -9.811 1.00 53.11 C ATOM 827 OE1 GLN A 52 7.069 -6.052 -10.830 1.00 62.41 O ATOM 828 NE2 GLN A 52 6.661 -5.963 -8.629 1.00 43.55 N ATOM 0 H GLN A 52 2.909 -3.161 -10.305 1.00 23.11 H new ATOM 0 HA GLN A 52 4.534 -4.930 -8.824 1.00 55.40 H new ATOM 0 HB2 GLN A 52 4.999 -3.772 -11.057 1.00 60.12 H new ATOM 0 HB3 GLN A 52 5.339 -2.317 -10.141 1.00 60.12 H new ATOM 0 HG2 GLN A 52 7.411 -3.510 -10.656 1.00 33.44 H new ATOM 0 HG3 GLN A 52 7.144 -3.469 -8.925 1.00 33.44 H new ATOM 0 HE21 GLN A 52 6.484 -5.383 -7.809 1.00 43.55 H new ATOM 0 HE22 GLN A 52 6.691 -6.979 -8.539 1.00 43.55 H new ATOM 837 N LYS A 53 4.306 -1.840 -7.691 1.00 32.22 N ATOM 838 CA LYS A 53 4.481 -1.011 -6.509 1.00 45.40 C ATOM 839 C LYS A 53 3.549 -1.457 -5.394 1.00 74.34 C ATOM 840 O LYS A 53 3.905 -1.403 -4.217 1.00 75.30 O ATOM 841 CB LYS A 53 4.233 0.458 -6.849 1.00 74.04 C ATOM 842 CG LYS A 53 5.368 1.110 -7.620 1.00 10.31 C ATOM 843 CD LYS A 53 6.605 1.252 -6.751 1.00 34.05 C ATOM 844 CE LYS A 53 7.722 1.985 -7.474 1.00 21.31 C ATOM 845 NZ LYS A 53 8.908 2.175 -6.599 1.00 21.53 N ATOM 0 H LYS A 53 3.902 -1.352 -8.490 1.00 32.22 H new ATOM 0 HA LYS A 53 5.508 -1.123 -6.163 1.00 45.40 H new ATOM 0 HB2 LYS A 53 3.317 0.536 -7.435 1.00 74.04 H new ATOM 0 HB3 LYS A 53 4.069 1.012 -5.925 1.00 74.04 H new ATOM 0 HG2 LYS A 53 5.604 0.513 -8.501 1.00 10.31 H new ATOM 0 HG3 LYS A 53 5.054 2.091 -7.975 1.00 10.31 H new ATOM 0 HD2 LYS A 53 6.348 1.790 -5.839 1.00 34.05 H new ATOM 0 HD3 LYS A 53 6.954 0.264 -6.451 1.00 34.05 H new ATOM 0 HE2 LYS A 53 8.011 1.424 -8.362 1.00 21.31 H new ATOM 0 HE3 LYS A 53 7.361 2.956 -7.814 1.00 21.31 H new ATOM 0 HZ1 LYS A 53 9.650 2.679 -7.125 1.00 21.53 H new ATOM 0 HZ2 LYS A 53 8.637 2.732 -5.763 1.00 21.53 H new ATOM 0 HZ3 LYS A 53 9.267 1.248 -6.295 1.00 21.53 H new ATOM 859 N ALA A 54 2.359 -1.908 -5.773 1.00 45.42 N ATOM 860 CA ALA A 54 1.378 -2.389 -4.808 1.00 33.25 C ATOM 861 C ALA A 54 1.949 -3.540 -3.987 1.00 10.14 C ATOM 862 O ALA A 54 1.924 -3.509 -2.758 1.00 45.23 O ATOM 863 CB ALA A 54 0.102 -2.824 -5.516 1.00 43.55 C ATOM 0 H ALA A 54 2.050 -1.951 -6.744 1.00 45.42 H new ATOM 0 HA ALA A 54 1.137 -1.570 -4.130 1.00 33.25 H new ATOM 0 HB1 ALA A 54 -0.619 -3.180 -4.780 1.00 43.55 H new ATOM 0 HB2 ALA A 54 -0.320 -1.978 -6.058 1.00 43.55 H new ATOM 0 HB3 ALA A 54 0.331 -3.626 -6.218 1.00 43.55 H new ATOM 869 N LEU A 55 2.487 -4.539 -4.680 1.00 74.54 N ATOM 870 CA LEU A 55 3.060 -5.714 -4.029 1.00 24.02 C ATOM 871 C LEU A 55 4.239 -5.344 -3.136 1.00 33.34 C ATOM 872 O LEU A 55 4.342 -5.831 -2.010 1.00 65.44 O ATOM 873 CB LEU A 55 3.502 -6.731 -5.079 1.00 60.41 C ATOM 874 CG LEU A 55 2.370 -7.322 -5.914 1.00 41.31 C ATOM 875 CD1 LEU A 55 2.930 -8.178 -7.036 1.00 22.00 C ATOM 876 CD2 LEU A 55 1.434 -8.137 -5.035 1.00 11.41 C ATOM 0 H LEU A 55 2.538 -4.558 -5.699 1.00 74.54 H new ATOM 0 HA LEU A 55 2.287 -6.153 -3.398 1.00 24.02 H new ATOM 0 HB2 LEU A 55 4.217 -6.253 -5.749 1.00 60.41 H new ATOM 0 HB3 LEU A 55 4.028 -7.544 -4.578 1.00 60.41 H new ATOM 0 HG LEU A 55 1.802 -6.504 -6.357 1.00 41.31 H new ATOM 0 HD11 LEU A 55 2.109 -8.592 -7.622 1.00 22.00 H new ATOM 0 HD12 LEU A 55 3.563 -7.566 -7.679 1.00 22.00 H new ATOM 0 HD13 LEU A 55 3.520 -8.991 -6.613 1.00 22.00 H new ATOM 0 HD21 LEU A 55 0.632 -8.552 -5.645 1.00 11.41 H new ATOM 0 HD22 LEU A 55 1.990 -8.949 -4.566 1.00 11.41 H new ATOM 0 HD23 LEU A 55 1.008 -7.495 -4.264 1.00 11.41 H new ATOM 888 N ASN A 56 5.121 -4.480 -3.639 1.00 2.22 N ATOM 889 CA ASN A 56 6.299 -4.055 -2.880 1.00 60.35 C ATOM 890 C ASN A 56 5.889 -3.451 -1.544 1.00 74.13 C ATOM 891 O ASN A 56 6.390 -3.846 -0.489 1.00 63.31 O ATOM 892 CB ASN A 56 7.130 -3.025 -3.658 1.00 41.52 C ATOM 893 CG ASN A 56 7.727 -3.571 -4.945 1.00 71.44 C ATOM 894 OD1 ASN A 56 7.950 -4.772 -5.088 1.00 1.31 O ATOM 895 ND2 ASN A 56 8.020 -2.680 -5.884 1.00 24.42 N ATOM 0 H ASN A 56 5.043 -4.061 -4.566 1.00 2.22 H new ATOM 0 HA ASN A 56 6.907 -4.943 -2.711 1.00 60.35 H new ATOM 0 HB2 ASN A 56 6.501 -2.167 -3.895 1.00 41.52 H new ATOM 0 HB3 ASN A 56 7.935 -2.663 -3.019 1.00 41.52 H new ATOM 0 HD21 ASN A 56 8.445 -2.983 -6.760 1.00 24.42 H new ATOM 0 HD22 ASN A 56 7.820 -1.692 -5.729 1.00 24.42 H new ATOM 902 N ASN A 57 4.956 -2.506 -1.599 1.00 0.02 N ATOM 903 CA ASN A 57 4.505 -1.804 -0.402 1.00 23.05 C ATOM 904 C ASN A 57 3.689 -2.721 0.501 1.00 12.02 C ATOM 905 O ASN A 57 3.804 -2.651 1.725 1.00 4.14 O ATOM 906 CB ASN A 57 3.699 -0.556 -0.773 1.00 73.44 C ATOM 907 CG ASN A 57 4.574 0.562 -1.318 1.00 32.21 C ATOM 908 OD1 ASN A 57 5.081 1.389 -0.563 1.00 21.23 O ATOM 909 ND2 ASN A 57 4.760 0.600 -2.630 1.00 21.42 N ATOM 0 H ASN A 57 4.497 -2.208 -2.460 1.00 0.02 H new ATOM 0 HA ASN A 57 5.390 -1.489 0.151 1.00 23.05 H new ATOM 0 HB2 ASN A 57 2.948 -0.821 -1.517 1.00 73.44 H new ATOM 0 HB3 ASN A 57 3.164 -0.198 0.107 1.00 73.44 H new ATOM 0 HD21 ASN A 57 5.339 1.332 -3.042 1.00 21.42 H new ATOM 0 HD22 ASN A 57 4.324 -0.102 -3.227 1.00 21.42 H new ATOM 916 N TYR A 58 2.877 -3.589 -0.099 1.00 14.43 N ATOM 917 CA TYR A 58 2.110 -4.567 0.672 1.00 24.55 C ATOM 918 C TYR A 58 3.035 -5.444 1.505 1.00 72.35 C ATOM 919 O TYR A 58 2.799 -5.658 2.693 1.00 60.11 O ATOM 920 CB TYR A 58 1.261 -5.459 -0.241 1.00 12.15 C ATOM 921 CG TYR A 58 -0.050 -4.843 -0.680 1.00 65.52 C ATOM 922 CD1 TYR A 58 -0.631 -3.800 0.031 1.00 20.11 C ATOM 923 CD2 TYR A 58 -0.718 -5.325 -1.800 1.00 51.40 C ATOM 924 CE1 TYR A 58 -1.838 -3.255 -0.360 1.00 14.41 C ATOM 925 CE2 TYR A 58 -1.925 -4.784 -2.200 1.00 60.33 C ATOM 926 CZ TYR A 58 -2.481 -3.750 -1.475 1.00 72.45 C ATOM 927 OH TYR A 58 -3.687 -3.217 -1.866 1.00 54.12 O ATOM 0 H TYR A 58 2.733 -3.636 -1.108 1.00 14.43 H new ATOM 0 HA TYR A 58 1.448 -4.006 1.332 1.00 24.55 H new ATOM 0 HB2 TYR A 58 1.844 -5.710 -1.127 1.00 12.15 H new ATOM 0 HB3 TYR A 58 1.052 -6.394 0.278 1.00 12.15 H new ATOM 0 HD1 TYR A 58 -0.130 -3.409 0.904 1.00 20.11 H new ATOM 0 HD2 TYR A 58 -0.286 -6.136 -2.367 1.00 51.40 H new ATOM 0 HE1 TYR A 58 -2.276 -2.445 0.205 1.00 14.41 H new ATOM 0 HE2 TYR A 58 -2.430 -5.168 -3.074 1.00 60.33 H new ATOM 0 HH TYR A 58 -4.060 -2.681 -1.135 1.00 54.12 H new ATOM 937 N GLN A 59 4.096 -5.937 0.877 1.00 14.42 N ATOM 938 CA GLN A 59 5.035 -6.824 1.547 1.00 3.11 C ATOM 939 C GLN A 59 5.711 -6.094 2.705 1.00 2.02 C ATOM 940 O GLN A 59 5.824 -6.633 3.803 1.00 31.24 O ATOM 941 CB GLN A 59 6.075 -7.335 0.545 1.00 32.15 C ATOM 942 CG GLN A 59 6.531 -8.771 0.785 1.00 42.44 C ATOM 943 CD GLN A 59 7.344 -8.943 2.056 1.00 44.53 C ATOM 944 OE1 GLN A 59 8.561 -8.780 2.050 1.00 40.43 O ATOM 945 NE2 GLN A 59 6.684 -9.304 3.145 1.00 65.50 N ATOM 0 H GLN A 59 4.326 -5.736 -0.096 1.00 14.42 H new ATOM 0 HA GLN A 59 4.494 -7.680 1.951 1.00 3.11 H new ATOM 0 HB2 GLN A 59 5.659 -7.262 -0.460 1.00 32.15 H new ATOM 0 HB3 GLN A 59 6.946 -6.680 0.578 1.00 32.15 H new ATOM 0 HG2 GLN A 59 5.656 -9.419 0.832 1.00 42.44 H new ATOM 0 HG3 GLN A 59 7.127 -9.102 -0.066 1.00 42.44 H new ATOM 0 HE21 GLN A 59 5.672 -9.429 3.110 1.00 65.50 H new ATOM 0 HE22 GLN A 59 7.187 -9.457 4.019 1.00 65.50 H new ATOM 954 N SER A 60 6.123 -4.854 2.462 1.00 41.35 N ATOM 955 CA SER A 60 6.768 -4.046 3.493 1.00 63.41 C ATOM 956 C SER A 60 5.835 -3.819 4.689 1.00 12.11 C ATOM 957 O SER A 60 6.288 -3.728 5.832 1.00 25.52 O ATOM 958 CB SER A 60 7.218 -2.710 2.897 1.00 2.35 C ATOM 959 OG SER A 60 8.110 -2.918 1.810 1.00 34.33 O ATOM 0 H SER A 60 6.022 -4.386 1.561 1.00 41.35 H new ATOM 0 HA SER A 60 7.642 -4.586 3.858 1.00 63.41 H new ATOM 0 HB2 SER A 60 6.349 -2.147 2.558 1.00 2.35 H new ATOM 0 HB3 SER A 60 7.707 -2.110 3.665 1.00 2.35 H new ATOM 0 HG SER A 60 7.606 -3.225 1.027 1.00 34.33 H new ATOM 965 N ALA A 61 4.535 -3.738 4.421 1.00 62.44 N ATOM 966 CA ALA A 61 3.545 -3.600 5.481 1.00 33.12 C ATOM 967 C ALA A 61 3.453 -4.887 6.295 1.00 1.13 C ATOM 968 O ALA A 61 3.356 -4.855 7.522 1.00 61.51 O ATOM 969 CB ALA A 61 2.187 -3.242 4.895 1.00 1.31 C ATOM 0 H ALA A 61 4.144 -3.766 3.479 1.00 62.44 H new ATOM 0 HA ALA A 61 3.858 -2.794 6.145 1.00 33.12 H new ATOM 0 HB1 ALA A 61 1.458 -3.142 5.700 1.00 1.31 H new ATOM 0 HB2 ALA A 61 2.261 -2.299 4.354 1.00 1.31 H new ATOM 0 HB3 ALA A 61 1.867 -4.028 4.211 1.00 1.31 H new ATOM 975 N ILE A 62 3.506 -6.016 5.596 1.00 43.23 N ATOM 976 CA ILE A 62 3.444 -7.329 6.230 1.00 41.03 C ATOM 977 C ILE A 62 4.660 -7.557 7.124 1.00 13.05 C ATOM 978 O ILE A 62 4.564 -8.197 8.174 1.00 43.52 O ATOM 979 CB ILE A 62 3.378 -8.455 5.174 1.00 41.41 C ATOM 980 CG1 ILE A 62 2.179 -8.248 4.244 1.00 4.24 C ATOM 981 CG2 ILE A 62 3.295 -9.816 5.848 1.00 53.52 C ATOM 982 CD1 ILE A 62 2.129 -9.227 3.092 1.00 62.42 C ATOM 0 H ILE A 62 3.593 -6.048 4.580 1.00 43.23 H new ATOM 0 HA ILE A 62 2.538 -7.354 6.835 1.00 41.03 H new ATOM 0 HB ILE A 62 4.290 -8.420 4.578 1.00 41.41 H new ATOM 0 HG12 ILE A 62 1.261 -8.336 4.824 1.00 4.24 H new ATOM 0 HG13 ILE A 62 2.209 -7.234 3.846 1.00 4.24 H new ATOM 0 HG21 ILE A 62 3.249 -10.596 5.088 1.00 53.52 H new ATOM 0 HG22 ILE A 62 4.176 -9.968 6.471 1.00 53.52 H new ATOM 0 HG23 ILE A 62 2.400 -9.861 6.468 1.00 53.52 H new ATOM 0 HD11 ILE A 62 1.254 -9.020 2.476 1.00 62.42 H new ATOM 0 HD12 ILE A 62 3.030 -9.124 2.488 1.00 62.42 H new ATOM 0 HD13 ILE A 62 2.067 -10.243 3.481 1.00 62.42 H new ATOM 994 N GLU A 63 5.803 -7.027 6.705 1.00 32.25 N ATOM 995 CA GLU A 63 7.036 -7.162 7.470 1.00 43.03 C ATOM 996 C GLU A 63 6.882 -6.543 8.854 1.00 4.12 C ATOM 997 O GLU A 63 7.300 -7.122 9.856 1.00 65.13 O ATOM 998 CB GLU A 63 8.205 -6.507 6.733 1.00 53.23 C ATOM 999 CG GLU A 63 8.456 -7.085 5.353 1.00 40.53 C ATOM 1000 CD GLU A 63 9.769 -6.627 4.766 1.00 13.43 C ATOM 1001 OE1 GLU A 63 9.849 -5.475 4.288 1.00 51.14 O ATOM 1002 OE2 GLU A 63 10.735 -7.420 4.792 1.00 43.31 O ATOM 0 H GLU A 63 5.901 -6.499 5.838 1.00 32.25 H new ATOM 0 HA GLU A 63 7.246 -8.226 7.583 1.00 43.03 H new ATOM 0 HB2 GLU A 63 8.011 -5.438 6.640 1.00 53.23 H new ATOM 0 HB3 GLU A 63 9.108 -6.616 7.333 1.00 53.23 H new ATOM 0 HG2 GLU A 63 8.447 -8.173 5.411 1.00 40.53 H new ATOM 0 HG3 GLU A 63 7.643 -6.795 4.687 1.00 40.53 H new ATOM 1009 N LEU A 64 6.265 -5.374 8.900 1.00 11.41 N ATOM 1010 CA LEU A 64 6.070 -4.664 10.155 1.00 5.33 C ATOM 1011 C LEU A 64 4.878 -5.232 10.919 1.00 73.34 C ATOM 1012 O LEU A 64 4.932 -5.402 12.135 1.00 64.01 O ATOM 1013 CB LEU A 64 5.865 -3.175 9.883 1.00 53.34 C ATOM 1014 CG LEU A 64 7.018 -2.493 9.146 1.00 60.03 C ATOM 1015 CD1 LEU A 64 6.664 -1.055 8.824 1.00 12.20 C ATOM 1016 CD2 LEU A 64 8.291 -2.554 9.977 1.00 70.33 C ATOM 0 H LEU A 64 5.890 -4.895 8.081 1.00 11.41 H new ATOM 0 HA LEU A 64 6.960 -4.794 10.770 1.00 5.33 H new ATOM 0 HB2 LEU A 64 4.954 -3.049 9.299 1.00 53.34 H new ATOM 0 HB3 LEU A 64 5.707 -2.665 10.833 1.00 53.34 H new ATOM 0 HG LEU A 64 7.191 -3.024 8.210 1.00 60.03 H new ATOM 0 HD11 LEU A 64 7.496 -0.584 8.300 1.00 12.20 H new ATOM 0 HD12 LEU A 64 5.776 -1.032 8.192 1.00 12.20 H new ATOM 0 HD13 LEU A 64 6.465 -0.513 9.749 1.00 12.20 H new ATOM 0 HD21 LEU A 64 9.102 -2.064 9.437 1.00 70.33 H new ATOM 0 HD22 LEU A 64 8.129 -2.047 10.928 1.00 70.33 H new ATOM 0 HD23 LEU A 64 8.555 -3.595 10.162 1.00 70.33 H new ATOM 1028 N ASN A 65 3.807 -5.523 10.196 1.00 23.12 N ATOM 1029 CA ASN A 65 2.605 -6.090 10.795 1.00 62.14 C ATOM 1030 C ASN A 65 2.087 -7.236 9.938 1.00 3.25 C ATOM 1031 O ASN A 65 1.439 -7.021 8.910 1.00 31.42 O ATOM 1032 CB ASN A 65 1.535 -5.007 10.978 1.00 13.31 C ATOM 1033 CG ASN A 65 0.181 -5.548 11.411 1.00 34.03 C ATOM 1034 OD1 ASN A 65 0.076 -6.619 12.012 1.00 61.42 O ATOM 1035 ND2 ASN A 65 -0.865 -4.789 11.129 1.00 74.22 N ATOM 0 H ASN A 65 3.745 -5.375 9.189 1.00 23.12 H new ATOM 0 HA ASN A 65 2.851 -6.485 11.781 1.00 62.14 H new ATOM 0 HB2 ASN A 65 1.882 -4.288 11.720 1.00 13.31 H new ATOM 0 HB3 ASN A 65 1.416 -4.465 10.040 1.00 13.31 H new ATOM 0 HD21 ASN A 65 -1.800 -5.084 11.411 1.00 74.22 H new ATOM 0 HD22 ASN A 65 -0.737 -3.909 10.630 1.00 74.22 H new ATOM 1042 N PRO A 66 2.373 -8.477 10.356 1.00 12.04 N ATOM 1043 CA PRO A 66 2.028 -9.677 9.593 1.00 34.23 C ATOM 1044 C PRO A 66 0.574 -10.098 9.775 1.00 54.45 C ATOM 1045 O PRO A 66 0.178 -11.185 9.360 1.00 70.41 O ATOM 1046 CB PRO A 66 2.967 -10.728 10.180 1.00 71.44 C ATOM 1047 CG PRO A 66 3.143 -10.316 11.602 1.00 64.15 C ATOM 1048 CD PRO A 66 3.066 -8.810 11.617 1.00 75.10 C ATOM 0 HA PRO A 66 2.136 -9.526 8.519 1.00 34.23 H new ATOM 0 HB2 PRO A 66 2.540 -11.728 10.106 1.00 71.44 H new ATOM 0 HB3 PRO A 66 3.920 -10.749 9.652 1.00 71.44 H new ATOM 0 HG2 PRO A 66 2.368 -10.752 12.232 1.00 64.15 H new ATOM 0 HG3 PRO A 66 4.101 -10.661 11.991 1.00 64.15 H new ATOM 0 HD2 PRO A 66 2.514 -8.447 12.484 1.00 75.10 H new ATOM 0 HD3 PRO A 66 4.058 -8.360 11.659 1.00 75.10 H new ATOM 1056 N ASP A 67 -0.217 -9.244 10.405 1.00 60.10 N ATOM 1057 CA ASP A 67 -1.630 -9.529 10.603 1.00 52.51 C ATOM 1058 C ASP A 67 -2.473 -8.424 9.969 1.00 4.34 C ATOM 1059 O ASP A 67 -3.671 -8.298 10.225 1.00 34.54 O ATOM 1060 CB ASP A 67 -1.931 -9.675 12.099 1.00 12.33 C ATOM 1061 CG ASP A 67 -3.285 -10.301 12.372 1.00 1.42 C ATOM 1062 OD1 ASP A 67 -3.673 -11.246 11.649 1.00 13.25 O ATOM 1063 OD2 ASP A 67 -3.958 -9.869 13.332 1.00 32.01 O ATOM 0 H ASP A 67 0.094 -8.351 10.787 1.00 60.10 H new ATOM 0 HA ASP A 67 -1.885 -10.471 10.117 1.00 52.51 H new ATOM 0 HB2 ASP A 67 -1.155 -10.284 12.562 1.00 12.33 H new ATOM 0 HB3 ASP A 67 -1.889 -8.693 12.570 1.00 12.33 H new ATOM 1068 N SER A 68 -1.829 -7.640 9.117 1.00 22.31 N ATOM 1069 CA SER A 68 -2.495 -6.566 8.398 1.00 43.34 C ATOM 1070 C SER A 68 -3.273 -7.136 7.210 1.00 10.43 C ATOM 1071 O SER A 68 -3.063 -8.287 6.824 1.00 31.13 O ATOM 1072 CB SER A 68 -1.456 -5.544 7.922 1.00 14.35 C ATOM 1073 OG SER A 68 -0.461 -6.161 7.120 1.00 62.15 O ATOM 0 H SER A 68 -0.835 -7.730 8.906 1.00 22.31 H new ATOM 0 HA SER A 68 -3.200 -6.067 9.063 1.00 43.34 H new ATOM 0 HB2 SER A 68 -1.950 -4.757 7.352 1.00 14.35 H new ATOM 0 HB3 SER A 68 -0.989 -5.068 8.784 1.00 14.35 H new ATOM 0 HG SER A 68 0.260 -6.496 7.693 1.00 62.15 H new ATOM 1079 N PRO A 69 -4.186 -6.351 6.608 1.00 1.41 N ATOM 1080 CA PRO A 69 -4.952 -6.791 5.437 1.00 51.23 C ATOM 1081 C PRO A 69 -4.073 -6.936 4.195 1.00 3.43 C ATOM 1082 O PRO A 69 -4.521 -7.418 3.152 1.00 41.15 O ATOM 1083 CB PRO A 69 -5.991 -5.677 5.229 1.00 74.45 C ATOM 1084 CG PRO A 69 -5.939 -4.832 6.458 1.00 23.42 C ATOM 1085 CD PRO A 69 -4.557 -4.989 7.022 1.00 64.24 C ATOM 0 HA PRO A 69 -5.397 -7.773 5.595 1.00 51.23 H new ATOM 0 HB2 PRO A 69 -5.760 -5.089 4.341 1.00 74.45 H new ATOM 0 HB3 PRO A 69 -6.987 -6.095 5.084 1.00 74.45 H new ATOM 0 HG2 PRO A 69 -6.145 -3.788 6.221 1.00 23.42 H new ATOM 0 HG3 PRO A 69 -6.691 -5.150 7.180 1.00 23.42 H new ATOM 0 HD2 PRO A 69 -3.870 -4.244 6.621 1.00 64.24 H new ATOM 0 HD3 PRO A 69 -4.548 -4.880 8.106 1.00 64.24 H new ATOM 1093 N ALA A 70 -2.812 -6.532 4.321 1.00 71.11 N ATOM 1094 CA ALA A 70 -1.880 -6.537 3.203 1.00 53.13 C ATOM 1095 C ALA A 70 -1.531 -7.957 2.766 1.00 12.23 C ATOM 1096 O ALA A 70 -1.139 -8.178 1.622 1.00 3.42 O ATOM 1097 CB ALA A 70 -0.621 -5.765 3.570 1.00 54.30 C ATOM 0 H ALA A 70 -2.412 -6.194 5.196 1.00 71.11 H new ATOM 0 HA ALA A 70 -2.365 -6.047 2.359 1.00 53.13 H new ATOM 0 HB1 ALA A 70 0.070 -5.774 2.727 1.00 54.30 H new ATOM 0 HB2 ALA A 70 -0.883 -4.735 3.813 1.00 54.30 H new ATOM 0 HB3 ALA A 70 -0.147 -6.232 4.433 1.00 54.30 H new ATOM 1103 N LEU A 71 -1.685 -8.918 3.676 1.00 32.35 N ATOM 1104 CA LEU A 71 -1.391 -10.313 3.368 1.00 55.31 C ATOM 1105 C LEU A 71 -2.271 -10.813 2.235 1.00 64.24 C ATOM 1106 O LEU A 71 -1.783 -11.281 1.202 1.00 41.14 O ATOM 1107 CB LEU A 71 -1.635 -11.199 4.592 1.00 43.41 C ATOM 1108 CG LEU A 71 -0.529 -11.243 5.646 1.00 54.13 C ATOM 1109 CD1 LEU A 71 -0.370 -9.896 6.337 1.00 34.23 C ATOM 1110 CD2 LEU A 71 -0.835 -12.341 6.655 1.00 74.51 C ATOM 0 H LEU A 71 -2.011 -8.755 4.629 1.00 32.35 H new ATOM 0 HA LEU A 71 -0.343 -10.367 3.073 1.00 55.31 H new ATOM 0 HB2 LEU A 71 -2.552 -10.863 5.076 1.00 43.41 H new ATOM 0 HB3 LEU A 71 -1.813 -12.217 4.244 1.00 43.41 H new ATOM 0 HG LEU A 71 0.417 -11.465 5.153 1.00 54.13 H new ATOM 0 HD11 LEU A 71 0.424 -9.960 7.081 1.00 34.23 H new ATOM 0 HD12 LEU A 71 -0.115 -9.136 5.598 1.00 34.23 H new ATOM 0 HD13 LEU A 71 -1.305 -9.626 6.827 1.00 34.23 H new ATOM 0 HD21 LEU A 71 -0.047 -12.374 7.407 1.00 74.51 H new ATOM 0 HD22 LEU A 71 -1.790 -12.135 7.138 1.00 74.51 H new ATOM 0 HD23 LEU A 71 -0.887 -13.302 6.143 1.00 74.51 H new ATOM 1122 N GLN A 72 -3.572 -10.667 2.421 1.00 64.54 N ATOM 1123 CA GLN A 72 -4.536 -11.176 1.467 1.00 11.12 C ATOM 1124 C GLN A 72 -4.556 -10.294 0.231 1.00 21.55 C ATOM 1125 O GLN A 72 -4.798 -10.765 -0.875 1.00 62.31 O ATOM 1126 CB GLN A 72 -5.921 -11.252 2.110 1.00 14.31 C ATOM 1127 CG GLN A 72 -5.904 -11.883 3.497 1.00 43.02 C ATOM 1128 CD GLN A 72 -5.441 -13.334 3.508 1.00 13.14 C ATOM 1129 OE1 GLN A 72 -4.688 -13.778 2.639 1.00 70.13 O ATOM 1130 NE2 GLN A 72 -5.861 -14.074 4.521 1.00 23.01 N ATOM 0 H GLN A 72 -3.984 -10.198 3.228 1.00 64.54 H new ATOM 0 HA GLN A 72 -4.247 -12.182 1.165 1.00 11.12 H new ATOM 0 HB2 GLN A 72 -6.338 -10.247 2.180 1.00 14.31 H new ATOM 0 HB3 GLN A 72 -6.584 -11.828 1.464 1.00 14.31 H new ATOM 0 HG2 GLN A 72 -5.250 -11.298 4.144 1.00 43.02 H new ATOM 0 HG3 GLN A 72 -6.906 -11.828 3.923 1.00 43.02 H new ATOM 0 HE21 GLN A 72 -6.484 -13.673 5.222 1.00 23.01 H new ATOM 0 HE22 GLN A 72 -5.562 -15.046 4.601 1.00 23.01 H new ATOM 1139 N ALA A 73 -4.271 -9.013 0.433 1.00 53.51 N ATOM 1140 CA ALA A 73 -4.194 -8.066 -0.666 1.00 11.42 C ATOM 1141 C ALA A 73 -3.028 -8.409 -1.593 1.00 11.45 C ATOM 1142 O ALA A 73 -3.133 -8.270 -2.812 1.00 31.12 O ATOM 1143 CB ALA A 73 -4.058 -6.648 -0.131 1.00 24.24 C ATOM 0 H ALA A 73 -4.089 -8.608 1.351 1.00 53.51 H new ATOM 0 HA ALA A 73 -5.116 -8.130 -1.244 1.00 11.42 H new ATOM 0 HB1 ALA A 73 -4.001 -5.948 -0.965 1.00 24.24 H new ATOM 0 HB2 ALA A 73 -4.924 -6.407 0.486 1.00 24.24 H new ATOM 0 HB3 ALA A 73 -3.152 -6.571 0.469 1.00 24.24 H new ATOM 1149 N ARG A 74 -1.920 -8.862 -1.011 1.00 12.31 N ATOM 1150 CA ARG A 74 -0.765 -9.298 -1.793 1.00 22.40 C ATOM 1151 C ARG A 74 -1.128 -10.491 -2.674 1.00 40.11 C ATOM 1152 O ARG A 74 -0.903 -10.463 -3.883 1.00 14.10 O ATOM 1153 CB ARG A 74 0.411 -9.655 -0.877 1.00 22.52 C ATOM 1154 CG ARG A 74 1.533 -10.397 -1.589 1.00 23.12 C ATOM 1155 CD ARG A 74 2.673 -10.722 -0.643 1.00 22.13 C ATOM 1156 NE ARG A 74 3.438 -11.885 -1.094 1.00 51.40 N ATOM 1157 CZ ARG A 74 4.160 -12.663 -0.290 1.00 0.13 C ATOM 1158 NH1 ARG A 74 4.270 -12.376 1.002 1.00 65.34 N ATOM 1159 NH2 ARG A 74 4.768 -13.731 -0.782 1.00 0.43 N ATOM 0 H ARG A 74 -1.797 -8.937 -0.001 1.00 12.31 H new ATOM 0 HA ARG A 74 -0.463 -8.471 -2.435 1.00 22.40 H new ATOM 0 HB2 ARG A 74 0.811 -8.740 -0.440 1.00 22.52 H new ATOM 0 HB3 ARG A 74 0.046 -10.269 -0.053 1.00 22.52 H new ATOM 0 HG2 ARG A 74 1.144 -11.319 -2.021 1.00 23.12 H new ATOM 0 HG3 ARG A 74 1.906 -9.790 -2.414 1.00 23.12 H new ATOM 0 HD2 ARG A 74 3.335 -9.860 -0.562 1.00 22.13 H new ATOM 0 HD3 ARG A 74 2.275 -10.913 0.354 1.00 22.13 H new ATOM 0 HE ARG A 74 3.417 -12.114 -2.088 1.00 51.40 H new ATOM 0 HH11 ARG A 74 3.800 -11.555 1.384 1.00 65.34 H new ATOM 0 HH12 ARG A 74 4.825 -12.976 1.612 1.00 65.34 H new ATOM 0 HH21 ARG A 74 4.682 -13.955 -1.773 1.00 0.43 H new ATOM 0 HH22 ARG A 74 5.322 -14.330 -0.170 1.00 0.43 H new ATOM 1173 N LYS A 75 -1.697 -11.532 -2.069 1.00 1.53 N ATOM 1174 CA LYS A 75 -2.100 -12.715 -2.827 1.00 11.53 C ATOM 1175 C LYS A 75 -3.183 -12.366 -3.841 1.00 13.10 C ATOM 1176 O LYS A 75 -3.253 -12.960 -4.918 1.00 22.05 O ATOM 1177 CB LYS A 75 -2.589 -13.839 -1.908 1.00 51.15 C ATOM 1178 CG LYS A 75 -1.475 -14.745 -1.400 1.00 13.51 C ATOM 1179 CD LYS A 75 -0.775 -14.175 -0.174 1.00 1.23 C ATOM 1180 CE LYS A 75 -1.624 -14.339 1.079 1.00 31.32 C ATOM 1181 NZ LYS A 75 -2.018 -15.756 1.301 1.00 2.20 N ATOM 0 H LYS A 75 -1.888 -11.581 -1.068 1.00 1.53 H new ATOM 0 HA LYS A 75 -1.217 -13.072 -3.358 1.00 11.53 H new ATOM 0 HB2 LYS A 75 -3.105 -13.399 -1.054 1.00 51.15 H new ATOM 0 HB3 LYS A 75 -3.320 -14.443 -2.445 1.00 51.15 H new ATOM 0 HG2 LYS A 75 -1.889 -15.723 -1.156 1.00 13.51 H new ATOM 0 HG3 LYS A 75 -0.744 -14.897 -2.194 1.00 13.51 H new ATOM 0 HD2 LYS A 75 0.183 -14.677 -0.034 1.00 1.23 H new ATOM 0 HD3 LYS A 75 -0.561 -13.118 -0.334 1.00 1.23 H new ATOM 0 HE2 LYS A 75 -1.068 -13.977 1.944 1.00 31.32 H new ATOM 0 HE3 LYS A 75 -2.519 -13.722 0.994 1.00 31.32 H new ATOM 0 HZ1 LYS A 75 -2.239 -15.901 2.307 1.00 2.20 H new ATOM 0 HZ2 LYS A 75 -2.856 -15.977 0.727 1.00 2.20 H new ATOM 0 HZ3 LYS A 75 -1.234 -16.382 1.025 1.00 2.20 H new ATOM 1195 N MET A 76 -4.019 -11.399 -3.485 1.00 24.13 N ATOM 1196 CA MET A 76 -5.055 -10.898 -4.377 1.00 43.11 C ATOM 1197 C MET A 76 -4.424 -10.406 -5.680 1.00 43.10 C ATOM 1198 O MET A 76 -4.827 -10.814 -6.773 1.00 10.03 O ATOM 1199 CB MET A 76 -5.809 -9.755 -3.677 1.00 31.40 C ATOM 1200 CG MET A 76 -7.170 -9.419 -4.270 1.00 35.34 C ATOM 1201 SD MET A 76 -7.081 -8.699 -5.915 1.00 43.42 S ATOM 1202 CE MET A 76 -6.135 -7.210 -5.588 1.00 43.31 C ATOM 0 H MET A 76 -3.998 -10.942 -2.573 1.00 24.13 H new ATOM 0 HA MET A 76 -5.757 -11.697 -4.616 1.00 43.11 H new ATOM 0 HB2 MET A 76 -5.942 -10.018 -2.628 1.00 31.40 H new ATOM 0 HB3 MET A 76 -5.187 -8.860 -3.705 1.00 31.40 H new ATOM 0 HG2 MET A 76 -7.773 -10.326 -4.312 1.00 35.34 H new ATOM 0 HG3 MET A 76 -7.685 -8.725 -3.606 1.00 35.34 H new ATOM 0 HE1 MET A 76 -6.250 -6.516 -6.421 1.00 43.31 H new ATOM 0 HE2 MET A 76 -6.498 -6.742 -4.673 1.00 43.31 H new ATOM 0 HE3 MET A 76 -5.082 -7.466 -5.472 1.00 43.31 H new ATOM 1212 N VAL A 77 -3.408 -9.556 -5.553 1.00 75.11 N ATOM 1213 CA VAL A 77 -2.709 -9.011 -6.711 1.00 24.33 C ATOM 1214 C VAL A 77 -1.938 -10.104 -7.446 1.00 52.11 C ATOM 1215 O VAL A 77 -1.914 -10.134 -8.677 1.00 61.35 O ATOM 1216 CB VAL A 77 -1.736 -7.881 -6.314 1.00 30.14 C ATOM 1217 CG1 VAL A 77 -0.997 -7.350 -7.533 1.00 43.04 C ATOM 1218 CG2 VAL A 77 -2.478 -6.755 -5.609 1.00 21.43 C ATOM 0 H VAL A 77 -3.050 -9.229 -4.655 1.00 75.11 H new ATOM 0 HA VAL A 77 -3.470 -8.596 -7.372 1.00 24.33 H new ATOM 0 HB VAL A 77 -1.002 -8.295 -5.623 1.00 30.14 H new ATOM 0 HG11 VAL A 77 -0.317 -6.554 -7.228 1.00 43.04 H new ATOM 0 HG12 VAL A 77 -0.428 -8.157 -7.994 1.00 43.04 H new ATOM 0 HG13 VAL A 77 -1.716 -6.957 -8.252 1.00 43.04 H new ATOM 0 HG21 VAL A 77 -1.773 -5.969 -5.338 1.00 21.43 H new ATOM 0 HG22 VAL A 77 -3.238 -6.347 -6.275 1.00 21.43 H new ATOM 0 HG23 VAL A 77 -2.955 -7.141 -4.708 1.00 21.43 H new ATOM 1228 N MET A 78 -1.317 -11.002 -6.687 1.00 64.32 N ATOM 1229 CA MET A 78 -0.586 -12.125 -7.271 1.00 34.43 C ATOM 1230 C MET A 78 -1.495 -12.935 -8.185 1.00 40.24 C ATOM 1231 O MET A 78 -1.118 -13.288 -9.300 1.00 51.42 O ATOM 1232 CB MET A 78 -0.012 -13.036 -6.182 1.00 31.12 C ATOM 1233 CG MET A 78 1.114 -12.410 -5.379 1.00 41.34 C ATOM 1234 SD MET A 78 2.524 -11.948 -6.402 1.00 41.32 S ATOM 1235 CE MET A 78 3.669 -11.384 -5.149 1.00 43.34 C ATOM 0 H MET A 78 -1.305 -10.975 -5.667 1.00 64.32 H new ATOM 0 HA MET A 78 0.239 -11.715 -7.854 1.00 34.43 H new ATOM 0 HB2 MET A 78 -0.814 -13.320 -5.501 1.00 31.12 H new ATOM 0 HB3 MET A 78 0.353 -13.953 -6.645 1.00 31.12 H new ATOM 0 HG2 MET A 78 0.739 -11.526 -4.863 1.00 41.34 H new ATOM 0 HG3 MET A 78 1.441 -13.112 -4.612 1.00 41.34 H new ATOM 0 HE1 MET A 78 4.395 -10.706 -5.598 1.00 43.34 H new ATOM 0 HE2 MET A 78 3.122 -10.862 -4.364 1.00 43.34 H new ATOM 0 HE3 MET A 78 4.189 -12.240 -4.720 1.00 43.34 H new ATOM 1245 N ASP A 79 -2.700 -13.209 -7.705 1.00 24.34 N ATOM 1246 CA ASP A 79 -3.688 -13.957 -8.477 1.00 3.53 C ATOM 1247 C ASP A 79 -4.095 -13.183 -9.730 1.00 51.11 C ATOM 1248 O ASP A 79 -4.361 -13.770 -10.783 1.00 52.42 O ATOM 1249 CB ASP A 79 -4.916 -14.254 -7.614 1.00 73.12 C ATOM 1250 CG ASP A 79 -5.977 -15.041 -8.357 1.00 54.44 C ATOM 1251 OD1 ASP A 79 -5.761 -16.243 -8.619 1.00 41.12 O ATOM 1252 OD2 ASP A 79 -7.034 -14.458 -8.682 1.00 3.21 O ATOM 0 H ASP A 79 -3.020 -12.924 -6.780 1.00 24.34 H new ATOM 0 HA ASP A 79 -3.239 -14.900 -8.789 1.00 3.53 H new ATOM 0 HB2 ASP A 79 -4.607 -14.813 -6.730 1.00 73.12 H new ATOM 0 HB3 ASP A 79 -5.345 -13.315 -7.264 1.00 73.12 H new ATOM 1257 N ILE A 80 -4.129 -11.862 -9.613 1.00 21.55 N ATOM 1258 CA ILE A 80 -4.452 -10.997 -10.742 1.00 62.14 C ATOM 1259 C ILE A 80 -3.341 -11.036 -11.790 1.00 74.12 C ATOM 1260 O ILE A 80 -3.609 -11.195 -12.984 1.00 42.20 O ATOM 1261 CB ILE A 80 -4.698 -9.538 -10.288 1.00 64.41 C ATOM 1262 CG1 ILE A 80 -5.999 -9.441 -9.491 1.00 74.24 C ATOM 1263 CG2 ILE A 80 -4.733 -8.593 -11.480 1.00 31.34 C ATOM 1264 CD1 ILE A 80 -6.375 -8.024 -9.115 1.00 14.44 C ATOM 0 H ILE A 80 -3.936 -11.364 -8.744 1.00 21.55 H new ATOM 0 HA ILE A 80 -5.373 -11.375 -11.187 1.00 62.14 H new ATOM 0 HB ILE A 80 -3.870 -9.239 -9.645 1.00 64.41 H new ATOM 0 HG12 ILE A 80 -6.807 -9.879 -10.076 1.00 74.24 H new ATOM 0 HG13 ILE A 80 -5.904 -10.036 -8.583 1.00 74.24 H new ATOM 0 HG21 ILE A 80 -4.907 -7.575 -11.132 1.00 31.34 H new ATOM 0 HG22 ILE A 80 -3.781 -8.638 -12.008 1.00 31.34 H new ATOM 0 HG23 ILE A 80 -5.536 -8.888 -12.155 1.00 31.34 H new ATOM 0 HD11 ILE A 80 -7.308 -8.032 -8.552 1.00 14.44 H new ATOM 0 HD12 ILE A 80 -5.585 -7.588 -8.503 1.00 14.44 H new ATOM 0 HD13 ILE A 80 -6.503 -7.429 -10.019 1.00 14.44 H new ATOM 1276 N LEU A 81 -2.097 -10.901 -11.342 1.00 70.42 N ATOM 1277 CA LEU A 81 -0.946 -10.967 -12.240 1.00 51.34 C ATOM 1278 C LEU A 81 -0.836 -12.350 -12.863 1.00 13.45 C ATOM 1279 O LEU A 81 -0.453 -12.493 -14.021 1.00 70.54 O ATOM 1280 CB LEU A 81 0.343 -10.633 -11.491 1.00 41.25 C ATOM 1281 CG LEU A 81 0.419 -9.215 -10.930 1.00 55.04 C ATOM 1282 CD1 LEU A 81 1.702 -9.027 -10.151 1.00 53.10 C ATOM 1283 CD2 LEU A 81 0.331 -8.188 -12.045 1.00 21.01 C ATOM 0 H LEU A 81 -1.859 -10.745 -10.363 1.00 70.42 H new ATOM 0 HA LEU A 81 -1.092 -10.232 -13.031 1.00 51.34 H new ATOM 0 HB2 LEU A 81 0.460 -11.339 -10.669 1.00 41.25 H new ATOM 0 HB3 LEU A 81 1.186 -10.786 -12.165 1.00 41.25 H new ATOM 0 HG LEU A 81 -0.428 -9.069 -10.259 1.00 55.04 H new ATOM 0 HD11 LEU A 81 1.743 -8.012 -9.757 1.00 53.10 H new ATOM 0 HD12 LEU A 81 1.734 -9.738 -9.326 1.00 53.10 H new ATOM 0 HD13 LEU A 81 2.555 -9.196 -10.808 1.00 53.10 H new ATOM 0 HD21 LEU A 81 0.387 -7.185 -11.621 1.00 21.01 H new ATOM 0 HD22 LEU A 81 1.157 -8.335 -12.741 1.00 21.01 H new ATOM 0 HD23 LEU A 81 -0.615 -8.306 -12.574 1.00 21.01 H new ATOM 1295 N ASN A 82 -1.181 -13.365 -12.080 1.00 70.14 N ATOM 1296 CA ASN A 82 -1.222 -14.739 -12.563 1.00 1.01 C ATOM 1297 C ASN A 82 -2.211 -14.859 -13.723 1.00 23.33 C ATOM 1298 O ASN A 82 -2.004 -15.629 -14.661 1.00 42.13 O ATOM 1299 CB ASN A 82 -1.621 -15.678 -11.417 1.00 30.53 C ATOM 1300 CG ASN A 82 -1.614 -17.144 -11.810 1.00 53.33 C ATOM 1301 OD1 ASN A 82 -0.845 -17.567 -12.671 1.00 74.11 O ATOM 1302 ND2 ASN A 82 -2.471 -17.930 -11.175 1.00 74.14 N ATOM 0 H ASN A 82 -1.439 -13.260 -11.099 1.00 70.14 H new ATOM 0 HA ASN A 82 -0.233 -15.023 -12.923 1.00 1.01 H new ATOM 0 HB2 ASN A 82 -0.937 -15.530 -10.581 1.00 30.53 H new ATOM 0 HB3 ASN A 82 -2.617 -15.408 -11.066 1.00 30.53 H new ATOM 0 HD21 ASN A 82 -2.509 -18.925 -11.395 1.00 74.14 H new ATOM 0 HD22 ASN A 82 -3.093 -17.540 -10.467 1.00 74.14 H new ATOM 1309 N PHE A 83 -3.281 -14.078 -13.648 1.00 42.13 N ATOM 1310 CA PHE A 83 -4.292 -14.050 -14.696 1.00 53.23 C ATOM 1311 C PHE A 83 -3.803 -13.268 -15.914 1.00 2.43 C ATOM 1312 O PHE A 83 -3.898 -13.750 -17.043 1.00 44.35 O ATOM 1313 CB PHE A 83 -5.593 -13.445 -14.157 1.00 72.13 C ATOM 1314 CG PHE A 83 -6.646 -13.230 -15.208 1.00 2.21 C ATOM 1315 CD1 PHE A 83 -7.254 -14.307 -15.831 1.00 43.01 C ATOM 1316 CD2 PHE A 83 -7.026 -11.948 -15.572 1.00 72.44 C ATOM 1317 CE1 PHE A 83 -8.219 -14.111 -16.800 1.00 31.54 C ATOM 1318 CE2 PHE A 83 -7.992 -11.745 -16.538 1.00 44.23 C ATOM 1319 CZ PHE A 83 -8.588 -12.827 -17.153 1.00 53.44 C ATOM 0 H PHE A 83 -3.471 -13.451 -12.866 1.00 42.13 H new ATOM 0 HA PHE A 83 -4.483 -15.075 -15.013 1.00 53.23 H new ATOM 0 HB2 PHE A 83 -5.994 -14.100 -13.384 1.00 72.13 H new ATOM 0 HB3 PHE A 83 -5.368 -12.490 -13.681 1.00 72.13 H new ATOM 0 HD1 PHE A 83 -6.970 -15.312 -15.556 1.00 43.01 H new ATOM 0 HD2 PHE A 83 -6.561 -11.098 -15.095 1.00 72.44 H new ATOM 0 HE1 PHE A 83 -8.684 -14.959 -17.280 1.00 31.54 H new ATOM 0 HE2 PHE A 83 -8.281 -10.741 -16.812 1.00 44.23 H new ATOM 0 HZ PHE A 83 -9.342 -12.670 -17.910 1.00 53.44 H new ATOM 1329 N TYR A 84 -3.289 -12.063 -15.681 1.00 52.12 N ATOM 1330 CA TYR A 84 -2.819 -11.207 -16.768 1.00 60.02 C ATOM 1331 C TYR A 84 -1.560 -11.765 -17.417 1.00 52.12 C ATOM 1332 O TYR A 84 -1.607 -12.335 -18.511 1.00 34.12 O ATOM 1333 CB TYR A 84 -2.530 -9.786 -16.272 1.00 55.41 C ATOM 1334 CG TYR A 84 -3.755 -8.945 -16.005 1.00 13.02 C ATOM 1335 CD1 TYR A 84 -4.778 -8.851 -16.939 1.00 15.42 C ATOM 1336 CD2 TYR A 84 -3.874 -8.223 -14.826 1.00 21.34 C ATOM 1337 CE1 TYR A 84 -5.887 -8.061 -16.704 1.00 4.33 C ATOM 1338 CE2 TYR A 84 -4.982 -7.436 -14.583 1.00 31.53 C ATOM 1339 CZ TYR A 84 -5.985 -7.357 -15.524 1.00 20.13 C ATOM 1340 OH TYR A 84 -7.086 -6.565 -15.283 1.00 23.25 O ATOM 0 H TYR A 84 -3.187 -11.657 -14.751 1.00 52.12 H new ATOM 0 HA TYR A 84 -3.619 -11.178 -17.507 1.00 60.02 H new ATOM 0 HB2 TYR A 84 -1.943 -9.849 -15.355 1.00 55.41 H new ATOM 0 HB3 TYR A 84 -1.912 -9.277 -17.012 1.00 55.41 H new ATOM 0 HD1 TYR A 84 -4.706 -9.404 -17.864 1.00 15.42 H new ATOM 0 HD2 TYR A 84 -3.088 -8.278 -14.087 1.00 21.34 H new ATOM 0 HE1 TYR A 84 -6.673 -7.996 -17.442 1.00 4.33 H new ATOM 0 HE2 TYR A 84 -5.062 -6.884 -13.658 1.00 31.53 H new ATOM 0 HH TYR A 84 -6.997 -6.140 -14.405 1.00 23.25 H new ATOM 1350 N ASN A 85 -0.439 -11.603 -16.734 1.00 50.15 N ATOM 1351 CA ASN A 85 0.856 -11.952 -17.290 1.00 21.15 C ATOM 1352 C ASN A 85 1.763 -12.582 -16.241 1.00 64.05 C ATOM 1353 O ASN A 85 2.382 -11.899 -15.425 1.00 5.00 O ATOM 1354 CB ASN A 85 1.525 -10.720 -17.918 1.00 45.13 C ATOM 1355 CG ASN A 85 1.318 -9.430 -17.130 1.00 54.05 C ATOM 1356 OD1 ASN A 85 1.177 -9.432 -15.905 1.00 71.33 O ATOM 1357 ND2 ASN A 85 1.292 -8.309 -17.839 1.00 71.34 N ATOM 0 H ASN A 85 -0.401 -11.229 -15.786 1.00 50.15 H new ATOM 0 HA ASN A 85 0.692 -12.694 -18.072 1.00 21.15 H new ATOM 0 HB2 ASN A 85 2.594 -10.909 -18.011 1.00 45.13 H new ATOM 0 HB3 ASN A 85 1.136 -10.583 -18.927 1.00 45.13 H new ATOM 0 HD21 ASN A 85 1.152 -7.413 -17.372 1.00 71.34 H new ATOM 0 HD22 ASN A 85 1.412 -8.343 -18.851 1.00 71.34 H new ATOM 1364 N LYS A 86 1.845 -13.903 -16.272 1.00 71.11 N ATOM 1365 CA LYS A 86 2.686 -14.636 -15.334 1.00 1.31 C ATOM 1366 C LYS A 86 4.135 -14.639 -15.808 1.00 24.43 C ATOM 1367 O LYS A 86 4.992 -15.298 -15.219 1.00 5.44 O ATOM 1368 CB LYS A 86 2.189 -16.078 -15.138 1.00 52.34 C ATOM 1369 CG LYS A 86 2.332 -16.984 -16.360 1.00 21.31 C ATOM 1370 CD LYS A 86 1.326 -16.648 -17.452 1.00 22.15 C ATOM 1371 CE LYS A 86 -0.111 -16.768 -16.958 1.00 10.45 C ATOM 1372 NZ LYS A 86 -0.462 -18.160 -16.572 1.00 41.23 N ATOM 0 H LYS A 86 1.340 -14.491 -16.936 1.00 71.11 H new ATOM 0 HA LYS A 86 2.628 -14.128 -14.372 1.00 1.31 H new ATOM 0 HB2 LYS A 86 2.736 -16.525 -14.308 1.00 52.34 H new ATOM 0 HB3 LYS A 86 1.139 -16.048 -14.848 1.00 52.34 H new ATOM 0 HG2 LYS A 86 3.342 -16.894 -16.760 1.00 21.31 H new ATOM 0 HG3 LYS A 86 2.201 -18.023 -16.056 1.00 21.31 H new ATOM 0 HD2 LYS A 86 1.503 -15.634 -17.809 1.00 22.15 H new ATOM 0 HD3 LYS A 86 1.475 -17.316 -18.301 1.00 22.15 H new ATOM 0 HE2 LYS A 86 -0.254 -16.109 -16.102 1.00 10.45 H new ATOM 0 HE3 LYS A 86 -0.791 -16.428 -17.739 1.00 10.45 H new ATOM 0 HZ1 LYS A 86 -1.471 -18.208 -16.324 1.00 41.23 H new ATOM 0 HZ2 LYS A 86 -0.271 -18.800 -17.369 1.00 41.23 H new ATOM 0 HZ3 LYS A 86 0.110 -18.448 -15.752 1.00 41.23 H new ATOM 1386 N ASP A 87 4.403 -13.867 -16.853 1.00 44.33 N ATOM 1387 CA ASP A 87 5.743 -13.776 -17.418 1.00 30.50 C ATOM 1388 C ASP A 87 6.587 -12.839 -16.570 1.00 12.31 C ATOM 1389 O ASP A 87 7.812 -12.926 -16.554 1.00 2.43 O ATOM 1390 CB ASP A 87 5.678 -13.293 -18.871 1.00 23.11 C ATOM 1391 CG ASP A 87 7.040 -13.226 -19.537 1.00 4.22 C ATOM 1392 OD1 ASP A 87 7.695 -14.281 -19.675 1.00 1.13 O ATOM 1393 OD2 ASP A 87 7.451 -12.120 -19.946 1.00 64.24 O ATOM 0 H ASP A 87 3.707 -13.293 -17.328 1.00 44.33 H new ATOM 0 HA ASP A 87 6.205 -14.763 -17.415 1.00 30.50 H new ATOM 0 HB2 ASP A 87 5.034 -13.962 -19.442 1.00 23.11 H new ATOM 0 HB3 ASP A 87 5.217 -12.306 -18.899 1.00 23.11 H new ATOM 1398 N MET A 88 5.905 -11.940 -15.869 1.00 4.12 N ATOM 1399 CA MET A 88 6.544 -11.082 -14.879 1.00 33.22 C ATOM 1400 C MET A 88 6.238 -11.587 -13.472 1.00 3.52 C ATOM 1401 O MET A 88 6.942 -11.270 -12.513 1.00 71.21 O ATOM 1402 CB MET A 88 6.057 -9.637 -15.018 1.00 70.22 C ATOM 1403 CG MET A 88 4.540 -9.502 -15.033 1.00 23.34 C ATOM 1404 SD MET A 88 3.983 -7.807 -14.779 1.00 33.51 S ATOM 1405 CE MET A 88 4.346 -7.612 -13.040 1.00 35.21 C ATOM 0 H MET A 88 4.902 -11.786 -15.970 1.00 4.12 H new ATOM 0 HA MET A 88 7.620 -11.109 -15.050 1.00 33.22 H new ATOM 0 HB2 MET A 88 6.457 -9.047 -14.194 1.00 70.22 H new ATOM 0 HB3 MET A 88 6.460 -9.214 -15.938 1.00 70.22 H new ATOM 0 HG2 MET A 88 4.158 -9.865 -15.987 1.00 23.34 H new ATOM 0 HG3 MET A 88 4.116 -10.138 -14.256 1.00 23.34 H new ATOM 0 HE1 MET A 88 3.760 -6.786 -12.636 1.00 35.21 H new ATOM 0 HE2 MET A 88 4.092 -8.530 -12.510 1.00 35.21 H new ATOM 0 HE3 MET A 88 5.408 -7.401 -12.911 1.00 35.21 H new ATOM 1415 N TYR A 89 5.180 -12.386 -13.362 1.00 2.12 N ATOM 1416 CA TYR A 89 4.717 -12.883 -12.077 1.00 70.25 C ATOM 1417 C TYR A 89 5.643 -13.973 -11.534 1.00 62.05 C ATOM 1418 O TYR A 89 5.823 -14.091 -10.322 1.00 33.10 O ATOM 1419 CB TYR A 89 3.282 -13.398 -12.231 1.00 62.41 C ATOM 1420 CG TYR A 89 2.799 -14.256 -11.089 1.00 63.02 C ATOM 1421 CD1 TYR A 89 2.421 -13.697 -9.878 1.00 24.42 C ATOM 1422 CD2 TYR A 89 2.729 -15.631 -11.231 1.00 24.41 C ATOM 1423 CE1 TYR A 89 1.986 -14.492 -8.835 1.00 2.25 C ATOM 1424 CE2 TYR A 89 2.297 -16.434 -10.196 1.00 70.32 C ATOM 1425 CZ TYR A 89 1.926 -15.860 -8.999 1.00 45.21 C ATOM 1426 OH TYR A 89 1.499 -16.656 -7.962 1.00 32.20 O ATOM 0 H TYR A 89 4.625 -12.703 -14.157 1.00 2.12 H new ATOM 0 HA TYR A 89 4.732 -12.069 -11.352 1.00 70.25 H new ATOM 0 HB2 TYR A 89 2.612 -12.544 -12.336 1.00 62.41 H new ATOM 0 HB3 TYR A 89 3.213 -13.972 -13.155 1.00 62.41 H new ATOM 0 HD1 TYR A 89 2.467 -12.626 -9.748 1.00 24.42 H new ATOM 0 HD2 TYR A 89 3.018 -16.083 -12.168 1.00 24.41 H new ATOM 0 HE1 TYR A 89 1.695 -14.044 -7.896 1.00 2.25 H new ATOM 0 HE2 TYR A 89 2.250 -17.506 -10.323 1.00 70.32 H new ATOM 0 HH TYR A 89 1.515 -17.595 -8.242 1.00 32.20 H new ATOM 1436 N ASN A 90 6.249 -14.746 -12.434 1.00 72.31 N ATOM 1437 CA ASN A 90 7.140 -15.840 -12.032 1.00 42.33 C ATOM 1438 C ASN A 90 8.399 -15.321 -11.341 1.00 61.43 C ATOM 1439 O ASN A 90 9.081 -16.068 -10.640 1.00 53.43 O ATOM 1440 CB ASN A 90 7.534 -16.701 -13.237 1.00 45.43 C ATOM 1441 CG ASN A 90 6.677 -17.946 -13.376 1.00 40.02 C ATOM 1442 OD1 ASN A 90 6.983 -18.993 -12.798 1.00 51.54 O ATOM 1443 ND2 ASN A 90 5.607 -17.851 -14.152 1.00 73.15 N ATOM 0 H ASN A 90 6.142 -14.638 -13.443 1.00 72.31 H new ATOM 0 HA ASN A 90 6.585 -16.453 -11.321 1.00 42.33 H new ATOM 0 HB2 ASN A 90 7.451 -16.105 -14.146 1.00 45.43 H new ATOM 0 HB3 ASN A 90 8.580 -16.994 -13.142 1.00 45.43 H new ATOM 0 HD21 ASN A 90 5.003 -18.661 -14.289 1.00 73.15 H new ATOM 0 HD22 ASN A 90 5.388 -16.968 -14.613 1.00 73.15 H new ATOM 1450 N GLN A 91 8.711 -14.051 -11.554 1.00 31.21 N ATOM 1451 CA GLN A 91 9.856 -13.425 -10.903 1.00 51.32 C ATOM 1452 C GLN A 91 9.479 -12.948 -9.508 1.00 41.02 C ATOM 1453 O GLN A 91 10.265 -13.061 -8.568 1.00 14.42 O ATOM 1454 CB GLN A 91 10.373 -12.239 -11.726 1.00 41.02 C ATOM 1455 CG GLN A 91 11.131 -12.628 -12.986 1.00 34.00 C ATOM 1456 CD GLN A 91 10.271 -13.337 -14.011 1.00 22.33 C ATOM 1457 OE1 GLN A 91 9.066 -13.105 -14.100 1.00 71.25 O ATOM 1458 NE2 GLN A 91 10.888 -14.204 -14.788 1.00 32.02 N ATOM 0 H GLN A 91 8.188 -13.432 -12.173 1.00 31.21 H new ATOM 0 HA GLN A 91 10.646 -14.172 -10.828 1.00 51.32 H new ATOM 0 HB2 GLN A 91 9.527 -11.611 -12.005 1.00 41.02 H new ATOM 0 HB3 GLN A 91 11.026 -11.634 -11.097 1.00 41.02 H new ATOM 0 HG2 GLN A 91 11.556 -11.731 -13.437 1.00 34.00 H new ATOM 0 HG3 GLN A 91 11.966 -13.274 -12.714 1.00 34.00 H new ATOM 0 HE21 GLN A 91 11.889 -14.365 -14.679 1.00 32.02 H new ATOM 0 HE22 GLN A 91 10.364 -14.715 -15.499 1.00 32.02 H new ATOM 1467 N LEU A 92 8.264 -12.433 -9.383 1.00 52.35 N ATOM 1468 CA LEU A 92 7.800 -11.847 -8.133 1.00 4.44 C ATOM 1469 C LEU A 92 7.553 -12.920 -7.084 1.00 52.12 C ATOM 1470 O LEU A 92 8.220 -12.961 -6.050 1.00 64.34 O ATOM 1471 CB LEU A 92 6.527 -11.036 -8.374 1.00 60.04 C ATOM 1472 CG LEU A 92 6.646 -9.960 -9.456 1.00 64.25 C ATOM 1473 CD1 LEU A 92 5.341 -9.194 -9.593 1.00 24.54 C ATOM 1474 CD2 LEU A 92 7.796 -9.015 -9.142 1.00 2.30 C ATOM 0 H LEU A 92 7.578 -12.409 -10.137 1.00 52.35 H new ATOM 0 HA LEU A 92 8.579 -11.183 -7.758 1.00 4.44 H new ATOM 0 HB2 LEU A 92 5.724 -11.720 -8.649 1.00 60.04 H new ATOM 0 HB3 LEU A 92 6.234 -10.560 -7.438 1.00 60.04 H new ATOM 0 HG LEU A 92 6.855 -10.448 -10.408 1.00 64.25 H new ATOM 0 HD11 LEU A 92 5.445 -8.433 -10.367 1.00 24.54 H new ATOM 0 HD12 LEU A 92 4.542 -9.883 -9.866 1.00 24.54 H new ATOM 0 HD13 LEU A 92 5.099 -8.715 -8.644 1.00 24.54 H new ATOM 0 HD21 LEU A 92 7.867 -8.256 -9.921 1.00 2.30 H new ATOM 0 HD22 LEU A 92 7.618 -8.533 -8.181 1.00 2.30 H new ATOM 0 HD23 LEU A 92 8.728 -9.578 -9.099 1.00 2.30 H new ATOM 1486 N GLU A 93 6.599 -13.791 -7.353 1.00 53.10 N ATOM 1487 CA GLU A 93 6.315 -14.896 -6.457 1.00 2.21 C ATOM 1488 C GLU A 93 7.053 -16.131 -6.962 1.00 21.13 C ATOM 1489 O GLU A 93 6.453 -17.124 -7.374 1.00 22.02 O ATOM 1490 CB GLU A 93 4.803 -15.144 -6.363 1.00 33.12 C ATOM 1491 CG GLU A 93 4.382 -15.888 -5.104 1.00 44.14 C ATOM 1492 CD GLU A 93 4.728 -15.131 -3.833 1.00 32.42 C ATOM 1493 OE1 GLU A 93 5.894 -15.208 -3.388 1.00 14.23 O ATOM 1494 OE2 GLU A 93 3.838 -14.462 -3.265 1.00 73.42 O ATOM 0 H GLU A 93 6.008 -13.755 -8.184 1.00 53.10 H new ATOM 0 HA GLU A 93 6.661 -14.658 -5.451 1.00 2.21 H new ATOM 0 HB2 GLU A 93 4.284 -14.186 -6.399 1.00 33.12 H new ATOM 0 HB3 GLU A 93 4.482 -15.714 -7.235 1.00 33.12 H new ATOM 0 HG2 GLU A 93 3.307 -16.067 -5.135 1.00 44.14 H new ATOM 0 HG3 GLU A 93 4.867 -16.864 -5.084 1.00 44.14 H new ATOM 1501 N HIS A 94 8.376 -16.036 -6.951 1.00 55.12 N ATOM 1502 CA HIS A 94 9.233 -17.053 -7.543 1.00 52.02 C ATOM 1503 C HIS A 94 9.337 -18.284 -6.647 1.00 13.42 C ATOM 1504 O HIS A 94 10.159 -18.331 -5.734 1.00 72.32 O ATOM 1505 CB HIS A 94 10.624 -16.462 -7.802 1.00 11.22 C ATOM 1506 CG HIS A 94 11.514 -17.315 -8.657 1.00 3.11 C ATOM 1507 ND1 HIS A 94 11.437 -17.335 -10.032 1.00 61.02 N ATOM 1508 CD2 HIS A 94 12.518 -18.163 -8.329 1.00 62.52 C ATOM 1509 CE1 HIS A 94 12.352 -18.156 -10.513 1.00 55.24 C ATOM 1510 NE2 HIS A 94 13.022 -18.672 -9.500 1.00 72.14 N ATOM 0 H HIS A 94 8.883 -15.255 -6.533 1.00 55.12 H new ATOM 0 HA HIS A 94 8.790 -17.371 -8.487 1.00 52.02 H new ATOM 0 HB2 HIS A 94 10.508 -15.489 -8.279 1.00 11.22 H new ATOM 0 HB3 HIS A 94 11.116 -16.291 -6.845 1.00 11.22 H new ATOM 0 HD1 HIS A 94 10.775 -16.798 -10.592 1.00 61.02 H new ATOM 0 HD2 HIS A 94 12.859 -18.396 -7.331 1.00 62.52 H new ATOM 0 HE1 HIS A 94 12.523 -18.369 -11.558 1.00 55.24 H new ATOM 1519 N HIS A 95 8.482 -19.267 -6.901 1.00 13.14 N ATOM 1520 CA HIS A 95 8.521 -20.526 -6.164 1.00 25.22 C ATOM 1521 C HIS A 95 8.438 -21.702 -7.124 1.00 10.51 C ATOM 1522 O HIS A 95 7.425 -21.890 -7.800 1.00 32.34 O ATOM 1523 CB HIS A 95 7.373 -20.623 -5.153 1.00 15.50 C ATOM 1524 CG HIS A 95 7.326 -19.498 -4.166 1.00 75.04 C ATOM 1525 ND1 HIS A 95 8.217 -19.365 -3.123 1.00 31.43 N ATOM 1526 CD2 HIS A 95 6.488 -18.442 -4.076 1.00 71.21 C ATOM 1527 CE1 HIS A 95 7.926 -18.277 -2.435 1.00 25.21 C ATOM 1528 NE2 HIS A 95 6.882 -17.697 -2.996 1.00 2.32 N ATOM 0 H HIS A 95 7.752 -19.217 -7.612 1.00 13.14 H new ATOM 0 HA HIS A 95 9.466 -20.555 -5.621 1.00 25.22 H new ATOM 0 HB2 HIS A 95 6.428 -20.655 -5.695 1.00 15.50 H new ATOM 0 HB3 HIS A 95 7.461 -21.564 -4.610 1.00 15.50 H new ATOM 0 HD2 HIS A 95 5.660 -18.225 -4.734 1.00 71.21 H new ATOM 0 HE1 HIS A 95 8.453 -17.922 -1.562 1.00 25.21 H new ATOM 0 HE2 HIS A 95 6.440 -16.835 -2.677 1.00 2.32 H new ATOM 1537 N HIS A 96 9.511 -22.469 -7.206 1.00 73.40 N ATOM 1538 CA HIS A 96 9.536 -23.677 -8.020 1.00 53.15 C ATOM 1539 C HIS A 96 10.334 -24.760 -7.313 1.00 11.33 C ATOM 1540 O HIS A 96 11.517 -24.962 -7.593 1.00 53.42 O ATOM 1541 CB HIS A 96 10.125 -23.407 -9.411 1.00 45.24 C ATOM 1542 CG HIS A 96 9.187 -22.702 -10.341 1.00 60.43 C ATOM 1543 ND1 HIS A 96 8.313 -23.367 -11.173 1.00 21.42 N ATOM 1544 CD2 HIS A 96 8.985 -21.381 -10.567 1.00 41.42 C ATOM 1545 CE1 HIS A 96 7.614 -22.490 -11.868 1.00 14.41 C ATOM 1546 NE2 HIS A 96 8.002 -21.279 -11.520 1.00 61.51 N ATOM 0 H HIS A 96 10.384 -22.276 -6.715 1.00 73.40 H new ATOM 0 HA HIS A 96 8.508 -24.014 -8.155 1.00 53.15 H new ATOM 0 HB2 HIS A 96 11.030 -22.809 -9.302 1.00 45.24 H new ATOM 0 HB3 HIS A 96 10.421 -24.355 -9.860 1.00 45.24 H new ATOM 0 HD2 HIS A 96 9.501 -20.562 -10.087 1.00 41.42 H new ATOM 0 HE1 HIS A 96 6.853 -22.724 -12.598 1.00 14.41 H new ATOM 0 HE2 HIS A 96 7.632 -20.407 -11.898 1.00 61.51 H new ATOM 1555 N HIS A 97 9.689 -25.435 -6.371 1.00 20.34 N ATOM 1556 CA HIS A 97 10.353 -26.461 -5.574 1.00 65.22 C ATOM 1557 C HIS A 97 10.480 -27.752 -6.375 1.00 51.01 C ATOM 1558 O HIS A 97 9.511 -28.228 -6.963 1.00 62.33 O ATOM 1559 CB HIS A 97 9.604 -26.706 -4.249 1.00 13.41 C ATOM 1560 CG HIS A 97 8.227 -27.282 -4.402 1.00 4.41 C ATOM 1561 ND1 HIS A 97 7.935 -28.609 -4.175 1.00 30.52 N ATOM 1562 CD2 HIS A 97 7.059 -26.700 -4.753 1.00 2.52 C ATOM 1563 CE1 HIS A 97 6.651 -28.816 -4.386 1.00 64.44 C ATOM 1564 NE2 HIS A 97 6.095 -27.674 -4.739 1.00 62.34 N ATOM 0 H HIS A 97 8.706 -25.291 -6.139 1.00 20.34 H new ATOM 0 HA HIS A 97 11.354 -26.108 -5.326 1.00 65.22 H new ATOM 0 HB2 HIS A 97 10.198 -27.380 -3.631 1.00 13.41 H new ATOM 0 HB3 HIS A 97 9.530 -25.762 -3.710 1.00 13.41 H new ATOM 0 HD1 HIS A 97 8.608 -29.320 -3.888 1.00 30.52 H new ATOM 0 HD2 HIS A 97 6.912 -25.659 -4.999 1.00 2.52 H new ATOM 0 HE1 HIS A 97 6.140 -29.762 -4.286 1.00 64.44 H new ATOM 1573 N HIS A 98 11.678 -28.308 -6.408 1.00 44.31 N ATOM 1574 CA HIS A 98 11.938 -29.492 -7.214 1.00 5.54 C ATOM 1575 C HIS A 98 11.674 -30.769 -6.430 1.00 35.51 C ATOM 1576 O HIS A 98 11.348 -31.805 -7.009 1.00 31.33 O ATOM 1577 CB HIS A 98 13.372 -29.480 -7.744 1.00 35.44 C ATOM 1578 CG HIS A 98 13.625 -28.410 -8.762 1.00 11.11 C ATOM 1579 ND1 HIS A 98 13.264 -28.533 -10.086 1.00 75.40 N ATOM 1580 CD2 HIS A 98 14.200 -27.191 -8.643 1.00 30.44 C ATOM 1581 CE1 HIS A 98 13.610 -27.440 -10.738 1.00 65.25 C ATOM 1582 NE2 HIS A 98 14.179 -26.611 -9.886 1.00 54.53 N ATOM 0 H HIS A 98 12.485 -27.962 -5.889 1.00 44.31 H new ATOM 0 HA HIS A 98 11.252 -29.471 -8.060 1.00 5.54 H new ATOM 0 HB2 HIS A 98 14.058 -29.345 -6.908 1.00 35.44 H new ATOM 0 HB3 HIS A 98 13.596 -30.451 -8.186 1.00 35.44 H new ATOM 0 HD2 HIS A 98 14.600 -26.756 -7.739 1.00 30.44 H new ATOM 0 HE1 HIS A 98 13.454 -27.256 -11.791 1.00 65.25 H new ATOM 0 HE2 HIS A 98 14.545 -25.687 -10.114 1.00 54.53 H new ATOM 1591 N HIS A 99 11.804 -30.697 -5.115 1.00 0.41 N ATOM 1592 CA HIS A 99 11.559 -31.857 -4.266 1.00 3.11 C ATOM 1593 C HIS A 99 10.255 -31.697 -3.499 1.00 53.20 C ATOM 1594 O HIS A 99 9.596 -30.659 -3.597 1.00 40.00 O ATOM 1595 CB HIS A 99 12.716 -32.068 -3.284 1.00 32.23 C ATOM 1596 CG HIS A 99 13.978 -32.566 -3.923 1.00 51.13 C ATOM 1597 ND1 HIS A 99 15.225 -32.063 -3.622 1.00 75.13 N ATOM 1598 CD2 HIS A 99 14.183 -33.550 -4.828 1.00 12.34 C ATOM 1599 CE1 HIS A 99 16.141 -32.715 -4.313 1.00 30.13 C ATOM 1600 NE2 HIS A 99 15.532 -33.623 -5.053 1.00 73.20 N ATOM 0 H HIS A 99 12.076 -29.853 -4.612 1.00 0.41 H new ATOM 0 HA HIS A 99 11.483 -32.732 -4.912 1.00 3.11 H new ATOM 0 HB2 HIS A 99 12.925 -31.126 -2.778 1.00 32.23 H new ATOM 0 HB3 HIS A 99 12.404 -32.779 -2.519 1.00 32.23 H new ATOM 0 HD2 HIS A 99 13.423 -34.165 -5.288 1.00 12.34 H new ATOM 0 HE1 HIS A 99 17.206 -32.536 -4.279 1.00 30.13 H new ATOM 0 HE2 HIS A 99 15.992 -34.274 -5.690 1.00 73.20 H new TER 1609 HIS A 99