USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 105 LYS NZ :NH3+ 180:sc= 0.931 (180deg=0) USER MOD Set 1.2: A 109 SER OG : rot -107:sc= 0.806 USER MOD Single : A 0 GLY N :NH3+ -111:sc= 0.0606 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -172:sc= -0.726 (180deg=-0.845) USER MOD Single : A 26 GLN : amide:sc= 1.35 K(o=1.4,f=-6.2!) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0.405) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= 0.693 (180deg=0.511) USER MOD Single : A 38 CYS SG : rot 82:sc= 0.269 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 46 HIS : no HD1:sc= -0.745 K(o=-0.74,f=-0.14) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.91 K(o=0.91,f=-0.15) USER MOD Single : A 53 HIS : no HE2:sc= -1.04 X(o=-1,f=-0.73) USER MOD Single : A 56 SER OG : rot -104:sc= 0.372 USER MOD Single : A 57 SER OG : rot -61:sc= 0.0413 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0146) USER MOD Single : A 65 ASN : amide:sc= 1.14 K(o=1.1,f=-0.35) USER MOD Single : A 67 ASN : amide:sc= 0.505 K(o=0.51,f=-1) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0.709 (180deg=0.641) USER MOD Single : A 71 ASN : amide:sc= 0.682 K(o=0.68,f=-3.3!) USER MOD Single : A 73 THR OG1 : rot 71:sc= 1.62 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0587 USER MOD Single : A 83 GLN : amide:sc= 0.39 X(o=0.39,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.665 K(o=0.66,f=0) USER MOD Single : A 86 GLN : amide:sc= 0.498 K(o=0.5,f=-1.6) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 89 HIS : no HD1:sc= 1 K(o=1,f=-3.3!) USER MOD Single : A 93 GLN : amide:sc= 0.104 K(o=0.1,f=-4.2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -135:sc= 0.707 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -1.594 -10.593 -30.145 1.00 0.00 N ATOM 2 CA GLY A 0 -0.243 -9.992 -30.097 1.00 0.00 C ATOM 3 C GLY A 0 0.557 -10.483 -28.897 1.00 0.00 C ATOM 4 O GLY A 0 -0.008 -11.003 -27.932 1.00 0.00 O ATOM 0 H1 GLY A 0 -1.654 -11.247 -30.951 1.00 0.00 H new ATOM 0 H2 GLY A 0 -1.774 -11.113 -29.263 1.00 0.00 H new ATOM 0 H3 GLY A 0 -2.305 -9.842 -30.255 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.294 -10.233 -31.014 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.330 -8.906 -30.055 1.00 0.00 H new ATOM 10 N MET A 1 1.883 -10.323 -28.943 1.00 0.00 N ATOM 11 CA MET A 1 2.802 -10.710 -27.857 1.00 0.00 C ATOM 12 C MET A 1 2.655 -9.816 -26.603 1.00 0.00 C ATOM 13 O MET A 1 2.324 -8.630 -26.736 1.00 0.00 O ATOM 14 CB MET A 1 4.256 -10.681 -28.363 1.00 0.00 C ATOM 15 CG MET A 1 4.541 -11.756 -29.420 1.00 0.00 C ATOM 16 SD MET A 1 4.452 -13.463 -28.807 1.00 0.00 S ATOM 17 CE MET A 1 4.840 -14.355 -30.337 1.00 0.00 C ATOM 0 H MET A 1 2.360 -9.915 -29.747 1.00 0.00 H new ATOM 0 HA MET A 1 2.536 -11.723 -27.557 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.469 -9.699 -28.784 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.932 -10.820 -27.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.830 -11.640 -30.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.534 -11.584 -29.835 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.830 -15.428 -30.145 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.096 -14.115 -31.097 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.828 -14.059 -30.690 1.00 0.00 H new ATOM 27 N PRO A 2 2.911 -10.343 -25.387 1.00 0.00 N ATOM 28 CA PRO A 2 2.866 -9.571 -24.141 1.00 0.00 C ATOM 29 C PRO A 2 3.991 -8.513 -24.047 1.00 0.00 C ATOM 30 O PRO A 2 5.016 -8.638 -24.730 1.00 0.00 O ATOM 31 CB PRO A 2 2.976 -10.614 -23.020 1.00 0.00 C ATOM 32 CG PRO A 2 3.787 -11.736 -23.662 1.00 0.00 C ATOM 33 CD PRO A 2 3.289 -11.724 -25.105 1.00 0.00 C ATOM 0 HA PRO A 2 1.945 -8.991 -24.076 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.477 -10.208 -22.141 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.995 -10.961 -22.696 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.859 -11.547 -23.602 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.605 -12.696 -23.178 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.067 -12.063 -25.789 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.439 -12.395 -25.230 1.00 0.00 H new ATOM 41 N PRO A 3 3.841 -7.478 -23.192 1.00 0.00 N ATOM 42 CA PRO A 3 4.876 -6.467 -22.956 1.00 0.00 C ATOM 43 C PRO A 3 6.142 -7.057 -22.290 1.00 0.00 C ATOM 44 O PRO A 3 6.060 -8.083 -21.603 1.00 0.00 O ATOM 45 CB PRO A 3 4.211 -5.402 -22.073 1.00 0.00 C ATOM 46 CG PRO A 3 3.147 -6.190 -21.311 1.00 0.00 C ATOM 47 CD PRO A 3 2.684 -7.216 -22.344 1.00 0.00 C ATOM 0 HA PRO A 3 5.233 -6.047 -23.896 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.928 -4.936 -21.397 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.770 -4.603 -22.669 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.557 -6.668 -20.421 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.329 -5.550 -20.981 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.339 -8.130 -21.860 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.849 -6.831 -22.930 1.00 0.00 H new ATOM 55 N PRO A 4 7.318 -6.420 -22.463 1.00 0.00 N ATOM 56 CA PRO A 4 8.587 -6.901 -21.912 1.00 0.00 C ATOM 57 C PRO A 4 8.649 -6.818 -20.378 1.00 0.00 C ATOM 58 O PRO A 4 8.074 -5.919 -19.756 1.00 0.00 O ATOM 59 CB PRO A 4 9.671 -6.041 -22.571 1.00 0.00 C ATOM 60 CG PRO A 4 8.945 -4.729 -22.865 1.00 0.00 C ATOM 61 CD PRO A 4 7.537 -5.197 -23.225 1.00 0.00 C ATOM 0 HA PRO A 4 8.720 -7.961 -22.127 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.523 -5.890 -21.908 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.053 -6.503 -23.482 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.942 -4.065 -22.000 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.412 -4.183 -23.685 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.796 -4.439 -22.970 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.448 -5.382 -24.295 1.00 0.00 H new ATOM 69 N ALA A 5 9.390 -7.747 -19.767 1.00 0.00 N ATOM 70 CA ALA A 5 9.618 -7.829 -18.323 1.00 0.00 C ATOM 71 C ALA A 5 10.650 -6.786 -17.836 1.00 0.00 C ATOM 72 O ALA A 5 11.779 -7.115 -17.462 1.00 0.00 O ATOM 73 CB ALA A 5 10.002 -9.275 -17.976 1.00 0.00 C ATOM 0 H ALA A 5 9.864 -8.488 -20.283 1.00 0.00 H new ATOM 0 HA ALA A 5 8.703 -7.576 -17.788 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.176 -9.358 -16.903 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.193 -9.946 -18.265 1.00 0.00 H new ATOM 0 HB3 ALA A 5 10.910 -9.549 -18.513 1.00 0.00 H new ATOM 79 N ASP A 6 10.255 -5.509 -17.836 1.00 0.00 N ATOM 80 CA ASP A 6 11.025 -4.370 -17.311 1.00 0.00 C ATOM 81 C ASP A 6 11.019 -4.356 -15.767 1.00 0.00 C ATOM 82 O ASP A 6 10.411 -3.501 -15.119 1.00 0.00 O ATOM 83 CB ASP A 6 10.515 -3.053 -17.926 1.00 0.00 C ATOM 84 CG ASP A 6 10.671 -2.960 -19.457 1.00 0.00 C ATOM 85 OD1 ASP A 6 11.593 -3.584 -20.034 1.00 0.00 O ATOM 86 OD2 ASP A 6 9.876 -2.219 -20.083 1.00 0.00 O ATOM 0 H ASP A 6 9.352 -5.226 -18.217 1.00 0.00 H new ATOM 0 HA ASP A 6 12.068 -4.480 -17.608 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.462 -2.932 -17.673 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.050 -2.221 -17.468 1.00 0.00 H new ATOM 91 N ILE A 7 11.671 -5.359 -15.176 1.00 0.00 N ATOM 92 CA ILE A 7 11.763 -5.594 -13.727 1.00 0.00 C ATOM 93 C ILE A 7 13.182 -5.283 -13.221 1.00 0.00 C ATOM 94 O ILE A 7 14.170 -5.667 -13.852 1.00 0.00 O ATOM 95 CB ILE A 7 11.324 -7.040 -13.381 1.00 0.00 C ATOM 96 CG1 ILE A 7 9.940 -7.368 -13.998 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.316 -7.249 -11.856 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.369 -8.747 -13.652 1.00 0.00 C ATOM 0 H ILE A 7 12.173 -6.064 -15.716 1.00 0.00 H new ATOM 0 HA ILE A 7 11.080 -4.918 -13.214 1.00 0.00 H new ATOM 0 HB ILE A 7 12.048 -7.729 -13.816 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.229 -6.609 -13.673 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.018 -7.289 -15.082 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.006 -8.269 -11.630 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.317 -7.078 -11.460 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.620 -6.548 -11.396 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.400 -8.871 -14.135 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.051 -9.522 -14.003 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.249 -8.831 -12.572 1.00 0.00 H new ATOM 110 N VAL A 8 13.287 -4.617 -12.066 1.00 0.00 N ATOM 111 CA VAL A 8 14.549 -4.243 -11.401 1.00 0.00 C ATOM 112 C VAL A 8 14.526 -4.606 -9.913 1.00 0.00 C ATOM 113 O VAL A 8 13.549 -4.341 -9.212 1.00 0.00 O ATOM 114 CB VAL A 8 14.871 -2.746 -11.598 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.287 -2.455 -13.044 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.735 -1.785 -11.218 1.00 0.00 C ATOM 0 H VAL A 8 12.466 -4.310 -11.545 1.00 0.00 H new ATOM 0 HA VAL A 8 15.345 -4.819 -11.873 1.00 0.00 H new ATOM 0 HB VAL A 8 15.693 -2.559 -10.907 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.508 -1.393 -13.152 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.175 -3.037 -13.291 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.475 -2.728 -13.718 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.055 -0.757 -11.390 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.858 -1.999 -11.828 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.485 -1.915 -10.165 1.00 0.00 H new ATOM 126 N LYS A 9 15.605 -5.214 -9.409 1.00 0.00 N ATOM 127 CA LYS A 9 15.784 -5.524 -7.981 1.00 0.00 C ATOM 128 C LYS A 9 16.222 -4.282 -7.201 1.00 0.00 C ATOM 129 O LYS A 9 17.014 -3.487 -7.707 1.00 0.00 O ATOM 130 CB LYS A 9 16.768 -6.696 -7.835 1.00 0.00 C ATOM 131 CG LYS A 9 16.758 -7.299 -6.421 1.00 0.00 C ATOM 132 CD LYS A 9 17.565 -8.603 -6.378 1.00 0.00 C ATOM 133 CE LYS A 9 17.434 -9.262 -5.000 1.00 0.00 C ATOM 134 NZ LYS A 9 18.144 -10.566 -4.952 1.00 0.00 N ATOM 0 H LYS A 9 16.391 -5.510 -9.987 1.00 0.00 H new ATOM 0 HA LYS A 9 14.832 -5.831 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.515 -7.471 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.775 -6.353 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.177 -6.584 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.731 -7.491 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.209 -9.285 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.614 -8.397 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.839 -8.597 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.380 -9.411 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.036 -10.986 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.740 -11.208 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.154 -10.419 -5.152 1.00 0.00 H new ATOM 148 N VAL A 10 15.737 -4.126 -5.972 1.00 0.00 N ATOM 149 CA VAL A 10 16.009 -2.986 -5.077 1.00 0.00 C ATOM 150 C VAL A 10 16.180 -3.442 -3.625 1.00 0.00 C ATOM 151 O VAL A 10 15.682 -4.501 -3.237 1.00 0.00 O ATOM 152 CB VAL A 10 14.905 -1.909 -5.172 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.804 -1.314 -6.582 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.521 -2.422 -4.752 1.00 0.00 C ATOM 0 H VAL A 10 15.117 -4.815 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 10 16.947 -2.541 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 10 15.210 -1.134 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.016 -0.561 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.754 -0.852 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.570 -2.105 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.792 -1.617 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.229 -3.250 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.558 -2.764 -3.718 1.00 0.00 H new ATOM 164 N ALA A 11 16.863 -2.629 -2.816 1.00 0.00 N ATOM 165 CA ALA A 11 17.004 -2.819 -1.369 1.00 0.00 C ATOM 166 C ALA A 11 16.339 -1.655 -0.618 1.00 0.00 C ATOM 167 O ALA A 11 16.762 -0.508 -0.757 1.00 0.00 O ATOM 168 CB ALA A 11 18.494 -2.948 -1.026 1.00 0.00 C ATOM 0 H ALA A 11 17.346 -1.798 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 11 16.500 -3.734 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.609 -3.090 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.916 -3.804 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.017 -2.042 -1.331 1.00 0.00 H new ATOM 174 N ILE A 12 15.287 -1.930 0.156 1.00 0.00 N ATOM 175 CA ILE A 12 14.466 -0.905 0.815 1.00 0.00 C ATOM 176 C ILE A 12 14.791 -0.843 2.309 1.00 0.00 C ATOM 177 O ILE A 12 14.702 -1.844 3.016 1.00 0.00 O ATOM 178 CB ILE A 12 12.962 -1.147 0.576 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.633 -1.306 -0.928 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.138 0.016 1.174 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.270 -1.953 -1.144 1.00 0.00 C ATOM 0 H ILE A 12 14.975 -2.882 0.347 1.00 0.00 H new ATOM 0 HA ILE A 12 14.708 0.061 0.372 1.00 0.00 H new ATOM 0 HB ILE A 12 12.696 -2.080 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.652 -0.328 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.403 -1.912 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.077 -0.163 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.325 0.081 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.431 0.952 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.077 -2.047 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.260 -2.942 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.497 -1.334 -0.689 1.00 0.00 H new ATOM 193 N GLU A 13 15.143 0.338 2.801 1.00 0.00 N ATOM 194 CA GLU A 13 15.410 0.611 4.217 1.00 0.00 C ATOM 195 C GLU A 13 14.138 1.028 4.983 1.00 0.00 C ATOM 196 O GLU A 13 13.286 1.757 4.462 1.00 0.00 O ATOM 197 CB GLU A 13 16.493 1.694 4.358 1.00 0.00 C ATOM 198 CG GLU A 13 17.820 1.338 3.673 1.00 0.00 C ATOM 199 CD GLU A 13 18.965 2.292 4.077 1.00 0.00 C ATOM 200 OE1 GLU A 13 20.097 1.809 4.324 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.754 3.529 4.143 1.00 0.00 O ATOM 0 H GLU A 13 15.256 1.162 2.211 1.00 0.00 H new ATOM 0 HA GLU A 13 15.767 -0.318 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.117 2.627 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.678 1.873 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.095 0.315 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.688 1.371 2.592 1.00 0.00 H new ATOM 208 N TRP A 14 14.044 0.606 6.248 1.00 0.00 N ATOM 209 CA TRP A 14 13.004 0.989 7.214 1.00 0.00 C ATOM 210 C TRP A 14 13.549 0.865 8.659 1.00 0.00 C ATOM 211 O TRP A 14 14.345 -0.050 8.910 1.00 0.00 O ATOM 212 CB TRP A 14 11.765 0.105 7.006 1.00 0.00 C ATOM 213 CG TRP A 14 10.621 0.357 7.939 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.243 -0.455 8.950 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.724 1.509 8.000 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.177 0.105 9.628 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.828 1.329 9.097 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.616 2.717 7.276 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.867 2.288 9.449 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.659 3.690 7.624 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.785 3.478 8.706 1.00 0.00 C ATOM 0 H TRP A 14 14.722 -0.043 6.647 1.00 0.00 H new ATOM 0 HA TRP A 14 12.717 2.029 7.055 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.412 0.241 5.984 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.066 -0.938 7.103 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.705 -1.401 9.192 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.707 -0.332 10.421 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.278 2.897 6.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.199 2.114 10.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.596 4.606 7.056 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.053 4.228 8.965 1.00 0.00 H new ATOM 232 N PRO A 15 13.183 1.742 9.621 1.00 0.00 N ATOM 233 CA PRO A 15 13.772 1.737 10.964 1.00 0.00 C ATOM 234 C PRO A 15 13.510 0.447 11.756 1.00 0.00 C ATOM 235 O PRO A 15 12.440 -0.161 11.663 1.00 0.00 O ATOM 236 CB PRO A 15 13.206 2.968 11.683 1.00 0.00 C ATOM 237 CG PRO A 15 12.842 3.904 10.533 1.00 0.00 C ATOM 238 CD PRO A 15 12.338 2.921 9.482 1.00 0.00 C ATOM 0 HA PRO A 15 14.858 1.776 10.885 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.335 2.716 12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.940 3.417 12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.077 4.625 10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.702 4.474 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.289 2.674 9.645 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.414 3.343 8.480 1.00 0.00 H new ATOM 246 N GLY A 16 14.490 0.036 12.569 1.00 0.00 N ATOM 247 CA GLY A 16 14.407 -1.153 13.431 1.00 0.00 C ATOM 248 C GLY A 16 14.474 -2.506 12.701 1.00 0.00 C ATOM 249 O GLY A 16 14.199 -3.538 13.316 1.00 0.00 O ATOM 0 H GLY A 16 15.380 0.528 12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.219 -1.111 14.157 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.474 -1.109 13.993 1.00 0.00 H new ATOM 253 N ALA A 17 14.828 -2.520 11.410 1.00 0.00 N ATOM 254 CA ALA A 17 14.894 -3.715 10.565 1.00 0.00 C ATOM 255 C ALA A 17 16.060 -3.666 9.558 1.00 0.00 C ATOM 256 O ALA A 17 16.541 -2.593 9.179 1.00 0.00 O ATOM 257 CB ALA A 17 13.545 -3.880 9.846 1.00 0.00 C ATOM 0 H ALA A 17 15.085 -1.669 10.909 1.00 0.00 H new ATOM 0 HA ALA A 17 15.088 -4.579 11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.577 -4.766 9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.750 -3.990 10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.350 -3.001 9.232 1.00 0.00 H new ATOM 263 N TYR A 18 16.497 -4.842 9.098 1.00 0.00 N ATOM 264 CA TYR A 18 17.442 -4.982 7.983 1.00 0.00 C ATOM 265 C TYR A 18 16.790 -4.578 6.639 1.00 0.00 C ATOM 266 O TYR A 18 15.566 -4.705 6.502 1.00 0.00 O ATOM 267 CB TYR A 18 17.953 -6.430 7.923 1.00 0.00 C ATOM 268 CG TYR A 18 18.660 -6.897 9.184 1.00 0.00 C ATOM 269 CD1 TYR A 18 19.962 -6.441 9.467 1.00 0.00 C ATOM 270 CD2 TYR A 18 18.015 -7.780 10.075 1.00 0.00 C ATOM 271 CE1 TYR A 18 20.619 -6.864 10.640 1.00 0.00 C ATOM 272 CE2 TYR A 18 18.670 -8.205 11.248 1.00 0.00 C ATOM 273 CZ TYR A 18 19.975 -7.747 11.534 1.00 0.00 C ATOM 274 OH TYR A 18 20.618 -8.151 12.664 1.00 0.00 O ATOM 0 H TYR A 18 16.202 -5.735 9.493 1.00 0.00 H new ATOM 0 HA TYR A 18 18.283 -4.309 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 18 17.110 -7.092 7.727 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.637 -6.527 7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.458 -5.766 8.784 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.017 -8.131 9.858 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.617 -6.512 10.855 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.174 -8.881 11.929 1.00 0.00 H new ATOM 0 HH TYR A 18 20.038 -8.756 13.172 1.00 0.00 H new ATOM 284 N PRO A 19 17.563 -4.129 5.627 1.00 0.00 N ATOM 285 CA PRO A 19 17.012 -3.748 4.325 1.00 0.00 C ATOM 286 C PRO A 19 16.277 -4.903 3.625 1.00 0.00 C ATOM 287 O PRO A 19 16.818 -6.002 3.473 1.00 0.00 O ATOM 288 CB PRO A 19 18.193 -3.231 3.492 1.00 0.00 C ATOM 289 CG PRO A 19 19.197 -2.784 4.554 1.00 0.00 C ATOM 290 CD PRO A 19 18.981 -3.799 5.675 1.00 0.00 C ATOM 0 HA PRO A 19 16.250 -2.978 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.605 -4.010 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.898 -2.406 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.220 -2.808 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.004 -1.765 4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.597 -4.686 5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.255 -3.380 6.643 1.00 0.00 H new ATOM 298 N LYS A 20 15.041 -4.650 3.180 1.00 0.00 N ATOM 299 CA LYS A 20 14.202 -5.603 2.441 1.00 0.00 C ATOM 300 C LYS A 20 14.598 -5.627 0.965 1.00 0.00 C ATOM 301 O LYS A 20 14.379 -4.653 0.245 1.00 0.00 O ATOM 302 CB LYS A 20 12.720 -5.237 2.655 1.00 0.00 C ATOM 303 CG LYS A 20 11.755 -6.119 1.848 1.00 0.00 C ATOM 304 CD LYS A 20 10.292 -5.864 2.251 1.00 0.00 C ATOM 305 CE LYS A 20 9.288 -6.604 1.351 1.00 0.00 C ATOM 306 NZ LYS A 20 9.429 -8.085 1.420 1.00 0.00 N ATOM 0 H LYS A 20 14.583 -3.751 3.328 1.00 0.00 H new ATOM 0 HA LYS A 20 14.355 -6.615 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.481 -5.324 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.567 -4.194 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.881 -5.920 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.000 -7.169 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.145 -6.176 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.090 -4.794 2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.275 -6.327 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.424 -6.279 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.728 -8.530 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.386 -8.357 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.272 -8.404 2.397 1.00 0.00 H new ATOM 320 N LEU A 21 15.166 -6.743 0.509 1.00 0.00 N ATOM 321 CA LEU A 21 15.396 -7.009 -0.912 1.00 0.00 C ATOM 322 C LEU A 21 14.073 -7.415 -1.582 1.00 0.00 C ATOM 323 O LEU A 21 13.392 -8.328 -1.107 1.00 0.00 O ATOM 324 CB LEU A 21 16.469 -8.102 -1.077 1.00 0.00 C ATOM 325 CG LEU A 21 17.885 -7.656 -0.667 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.804 -8.871 -0.538 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.502 -6.708 -1.698 1.00 0.00 C ATOM 0 H LEU A 21 15.483 -7.495 1.121 1.00 0.00 H new ATOM 0 HA LEU A 21 15.762 -6.106 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.185 -8.969 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.488 -8.424 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 21 17.790 -7.138 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.802 -8.543 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.409 -9.547 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.857 -9.391 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.500 -6.416 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.568 -7.212 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.878 -5.820 -1.795 1.00 0.00 H new ATOM 339 N MET A 22 13.709 -6.747 -2.678 1.00 0.00 N ATOM 340 CA MET A 22 12.501 -7.045 -3.465 1.00 0.00 C ATOM 341 C MET A 22 12.660 -6.607 -4.932 1.00 0.00 C ATOM 342 O MET A 22 13.640 -5.952 -5.284 1.00 0.00 O ATOM 343 CB MET A 22 11.265 -6.424 -2.780 1.00 0.00 C ATOM 344 CG MET A 22 11.101 -4.906 -2.951 1.00 0.00 C ATOM 345 SD MET A 22 10.289 -4.332 -4.464 1.00 0.00 S ATOM 346 CE MET A 22 8.623 -5.023 -4.269 1.00 0.00 C ATOM 0 H MET A 22 14.252 -5.969 -3.054 1.00 0.00 H new ATOM 0 HA MET A 22 12.352 -8.124 -3.496 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.372 -6.913 -3.169 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.312 -6.648 -1.714 1.00 0.00 H new ATOM 0 HG2 MET A 22 10.536 -4.528 -2.099 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.090 -4.451 -2.904 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.057 -4.872 -5.188 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.694 -6.090 -4.058 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.116 -4.523 -3.444 1.00 0.00 H new ATOM 356 N GLU A 23 11.711 -6.969 -5.801 1.00 0.00 N ATOM 357 CA GLU A 23 11.723 -6.604 -7.219 1.00 0.00 C ATOM 358 C GLU A 23 10.562 -5.679 -7.605 1.00 0.00 C ATOM 359 O GLU A 23 9.386 -6.006 -7.424 1.00 0.00 O ATOM 360 CB GLU A 23 11.731 -7.855 -8.101 1.00 0.00 C ATOM 361 CG GLU A 23 13.020 -8.677 -7.966 1.00 0.00 C ATOM 362 CD GLU A 23 13.013 -9.685 -6.793 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.068 -9.852 -6.136 1.00 0.00 O ATOM 364 OE2 GLU A 23 11.976 -10.347 -6.541 1.00 0.00 O ATOM 0 H GLU A 23 10.903 -7.531 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 23 12.642 -6.043 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.878 -8.482 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.603 -7.559 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.189 -9.221 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.860 -7.995 -7.838 1.00 0.00 H new ATOM 371 N ILE A 24 10.914 -4.531 -8.186 1.00 0.00 N ATOM 372 CA ILE A 24 9.993 -3.536 -8.741 1.00 0.00 C ATOM 373 C ILE A 24 9.773 -3.851 -10.223 1.00 0.00 C ATOM 374 O ILE A 24 10.677 -3.706 -11.047 1.00 0.00 O ATOM 375 CB ILE A 24 10.534 -2.104 -8.488 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.399 -1.789 -6.977 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.816 -1.036 -9.344 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.857 -0.390 -6.557 1.00 0.00 C ATOM 0 H ILE A 24 11.891 -4.257 -8.287 1.00 0.00 H new ATOM 0 HA ILE A 24 9.023 -3.580 -8.245 1.00 0.00 H new ATOM 0 HB ILE A 24 11.581 -2.071 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.355 -1.913 -6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.975 -2.525 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.235 -0.053 -9.126 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.955 -1.263 -10.401 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.752 -1.037 -9.109 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.722 -0.270 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.910 -0.262 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.266 0.360 -7.083 1.00 0.00 H new ATOM 390 N ASP A 25 8.563 -4.291 -10.564 1.00 0.00 N ATOM 391 CA ASP A 25 8.106 -4.425 -11.948 1.00 0.00 C ATOM 392 C ASP A 25 7.548 -3.082 -12.428 1.00 0.00 C ATOM 393 O ASP A 25 6.551 -2.590 -11.893 1.00 0.00 O ATOM 394 CB ASP A 25 7.066 -5.554 -12.033 1.00 0.00 C ATOM 395 CG ASP A 25 6.516 -5.815 -13.447 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.757 -6.798 -13.610 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.834 -5.049 -14.385 1.00 0.00 O ATOM 0 H ASP A 25 7.862 -4.569 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 25 8.935 -4.691 -12.604 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.516 -6.473 -11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.233 -5.313 -11.372 1.00 0.00 H new ATOM 402 N GLN A 26 8.169 -2.481 -13.444 1.00 0.00 N ATOM 403 CA GLN A 26 7.756 -1.174 -13.965 1.00 0.00 C ATOM 404 C GLN A 26 6.374 -1.195 -14.654 1.00 0.00 C ATOM 405 O GLN A 26 5.789 -0.130 -14.868 1.00 0.00 O ATOM 406 CB GLN A 26 8.851 -0.582 -14.872 1.00 0.00 C ATOM 407 CG GLN A 26 10.219 -0.377 -14.184 1.00 0.00 C ATOM 408 CD GLN A 26 10.288 0.785 -13.188 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.311 1.221 -12.590 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.461 1.338 -12.968 1.00 0.00 N ATOM 0 H GLN A 26 8.971 -2.884 -13.929 1.00 0.00 H new ATOM 0 HA GLN A 26 7.632 -0.516 -13.105 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.987 -1.239 -15.731 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.506 0.378 -15.256 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.485 -1.296 -13.662 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.973 -0.218 -14.954 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.288 0.991 -13.455 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.544 2.114 -12.311 1.00 0.00 H new ATOM 419 N LYS A 27 5.814 -2.378 -14.961 1.00 0.00 N ATOM 420 CA LYS A 27 4.437 -2.548 -15.472 1.00 0.00 C ATOM 421 C LYS A 27 3.373 -2.596 -14.361 1.00 0.00 C ATOM 422 O LYS A 27 2.208 -2.300 -14.633 1.00 0.00 O ATOM 423 CB LYS A 27 4.341 -3.814 -16.351 1.00 0.00 C ATOM 424 CG LYS A 27 5.437 -3.978 -17.423 1.00 0.00 C ATOM 425 CD LYS A 27 5.564 -2.793 -18.391 1.00 0.00 C ATOM 426 CE LYS A 27 6.783 -3.032 -19.287 1.00 0.00 C ATOM 427 NZ LYS A 27 7.138 -1.834 -20.090 1.00 0.00 N ATOM 0 H LYS A 27 6.313 -3.262 -14.860 1.00 0.00 H new ATOM 0 HA LYS A 27 4.223 -1.663 -16.071 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.365 -4.687 -15.699 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.371 -3.814 -16.849 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.395 -4.128 -16.925 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.232 -4.881 -17.999 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.662 -2.698 -18.995 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.677 -1.861 -17.837 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.634 -3.317 -18.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.580 -3.868 -19.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.147 -1.869 -20.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.568 -1.818 -20.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.947 -0.975 -19.535 1.00 0.00 H new ATOM 441 N LYS A 28 3.743 -2.954 -13.121 1.00 0.00 N ATOM 442 CA LYS A 28 2.836 -2.990 -11.951 1.00 0.00 C ATOM 443 C LYS A 28 2.617 -1.593 -11.352 1.00 0.00 C ATOM 444 O LYS A 28 3.541 -0.774 -11.380 1.00 0.00 O ATOM 445 CB LYS A 28 3.366 -3.965 -10.880 1.00 0.00 C ATOM 446 CG LYS A 28 3.099 -5.425 -11.277 1.00 0.00 C ATOM 447 CD LYS A 28 3.567 -6.438 -10.220 1.00 0.00 C ATOM 448 CE LYS A 28 2.720 -6.381 -8.940 1.00 0.00 C ATOM 449 NZ LYS A 28 3.107 -7.452 -7.984 1.00 0.00 N ATOM 0 H LYS A 28 4.698 -3.233 -12.894 1.00 0.00 H new ATOM 0 HA LYS A 28 1.868 -3.349 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.437 -3.812 -10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.889 -3.753 -9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.031 -5.558 -11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.603 -5.636 -12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.521 -7.443 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.610 -6.244 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.840 -5.407 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.665 -6.483 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.516 -7.386 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.969 -8.382 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.107 -7.339 -7.722 1.00 0.00 H new ATOM 463 N PRO A 29 1.433 -1.302 -10.779 1.00 0.00 N ATOM 464 CA PRO A 29 1.174 -0.035 -10.100 1.00 0.00 C ATOM 465 C PRO A 29 1.987 0.072 -8.807 1.00 0.00 C ATOM 466 O PRO A 29 2.110 -0.893 -8.047 1.00 0.00 O ATOM 467 CB PRO A 29 -0.334 -0.012 -9.825 1.00 0.00 C ATOM 468 CG PRO A 29 -0.709 -1.489 -9.742 1.00 0.00 C ATOM 469 CD PRO A 29 0.281 -2.186 -10.669 1.00 0.00 C ATOM 0 HA PRO A 29 1.474 0.818 -10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.564 0.512 -8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.879 0.495 -10.621 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.628 -1.863 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.738 -1.656 -10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.573 -3.156 -10.267 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.164 -2.367 -11.647 1.00 0.00 H new ATOM 477 N LEU A 30 2.497 1.272 -8.521 1.00 0.00 N ATOM 478 CA LEU A 30 3.259 1.545 -7.299 1.00 0.00 C ATOM 479 C LEU A 30 2.429 1.289 -6.035 1.00 0.00 C ATOM 480 O LEU A 30 2.981 0.826 -5.045 1.00 0.00 O ATOM 481 CB LEU A 30 3.781 2.993 -7.331 1.00 0.00 C ATOM 482 CG LEU A 30 4.913 3.215 -8.350 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.060 4.706 -8.629 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.251 2.671 -7.844 1.00 0.00 C ATOM 0 H LEU A 30 2.393 2.083 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 30 4.104 0.857 -7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.955 3.664 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.139 3.264 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 30 4.648 2.677 -9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.862 4.864 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.125 5.094 -9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.298 5.228 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.023 2.848 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.522 3.177 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.162 1.600 -7.661 1.00 0.00 H new ATOM 496 N SER A 31 1.109 1.494 -6.069 1.00 0.00 N ATOM 497 CA SER A 31 0.208 1.188 -4.946 1.00 0.00 C ATOM 498 C SER A 31 0.234 -0.296 -4.549 1.00 0.00 C ATOM 499 O SER A 31 0.312 -0.612 -3.360 1.00 0.00 O ATOM 500 CB SER A 31 -1.229 1.594 -5.300 1.00 0.00 C ATOM 501 OG SER A 31 -1.278 2.957 -5.696 1.00 0.00 O ATOM 0 H SER A 31 0.629 1.880 -6.882 1.00 0.00 H new ATOM 0 HA SER A 31 0.565 1.762 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.604 0.962 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.880 1.435 -4.440 1.00 0.00 H new ATOM 0 HG SER A 31 -2.201 3.200 -5.920 1.00 0.00 H new ATOM 507 N ALA A 32 0.235 -1.215 -5.527 1.00 0.00 N ATOM 508 CA ALA A 32 0.350 -2.655 -5.270 1.00 0.00 C ATOM 509 C ALA A 32 1.748 -3.038 -4.748 1.00 0.00 C ATOM 510 O ALA A 32 1.873 -3.847 -3.828 1.00 0.00 O ATOM 511 CB ALA A 32 0.011 -3.422 -6.556 1.00 0.00 C ATOM 0 H ALA A 32 0.156 -0.979 -6.516 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.357 -2.926 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.094 -4.493 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.007 -3.184 -6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.705 -3.134 -7.345 1.00 0.00 H new ATOM 517 N ILE A 33 2.800 -2.420 -5.293 1.00 0.00 N ATOM 518 CA ILE A 33 4.186 -2.614 -4.838 1.00 0.00 C ATOM 519 C ILE A 33 4.351 -2.126 -3.392 1.00 0.00 C ATOM 520 O ILE A 33 4.859 -2.860 -2.551 1.00 0.00 O ATOM 521 CB ILE A 33 5.163 -1.909 -5.808 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.100 -2.575 -7.204 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.599 -1.924 -5.255 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.853 -1.818 -8.303 1.00 0.00 C ATOM 0 H ILE A 33 2.716 -1.764 -6.070 1.00 0.00 H new ATOM 0 HA ILE A 33 4.424 -3.678 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 33 4.860 -0.867 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.507 -3.583 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.055 -2.674 -7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.265 -1.422 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.625 -1.406 -4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.926 -2.955 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.756 -2.355 -9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.432 -0.818 -8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.907 -1.742 -8.036 1.00 0.00 H new ATOM 536 N ILE A 34 3.873 -0.924 -3.065 1.00 0.00 N ATOM 537 CA ILE A 34 3.954 -0.345 -1.718 1.00 0.00 C ATOM 538 C ILE A 34 3.169 -1.199 -0.710 1.00 0.00 C ATOM 539 O ILE A 34 3.655 -1.398 0.403 1.00 0.00 O ATOM 540 CB ILE A 34 3.514 1.139 -1.754 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.562 1.987 -2.518 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.333 1.721 -0.342 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.012 3.323 -3.034 1.00 0.00 C ATOM 0 H ILE A 34 3.410 -0.313 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 34 4.988 -0.355 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 34 2.552 1.176 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.409 2.182 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.940 1.409 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.024 2.764 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.570 1.153 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.276 1.659 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.800 3.863 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.184 3.136 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.660 3.921 -2.193 1.00 0.00 H new ATOM 555 N LYS A 35 2.030 -1.797 -1.098 1.00 0.00 N ATOM 556 CA LYS A 35 1.320 -2.795 -0.275 1.00 0.00 C ATOM 557 C LYS A 35 2.186 -4.025 0.023 1.00 0.00 C ATOM 558 O LYS A 35 2.251 -4.457 1.172 1.00 0.00 O ATOM 559 CB LYS A 35 -0.007 -3.183 -0.954 1.00 0.00 C ATOM 560 CG LYS A 35 -0.945 -3.963 -0.019 1.00 0.00 C ATOM 561 CD LYS A 35 -2.252 -4.311 -0.745 1.00 0.00 C ATOM 562 CE LYS A 35 -3.251 -4.979 0.208 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.480 -5.400 -0.515 1.00 0.00 N ATOM 0 H LYS A 35 1.575 -1.603 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 35 1.099 -2.341 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.512 -2.280 -1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.204 -3.787 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.455 -4.876 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.161 -3.369 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.692 -3.405 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.041 -4.977 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.786 -5.846 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.515 -4.287 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.256 -5.529 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.744 -4.669 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.301 -6.297 -1.011 1.00 0.00 H new ATOM 577 N GLU A 36 2.899 -4.556 -0.971 1.00 0.00 N ATOM 578 CA GLU A 36 3.810 -5.695 -0.821 1.00 0.00 C ATOM 579 C GLU A 36 5.049 -5.365 0.038 1.00 0.00 C ATOM 580 O GLU A 36 5.512 -6.210 0.806 1.00 0.00 O ATOM 581 CB GLU A 36 4.211 -6.164 -2.232 1.00 0.00 C ATOM 582 CG GLU A 36 3.130 -7.005 -2.932 1.00 0.00 C ATOM 583 CD GLU A 36 2.822 -8.341 -2.223 1.00 0.00 C ATOM 584 OE1 GLU A 36 1.638 -8.757 -2.213 1.00 0.00 O ATOM 585 OE2 GLU A 36 3.753 -8.998 -1.699 1.00 0.00 O ATOM 0 H GLU A 36 2.859 -4.199 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 36 3.296 -6.493 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.435 -5.291 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.128 -6.750 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.213 -6.419 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.449 -7.212 -3.954 1.00 0.00 H new ATOM 592 N VAL A 37 5.559 -4.128 -0.027 1.00 0.00 N ATOM 593 CA VAL A 37 6.632 -3.632 0.857 1.00 0.00 C ATOM 594 C VAL A 37 6.142 -3.504 2.300 1.00 0.00 C ATOM 595 O VAL A 37 6.750 -4.064 3.212 1.00 0.00 O ATOM 596 CB VAL A 37 7.191 -2.283 0.366 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.254 -1.719 1.314 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.840 -2.436 -1.008 1.00 0.00 C ATOM 0 H VAL A 37 5.237 -3.433 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 37 7.438 -4.366 0.826 1.00 0.00 H new ATOM 0 HB VAL A 37 6.342 -1.601 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.619 -0.768 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.817 -1.566 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.084 -2.422 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.228 -1.472 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.657 -3.154 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.098 -2.791 -1.723 1.00 0.00 H new ATOM 608 N CYS A 38 5.031 -2.791 2.503 1.00 0.00 N ATOM 609 CA CYS A 38 4.451 -2.541 3.829 1.00 0.00 C ATOM 610 C CYS A 38 4.073 -3.846 4.550 1.00 0.00 C ATOM 611 O CYS A 38 4.395 -4.005 5.727 1.00 0.00 O ATOM 612 CB CYS A 38 3.237 -1.605 3.709 1.00 0.00 C ATOM 613 SG CYS A 38 3.758 0.052 3.183 1.00 0.00 S ATOM 0 H CYS A 38 4.501 -2.365 1.743 1.00 0.00 H new ATOM 0 HA CYS A 38 5.212 -2.054 4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.526 -2.013 2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.722 -1.543 4.668 1.00 0.00 H new ATOM 0 HG CYS A 38 3.906 0.071 1.892 1.00 0.00 H new ATOM 619 N ASP A 39 3.473 -4.814 3.849 1.00 0.00 N ATOM 620 CA ASP A 39 3.159 -6.141 4.397 1.00 0.00 C ATOM 621 C ASP A 39 4.415 -6.922 4.842 1.00 0.00 C ATOM 622 O ASP A 39 4.357 -7.703 5.793 1.00 0.00 O ATOM 623 CB ASP A 39 2.373 -6.939 3.347 1.00 0.00 C ATOM 624 CG ASP A 39 1.848 -8.280 3.889 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.033 -9.320 3.211 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.209 -8.297 4.969 1.00 0.00 O ATOM 0 H ASP A 39 3.188 -4.699 2.876 1.00 0.00 H new ATOM 0 HA ASP A 39 2.558 -5.998 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.533 -6.340 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.013 -7.126 2.485 1.00 0.00 H new ATOM 631 N GLY A 40 5.574 -6.660 4.223 1.00 0.00 N ATOM 632 CA GLY A 40 6.875 -7.207 4.629 1.00 0.00 C ATOM 633 C GLY A 40 7.331 -6.778 6.033 1.00 0.00 C ATOM 634 O GLY A 40 8.090 -7.505 6.678 1.00 0.00 O ATOM 0 H GLY A 40 5.634 -6.049 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.826 -8.295 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.628 -6.897 3.905 1.00 0.00 H new ATOM 638 N TRP A 41 6.824 -5.645 6.534 1.00 0.00 N ATOM 639 CA TRP A 41 6.991 -5.158 7.910 1.00 0.00 C ATOM 640 C TRP A 41 5.663 -5.100 8.700 1.00 0.00 C ATOM 641 O TRP A 41 5.583 -4.444 9.741 1.00 0.00 O ATOM 642 CB TRP A 41 7.740 -3.816 7.871 1.00 0.00 C ATOM 643 CG TRP A 41 9.160 -3.891 7.389 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.142 -4.627 7.960 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.783 -3.217 6.251 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.317 -4.466 7.255 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.160 -3.593 6.202 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.331 -2.319 5.260 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.044 -3.100 5.234 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.213 -1.811 4.285 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.562 -2.200 4.270 1.00 0.00 C ATOM 0 H TRP A 41 6.260 -5.013 5.965 1.00 0.00 H new ATOM 0 HA TRP A 41 7.592 -5.875 8.469 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.190 -3.130 7.227 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.735 -3.386 8.873 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.024 -5.247 8.836 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.193 -4.935 7.485 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.294 -2.017 5.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.079 -3.407 5.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.848 -1.116 3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.229 -1.807 3.517 1.00 0.00 H new ATOM 662 N SER A 42 4.616 -5.785 8.219 1.00 0.00 N ATOM 663 CA SER A 42 3.260 -5.828 8.807 1.00 0.00 C ATOM 664 C SER A 42 2.592 -4.449 8.991 1.00 0.00 C ATOM 665 O SER A 42 1.727 -4.273 9.854 1.00 0.00 O ATOM 666 CB SER A 42 3.241 -6.657 10.104 1.00 0.00 C ATOM 667 OG SER A 42 3.780 -7.956 9.893 1.00 0.00 O ATOM 0 H SER A 42 4.689 -6.350 7.373 1.00 0.00 H new ATOM 0 HA SER A 42 2.640 -6.333 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.815 -6.143 10.875 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.218 -6.740 10.470 1.00 0.00 H new ATOM 0 HG SER A 42 3.757 -8.460 10.733 1.00 0.00 H new ATOM 673 N LEU A 43 2.991 -3.451 8.195 1.00 0.00 N ATOM 674 CA LEU A 43 2.496 -2.073 8.254 1.00 0.00 C ATOM 675 C LEU A 43 1.085 -1.949 7.654 1.00 0.00 C ATOM 676 O LEU A 43 0.861 -2.273 6.484 1.00 0.00 O ATOM 677 CB LEU A 43 3.496 -1.145 7.534 1.00 0.00 C ATOM 678 CG LEU A 43 4.825 -0.946 8.286 1.00 0.00 C ATOM 679 CD1 LEU A 43 5.846 -0.294 7.360 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.666 -0.060 9.525 1.00 0.00 C ATOM 0 H LEU A 43 3.692 -3.586 7.467 1.00 0.00 H new ATOM 0 HA LEU A 43 2.416 -1.772 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.708 -1.554 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.028 -0.172 7.382 1.00 0.00 H new ATOM 0 HG LEU A 43 5.159 -1.932 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.785 -0.154 7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.013 -0.935 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.470 0.674 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.631 0.050 10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.298 0.921 9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.956 -0.520 10.212 1.00 0.00 H new ATOM 692 N ALA A 44 0.142 -1.447 8.455 1.00 0.00 N ATOM 693 CA ALA A 44 -1.207 -1.086 8.023 1.00 0.00 C ATOM 694 C ALA A 44 -1.228 0.232 7.218 1.00 0.00 C ATOM 695 O ALA A 44 -0.290 1.033 7.283 1.00 0.00 O ATOM 696 CB ALA A 44 -2.104 -1.002 9.267 1.00 0.00 C ATOM 0 H ALA A 44 0.302 -1.277 9.448 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.584 -1.852 7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.117 -0.733 8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.119 -1.968 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.714 -0.244 9.947 1.00 0.00 H new ATOM 702 N ASN A 45 -2.327 0.472 6.494 1.00 0.00 N ATOM 703 CA ASN A 45 -2.581 1.688 5.706 1.00 0.00 C ATOM 704 C ASN A 45 -1.441 2.022 4.719 1.00 0.00 C ATOM 705 O ASN A 45 -0.923 3.139 4.698 1.00 0.00 O ATOM 706 CB ASN A 45 -2.964 2.863 6.633 1.00 0.00 C ATOM 707 CG ASN A 45 -4.132 2.555 7.554 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.164 2.037 7.145 1.00 0.00 O ATOM 709 ND2 ASN A 45 -4.012 2.847 8.830 1.00 0.00 N ATOM 0 H ASN A 45 -3.093 -0.199 6.437 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.439 1.493 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.098 3.136 7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.213 3.731 6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.776 2.642 9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.155 3.278 9.176 1.00 0.00 H new ATOM 716 N HIS A 46 -1.050 1.057 3.878 1.00 0.00 N ATOM 717 CA HIS A 46 0.014 1.218 2.872 1.00 0.00 C ATOM 718 C HIS A 46 -0.265 2.370 1.886 1.00 0.00 C ATOM 719 O HIS A 46 0.659 2.959 1.338 1.00 0.00 O ATOM 720 CB HIS A 46 0.160 -0.099 2.100 1.00 0.00 C ATOM 721 CG HIS A 46 -1.003 -0.347 1.175 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.264 -0.807 1.556 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.046 0.035 -0.133 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.028 -0.722 0.454 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.324 -0.221 -0.575 1.00 0.00 N ATOM 0 H HIS A 46 -1.469 0.127 3.875 1.00 0.00 H new ATOM 0 HA HIS A 46 0.936 1.470 3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.084 -0.079 1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.243 -0.925 2.806 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.236 0.456 -0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.066 -1.016 0.402 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.675 -0.059 -1.519 1.00 0.00 H new ATOM 733 N GLU A 47 -1.535 2.734 1.691 1.00 0.00 N ATOM 734 CA GLU A 47 -1.975 3.891 0.900 1.00 0.00 C ATOM 735 C GLU A 47 -1.512 5.253 1.469 1.00 0.00 C ATOM 736 O GLU A 47 -1.589 6.268 0.773 1.00 0.00 O ATOM 737 CB GLU A 47 -3.498 3.825 0.713 1.00 0.00 C ATOM 738 CG GLU A 47 -4.254 3.768 2.044 1.00 0.00 C ATOM 739 CD GLU A 47 -5.755 4.034 1.854 1.00 0.00 C ATOM 740 OE1 GLU A 47 -6.390 3.344 1.021 1.00 0.00 O ATOM 741 OE2 GLU A 47 -6.319 4.909 2.552 1.00 0.00 O ATOM 0 H GLU A 47 -2.315 2.214 2.093 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.488 3.829 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.829 4.697 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.749 2.946 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.113 2.789 2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.838 4.504 2.731 1.00 0.00 H new ATOM 748 N TYR A 48 -1.007 5.296 2.710 1.00 0.00 N ATOM 749 CA TYR A 48 -0.320 6.467 3.271 1.00 0.00 C ATOM 750 C TYR A 48 1.153 6.556 2.838 1.00 0.00 C ATOM 751 O TYR A 48 1.775 7.604 3.005 1.00 0.00 O ATOM 752 CB TYR A 48 -0.347 6.427 4.808 1.00 0.00 C ATOM 753 CG TYR A 48 -1.679 6.477 5.537 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.910 6.695 4.878 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.656 6.337 6.937 1.00 0.00 C ATOM 756 CE1 TYR A 48 -4.105 6.749 5.620 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.846 6.405 7.684 1.00 0.00 C ATOM 758 CZ TYR A 48 -4.080 6.604 7.025 1.00 0.00 C ATOM 759 OH TYR A 48 -5.240 6.667 7.734 1.00 0.00 O ATOM 0 H TYR A 48 -1.065 4.511 3.359 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.856 7.336 2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.161 5.514 5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.253 7.264 5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.934 6.820 3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.716 6.176 7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.046 6.902 5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.817 6.305 8.759 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.048 6.547 8.687 1.00 0.00 H new ATOM 769 N PHE A 49 1.747 5.468 2.343 1.00 0.00 N ATOM 770 CA PHE A 49 3.184 5.350 2.094 1.00 0.00 C ATOM 771 C PHE A 49 3.595 5.675 0.652 1.00 0.00 C ATOM 772 O PHE A 49 2.800 5.645 -0.288 1.00 0.00 O ATOM 773 CB PHE A 49 3.682 3.962 2.527 1.00 0.00 C ATOM 774 CG PHE A 49 3.773 3.782 4.031 1.00 0.00 C ATOM 775 CD1 PHE A 49 5.021 3.893 4.672 1.00 0.00 C ATOM 776 CD2 PHE A 49 2.620 3.512 4.793 1.00 0.00 C ATOM 777 CE1 PHE A 49 5.111 3.744 6.067 1.00 0.00 C ATOM 778 CE2 PHE A 49 2.713 3.354 6.186 1.00 0.00 C ATOM 779 CZ PHE A 49 3.959 3.473 6.825 1.00 0.00 C ATOM 0 H PHE A 49 1.229 4.624 2.098 1.00 0.00 H new ATOM 0 HA PHE A 49 3.671 6.112 2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.013 3.204 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.665 3.787 2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.910 4.093 4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.661 3.426 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.068 3.838 6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.827 3.141 6.766 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.031 3.356 7.896 1.00 0.00 H new ATOM 789 N ALA A 50 4.887 5.961 0.508 1.00 0.00 N ATOM 790 CA ALA A 50 5.633 6.106 -0.731 1.00 0.00 C ATOM 791 C ALA A 50 7.043 5.524 -0.551 1.00 0.00 C ATOM 792 O ALA A 50 7.589 5.482 0.557 1.00 0.00 O ATOM 793 CB ALA A 50 5.695 7.591 -1.120 1.00 0.00 C ATOM 0 H ALA A 50 5.483 6.108 1.323 1.00 0.00 H new ATOM 0 HA ALA A 50 5.135 5.560 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.254 7.701 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.684 7.974 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.191 8.154 -0.329 1.00 0.00 H new ATOM 799 N LEU A 51 7.633 5.063 -1.650 1.00 0.00 N ATOM 800 CA LEU A 51 9.058 4.756 -1.702 1.00 0.00 C ATOM 801 C LEU A 51 9.824 6.061 -1.965 1.00 0.00 C ATOM 802 O LEU A 51 9.280 7.011 -2.532 1.00 0.00 O ATOM 803 CB LEU A 51 9.309 3.686 -2.778 1.00 0.00 C ATOM 804 CG LEU A 51 8.956 2.266 -2.303 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.917 1.314 -3.497 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.983 1.730 -1.300 1.00 0.00 C ATOM 0 H LEU A 51 7.139 4.892 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 51 9.414 4.344 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.721 3.924 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.358 3.715 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 51 7.982 2.322 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.667 0.310 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.164 1.653 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.893 1.299 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.698 0.725 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.967 1.699 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.016 2.384 -0.428 1.00 0.00 H new ATOM 818 N GLN A 52 11.090 6.111 -1.567 1.00 0.00 N ATOM 819 CA GLN A 52 11.956 7.279 -1.711 1.00 0.00 C ATOM 820 C GLN A 52 13.391 6.850 -2.035 1.00 0.00 C ATOM 821 O GLN A 52 13.866 5.831 -1.536 1.00 0.00 O ATOM 822 CB GLN A 52 11.858 8.118 -0.427 1.00 0.00 C ATOM 823 CG GLN A 52 12.659 9.427 -0.465 1.00 0.00 C ATOM 824 CD GLN A 52 12.387 10.307 0.757 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.247 9.849 1.884 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.318 11.607 0.587 1.00 0.00 N ATOM 0 H GLN A 52 11.556 5.320 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 52 11.632 7.897 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.810 8.352 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.206 7.517 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.723 9.198 -0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.408 9.979 -1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.432 12.006 -0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.150 12.218 1.387 1.00 0.00 H new ATOM 835 N HIS A 53 14.090 7.617 -2.866 1.00 0.00 N ATOM 836 CA HIS A 53 15.497 7.359 -3.208 1.00 0.00 C ATOM 837 C HIS A 53 16.449 7.560 -2.022 1.00 0.00 C ATOM 838 O HIS A 53 16.384 8.584 -1.341 1.00 0.00 O ATOM 839 CB HIS A 53 15.940 8.244 -4.381 1.00 0.00 C ATOM 840 CG HIS A 53 15.739 7.604 -5.728 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.587 6.643 -6.284 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.750 7.892 -6.620 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.083 6.368 -7.500 1.00 0.00 C ATOM 844 NE2 HIS A 53 14.979 7.102 -7.726 1.00 0.00 N ATOM 0 H HIS A 53 13.701 8.440 -3.326 1.00 0.00 H new ATOM 0 HA HIS A 53 15.553 6.309 -3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.386 9.182 -4.347 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.994 8.493 -4.260 1.00 0.00 H new ATOM 0 HD1 HIS A 53 17.418 6.234 -5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.945 8.600 -6.487 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.505 5.658 -8.196 1.00 0.00 H new ATOM 852 N ALA A 54 17.368 6.609 -1.824 1.00 0.00 N ATOM 853 CA ALA A 54 18.510 6.746 -0.915 1.00 0.00 C ATOM 854 C ALA A 54 19.830 6.965 -1.689 1.00 0.00 C ATOM 855 O ALA A 54 20.714 7.679 -1.211 1.00 0.00 O ATOM 856 CB ALA A 54 18.574 5.511 -0.012 1.00 0.00 C ATOM 0 H ALA A 54 17.338 5.707 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 54 18.374 7.632 -0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.420 5.602 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 54 17.652 5.433 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.696 4.618 -0.625 1.00 0.00 H new ATOM 862 N ASP A 55 19.960 6.390 -2.894 1.00 0.00 N ATOM 863 CA ASP A 55 21.086 6.639 -3.810 1.00 0.00 C ATOM 864 C ASP A 55 20.999 8.005 -4.515 1.00 0.00 C ATOM 865 O ASP A 55 21.975 8.760 -4.521 1.00 0.00 O ATOM 866 CB ASP A 55 21.172 5.517 -4.861 1.00 0.00 C ATOM 867 CG ASP A 55 21.627 4.162 -4.299 1.00 0.00 C ATOM 868 OD1 ASP A 55 21.252 3.126 -4.895 1.00 0.00 O ATOM 869 OD2 ASP A 55 22.393 4.124 -3.306 1.00 0.00 O ATOM 0 H ASP A 55 19.277 5.730 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 55 21.988 6.651 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.194 5.395 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.863 5.822 -5.647 1.00 0.00 H new ATOM 874 N SER A 56 19.839 8.335 -5.099 1.00 0.00 N ATOM 875 CA SER A 56 19.565 9.659 -5.682 1.00 0.00 C ATOM 876 C SER A 56 19.123 10.684 -4.615 1.00 0.00 C ATOM 877 O SER A 56 19.004 10.354 -3.432 1.00 0.00 O ATOM 878 CB SER A 56 18.563 9.530 -6.837 1.00 0.00 C ATOM 879 OG SER A 56 18.569 10.710 -7.623 1.00 0.00 O ATOM 0 H SER A 56 19.056 7.686 -5.182 1.00 0.00 H new ATOM 0 HA SER A 56 20.494 10.053 -6.094 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.819 8.670 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.563 9.352 -6.442 1.00 0.00 H new ATOM 0 HG SER A 56 17.769 11.240 -7.424 1.00 0.00 H new ATOM 885 N SER A 57 18.897 11.939 -5.016 1.00 0.00 N ATOM 886 CA SER A 57 18.678 13.106 -4.141 1.00 0.00 C ATOM 887 C SER A 57 17.285 13.162 -3.473 1.00 0.00 C ATOM 888 O SER A 57 16.525 14.118 -3.644 1.00 0.00 O ATOM 889 CB SER A 57 19.025 14.388 -4.916 1.00 0.00 C ATOM 890 OG SER A 57 19.077 15.521 -4.061 1.00 0.00 O ATOM 0 H SER A 57 18.859 12.185 -6.005 1.00 0.00 H new ATOM 0 HA SER A 57 19.352 13.005 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.987 14.263 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.282 14.554 -5.696 1.00 0.00 H new ATOM 0 HG SER A 57 18.201 15.655 -3.642 1.00 0.00 H new ATOM 896 N ASN A 58 16.948 12.133 -2.686 1.00 0.00 N ATOM 897 CA ASN A 58 15.765 12.046 -1.812 1.00 0.00 C ATOM 898 C ASN A 58 14.396 12.179 -2.519 1.00 0.00 C ATOM 899 O ASN A 58 13.392 12.494 -1.874 1.00 0.00 O ATOM 900 CB ASN A 58 15.930 12.992 -0.602 1.00 0.00 C ATOM 901 CG ASN A 58 17.234 12.783 0.150 1.00 0.00 C ATOM 902 OD1 ASN A 58 17.476 11.744 0.748 1.00 0.00 O ATOM 903 ND2 ASN A 58 18.116 13.759 0.154 1.00 0.00 N ATOM 0 H ASN A 58 17.523 11.292 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 58 15.732 11.018 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.879 14.025 -0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.095 12.843 0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.998 13.648 0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.918 14.627 -0.343 1.00 0.00 H new ATOM 910 N PHE A 59 14.316 11.932 -3.829 1.00 0.00 N ATOM 911 CA PHE A 59 13.057 11.998 -4.581 1.00 0.00 C ATOM 912 C PHE A 59 12.079 10.890 -4.160 1.00 0.00 C ATOM 913 O PHE A 59 12.460 9.720 -4.073 1.00 0.00 O ATOM 914 CB PHE A 59 13.330 11.908 -6.090 1.00 0.00 C ATOM 915 CG PHE A 59 14.324 12.923 -6.621 1.00 0.00 C ATOM 916 CD1 PHE A 59 14.005 14.295 -6.614 1.00 0.00 C ATOM 917 CD2 PHE A 59 15.565 12.497 -7.133 1.00 0.00 C ATOM 918 CE1 PHE A 59 14.924 15.237 -7.109 1.00 0.00 C ATOM 919 CE2 PHE A 59 16.481 13.440 -7.633 1.00 0.00 C ATOM 920 CZ PHE A 59 16.162 14.809 -7.620 1.00 0.00 C ATOM 0 H PHE A 59 15.123 11.680 -4.400 1.00 0.00 H new ATOM 0 HA PHE A 59 12.593 12.957 -4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 59 13.697 10.908 -6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.387 12.031 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.052 14.624 -6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.813 11.446 -7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.679 16.289 -7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.431 13.112 -8.028 1.00 0.00 H new ATOM 0 HZ PHE A 59 16.868 15.532 -8.002 1.00 0.00 H new ATOM 930 N TYR A 60 10.812 11.246 -3.934 1.00 0.00 N ATOM 931 CA TYR A 60 9.726 10.275 -3.756 1.00 0.00 C ATOM 932 C TYR A 60 9.426 9.569 -5.089 1.00 0.00 C ATOM 933 O TYR A 60 9.472 10.190 -6.152 1.00 0.00 O ATOM 934 CB TYR A 60 8.460 10.966 -3.230 1.00 0.00 C ATOM 935 CG TYR A 60 8.592 11.529 -1.828 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.391 10.683 -0.719 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.892 12.891 -1.630 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.487 11.202 0.586 1.00 0.00 C ATOM 939 CE2 TYR A 60 9.002 13.408 -0.324 1.00 0.00 C ATOM 940 CZ TYR A 60 8.810 12.561 0.788 1.00 0.00 C ATOM 941 OH TYR A 60 8.902 13.054 2.055 1.00 0.00 O ATOM 0 H TYR A 60 10.508 12.218 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 60 10.044 9.534 -3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.193 11.775 -3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.637 10.251 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.164 9.638 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.038 13.540 -2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.313 10.558 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.233 14.452 -0.174 1.00 0.00 H new ATOM 0 HH TYR A 60 9.133 14.006 2.020 1.00 0.00 H new ATOM 951 N ILE A 61 9.104 8.277 -5.047 1.00 0.00 N ATOM 952 CA ILE A 61 8.789 7.480 -6.236 1.00 0.00 C ATOM 953 C ILE A 61 7.325 7.679 -6.651 1.00 0.00 C ATOM 954 O ILE A 61 6.408 7.611 -5.830 1.00 0.00 O ATOM 955 CB ILE A 61 9.159 6.000 -6.009 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.646 5.820 -5.613 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.835 5.146 -7.245 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.672 6.481 -6.547 1.00 0.00 C ATOM 0 H ILE A 61 9.053 7.746 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 61 9.396 7.828 -7.072 1.00 0.00 H new ATOM 0 HB ILE A 61 8.548 5.655 -5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.786 6.221 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.863 4.753 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.108 4.108 -7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.768 5.207 -7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.399 5.516 -8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.679 6.291 -6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.572 6.065 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.494 7.556 -6.580 1.00 0.00 H new ATOM 970 N THR A 62 7.124 7.919 -7.945 1.00 0.00 N ATOM 971 CA THR A 62 5.849 8.253 -8.602 1.00 0.00 C ATOM 972 C THR A 62 5.860 7.709 -10.032 1.00 0.00 C ATOM 973 O THR A 62 6.908 7.299 -10.534 1.00 0.00 O ATOM 974 CB THR A 62 5.625 9.780 -8.662 1.00 0.00 C ATOM 975 OG1 THR A 62 6.552 10.364 -9.554 1.00 0.00 O ATOM 976 CG2 THR A 62 5.757 10.501 -7.322 1.00 0.00 C ATOM 0 H THR A 62 7.895 7.885 -8.612 1.00 0.00 H new ATOM 0 HA THR A 62 5.045 7.804 -8.019 1.00 0.00 H new ATOM 0 HB THR A 62 4.593 9.900 -8.993 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.405 11.332 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.583 11.568 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.023 10.104 -6.621 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.760 10.347 -6.923 1.00 0.00 H new ATOM 984 N GLU A 63 4.737 7.769 -10.749 1.00 0.00 N ATOM 985 CA GLU A 63 4.691 7.430 -12.184 1.00 0.00 C ATOM 986 C GLU A 63 5.620 8.312 -13.052 1.00 0.00 C ATOM 987 O GLU A 63 6.003 7.905 -14.151 1.00 0.00 O ATOM 988 CB GLU A 63 3.245 7.521 -12.694 1.00 0.00 C ATOM 989 CG GLU A 63 2.307 6.526 -11.988 1.00 0.00 C ATOM 990 CD GLU A 63 0.920 6.443 -12.660 1.00 0.00 C ATOM 991 OE1 GLU A 63 0.369 7.487 -13.089 1.00 0.00 O ATOM 992 OE2 GLU A 63 0.359 5.324 -12.747 1.00 0.00 O ATOM 0 H GLU A 63 3.837 8.051 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 63 5.059 6.409 -12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.873 8.535 -12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.229 7.331 -13.767 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.766 5.537 -11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.185 6.823 -10.946 1.00 0.00 H new ATOM 999 N LYS A 64 6.012 9.498 -12.555 1.00 0.00 N ATOM 1000 CA LYS A 64 6.960 10.427 -13.200 1.00 0.00 C ATOM 1001 C LYS A 64 8.426 10.204 -12.784 1.00 0.00 C ATOM 1002 O LYS A 64 9.318 10.657 -13.501 1.00 0.00 O ATOM 1003 CB LYS A 64 6.534 11.882 -12.910 1.00 0.00 C ATOM 1004 CG LYS A 64 5.400 12.423 -13.802 1.00 0.00 C ATOM 1005 CD LYS A 64 4.037 11.735 -13.617 1.00 0.00 C ATOM 1006 CE LYS A 64 2.926 12.390 -14.451 1.00 0.00 C ATOM 1007 NZ LYS A 64 2.549 13.739 -13.951 1.00 0.00 N ATOM 0 H LYS A 64 5.666 9.850 -11.662 1.00 0.00 H new ATOM 0 HA LYS A 64 6.920 10.226 -14.271 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.220 11.951 -11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.404 12.528 -13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.281 13.488 -13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.701 12.323 -14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.124 10.685 -13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.760 11.764 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.255 12.470 -15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.046 11.746 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.751 14.105 -14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.272 13.674 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.360 14.383 -14.044 1.00 0.00 H new ATOM 1021 N ASN A 65 8.683 9.518 -11.659 1.00 0.00 N ATOM 1022 CA ASN A 65 10.025 9.328 -11.076 1.00 0.00 C ATOM 1023 C ASN A 65 10.526 7.870 -11.061 1.00 0.00 C ATOM 1024 O ASN A 65 11.730 7.641 -10.931 1.00 0.00 O ATOM 1025 CB ASN A 65 10.039 9.907 -9.646 1.00 0.00 C ATOM 1026 CG ASN A 65 9.895 11.419 -9.561 1.00 0.00 C ATOM 1027 OD1 ASN A 65 10.009 12.163 -10.526 1.00 0.00 O ATOM 1028 ND2 ASN A 65 9.671 11.927 -8.372 1.00 0.00 N ATOM 0 H ASN A 65 7.947 9.068 -11.115 1.00 0.00 H new ATOM 0 HA ASN A 65 10.718 9.860 -11.728 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.231 9.448 -9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.973 9.619 -9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.593 12.937 -8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.575 11.312 -7.564 1.00 0.00 H new ATOM 1035 N ARG A 66 9.645 6.865 -11.182 1.00 0.00 N ATOM 1036 CA ARG A 66 10.004 5.433 -11.082 1.00 0.00 C ATOM 1037 C ARG A 66 11.004 4.953 -12.138 1.00 0.00 C ATOM 1038 O ARG A 66 11.726 3.989 -11.899 1.00 0.00 O ATOM 1039 CB ARG A 66 8.727 4.572 -11.080 1.00 0.00 C ATOM 1040 CG ARG A 66 7.949 4.603 -12.410 1.00 0.00 C ATOM 1041 CD ARG A 66 6.620 3.842 -12.332 1.00 0.00 C ATOM 1042 NE ARG A 66 6.816 2.430 -11.956 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.877 1.537 -11.723 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.615 1.768 -11.932 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.183 0.363 -11.263 1.00 0.00 N ATOM 0 H ARG A 66 8.652 7.020 -11.354 1.00 0.00 H new ATOM 0 HA ARG A 66 10.529 5.313 -10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.997 3.541 -10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.071 4.914 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.755 5.639 -12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.566 4.171 -13.198 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.968 4.324 -11.604 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.115 3.894 -13.296 1.00 0.00 H new ATOM 0 HE ARG A 66 7.781 2.111 -11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.315 2.674 -12.292 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.925 1.043 -11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.158 0.126 -11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.449 -0.322 -11.085 1.00 0.00 H new ATOM 1059 N ASN A 67 11.096 5.647 -13.273 1.00 0.00 N ATOM 1060 CA ASN A 67 12.086 5.405 -14.328 1.00 0.00 C ATOM 1061 C ASN A 67 13.542 5.654 -13.866 1.00 0.00 C ATOM 1062 O ASN A 67 14.475 5.120 -14.464 1.00 0.00 O ATOM 1063 CB ASN A 67 11.746 6.310 -15.528 1.00 0.00 C ATOM 1064 CG ASN A 67 12.060 7.770 -15.230 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.421 8.403 -14.403 1.00 0.00 O ATOM 1066 ND2 ASN A 67 13.093 8.314 -15.830 1.00 0.00 N ATOM 0 H ASN A 67 10.465 6.418 -13.492 1.00 0.00 H new ATOM 0 HA ASN A 67 12.034 4.352 -14.604 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.311 5.986 -16.402 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.690 6.207 -15.776 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.367 9.271 -15.607 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.622 7.780 -16.519 1.00 0.00 H new ATOM 1073 N GLU A 68 13.752 6.463 -12.818 1.00 0.00 N ATOM 1074 CA GLU A 68 15.078 6.741 -12.243 1.00 0.00 C ATOM 1075 C GLU A 68 15.624 5.569 -11.401 1.00 0.00 C ATOM 1076 O GLU A 68 16.812 5.542 -11.072 1.00 0.00 O ATOM 1077 CB GLU A 68 15.030 8.026 -11.397 1.00 0.00 C ATOM 1078 CG GLU A 68 14.527 9.280 -12.136 1.00 0.00 C ATOM 1079 CD GLU A 68 15.295 9.620 -13.433 1.00 0.00 C ATOM 1080 OE1 GLU A 68 14.670 10.165 -14.376 1.00 0.00 O ATOM 1081 OE2 GLU A 68 16.525 9.383 -13.512 1.00 0.00 O ATOM 0 H GLU A 68 12.995 6.950 -12.338 1.00 0.00 H new ATOM 0 HA GLU A 68 15.764 6.876 -13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.387 7.850 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.030 8.227 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.474 9.143 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.589 10.132 -11.460 1.00 0.00 H new ATOM 1088 N ILE A 69 14.779 4.590 -11.050 1.00 0.00 N ATOM 1089 CA ILE A 69 15.183 3.343 -10.392 1.00 0.00 C ATOM 1090 C ILE A 69 15.879 2.427 -11.411 1.00 0.00 C ATOM 1091 O ILE A 69 15.320 2.126 -12.471 1.00 0.00 O ATOM 1092 CB ILE A 69 13.964 2.629 -9.758 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.216 3.549 -8.763 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.407 1.330 -9.061 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.899 2.952 -8.253 1.00 0.00 C ATOM 0 H ILE A 69 13.775 4.645 -11.220 1.00 0.00 H new ATOM 0 HA ILE A 69 15.881 3.580 -9.589 1.00 0.00 H new ATOM 0 HB ILE A 69 13.271 2.381 -10.562 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.866 3.756 -7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.010 4.504 -9.247 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.539 0.839 -8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.868 0.665 -9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.128 1.565 -8.278 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.428 3.649 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.232 2.770 -9.095 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.100 2.011 -7.740 1.00 0.00 H new ATOM 1107 N LYS A 70 17.071 1.937 -11.058 1.00 0.00 N ATOM 1108 CA LYS A 70 17.807 0.881 -11.776 1.00 0.00 C ATOM 1109 C LYS A 70 17.924 -0.404 -10.944 1.00 0.00 C ATOM 1110 O LYS A 70 17.600 -0.416 -9.754 1.00 0.00 O ATOM 1111 CB LYS A 70 19.178 1.419 -12.234 1.00 0.00 C ATOM 1112 CG LYS A 70 20.168 1.636 -11.074 1.00 0.00 C ATOM 1113 CD LYS A 70 21.585 1.950 -11.577 1.00 0.00 C ATOM 1114 CE LYS A 70 22.619 1.764 -10.457 1.00 0.00 C ATOM 1115 NZ LYS A 70 22.931 0.325 -10.217 1.00 0.00 N ATOM 0 H LYS A 70 17.572 2.274 -10.236 1.00 0.00 H new ATOM 0 HA LYS A 70 17.241 0.604 -12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.614 0.721 -12.948 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.033 2.363 -12.759 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.817 2.455 -10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.195 0.744 -10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.830 1.298 -12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.625 2.974 -11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.535 2.295 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.242 2.211 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.469 0.229 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.045 -0.215 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.497 -0.044 -11.007 1.00 0.00 H new ATOM 1129 N ASN A 71 18.455 -1.472 -11.535 1.00 0.00 N ATOM 1130 CA ASN A 71 18.799 -2.683 -10.790 1.00 0.00 C ATOM 1131 C ASN A 71 19.873 -2.391 -9.716 1.00 0.00 C ATOM 1132 O ASN A 71 20.891 -1.749 -9.992 1.00 0.00 O ATOM 1133 CB ASN A 71 19.234 -3.771 -11.787 1.00 0.00 C ATOM 1134 CG ASN A 71 19.184 -5.150 -11.158 1.00 0.00 C ATOM 1135 OD1 ASN A 71 18.126 -5.638 -10.793 1.00 0.00 O ATOM 1136 ND2 ASN A 71 20.306 -5.811 -10.992 1.00 0.00 N ATOM 0 H ASN A 71 18.658 -1.524 -12.533 1.00 0.00 H new ATOM 0 HA ASN A 71 17.927 -3.047 -10.246 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.585 -3.745 -12.662 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.246 -3.564 -12.135 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.295 -6.734 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.189 -5.402 -11.298 1.00 0.00 H new ATOM 1143 N GLY A 72 19.631 -2.842 -8.484 1.00 0.00 N ATOM 1144 CA GLY A 72 20.486 -2.606 -7.315 1.00 0.00 C ATOM 1145 C GLY A 72 20.275 -1.262 -6.596 1.00 0.00 C ATOM 1146 O GLY A 72 21.084 -0.919 -5.732 1.00 0.00 O ATOM 0 H GLY A 72 18.807 -3.401 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.321 -3.411 -6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.527 -2.669 -7.631 1.00 0.00 H new ATOM 1150 N THR A 73 19.228 -0.492 -6.924 1.00 0.00 N ATOM 1151 CA THR A 73 18.946 0.809 -6.271 1.00 0.00 C ATOM 1152 C THR A 73 18.582 0.635 -4.794 1.00 0.00 C ATOM 1153 O THR A 73 17.717 -0.179 -4.457 1.00 0.00 O ATOM 1154 CB THR A 73 17.809 1.578 -6.966 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.126 1.798 -8.318 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.533 2.962 -6.379 1.00 0.00 C ATOM 0 H THR A 73 18.552 -0.745 -7.645 1.00 0.00 H new ATOM 0 HA THR A 73 19.868 1.385 -6.356 1.00 0.00 H new ATOM 0 HB THR A 73 16.931 0.948 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.087 0.949 -8.805 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.718 3.434 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.255 2.863 -5.330 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.429 3.577 -6.461 1.00 0.00 H new ATOM 1164 N ILE A 74 19.201 1.420 -3.908 1.00 0.00 N ATOM 1165 CA ILE A 74 18.800 1.529 -2.502 1.00 0.00 C ATOM 1166 C ILE A 74 17.682 2.575 -2.371 1.00 0.00 C ATOM 1167 O ILE A 74 17.810 3.718 -2.828 1.00 0.00 O ATOM 1168 CB ILE A 74 19.999 1.820 -1.573 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.143 0.802 -1.806 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.548 1.777 -0.097 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.427 1.123 -1.038 1.00 0.00 C ATOM 0 H ILE A 74 20.002 2.003 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 74 18.410 0.566 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 74 20.375 2.816 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.797 -0.190 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.369 0.763 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.401 1.983 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.776 2.528 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.149 0.789 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.179 0.364 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.799 2.101 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.218 1.133 0.032 1.00 0.00 H new ATOM 1183 N LEU A 75 16.585 2.176 -1.731 1.00 0.00 N ATOM 1184 CA LEU A 75 15.379 2.967 -1.479 1.00 0.00 C ATOM 1185 C LEU A 75 15.059 3.014 0.026 1.00 0.00 C ATOM 1186 O LEU A 75 15.655 2.296 0.828 1.00 0.00 O ATOM 1187 CB LEU A 75 14.199 2.374 -2.277 1.00 0.00 C ATOM 1188 CG LEU A 75 14.353 2.343 -3.810 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.117 1.690 -4.428 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.487 3.742 -4.412 1.00 0.00 C ATOM 0 H LEU A 75 16.508 1.233 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 75 15.550 3.992 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.031 1.354 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.302 2.945 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 75 15.261 1.781 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.222 1.666 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.016 0.672 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.230 2.265 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.593 3.664 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.598 4.327 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.366 4.234 -3.996 1.00 0.00 H new ATOM 1202 N ARG A 76 14.085 3.839 0.408 1.00 0.00 N ATOM 1203 CA ARG A 76 13.548 4.008 1.767 1.00 0.00 C ATOM 1204 C ARG A 76 12.022 4.002 1.736 1.00 0.00 C ATOM 1205 O ARG A 76 11.428 4.645 0.871 1.00 0.00 O ATOM 1206 CB ARG A 76 14.078 5.334 2.354 1.00 0.00 C ATOM 1207 CG ARG A 76 15.486 5.135 2.919 1.00 0.00 C ATOM 1208 CD ARG A 76 16.297 6.416 3.106 1.00 0.00 C ATOM 1209 NE ARG A 76 17.647 6.035 3.552 1.00 0.00 N ATOM 1210 CZ ARG A 76 18.733 6.766 3.654 1.00 0.00 C ATOM 1211 NH1 ARG A 76 18.757 8.046 3.413 1.00 0.00 N ATOM 1212 NH2 ARG A 76 19.826 6.162 4.008 1.00 0.00 N ATOM 0 H ARG A 76 13.617 4.448 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 76 13.874 3.181 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.093 6.102 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.409 5.686 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.406 4.630 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.036 4.469 2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.347 6.976 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.821 7.065 3.841 1.00 0.00 H new ATOM 0 HE ARG A 76 17.755 5.057 3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.904 8.528 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.629 8.567 3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.817 5.159 4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.694 6.690 4.100 1.00 0.00 H new ATOM 1226 N LEU A 77 11.387 3.295 2.669 1.00 0.00 N ATOM 1227 CA LEU A 77 9.942 3.395 2.896 1.00 0.00 C ATOM 1228 C LEU A 77 9.641 4.616 3.783 1.00 0.00 C ATOM 1229 O LEU A 77 10.353 4.874 4.755 1.00 0.00 O ATOM 1230 CB LEU A 77 9.419 2.073 3.489 1.00 0.00 C ATOM 1231 CG LEU A 77 7.919 2.064 3.806 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.092 2.115 2.516 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.529 0.801 4.562 1.00 0.00 C ATOM 0 H LEU A 77 11.857 2.636 3.290 1.00 0.00 H new ATOM 0 HA LEU A 77 9.416 3.550 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.634 1.266 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.971 1.857 4.403 1.00 0.00 H new ATOM 0 HG LEU A 77 7.716 2.942 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.031 2.108 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.330 3.026 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.326 1.248 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.460 0.820 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.763 -0.073 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.084 0.751 5.499 1.00 0.00 H new ATOM 1245 N THR A 78 8.596 5.378 3.451 1.00 0.00 N ATOM 1246 CA THR A 78 8.242 6.628 4.143 1.00 0.00 C ATOM 1247 C THR A 78 6.757 6.970 3.959 1.00 0.00 C ATOM 1248 O THR A 78 6.161 6.604 2.945 1.00 0.00 O ATOM 1249 CB THR A 78 9.167 7.764 3.655 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.819 8.980 4.276 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.163 7.980 2.135 1.00 0.00 C ATOM 0 H THR A 78 7.962 5.145 2.686 1.00 0.00 H new ATOM 0 HA THR A 78 8.393 6.499 5.215 1.00 0.00 H new ATOM 0 HB THR A 78 10.172 7.446 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.414 9.691 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.840 8.796 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.492 7.068 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.154 8.230 1.806 1.00 0.00 H new ATOM 1259 N THR A 79 6.120 7.647 4.919 1.00 0.00 N ATOM 1260 CA THR A 79 4.765 8.196 4.723 1.00 0.00 C ATOM 1261 C THR A 79 4.806 9.377 3.745 1.00 0.00 C ATOM 1262 O THR A 79 5.591 10.316 3.901 1.00 0.00 O ATOM 1263 CB THR A 79 4.074 8.590 6.040 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.928 9.350 6.877 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.602 7.360 6.819 1.00 0.00 C ATOM 0 H THR A 79 6.516 7.831 5.841 1.00 0.00 H new ATOM 0 HA THR A 79 4.159 7.398 4.294 1.00 0.00 H new ATOM 0 HB THR A 79 3.213 9.196 5.758 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.454 9.583 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.119 7.678 7.743 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.892 6.796 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.458 6.729 7.056 1.00 0.00 H new ATOM 1273 N SER A 80 3.966 9.321 2.710 1.00 0.00 N ATOM 1274 CA SER A 80 3.951 10.257 1.583 1.00 0.00 C ATOM 1275 C SER A 80 3.529 11.676 1.996 1.00 0.00 C ATOM 1276 O SER A 80 2.570 11.817 2.761 1.00 0.00 O ATOM 1277 CB SER A 80 2.986 9.734 0.515 1.00 0.00 C ATOM 1278 OG SER A 80 2.926 10.627 -0.582 1.00 0.00 O ATOM 0 H SER A 80 3.252 8.597 2.630 1.00 0.00 H new ATOM 0 HA SER A 80 4.968 10.322 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.311 8.751 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.992 9.610 0.945 1.00 0.00 H new ATOM 0 HG SER A 80 2.306 10.277 -1.256 1.00 0.00 H new ATOM 1284 N PRO A 81 4.138 12.747 1.450 1.00 0.00 N ATOM 1285 CA PRO A 81 3.652 14.115 1.652 1.00 0.00 C ATOM 1286 C PRO A 81 2.233 14.315 1.081 1.00 0.00 C ATOM 1287 O PRO A 81 1.471 15.142 1.589 1.00 0.00 O ATOM 1288 CB PRO A 81 4.692 15.008 0.964 1.00 0.00 C ATOM 1289 CG PRO A 81 5.271 14.116 -0.132 1.00 0.00 C ATOM 1290 CD PRO A 81 5.259 12.737 0.521 1.00 0.00 C ATOM 0 HA PRO A 81 3.553 14.360 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.236 15.907 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.463 15.335 1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.665 14.141 -1.038 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.278 14.422 -0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.141 11.952 -0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.197 12.543 1.042 1.00 0.00 H new ATOM 1298 N ALA A 82 1.843 13.520 0.075 1.00 0.00 N ATOM 1299 CA ALA A 82 0.509 13.534 -0.522 1.00 0.00 C ATOM 1300 C ALA A 82 -0.565 12.803 0.313 1.00 0.00 C ATOM 1301 O ALA A 82 -1.755 12.973 0.039 1.00 0.00 O ATOM 1302 CB ALA A 82 0.613 12.947 -1.937 1.00 0.00 C ATOM 0 H ALA A 82 2.465 12.834 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 82 0.168 14.569 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.372 12.947 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.297 13.552 -2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.988 11.925 -1.880 1.00 0.00 H new ATOM 1308 N GLN A 83 -0.205 12.024 1.349 1.00 0.00 N ATOM 1309 CA GLN A 83 -1.196 11.287 2.157 1.00 0.00 C ATOM 1310 C GLN A 83 -2.122 12.198 2.982 1.00 0.00 C ATOM 1311 O GLN A 83 -3.162 11.748 3.459 1.00 0.00 O ATOM 1312 CB GLN A 83 -0.531 10.202 3.021 1.00 0.00 C ATOM 1313 CG GLN A 83 0.154 10.683 4.316 1.00 0.00 C ATOM 1314 CD GLN A 83 -0.554 10.267 5.612 1.00 0.00 C ATOM 1315 OE1 GLN A 83 0.073 9.819 6.563 1.00 0.00 O ATOM 1316 NE2 GLN A 83 -1.863 10.374 5.719 1.00 0.00 N ATOM 0 H GLN A 83 0.761 11.888 1.646 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.848 10.786 1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.289 9.466 3.288 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.212 9.688 2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.173 10.297 4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.225 11.770 4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.410 10.744 4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.330 10.087 6.579 1.00 0.00 H new ATOM 1325 N ASN A 84 -1.776 13.481 3.122 1.00 0.00 N ATOM 1326 CA ASN A 84 -2.635 14.523 3.694 1.00 0.00 C ATOM 1327 C ASN A 84 -3.897 14.798 2.842 1.00 0.00 C ATOM 1328 O ASN A 84 -4.892 15.307 3.363 1.00 0.00 O ATOM 1329 CB ASN A 84 -1.787 15.799 3.857 1.00 0.00 C ATOM 1330 CG ASN A 84 -0.628 15.614 4.823 1.00 0.00 C ATOM 1331 OD1 ASN A 84 -0.808 15.519 6.030 1.00 0.00 O ATOM 1332 ND2 ASN A 84 0.593 15.545 4.341 1.00 0.00 N ATOM 0 H ASN A 84 -0.864 13.834 2.832 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.006 14.181 4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.399 16.099 2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.423 16.610 4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.384 15.413 4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.750 15.623 3.336 1.00 0.00 H new ATOM 1339 N ALA A 85 -3.869 14.453 1.547 1.00 0.00 N ATOM 1340 CA ALA A 85 -4.967 14.626 0.591 1.00 0.00 C ATOM 1341 C ALA A 85 -5.805 13.347 0.344 1.00 0.00 C ATOM 1342 O ALA A 85 -6.681 13.352 -0.526 1.00 0.00 O ATOM 1343 CB ALA A 85 -4.371 15.193 -0.706 1.00 0.00 C ATOM 0 H ALA A 85 -3.045 14.028 1.121 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.689 15.322 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.164 15.334 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.894 16.151 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.631 14.497 -1.101 1.00 0.00 H new ATOM 1349 N GLN A 86 -5.557 12.249 1.076 1.00 0.00 N ATOM 1350 CA GLN A 86 -6.339 11.006 0.960 1.00 0.00 C ATOM 1351 C GLN A 86 -7.816 11.187 1.365 1.00 0.00 C ATOM 1352 O GLN A 86 -8.157 12.039 2.190 1.00 0.00 O ATOM 1353 CB GLN A 86 -5.687 9.869 1.777 1.00 0.00 C ATOM 1354 CG GLN A 86 -4.466 9.233 1.089 1.00 0.00 C ATOM 1355 CD GLN A 86 -4.817 8.305 -0.082 1.00 0.00 C ATOM 1356 OE1 GLN A 86 -5.903 8.326 -0.648 1.00 0.00 O ATOM 1357 NE2 GLN A 86 -3.910 7.454 -0.509 1.00 0.00 N ATOM 0 H GLN A 86 -4.808 12.197 1.766 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.333 10.733 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.383 10.260 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.431 9.095 1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.813 10.027 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.899 8.668 1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.996 7.413 -0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.120 6.835 -1.292 1.00 0.00 H new ATOM 1366 N GLN A 87 -8.690 10.363 0.779 1.00 0.00 N ATOM 1367 CA GLN A 87 -10.153 10.398 0.942 1.00 0.00 C ATOM 1368 C GLN A 87 -10.738 8.983 1.116 1.00 0.00 C ATOM 1369 O GLN A 87 -10.070 7.983 0.838 1.00 0.00 O ATOM 1370 CB GLN A 87 -10.806 11.109 -0.263 1.00 0.00 C ATOM 1371 CG GLN A 87 -10.315 12.553 -0.469 1.00 0.00 C ATOM 1372 CD GLN A 87 -11.072 13.320 -1.557 1.00 0.00 C ATOM 1373 OE1 GLN A 87 -12.055 12.872 -2.137 1.00 0.00 O ATOM 1374 NE2 GLN A 87 -10.640 14.521 -1.882 1.00 0.00 N ATOM 0 H GLN A 87 -8.387 9.619 0.150 1.00 0.00 H new ATOM 0 HA GLN A 87 -10.376 10.959 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.604 10.533 -1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.887 11.118 -0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.406 13.094 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.255 12.533 -0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.824 14.914 -1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.121 15.058 -2.603 1.00 0.00 H new ATOM 1383 N LEU A 88 -11.993 8.889 1.571 1.00 0.00 N ATOM 1384 CA LEU A 88 -12.707 7.617 1.740 1.00 0.00 C ATOM 1385 C LEU A 88 -12.968 6.922 0.390 1.00 0.00 C ATOM 1386 O LEU A 88 -13.479 7.537 -0.552 1.00 0.00 O ATOM 1387 CB LEU A 88 -14.021 7.844 2.506 1.00 0.00 C ATOM 1388 CG LEU A 88 -13.852 8.411 3.927 1.00 0.00 C ATOM 1389 CD1 LEU A 88 -15.232 8.572 4.558 1.00 0.00 C ATOM 1390 CD2 LEU A 88 -13.019 7.510 4.843 1.00 0.00 C ATOM 0 H LEU A 88 -12.548 9.703 1.835 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.071 6.951 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.647 8.526 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.556 6.897 2.570 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.327 9.361 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.127 8.973 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.830 9.256 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.727 7.602 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -12.939 7.968 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.502 6.537 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -12.023 7.383 4.420 1.00 0.00 H new ATOM 1402 N HIS A 89 -12.639 5.630 0.314 1.00 0.00 N ATOM 1403 CA HIS A 89 -12.812 4.762 -0.863 1.00 0.00 C ATOM 1404 C HIS A 89 -12.839 3.272 -0.478 1.00 0.00 C ATOM 1405 O HIS A 89 -12.479 2.897 0.641 1.00 0.00 O ATOM 1406 CB HIS A 89 -11.732 5.075 -1.924 1.00 0.00 C ATOM 1407 CG HIS A 89 -10.274 5.060 -1.498 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -9.242 5.661 -2.230 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -9.724 4.440 -0.410 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -8.108 5.415 -1.552 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -8.370 4.678 -0.461 1.00 0.00 N ATOM 0 H HIS A 89 -12.226 5.134 1.104 1.00 0.00 H new ATOM 0 HA HIS A 89 -13.785 4.977 -1.305 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.848 4.358 -2.737 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.947 6.061 -2.336 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.251 3.873 0.343 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -7.127 5.761 -1.843 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -7.681 4.350 0.216 1.00 0.00 H new ATOM 1419 N GLU A 90 -13.287 2.409 -1.392 1.00 0.00 N ATOM 1420 CA GLU A 90 -13.341 0.954 -1.180 1.00 0.00 C ATOM 1421 C GLU A 90 -11.961 0.283 -1.329 1.00 0.00 C ATOM 1422 O GLU A 90 -11.201 0.586 -2.256 1.00 0.00 O ATOM 1423 CB GLU A 90 -14.345 0.305 -2.152 1.00 0.00 C ATOM 1424 CG GLU A 90 -15.782 0.847 -2.050 1.00 0.00 C ATOM 1425 CD GLU A 90 -16.377 0.782 -0.627 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -16.135 -0.209 0.105 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -17.119 1.719 -0.239 1.00 0.00 O ATOM 0 H GLU A 90 -13.626 2.699 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.671 0.798 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.988 0.450 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.363 -0.770 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.794 1.882 -2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.422 0.281 -2.727 1.00 0.00 H new ATOM 1434 N ARG A 91 -11.652 -0.674 -0.443 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.476 -1.561 -0.544 1.00 0.00 C ATOM 1436 C ARG A 91 -10.707 -2.637 -1.618 1.00 0.00 C ATOM 1437 O ARG A 91 -11.791 -3.220 -1.683 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.208 -2.186 0.842 1.00 0.00 C ATOM 1439 CG ARG A 91 -8.880 -2.954 0.984 1.00 0.00 C ATOM 1440 CD ARG A 91 -7.687 -2.091 1.421 1.00 0.00 C ATOM 1441 NE ARG A 91 -7.268 -1.108 0.396 1.00 0.00 N ATOM 1442 CZ ARG A 91 -7.096 0.193 0.567 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -7.361 0.815 1.676 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -6.630 0.946 -0.382 1.00 0.00 N ATOM 0 H ARG A 91 -12.222 -0.860 0.382 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.599 -0.989 -0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.229 -1.392 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.027 -2.866 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.015 -3.757 1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.642 -3.423 0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.947 -1.561 2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.844 -2.741 1.657 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.094 -1.472 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.723 0.298 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.207 1.821 1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.387 0.537 -1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.507 1.946 -0.225 1.00 0.00 H new ATOM 1458 N ILE A 92 -9.686 -2.937 -2.430 1.00 0.00 N ATOM 1459 CA ILE A 92 -9.737 -4.001 -3.456 1.00 0.00 C ATOM 1460 C ILE A 92 -9.829 -5.390 -2.795 1.00 0.00 C ATOM 1461 O ILE A 92 -10.715 -6.180 -3.125 1.00 0.00 O ATOM 1462 CB ILE A 92 -8.528 -3.882 -4.421 1.00 0.00 C ATOM 1463 CG1 ILE A 92 -8.603 -2.550 -5.209 1.00 0.00 C ATOM 1464 CG2 ILE A 92 -8.459 -5.076 -5.394 1.00 0.00 C ATOM 1465 CD1 ILE A 92 -7.344 -2.225 -6.026 1.00 0.00 C ATOM 0 H ILE A 92 -8.792 -2.448 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.639 -3.875 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.619 -3.892 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.459 -2.588 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.786 -1.736 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.600 -4.958 -6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.357 -6.002 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.371 -5.114 -5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.482 -1.277 -6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.486 -2.151 -5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.169 -3.016 -6.755 1.00 0.00 H new ATOM 1477 N GLN A 93 -8.946 -5.665 -1.827 1.00 0.00 N ATOM 1478 CA GLN A 93 -8.972 -6.851 -0.959 1.00 0.00 C ATOM 1479 C GLN A 93 -8.233 -6.567 0.362 1.00 0.00 C ATOM 1480 O GLN A 93 -7.130 -6.013 0.353 1.00 0.00 O ATOM 1481 CB GLN A 93 -8.367 -8.057 -1.710 1.00 0.00 C ATOM 1482 CG GLN A 93 -8.312 -9.367 -0.906 1.00 0.00 C ATOM 1483 CD GLN A 93 -9.684 -9.824 -0.407 1.00 0.00 C ATOM 1484 OE1 GLN A 93 -10.169 -9.392 0.631 1.00 0.00 O ATOM 1485 NE2 GLN A 93 -10.373 -10.683 -1.129 1.00 0.00 N ATOM 0 H GLN A 93 -8.164 -5.045 -1.618 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.004 -7.095 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.948 -8.229 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.356 -7.799 -2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.879 -10.150 -1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.647 -9.235 -0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.981 -11.051 -1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.299 -10.981 -0.821 1.00 0.00 H new ATOM 1494 N SER A 94 -8.829 -6.941 1.496 1.00 0.00 N ATOM 1495 CA SER A 94 -8.279 -6.723 2.845 1.00 0.00 C ATOM 1496 C SER A 94 -7.225 -7.766 3.247 1.00 0.00 C ATOM 1497 O SER A 94 -6.244 -7.422 3.909 1.00 0.00 O ATOM 1498 CB SER A 94 -9.415 -6.748 3.878 1.00 0.00 C ATOM 1499 OG SER A 94 -10.410 -5.782 3.573 1.00 0.00 O ATOM 0 H SER A 94 -9.731 -7.417 1.507 1.00 0.00 H new ATOM 0 HA SER A 94 -7.787 -5.751 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.864 -7.741 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.010 -6.555 4.872 1.00 0.00 H new ATOM 0 HG SER A 94 -11.121 -5.821 4.246 1.00 0.00 H new ATOM 1505 N SER A 95 -7.410 -9.032 2.853 1.00 0.00 N ATOM 1506 CA SER A 95 -6.504 -10.154 3.154 1.00 0.00 C ATOM 1507 C SER A 95 -6.715 -11.339 2.198 1.00 0.00 C ATOM 1508 O SER A 95 -7.805 -11.520 1.650 1.00 0.00 O ATOM 1509 CB SER A 95 -6.715 -10.623 4.601 1.00 0.00 C ATOM 1510 OG SER A 95 -5.798 -11.652 4.934 1.00 0.00 O ATOM 0 H SER A 95 -8.218 -9.315 2.299 1.00 0.00 H new ATOM 0 HA SER A 95 -5.484 -9.793 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.589 -9.782 5.283 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.736 -10.984 4.726 1.00 0.00 H new ATOM 0 HG SER A 95 -6.271 -12.374 5.398 1.00 0.00 H new ATOM 1516 N SER A 96 -5.687 -12.172 2.016 1.00 0.00 N ATOM 1517 CA SER A 96 -5.770 -13.448 1.286 1.00 0.00 C ATOM 1518 C SER A 96 -6.479 -14.564 2.077 1.00 0.00 C ATOM 1519 O SER A 96 -6.960 -15.525 1.469 1.00 0.00 O ATOM 1520 CB SER A 96 -4.356 -13.904 0.905 1.00 0.00 C ATOM 1521 OG SER A 96 -3.554 -14.097 2.062 1.00 0.00 O ATOM 0 H SER A 96 -4.753 -11.978 2.378 1.00 0.00 H new ATOM 0 HA SER A 96 -6.375 -13.267 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.410 -14.833 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.893 -13.160 0.257 1.00 0.00 H new ATOM 0 HG SER A 96 -2.658 -14.389 1.794 1.00 0.00 H new ATOM 1527 N MET A 97 -6.570 -14.450 3.410 1.00 0.00 N ATOM 1528 CA MET A 97 -7.172 -15.448 4.314 1.00 0.00 C ATOM 1529 C MET A 97 -7.884 -14.794 5.510 1.00 0.00 C ATOM 1530 O MET A 97 -7.404 -13.813 6.077 1.00 0.00 O ATOM 1531 CB MET A 97 -6.105 -16.426 4.841 1.00 0.00 C ATOM 1532 CG MET A 97 -5.425 -17.256 3.747 1.00 0.00 C ATOM 1533 SD MET A 97 -4.297 -18.525 4.384 1.00 0.00 S ATOM 1534 CE MET A 97 -3.722 -19.225 2.811 1.00 0.00 C ATOM 0 H MET A 97 -6.215 -13.634 3.908 1.00 0.00 H new ATOM 0 HA MET A 97 -7.912 -15.990 3.726 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.344 -15.861 5.380 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.569 -17.102 5.559 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.192 -17.737 3.140 1.00 0.00 H new ATOM 0 HG3 MET A 97 -4.870 -16.587 3.089 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.013 -20.029 3.008 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.573 -19.620 2.256 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.235 -18.447 2.223 1.00 0.00 H new ATOM 1544 N ASP A 98 -9.000 -15.383 5.951 1.00 0.00 N ATOM 1545 CA ASP A 98 -9.787 -14.943 7.119 1.00 0.00 C ATOM 1546 C ASP A 98 -9.250 -15.496 8.467 1.00 0.00 C ATOM 1547 O ASP A 98 -10.007 -15.754 9.408 1.00 0.00 O ATOM 1548 CB ASP A 98 -11.269 -15.292 6.875 1.00 0.00 C ATOM 1549 CG ASP A 98 -12.256 -14.559 7.806 1.00 0.00 C ATOM 1550 OD1 ASP A 98 -13.390 -15.068 7.988 1.00 0.00 O ATOM 1551 OD2 ASP A 98 -11.945 -13.452 8.310 1.00 0.00 O ATOM 0 H ASP A 98 -9.397 -16.204 5.495 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.686 -13.862 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.520 -15.056 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.402 -16.367 6.998 1.00 0.00 H new ATOM 1556 N ALA A 99 -7.939 -15.751 8.553 1.00 0.00 N ATOM 1557 CA ALA A 99 -7.276 -16.325 9.726 1.00 0.00 C ATOM 1558 C ALA A 99 -7.209 -15.339 10.915 1.00 0.00 C ATOM 1559 O ALA A 99 -6.967 -14.140 10.734 1.00 0.00 O ATOM 1560 CB ALA A 99 -5.880 -16.806 9.311 1.00 0.00 C ATOM 0 H ALA A 99 -7.294 -15.558 7.787 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.866 -17.169 10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.372 -17.237 10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.972 -17.561 8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.302 -15.963 8.933 1.00 0.00 H new ATOM 1566 N LYS A 100 -7.390 -15.851 12.141 1.00 0.00 N ATOM 1567 CA LYS A 100 -7.298 -15.071 13.392 1.00 0.00 C ATOM 1568 C LYS A 100 -5.840 -14.814 13.803 1.00 0.00 C ATOM 1569 O LYS A 100 -4.992 -15.705 13.699 1.00 0.00 O ATOM 1570 CB LYS A 100 -8.063 -15.774 14.529 1.00 0.00 C ATOM 1571 CG LYS A 100 -9.579 -15.841 14.261 1.00 0.00 C ATOM 1572 CD LYS A 100 -10.379 -16.350 15.472 1.00 0.00 C ATOM 1573 CE LYS A 100 -10.044 -17.786 15.910 1.00 0.00 C ATOM 1574 NZ LYS A 100 -10.494 -18.803 14.922 1.00 0.00 N ATOM 0 H LYS A 100 -7.608 -16.835 12.298 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.760 -14.102 13.204 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.674 -16.784 14.655 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.885 -15.245 15.465 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.938 -14.850 13.985 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.764 -16.495 13.409 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.204 -15.679 16.313 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.442 -16.296 15.236 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.967 -17.876 16.055 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.513 -17.987 16.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.245 -19.753 15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.525 -18.738 14.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.027 -18.630 14.009 1.00 0.00 H new ATOM 1588 N LEU A 101 -5.563 -13.609 14.306 1.00 0.00 N ATOM 1589 CA LEU A 101 -4.275 -13.225 14.899 1.00 0.00 C ATOM 1590 C LEU A 101 -4.133 -13.760 16.340 1.00 0.00 C ATOM 1591 O LEU A 101 -5.121 -13.887 17.067 1.00 0.00 O ATOM 1592 CB LEU A 101 -4.150 -11.687 14.818 1.00 0.00 C ATOM 1593 CG LEU A 101 -2.822 -11.088 15.324 1.00 0.00 C ATOM 1594 CD1 LEU A 101 -1.617 -11.555 14.501 1.00 0.00 C ATOM 1595 CD2 LEU A 101 -2.883 -9.562 15.242 1.00 0.00 C ATOM 0 H LEU A 101 -6.245 -12.851 14.313 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.454 -13.677 14.342 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.289 -11.385 13.780 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.966 -11.246 15.390 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.694 -11.429 16.351 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.708 -11.104 14.899 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.538 -12.641 14.556 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.747 -11.253 13.462 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.944 -9.141 15.600 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.046 -9.259 14.208 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.703 -9.197 15.860 1.00 0.00 H new ATOM 1607 N GLU A 102 -2.901 -14.037 16.770 1.00 0.00 N ATOM 1608 CA GLU A 102 -2.551 -14.456 18.138 1.00 0.00 C ATOM 1609 C GLU A 102 -1.168 -13.919 18.565 1.00 0.00 C ATOM 1610 O GLU A 102 -0.360 -13.508 17.726 1.00 0.00 O ATOM 1611 CB GLU A 102 -2.644 -15.990 18.268 1.00 0.00 C ATOM 1612 CG GLU A 102 -1.624 -16.763 17.413 1.00 0.00 C ATOM 1613 CD GLU A 102 -1.689 -18.290 17.634 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -2.781 -18.845 17.912 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -0.633 -18.959 17.513 1.00 0.00 O ATOM 0 H GLU A 102 -2.087 -13.975 16.158 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.275 -14.018 18.825 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.504 -16.263 19.314 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.649 -16.306 17.988 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.801 -16.546 16.360 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.620 -16.410 17.647 1.00 0.00 H new ATOM 1622 N ALA A 103 -0.895 -13.925 19.875 1.00 0.00 N ATOM 1623 CA ALA A 103 0.346 -13.431 20.483 1.00 0.00 C ATOM 1624 C ALA A 103 0.725 -14.225 21.753 1.00 0.00 C ATOM 1625 O ALA A 103 -0.116 -14.893 22.361 1.00 0.00 O ATOM 1626 CB ALA A 103 0.184 -11.933 20.782 1.00 0.00 C ATOM 0 H ALA A 103 -1.554 -14.286 20.564 1.00 0.00 H new ATOM 0 HA ALA A 103 1.168 -13.576 19.782 1.00 0.00 H new ATOM 0 HB1 ALA A 103 1.099 -11.551 21.235 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.013 -11.396 19.854 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.649 -11.787 21.470 1.00 0.00 H new ATOM 1632 N LEU A 104 1.996 -14.136 22.166 1.00 0.00 N ATOM 1633 CA LEU A 104 2.546 -14.865 23.324 1.00 0.00 C ATOM 1634 C LEU A 104 2.084 -14.322 24.693 1.00 0.00 C ATOM 1635 O LEU A 104 2.221 -15.014 25.707 1.00 0.00 O ATOM 1636 CB LEU A 104 4.086 -14.868 23.241 1.00 0.00 C ATOM 1637 CG LEU A 104 4.686 -15.514 21.976 1.00 0.00 C ATOM 1638 CD1 LEU A 104 6.211 -15.402 22.017 1.00 0.00 C ATOM 1639 CD2 LEU A 104 4.321 -16.994 21.844 1.00 0.00 C ATOM 0 H LEU A 104 2.685 -13.546 21.699 1.00 0.00 H new ATOM 0 HA LEU A 104 2.154 -15.880 23.266 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.437 -13.838 23.302 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.478 -15.390 24.114 1.00 0.00 H new ATOM 0 HG LEU A 104 4.271 -14.980 21.121 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.634 -15.859 21.122 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.498 -14.351 22.058 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.590 -15.916 22.900 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.769 -17.400 20.937 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.697 -17.540 22.709 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.237 -17.098 21.792 1.00 0.00 H new ATOM 1651 N LYS A 105 1.541 -13.098 24.727 1.00 0.00 N ATOM 1652 CA LYS A 105 1.037 -12.400 25.926 1.00 0.00 C ATOM 1653 C LYS A 105 -0.096 -11.417 25.598 1.00 0.00 C ATOM 1654 O LYS A 105 -0.263 -11.012 24.445 1.00 0.00 O ATOM 1655 CB LYS A 105 2.212 -11.755 26.699 1.00 0.00 C ATOM 1656 CG LYS A 105 3.100 -10.744 25.942 1.00 0.00 C ATOM 1657 CD LYS A 105 2.492 -9.340 25.831 1.00 0.00 C ATOM 1658 CE LYS A 105 3.499 -8.350 25.237 1.00 0.00 C ATOM 1659 NZ LYS A 105 2.921 -6.983 25.155 1.00 0.00 N ATOM 0 H LYS A 105 1.434 -12.538 23.881 1.00 0.00 H new ATOM 0 HA LYS A 105 0.580 -13.135 26.588 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.801 -11.251 27.574 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.853 -12.557 27.064 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.063 -10.673 26.447 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.293 -11.125 24.939 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.599 -9.375 25.206 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.178 -8.997 26.817 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.400 -8.331 25.850 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.797 -8.682 24.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.624 -6.333 24.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.075 -7.000 24.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 2.659 -6.659 26.108 1.00 0.00 H new ATOM 1673 N ASP A 106 -0.872 -11.040 26.612 1.00 0.00 N ATOM 1674 CA ASP A 106 -1.965 -10.058 26.504 1.00 0.00 C ATOM 1675 C ASP A 106 -1.452 -8.606 26.429 1.00 0.00 C ATOM 1676 O ASP A 106 -0.358 -8.291 26.900 1.00 0.00 O ATOM 1677 CB ASP A 106 -2.938 -10.214 27.688 1.00 0.00 C ATOM 1678 CG ASP A 106 -3.622 -11.591 27.791 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -4.080 -11.942 28.904 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -3.744 -12.314 26.771 1.00 0.00 O ATOM 0 H ASP A 106 -0.761 -11.413 27.555 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.487 -10.263 25.569 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.394 -10.025 28.613 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.709 -9.447 27.609 1.00 0.00 H new ATOM 1685 N LEU A 107 -2.268 -7.693 25.887 1.00 0.00 N ATOM 1686 CA LEU A 107 -1.948 -6.257 25.763 1.00 0.00 C ATOM 1687 C LEU A 107 -1.912 -5.473 27.099 1.00 0.00 C ATOM 1688 O LEU A 107 -1.602 -4.281 27.109 1.00 0.00 O ATOM 1689 CB LEU A 107 -2.868 -5.613 24.701 1.00 0.00 C ATOM 1690 CG LEU A 107 -4.396 -5.724 24.899 1.00 0.00 C ATOM 1691 CD1 LEU A 107 -4.924 -4.987 26.131 1.00 0.00 C ATOM 1692 CD2 LEU A 107 -5.102 -5.140 23.673 1.00 0.00 C ATOM 0 H LEU A 107 -3.187 -7.932 25.514 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.914 -6.192 25.423 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.616 -4.554 24.639 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.624 -6.056 23.735 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.603 -6.785 25.039 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.004 -5.115 26.196 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.455 -5.394 27.027 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.689 -3.926 26.049 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.181 -5.215 23.805 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.822 -4.093 23.556 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.806 -5.696 22.783 1.00 0.00 H new ATOM 1704 N ALA A 108 -2.202 -6.128 28.227 1.00 0.00 N ATOM 1705 CA ALA A 108 -2.268 -5.551 29.576 1.00 0.00 C ATOM 1706 C ALA A 108 -0.892 -5.271 30.237 1.00 0.00 C ATOM 1707 O ALA A 108 -0.795 -5.177 31.463 1.00 0.00 O ATOM 1708 CB ALA A 108 -3.161 -6.467 30.427 1.00 0.00 C ATOM 0 H ALA A 108 -2.408 -7.127 28.225 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.700 -4.553 29.500 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.233 -6.068 31.439 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.156 -6.517 29.985 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.728 -7.467 30.461 1.00 0.00 H new ATOM 1714 N SER A 109 0.182 -5.128 29.447 1.00 0.00 N ATOM 1715 CA SER A 109 1.587 -5.008 29.890 1.00 0.00 C ATOM 1716 C SER A 109 1.927 -3.767 30.740 1.00 0.00 C ATOM 1717 O SER A 109 3.066 -3.626 31.193 1.00 0.00 O ATOM 1718 CB SER A 109 2.515 -5.050 28.668 1.00 0.00 C ATOM 1719 OG SER A 109 2.245 -6.191 27.866 1.00 0.00 O ATOM 0 H SER A 109 0.095 -5.091 28.431 1.00 0.00 H new ATOM 0 HA SER A 109 1.740 -5.858 30.555 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.384 -4.145 28.075 1.00 0.00 H new ATOM 0 HB3 SER A 109 3.554 -5.069 28.996 1.00 0.00 H new ATOM 0 HG SER A 109 2.968 -6.844 27.972 1.00 0.00 H new ATOM 1725 N LEU A 110 0.963 -2.872 30.986 1.00 0.00 N ATOM 1726 CA LEU A 110 1.071 -1.761 31.945 1.00 0.00 C ATOM 1727 C LEU A 110 1.098 -2.229 33.419 1.00 0.00 C ATOM 1728 O LEU A 110 1.453 -1.445 34.303 1.00 0.00 O ATOM 1729 CB LEU A 110 -0.099 -0.781 31.717 1.00 0.00 C ATOM 1730 CG LEU A 110 -0.192 -0.168 30.305 1.00 0.00 C ATOM 1731 CD1 LEU A 110 -1.417 0.744 30.223 1.00 0.00 C ATOM 1732 CD2 LEU A 110 1.043 0.659 29.942 1.00 0.00 C ATOM 0 H LEU A 110 0.061 -2.899 30.511 1.00 0.00 H new ATOM 0 HA LEU A 110 2.025 -1.266 31.765 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.032 -1.303 31.929 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.016 0.030 32.440 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.267 -0.999 29.603 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.482 1.177 29.225 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.317 0.164 30.426 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.326 1.542 30.960 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.925 1.067 28.938 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.156 1.476 30.655 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.928 0.024 29.974 1.00 0.00 H new ATOM 1744 N SER A 111 0.729 -3.486 33.700 1.00 0.00 N ATOM 1745 CA SER A 111 0.784 -4.097 35.039 1.00 0.00 C ATOM 1746 C SER A 111 2.220 -4.259 35.578 1.00 0.00 C ATOM 1747 O SER A 111 3.199 -4.278 34.821 1.00 0.00 O ATOM 1748 CB SER A 111 0.058 -5.451 35.025 1.00 0.00 C ATOM 1749 OG SER A 111 0.732 -6.396 34.207 1.00 0.00 O ATOM 0 H SER A 111 0.375 -4.123 32.987 1.00 0.00 H new ATOM 0 HA SER A 111 0.279 -3.412 35.721 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.015 -5.836 36.042 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.961 -5.315 34.661 1.00 0.00 H new ATOM 0 HG SER A 111 0.246 -7.247 34.221 1.00 0.00 H new ATOM 1755 N ARG A 112 2.349 -4.378 36.908 1.00 0.00 N ATOM 1756 CA ARG A 112 3.622 -4.536 37.640 1.00 0.00 C ATOM 1757 C ARG A 112 3.424 -5.329 38.942 1.00 0.00 C ATOM 1758 O ARG A 112 2.368 -5.232 39.572 1.00 0.00 O ATOM 1759 CB ARG A 112 4.224 -3.138 37.893 1.00 0.00 C ATOM 1760 CG ARG A 112 5.672 -3.176 38.413 1.00 0.00 C ATOM 1761 CD ARG A 112 6.279 -1.772 38.546 1.00 0.00 C ATOM 1762 NE ARG A 112 6.492 -1.128 37.233 1.00 0.00 N ATOM 1763 CZ ARG A 112 6.903 0.110 37.018 1.00 0.00 C ATOM 1764 NH1 ARG A 112 7.182 0.929 37.995 1.00 0.00 N ATOM 1765 NH2 ARG A 112 7.047 0.555 35.803 1.00 0.00 N ATOM 0 H ARG A 112 1.541 -4.367 37.530 1.00 0.00 H new ATOM 0 HA ARG A 112 4.322 -5.116 37.039 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.195 -2.566 36.966 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.601 -2.609 38.614 1.00 0.00 H new ATOM 0 HG2 ARG A 112 5.695 -3.673 39.383 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.284 -3.772 37.735 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.620 -1.149 39.151 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.230 -1.838 39.075 1.00 0.00 H new ATOM 0 HE ARG A 112 6.302 -1.697 36.408 1.00 0.00 H new ATOM 0 HH11 ARG A 112 7.085 0.621 38.962 1.00 0.00 H new ATOM 0 HH12 ARG A 112 7.497 1.878 37.791 1.00 0.00 H new ATOM 0 HH21 ARG A 112 6.842 -0.053 35.010 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.364 1.511 35.644 1.00 0.00 H new ATOM 1779 N ASP A 113 4.435 -6.109 39.335 1.00 0.00 N ATOM 1780 CA ASP A 113 4.457 -6.918 40.573 1.00 0.00 C ATOM 1781 C ASP A 113 4.460 -6.072 41.866 1.00 0.00 C ATOM 1782 O ASP A 113 3.690 -6.408 42.796 1.00 0.00 O ATOM 1783 CB ASP A 113 5.660 -7.889 40.558 1.00 0.00 C ATOM 1784 CG ASP A 113 5.682 -8.944 39.425 1.00 0.00 C ATOM 1785 OD1 ASP A 113 6.770 -9.522 39.179 1.00 0.00 O ATOM 1786 OD2 ASP A 113 4.632 -9.233 38.797 1.00 0.00 O ATOM 1787 OXT ASP A 113 5.236 -5.092 41.957 1.00 0.00 O ATOM 0 H ASP A 113 5.291 -6.203 38.788 1.00 0.00 H new ATOM 0 HA ASP A 113 3.526 -7.485 40.585 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.574 -7.299 40.492 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.687 -8.413 41.513 1.00 0.00 H new TER 1792 ASP A 113