USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 790 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 ASN : amide:sc= -0.0196 X(o=1.6,f=2.1) USER MOD Set 1.2: A 89 TYR OH : rot -155:sc= 1.65 USER MOD Set 2.1: A 43 ASN : amide:sc= 0.717 K(o=1.5,f=0.23) USER MOD Set 2.2: A 58 TYR OH : rot -6:sc= 0.789 USER MOD Set 3.1: A 41 MET CE :methyl -125:sc= -0.245 (180deg=-0.408) USER MOD Set 3.2: A 57 ASN : amide:sc= 0.817 K(o=0.57,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0961 (180deg=-0.0171) USER MOD Single : A 3 GLN : amide:sc= -0.762 K(o=-0.76,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= 0.0688 (180deg=0.00229) USER MOD Single : A 12 ASN : amide:sc= -0.083 K(o=-0.083,f=-1) USER MOD Single : A 13 GLN : amide:sc= 0.0373 X(o=0.037,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.8!) USER MOD Single : A 21 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.19) USER MOD Single : A 28 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.32) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= 1.23 (180deg=1.18) USER MOD Single : A 52 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.81) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.06) USER MOD Single : A 56 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.1) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 70:sc= 1.04 USER MOD Single : A 65 ASN : amide:sc= 0.00522 K(o=0.0052,f=-2.8!) USER MOD Single : A 68 SER OG : rot 110:sc= 0.00309 USER MOD Single : A 72 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.66) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc=-0.00652 (180deg=-0.117) USER MOD Single : A 76 MET CE :methyl -137:sc= -0.8 (180deg=-1.94) USER MOD Single : A 78 MET CE :methyl 154:sc= -0.309 (180deg=-1.09) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.136 K(o=0.14,f=-5.1!) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= 0.983 (180deg=0.92) USER MOD Single : A 88 MET CE :methyl -125:sc= -2.54 (180deg=-5.45!) USER MOD Single : A 90 ASN : amide:sc= -0.0197 K(o=-0.02,f=-1.2) USER MOD Single : A 91 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 95 HIS : no HD1:sc=-0.00787 X(o=-0.0079,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 97 HIS : no HD1:sc= 0.0234 K(o=0.023,f=-1.3) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.152 13.398 16.033 1.00 62.32 N ATOM 2 CA MET A 1 -6.797 13.475 14.598 1.00 24.40 C ATOM 3 C MET A 1 -6.009 12.241 14.177 1.00 33.42 C ATOM 4 O MET A 1 -5.648 11.412 15.015 1.00 71.44 O ATOM 5 CB MET A 1 -5.990 14.745 14.301 1.00 50.34 C ATOM 6 CG MET A 1 -4.670 14.835 15.048 1.00 61.24 C ATOM 7 SD MET A 1 -3.738 16.316 14.609 1.00 14.04 S ATOM 8 CE MET A 1 -2.302 16.146 15.668 1.00 45.01 C ATOM 0 H1 MET A 1 -6.917 14.298 16.498 1.00 62.32 H new ATOM 0 H2 MET A 1 -8.171 13.215 16.129 1.00 62.32 H new ATOM 0 H3 MET A 1 -6.618 12.627 16.482 1.00 62.32 H new ATOM 0 HA MET A 1 -7.722 13.514 14.023 1.00 24.40 H new ATOM 0 HB2 MET A 1 -5.792 14.794 13.230 1.00 50.34 H new ATOM 0 HB3 MET A 1 -6.597 15.615 14.553 1.00 50.34 H new ATOM 0 HG2 MET A 1 -4.861 14.833 16.121 1.00 61.24 H new ATOM 0 HG3 MET A 1 -4.070 13.952 14.829 1.00 61.24 H new ATOM 0 HE1 MET A 1 -1.631 16.990 15.509 1.00 45.01 H new ATOM 0 HE2 MET A 1 -2.619 16.126 16.711 1.00 45.01 H new ATOM 0 HE3 MET A 1 -1.781 15.219 15.429 1.00 45.01 H new ATOM 20 N ASP A 2 -5.739 12.130 12.881 1.00 3.43 N ATOM 21 CA ASP A 2 -5.045 10.972 12.328 1.00 44.13 C ATOM 22 C ASP A 2 -4.704 11.222 10.866 1.00 32.44 C ATOM 23 O ASP A 2 -5.583 11.186 9.999 1.00 54.15 O ATOM 24 CB ASP A 2 -5.909 9.710 12.463 1.00 62.40 C ATOM 25 CG ASP A 2 -5.254 8.477 11.872 1.00 33.02 C ATOM 26 OD1 ASP A 2 -4.293 7.953 12.475 1.00 33.12 O ATOM 27 OD2 ASP A 2 -5.700 8.028 10.802 1.00 62.32 O ATOM 0 H ASP A 2 -5.993 12.834 12.188 1.00 3.43 H new ATOM 0 HA ASP A 2 -4.122 10.818 12.887 1.00 44.13 H new ATOM 0 HB2 ASP A 2 -6.120 9.532 13.517 1.00 62.40 H new ATOM 0 HB3 ASP A 2 -6.867 9.878 11.970 1.00 62.40 H new ATOM 32 N GLN A 3 -3.429 11.491 10.605 1.00 13.22 N ATOM 33 CA GLN A 3 -2.954 11.806 9.260 1.00 11.41 C ATOM 34 C GLN A 3 -3.316 10.692 8.291 1.00 11.04 C ATOM 35 O GLN A 3 -3.689 10.941 7.146 1.00 33.31 O ATOM 36 CB GLN A 3 -1.436 12.000 9.266 1.00 61.50 C ATOM 37 CG GLN A 3 -0.970 13.136 10.159 1.00 32.34 C ATOM 38 CD GLN A 3 0.542 13.233 10.254 1.00 1.54 C ATOM 39 OE1 GLN A 3 1.084 13.665 11.274 1.00 64.40 O ATOM 40 NE2 GLN A 3 1.236 12.831 9.202 1.00 43.10 N ATOM 0 H GLN A 3 -2.698 11.497 11.316 1.00 13.22 H new ATOM 0 HA GLN A 3 -3.436 12.729 8.937 1.00 11.41 H new ATOM 0 HB2 GLN A 3 -0.962 11.075 9.593 1.00 61.50 H new ATOM 0 HB3 GLN A 3 -1.099 12.189 8.247 1.00 61.50 H new ATOM 0 HG2 GLN A 3 -1.366 14.077 9.777 1.00 32.34 H new ATOM 0 HG3 GLN A 3 -1.383 12.999 11.158 1.00 32.34 H new ATOM 0 HE21 GLN A 3 0.752 12.479 8.376 1.00 43.10 H new ATOM 0 HE22 GLN A 3 2.255 12.873 9.217 1.00 43.10 H new ATOM 49 N LEU A 4 -3.212 9.467 8.779 1.00 64.03 N ATOM 50 CA LEU A 4 -3.509 8.285 7.988 1.00 52.51 C ATOM 51 C LEU A 4 -4.936 8.315 7.442 1.00 43.11 C ATOM 52 O LEU A 4 -5.163 7.974 6.282 1.00 75.34 O ATOM 53 CB LEU A 4 -3.284 7.034 8.838 1.00 44.32 C ATOM 54 CG LEU A 4 -1.845 6.857 9.328 1.00 13.31 C ATOM 55 CD1 LEU A 4 -1.766 5.797 10.413 1.00 13.12 C ATOM 56 CD2 LEU A 4 -0.937 6.495 8.163 1.00 70.20 C ATOM 0 H LEU A 4 -2.919 9.264 9.735 1.00 64.03 H new ATOM 0 HA LEU A 4 -2.837 8.268 7.130 1.00 52.51 H new ATOM 0 HB2 LEU A 4 -3.948 7.072 9.702 1.00 44.32 H new ATOM 0 HB3 LEU A 4 -3.568 6.157 8.256 1.00 44.32 H new ATOM 0 HG LEU A 4 -1.510 7.802 9.756 1.00 13.31 H new ATOM 0 HD11 LEU A 4 -0.733 5.691 10.744 1.00 13.12 H new ATOM 0 HD12 LEU A 4 -2.388 6.093 11.257 1.00 13.12 H new ATOM 0 HD13 LEU A 4 -2.120 4.845 10.018 1.00 13.12 H new ATOM 0 HD21 LEU A 4 0.085 6.371 8.523 1.00 70.20 H new ATOM 0 HD22 LEU A 4 -1.278 5.563 7.712 1.00 70.20 H new ATOM 0 HD23 LEU A 4 -0.966 7.291 7.418 1.00 70.20 H new ATOM 68 N LYS A 5 -5.892 8.744 8.263 1.00 62.25 N ATOM 69 CA LYS A 5 -7.288 8.801 7.842 1.00 0.52 C ATOM 70 C LYS A 5 -7.468 9.862 6.764 1.00 21.44 C ATOM 71 O LYS A 5 -8.225 9.673 5.814 1.00 64.30 O ATOM 72 CB LYS A 5 -8.214 9.096 9.025 1.00 70.22 C ATOM 73 CG LYS A 5 -9.688 8.910 8.694 1.00 0.03 C ATOM 74 CD LYS A 5 -10.587 9.311 9.853 1.00 34.40 C ATOM 75 CE LYS A 5 -10.561 10.814 10.088 1.00 72.34 C ATOM 76 NZ LYS A 5 -11.447 11.221 11.210 1.00 71.01 N ATOM 0 H LYS A 5 -5.726 9.056 9.220 1.00 62.25 H new ATOM 0 HA LYS A 5 -7.556 7.825 7.436 1.00 0.52 H new ATOM 0 HB2 LYS A 5 -7.950 8.443 9.857 1.00 70.22 H new ATOM 0 HB3 LYS A 5 -8.050 10.120 9.360 1.00 70.22 H new ATOM 0 HG2 LYS A 5 -9.940 9.505 7.817 1.00 0.03 H new ATOM 0 HG3 LYS A 5 -9.873 7.867 8.436 1.00 0.03 H new ATOM 0 HD2 LYS A 5 -11.609 8.992 9.649 1.00 34.40 H new ATOM 0 HD3 LYS A 5 -10.267 8.795 10.758 1.00 34.40 H new ATOM 0 HE2 LYS A 5 -9.540 11.129 10.301 1.00 72.34 H new ATOM 0 HE3 LYS A 5 -10.870 11.328 9.178 1.00 72.34 H new ATOM 0 HZ1 LYS A 5 -11.398 12.252 11.334 1.00 71.01 H new ATOM 0 HZ2 LYS A 5 -12.427 10.944 10.997 1.00 71.01 H new ATOM 0 HZ3 LYS A 5 -11.137 10.752 12.085 1.00 71.01 H new ATOM 90 N THR A 6 -6.756 10.970 6.916 1.00 1.12 N ATOM 91 CA THR A 6 -6.754 12.029 5.918 1.00 63.45 C ATOM 92 C THR A 6 -6.276 11.478 4.574 1.00 11.42 C ATOM 93 O THR A 6 -6.858 11.754 3.523 1.00 73.42 O ATOM 94 CB THR A 6 -5.836 13.184 6.362 1.00 52.32 C ATOM 95 OG1 THR A 6 -6.268 13.682 7.637 1.00 51.11 O ATOM 96 CG2 THR A 6 -5.829 14.314 5.343 1.00 35.22 C ATOM 0 H THR A 6 -6.168 11.159 7.728 1.00 1.12 H new ATOM 0 HA THR A 6 -7.770 12.408 5.811 1.00 63.45 H new ATOM 0 HB THR A 6 -4.820 12.797 6.441 1.00 52.32 H new ATOM 0 HG1 THR A 6 -5.681 14.415 7.918 1.00 51.11 H new ATOM 0 HG21 THR A 6 -5.171 15.112 5.689 1.00 35.22 H new ATOM 0 HG22 THR A 6 -5.471 13.938 4.385 1.00 35.22 H new ATOM 0 HG23 THR A 6 -6.840 14.703 5.225 1.00 35.22 H new ATOM 104 N ILE A 7 -5.223 10.675 4.635 1.00 13.01 N ATOM 105 CA ILE A 7 -4.664 10.028 3.461 1.00 30.10 C ATOM 106 C ILE A 7 -5.664 9.045 2.851 1.00 71.54 C ATOM 107 O ILE A 7 -5.804 8.961 1.630 1.00 71.14 O ATOM 108 CB ILE A 7 -3.363 9.295 3.833 1.00 2.13 C ATOM 109 CG1 ILE A 7 -2.347 10.297 4.385 1.00 71.34 C ATOM 110 CG2 ILE A 7 -2.799 8.563 2.628 1.00 62.51 C ATOM 111 CD1 ILE A 7 -1.175 9.658 5.094 1.00 24.23 C ATOM 0 H ILE A 7 -4.733 10.455 5.502 1.00 13.01 H new ATOM 0 HA ILE A 7 -4.444 10.796 2.719 1.00 30.10 H new ATOM 0 HB ILE A 7 -3.580 8.554 4.603 1.00 2.13 H new ATOM 0 HG12 ILE A 7 -1.972 10.908 3.564 1.00 71.34 H new ATOM 0 HG13 ILE A 7 -2.854 10.969 5.077 1.00 71.34 H new ATOM 0 HG21 ILE A 7 -1.879 8.051 2.911 1.00 62.51 H new ATOM 0 HG22 ILE A 7 -3.526 7.833 2.273 1.00 62.51 H new ATOM 0 HG23 ILE A 7 -2.586 9.279 1.834 1.00 62.51 H new ATOM 0 HD11 ILE A 7 -0.501 10.435 5.456 1.00 24.23 H new ATOM 0 HD12 ILE A 7 -1.537 9.070 5.937 1.00 24.23 H new ATOM 0 HD13 ILE A 7 -0.641 9.008 4.401 1.00 24.23 H new ATOM 123 N LYS A 8 -6.369 8.319 3.711 1.00 70.31 N ATOM 124 CA LYS A 8 -7.387 7.370 3.271 1.00 3.23 C ATOM 125 C LYS A 8 -8.471 8.076 2.458 1.00 40.15 C ATOM 126 O LYS A 8 -8.919 7.569 1.429 1.00 41.42 O ATOM 127 CB LYS A 8 -8.002 6.661 4.482 1.00 45.32 C ATOM 128 CG LYS A 8 -7.003 5.796 5.233 1.00 3.40 C ATOM 129 CD LYS A 8 -7.569 5.242 6.531 1.00 50.10 C ATOM 130 CE LYS A 8 -6.540 4.370 7.237 1.00 65.31 C ATOM 131 NZ LYS A 8 -7.045 3.825 8.522 1.00 21.03 N ATOM 0 H LYS A 8 -6.254 8.370 4.723 1.00 70.31 H new ATOM 0 HA LYS A 8 -6.914 6.626 2.630 1.00 3.23 H new ATOM 0 HB2 LYS A 8 -8.413 7.407 5.163 1.00 45.32 H new ATOM 0 HB3 LYS A 8 -8.834 6.040 4.149 1.00 45.32 H new ATOM 0 HG2 LYS A 8 -6.692 4.969 4.595 1.00 3.40 H new ATOM 0 HG3 LYS A 8 -6.111 6.383 5.451 1.00 3.40 H new ATOM 0 HD2 LYS A 8 -7.867 6.063 7.184 1.00 50.10 H new ATOM 0 HD3 LYS A 8 -8.466 4.659 6.323 1.00 50.10 H new ATOM 0 HE2 LYS A 8 -6.256 3.546 6.583 1.00 65.31 H new ATOM 0 HE3 LYS A 8 -5.639 4.954 7.423 1.00 65.31 H new ATOM 0 HZ1 LYS A 8 -6.467 3.007 8.803 1.00 21.03 H new ATOM 0 HZ2 LYS A 8 -6.987 4.559 9.257 1.00 21.03 H new ATOM 0 HZ3 LYS A 8 -8.035 3.527 8.408 1.00 21.03 H new ATOM 145 N GLU A 9 -8.870 9.256 2.917 1.00 11.32 N ATOM 146 CA GLU A 9 -9.855 10.065 2.208 1.00 74.42 C ATOM 147 C GLU A 9 -9.333 10.493 0.842 1.00 2.24 C ATOM 148 O GLU A 9 -10.092 10.582 -0.125 1.00 11.43 O ATOM 149 CB GLU A 9 -10.224 11.297 3.033 1.00 21.33 C ATOM 150 CG GLU A 9 -11.025 10.969 4.279 1.00 71.53 C ATOM 151 CD GLU A 9 -12.345 10.304 3.952 1.00 33.30 C ATOM 152 OE1 GLU A 9 -13.253 10.995 3.445 1.00 5.00 O ATOM 153 OE2 GLU A 9 -12.490 9.090 4.207 1.00 43.35 O ATOM 0 H GLU A 9 -8.525 9.676 3.780 1.00 11.32 H new ATOM 0 HA GLU A 9 -10.745 9.454 2.059 1.00 74.42 H new ATOM 0 HB2 GLU A 9 -9.311 11.818 3.323 1.00 21.33 H new ATOM 0 HB3 GLU A 9 -10.798 11.983 2.411 1.00 21.33 H new ATOM 0 HG2 GLU A 9 -10.439 10.313 4.923 1.00 71.53 H new ATOM 0 HG3 GLU A 9 -11.211 11.884 4.841 1.00 71.53 H new ATOM 160 N LEU A 10 -8.035 10.754 0.763 1.00 52.12 N ATOM 161 CA LEU A 10 -7.408 11.127 -0.499 1.00 51.14 C ATOM 162 C LEU A 10 -7.471 9.966 -1.483 1.00 54.44 C ATOM 163 O LEU A 10 -7.803 10.146 -2.651 1.00 54.15 O ATOM 164 CB LEU A 10 -5.957 11.555 -0.271 1.00 72.43 C ATOM 165 CG LEU A 10 -5.778 12.781 0.625 1.00 34.31 C ATOM 166 CD1 LEU A 10 -4.306 13.019 0.915 1.00 54.13 C ATOM 167 CD2 LEU A 10 -6.399 14.013 -0.020 1.00 53.31 C ATOM 0 H LEU A 10 -7.396 10.715 1.557 1.00 52.12 H new ATOM 0 HA LEU A 10 -7.953 11.971 -0.921 1.00 51.14 H new ATOM 0 HB2 LEU A 10 -5.412 10.720 0.169 1.00 72.43 H new ATOM 0 HB3 LEU A 10 -5.498 11.760 -1.238 1.00 72.43 H new ATOM 0 HG LEU A 10 -6.290 12.592 1.569 1.00 34.31 H new ATOM 0 HD11 LEU A 10 -4.198 13.895 1.554 1.00 54.13 H new ATOM 0 HD12 LEU A 10 -3.889 12.148 1.421 1.00 54.13 H new ATOM 0 HD13 LEU A 10 -3.773 13.185 -0.021 1.00 54.13 H new ATOM 0 HD21 LEU A 10 -6.261 14.874 0.633 1.00 53.31 H new ATOM 0 HD22 LEU A 10 -5.917 14.204 -0.979 1.00 53.31 H new ATOM 0 HD23 LEU A 10 -7.464 13.844 -0.177 1.00 53.31 H new ATOM 179 N ILE A 11 -7.180 8.770 -0.990 1.00 22.52 N ATOM 180 CA ILE A 11 -7.248 7.566 -1.802 1.00 10.25 C ATOM 181 C ILE A 11 -8.686 7.299 -2.237 1.00 50.43 C ATOM 182 O ILE A 11 -8.932 6.843 -3.353 1.00 10.34 O ATOM 183 CB ILE A 11 -6.707 6.345 -1.028 1.00 51.33 C ATOM 184 CG1 ILE A 11 -5.278 6.615 -0.551 1.00 42.14 C ATOM 185 CG2 ILE A 11 -6.749 5.093 -1.894 1.00 50.30 C ATOM 186 CD1 ILE A 11 -4.710 5.528 0.337 1.00 60.22 C ATOM 0 H ILE A 11 -6.893 8.609 -0.025 1.00 22.52 H new ATOM 0 HA ILE A 11 -6.627 7.723 -2.684 1.00 10.25 H new ATOM 0 HB ILE A 11 -7.344 6.178 -0.159 1.00 51.33 H new ATOM 0 HG12 ILE A 11 -4.632 6.734 -1.421 1.00 42.14 H new ATOM 0 HG13 ILE A 11 -5.259 7.560 -0.008 1.00 42.14 H new ATOM 0 HG21 ILE A 11 -6.363 4.246 -1.327 1.00 50.30 H new ATOM 0 HG22 ILE A 11 -7.778 4.891 -2.193 1.00 50.30 H new ATOM 0 HG23 ILE A 11 -6.136 5.245 -2.783 1.00 50.30 H new ATOM 0 HD11 ILE A 11 -3.695 5.793 0.633 1.00 60.22 H new ATOM 0 HD12 ILE A 11 -5.331 5.423 1.226 1.00 60.22 H new ATOM 0 HD13 ILE A 11 -4.694 4.584 -0.208 1.00 60.22 H new ATOM 198 N ASN A 12 -9.633 7.597 -1.353 1.00 44.45 N ATOM 199 CA ASN A 12 -11.052 7.403 -1.649 1.00 70.24 C ATOM 200 C ASN A 12 -11.502 8.290 -2.804 1.00 32.12 C ATOM 201 O ASN A 12 -12.229 7.843 -3.689 1.00 13.54 O ATOM 202 CB ASN A 12 -11.923 7.688 -0.417 1.00 10.12 C ATOM 203 CG ASN A 12 -11.781 6.638 0.669 1.00 11.30 C ATOM 204 OD1 ASN A 12 -11.489 5.475 0.392 1.00 1.31 O ATOM 205 ND2 ASN A 12 -11.989 7.039 1.914 1.00 21.13 N ATOM 0 H ASN A 12 -9.445 7.974 -0.424 1.00 44.45 H new ATOM 0 HA ASN A 12 -11.177 6.359 -1.936 1.00 70.24 H new ATOM 0 HB2 ASN A 12 -11.656 8.663 -0.009 1.00 10.12 H new ATOM 0 HB3 ASN A 12 -12.967 7.746 -0.724 1.00 10.12 H new ATOM 0 HD21 ASN A 12 -11.909 6.375 2.684 1.00 21.13 H new ATOM 0 HD22 ASN A 12 -12.229 8.012 2.103 1.00 21.13 H new ATOM 212 N GLN A 13 -11.053 9.540 -2.805 1.00 32.21 N ATOM 213 CA GLN A 13 -11.501 10.501 -3.805 1.00 61.31 C ATOM 214 C GLN A 13 -10.690 10.396 -5.092 1.00 41.34 C ATOM 215 O GLN A 13 -11.069 10.950 -6.123 1.00 70.31 O ATOM 216 CB GLN A 13 -11.449 11.922 -3.243 1.00 74.13 C ATOM 217 CG GLN A 13 -10.053 12.434 -2.942 1.00 61.52 C ATOM 218 CD GLN A 13 -10.080 13.672 -2.071 1.00 23.23 C ATOM 219 OE1 GLN A 13 -10.159 14.797 -2.566 1.00 33.44 O ATOM 220 NE2 GLN A 13 -10.028 13.473 -0.763 1.00 23.02 N ATOM 0 H GLN A 13 -10.384 9.910 -2.130 1.00 32.21 H new ATOM 0 HA GLN A 13 -12.535 10.263 -4.053 1.00 61.31 H new ATOM 0 HB2 GLN A 13 -11.923 12.597 -3.955 1.00 74.13 H new ATOM 0 HB3 GLN A 13 -12.040 11.958 -2.328 1.00 74.13 H new ATOM 0 HG2 GLN A 13 -9.479 11.652 -2.444 1.00 61.52 H new ATOM 0 HG3 GLN A 13 -9.540 12.659 -3.877 1.00 61.52 H new ATOM 0 HE21 GLN A 13 -9.963 12.524 -0.394 1.00 23.02 H new ATOM 0 HE22 GLN A 13 -10.053 14.268 -0.125 1.00 23.02 H new ATOM 229 N GLY A 14 -9.575 9.685 -5.030 1.00 72.42 N ATOM 230 CA GLY A 14 -8.799 9.437 -6.226 1.00 53.30 C ATOM 231 C GLY A 14 -7.539 10.268 -6.298 1.00 25.12 C ATOM 232 O GLY A 14 -6.819 10.230 -7.299 1.00 3.23 O ATOM 0 H GLY A 14 -9.195 9.277 -4.176 1.00 72.42 H new ATOM 0 HA2 GLY A 14 -8.533 8.381 -6.267 1.00 53.30 H new ATOM 0 HA3 GLY A 14 -9.415 9.645 -7.101 1.00 53.30 H new ATOM 236 N ASP A 15 -7.264 11.029 -5.254 1.00 23.52 N ATOM 237 CA ASP A 15 -6.032 11.796 -5.197 1.00 71.13 C ATOM 238 C ASP A 15 -4.910 10.939 -4.639 1.00 61.13 C ATOM 239 O ASP A 15 -4.553 11.023 -3.461 1.00 21.21 O ATOM 240 CB ASP A 15 -6.203 13.079 -4.383 1.00 53.41 C ATOM 241 CG ASP A 15 -6.955 14.135 -5.160 1.00 1.14 C ATOM 242 OD1 ASP A 15 -6.368 14.714 -6.097 1.00 11.10 O ATOM 243 OD2 ASP A 15 -8.139 14.376 -4.856 1.00 63.23 O ATOM 0 H ASP A 15 -7.871 11.132 -4.441 1.00 23.52 H new ATOM 0 HA ASP A 15 -5.771 12.095 -6.212 1.00 71.13 H new ATOM 0 HB2 ASP A 15 -6.738 12.856 -3.460 1.00 53.41 H new ATOM 0 HB3 ASP A 15 -5.223 13.464 -4.099 1.00 53.41 H new ATOM 248 N ILE A 16 -4.375 10.097 -5.508 1.00 13.31 N ATOM 249 CA ILE A 16 -3.376 9.118 -5.125 1.00 25.14 C ATOM 250 C ILE A 16 -2.047 9.779 -4.776 1.00 24.41 C ATOM 251 O ILE A 16 -1.422 9.426 -3.783 1.00 23.43 O ATOM 252 CB ILE A 16 -3.162 8.082 -6.250 1.00 24.54 C ATOM 253 CG1 ILE A 16 -4.480 7.371 -6.584 1.00 34.54 C ATOM 254 CG2 ILE A 16 -2.095 7.070 -5.856 1.00 65.05 C ATOM 255 CD1 ILE A 16 -5.106 6.656 -5.405 1.00 42.32 C ATOM 0 H ILE A 16 -4.622 10.074 -6.497 1.00 13.31 H new ATOM 0 HA ILE A 16 -3.750 8.609 -4.237 1.00 25.14 H new ATOM 0 HB ILE A 16 -2.819 8.610 -7.140 1.00 24.54 H new ATOM 0 HG12 ILE A 16 -5.189 8.103 -6.971 1.00 34.54 H new ATOM 0 HG13 ILE A 16 -4.301 6.649 -7.381 1.00 34.54 H new ATOM 0 HG21 ILE A 16 -1.961 6.350 -6.663 1.00 65.05 H new ATOM 0 HG22 ILE A 16 -1.154 7.587 -5.671 1.00 65.05 H new ATOM 0 HG23 ILE A 16 -2.406 6.547 -4.951 1.00 65.05 H new ATOM 0 HD11 ILE A 16 -6.034 6.178 -5.720 1.00 42.32 H new ATOM 0 HD12 ILE A 16 -4.417 5.899 -5.031 1.00 42.32 H new ATOM 0 HD13 ILE A 16 -5.319 7.375 -4.614 1.00 42.32 H new ATOM 267 N GLU A 17 -1.629 10.755 -5.573 1.00 62.01 N ATOM 268 CA GLU A 17 -0.330 11.386 -5.369 1.00 31.12 C ATOM 269 C GLU A 17 -0.303 12.177 -4.071 1.00 42.35 C ATOM 270 O GLU A 17 0.710 12.191 -3.369 1.00 31.53 O ATOM 271 CB GLU A 17 0.039 12.288 -6.542 1.00 32.10 C ATOM 272 CG GLU A 17 0.266 11.530 -7.839 1.00 2.52 C ATOM 273 CD GLU A 17 1.086 12.324 -8.830 1.00 3.13 C ATOM 274 OE1 GLU A 17 0.539 13.259 -9.449 1.00 61.41 O ATOM 275 OE2 GLU A 17 2.285 12.017 -8.993 1.00 52.44 O ATOM 0 H GLU A 17 -2.164 11.124 -6.359 1.00 62.01 H new ATOM 0 HA GLU A 17 0.411 10.589 -5.304 1.00 31.12 H new ATOM 0 HB2 GLU A 17 -0.755 13.020 -6.692 1.00 32.10 H new ATOM 0 HB3 GLU A 17 0.942 12.845 -6.292 1.00 32.10 H new ATOM 0 HG2 GLU A 17 0.772 10.589 -7.624 1.00 2.52 H new ATOM 0 HG3 GLU A 17 -0.697 11.280 -8.285 1.00 2.52 H new ATOM 282 N ASN A 18 -1.413 12.832 -3.750 1.00 41.42 N ATOM 283 CA ASN A 18 -1.532 13.536 -2.477 1.00 4.53 C ATOM 284 C ASN A 18 -1.378 12.547 -1.331 1.00 50.14 C ATOM 285 O ASN A 18 -0.666 12.802 -0.356 1.00 65.20 O ATOM 286 CB ASN A 18 -2.879 14.260 -2.363 1.00 22.45 C ATOM 287 CG ASN A 18 -2.996 15.454 -3.294 1.00 73.23 C ATOM 288 OD1 ASN A 18 -2.408 15.480 -4.372 1.00 71.00 O ATOM 289 ND2 ASN A 18 -3.761 16.456 -2.882 1.00 70.31 N ATOM 0 H ASN A 18 -2.238 12.891 -4.348 1.00 41.42 H new ATOM 0 HA ASN A 18 -0.742 14.286 -2.426 1.00 4.53 H new ATOM 0 HB2 ASN A 18 -3.682 13.556 -2.582 1.00 22.45 H new ATOM 0 HB3 ASN A 18 -3.019 14.594 -1.335 1.00 22.45 H new ATOM 0 HD21 ASN A 18 -3.876 17.284 -3.467 1.00 70.31 H new ATOM 0 HD22 ASN A 18 -4.234 16.399 -1.980 1.00 70.31 H new ATOM 296 N ALA A 19 -2.037 11.406 -1.472 1.00 41.33 N ATOM 297 CA ALA A 19 -1.945 10.340 -0.490 1.00 13.11 C ATOM 298 C ALA A 19 -0.514 9.827 -0.384 1.00 65.52 C ATOM 299 O ALA A 19 0.037 9.738 0.709 1.00 73.42 O ATOM 300 CB ALA A 19 -2.889 9.208 -0.861 1.00 45.32 C ATOM 0 H ALA A 19 -2.645 11.196 -2.264 1.00 41.33 H new ATOM 0 HA ALA A 19 -2.236 10.737 0.482 1.00 13.11 H new ATOM 0 HB1 ALA A 19 -2.813 8.413 -0.119 1.00 45.32 H new ATOM 0 HB2 ALA A 19 -3.912 9.582 -0.889 1.00 45.32 H new ATOM 0 HB3 ALA A 19 -2.619 8.816 -1.842 1.00 45.32 H new ATOM 306 N LEU A 20 0.086 9.516 -1.528 1.00 75.42 N ATOM 307 CA LEU A 20 1.430 8.947 -1.574 1.00 60.52 C ATOM 308 C LEU A 20 2.448 9.829 -0.862 1.00 12.35 C ATOM 309 O LEU A 20 3.181 9.356 0.004 1.00 32.35 O ATOM 310 CB LEU A 20 1.872 8.727 -3.022 1.00 31.04 C ATOM 311 CG LEU A 20 1.059 7.696 -3.806 1.00 5.24 C ATOM 312 CD1 LEU A 20 1.604 7.550 -5.219 1.00 23.31 C ATOM 313 CD2 LEU A 20 1.065 6.355 -3.088 1.00 23.22 C ATOM 0 H LEU A 20 -0.341 9.650 -2.444 1.00 75.42 H new ATOM 0 HA LEU A 20 1.387 7.990 -1.054 1.00 60.52 H new ATOM 0 HB2 LEU A 20 1.822 9.680 -3.548 1.00 31.04 H new ATOM 0 HB3 LEU A 20 2.917 8.417 -3.022 1.00 31.04 H new ATOM 0 HG LEU A 20 0.029 8.046 -3.871 1.00 5.24 H new ATOM 0 HD11 LEU A 20 1.013 6.812 -5.762 1.00 23.31 H new ATOM 0 HD12 LEU A 20 1.547 8.510 -5.732 1.00 23.31 H new ATOM 0 HD13 LEU A 20 2.643 7.223 -5.176 1.00 23.31 H new ATOM 0 HD21 LEU A 20 0.482 5.633 -3.660 1.00 23.22 H new ATOM 0 HD22 LEU A 20 2.090 5.998 -2.992 1.00 23.22 H new ATOM 0 HD23 LEU A 20 0.627 6.471 -2.097 1.00 23.22 H new ATOM 325 N GLN A 21 2.482 11.111 -1.214 1.00 12.44 N ATOM 326 CA GLN A 21 3.461 12.027 -0.638 1.00 3.11 C ATOM 327 C GLN A 21 3.264 12.162 0.871 1.00 64.42 C ATOM 328 O GLN A 21 4.232 12.296 1.622 1.00 21.10 O ATOM 329 CB GLN A 21 3.393 13.396 -1.323 1.00 55.32 C ATOM 330 CG GLN A 21 2.049 14.092 -1.187 1.00 31.02 C ATOM 331 CD GLN A 21 1.902 15.267 -2.130 1.00 2.14 C ATOM 332 OE1 GLN A 21 2.237 16.400 -1.793 1.00 45.51 O ATOM 333 NE2 GLN A 21 1.401 14.998 -3.323 1.00 23.31 N ATOM 0 H GLN A 21 1.848 11.537 -1.890 1.00 12.44 H new ATOM 0 HA GLN A 21 4.454 11.611 -0.810 1.00 3.11 H new ATOM 0 HB2 GLN A 21 4.167 14.039 -0.904 1.00 55.32 H new ATOM 0 HB3 GLN A 21 3.620 13.272 -2.382 1.00 55.32 H new ATOM 0 HG2 GLN A 21 1.252 13.374 -1.380 1.00 31.02 H new ATOM 0 HG3 GLN A 21 1.925 14.437 -0.161 1.00 31.02 H new ATOM 0 HE21 GLN A 21 1.136 14.042 -3.561 1.00 23.31 H new ATOM 0 HE22 GLN A 21 1.279 15.746 -4.006 1.00 23.31 H new ATOM 342 N ALA A 22 2.012 12.112 1.314 1.00 71.03 N ATOM 343 CA ALA A 22 1.710 12.154 2.738 1.00 4.23 C ATOM 344 C ALA A 22 2.107 10.844 3.416 1.00 42.20 C ATOM 345 O ALA A 22 2.554 10.833 4.565 1.00 33.05 O ATOM 346 CB ALA A 22 0.233 12.444 2.952 1.00 54.22 C ATOM 0 H ALA A 22 1.194 12.043 0.709 1.00 71.03 H new ATOM 0 HA ALA A 22 2.292 12.957 3.192 1.00 4.23 H new ATOM 0 HB1 ALA A 22 0.019 12.473 4.020 1.00 54.22 H new ATOM 0 HB2 ALA A 22 -0.017 13.406 2.506 1.00 54.22 H new ATOM 0 HB3 ALA A 22 -0.363 11.661 2.484 1.00 54.22 H new ATOM 352 N LEU A 23 1.947 9.745 2.694 1.00 54.51 N ATOM 353 CA LEU A 23 2.300 8.425 3.199 1.00 34.13 C ATOM 354 C LEU A 23 3.808 8.276 3.350 1.00 30.54 C ATOM 355 O LEU A 23 4.291 7.851 4.398 1.00 3.21 O ATOM 356 CB LEU A 23 1.751 7.343 2.270 1.00 73.33 C ATOM 357 CG LEU A 23 0.240 7.140 2.356 1.00 11.52 C ATOM 358 CD1 LEU A 23 -0.278 6.373 1.150 1.00 13.55 C ATOM 359 CD2 LEU A 23 -0.120 6.412 3.641 1.00 11.54 C ATOM 0 H LEU A 23 1.571 9.742 1.746 1.00 54.51 H new ATOM 0 HA LEU A 23 1.852 8.309 4.186 1.00 34.13 H new ATOM 0 HB2 LEU A 23 2.013 7.597 1.243 1.00 73.33 H new ATOM 0 HB3 LEU A 23 2.245 6.399 2.501 1.00 73.33 H new ATOM 0 HG LEU A 23 -0.235 8.121 2.361 1.00 11.52 H new ATOM 0 HD11 LEU A 23 -1.357 6.243 1.237 1.00 13.55 H new ATOM 0 HD12 LEU A 23 -0.052 6.930 0.240 1.00 13.55 H new ATOM 0 HD13 LEU A 23 0.203 5.396 1.106 1.00 13.55 H new ATOM 0 HD21 LEU A 23 -1.200 6.273 3.690 1.00 11.54 H new ATOM 0 HD22 LEU A 23 0.372 5.439 3.658 1.00 11.54 H new ATOM 0 HD23 LEU A 23 0.210 7.000 4.497 1.00 11.54 H new ATOM 371 N GLU A 24 4.544 8.646 2.307 1.00 73.11 N ATOM 372 CA GLU A 24 6.004 8.589 2.339 1.00 72.55 C ATOM 373 C GLU A 24 6.544 9.445 3.476 1.00 64.02 C ATOM 374 O GLU A 24 7.534 9.098 4.119 1.00 23.13 O ATOM 375 CB GLU A 24 6.588 9.072 1.013 1.00 4.34 C ATOM 376 CG GLU A 24 6.127 8.267 -0.187 1.00 34.02 C ATOM 377 CD GLU A 24 6.671 8.814 -1.486 1.00 42.42 C ATOM 378 OE1 GLU A 24 6.180 9.859 -1.951 1.00 24.23 O ATOM 379 OE2 GLU A 24 7.596 8.195 -2.054 1.00 11.44 O ATOM 0 H GLU A 24 4.155 8.989 1.429 1.00 73.11 H new ATOM 0 HA GLU A 24 6.300 7.552 2.501 1.00 72.55 H new ATOM 0 HB2 GLU A 24 6.314 10.117 0.865 1.00 4.34 H new ATOM 0 HB3 GLU A 24 7.676 9.032 1.070 1.00 4.34 H new ATOM 0 HG2 GLU A 24 6.444 7.231 -0.070 1.00 34.02 H new ATOM 0 HG3 GLU A 24 5.038 8.265 -0.224 1.00 34.02 H new ATOM 386 N GLU A 25 5.874 10.562 3.712 1.00 3.22 N ATOM 387 CA GLU A 25 6.230 11.459 4.797 1.00 24.22 C ATOM 388 C GLU A 25 6.025 10.768 6.143 1.00 35.02 C ATOM 389 O GLU A 25 6.885 10.828 7.024 1.00 65.22 O ATOM 390 CB GLU A 25 5.378 12.723 4.710 1.00 61.44 C ATOM 391 CG GLU A 25 5.749 13.781 5.724 1.00 31.34 C ATOM 392 CD GLU A 25 4.955 15.052 5.533 1.00 73.42 C ATOM 393 OE1 GLU A 25 5.286 15.825 4.606 1.00 64.21 O ATOM 394 OE2 GLU A 25 3.992 15.279 6.294 1.00 75.31 O ATOM 0 H GLU A 25 5.073 10.870 3.160 1.00 3.22 H new ATOM 0 HA GLU A 25 7.282 11.731 4.710 1.00 24.22 H new ATOM 0 HB2 GLU A 25 5.471 13.144 3.709 1.00 61.44 H new ATOM 0 HB3 GLU A 25 4.331 12.454 4.847 1.00 61.44 H new ATOM 0 HG2 GLU A 25 5.579 13.395 6.729 1.00 31.34 H new ATOM 0 HG3 GLU A 25 6.813 14.003 5.643 1.00 31.34 H new ATOM 401 N PHE A 26 4.892 10.087 6.280 1.00 2.35 N ATOM 402 CA PHE A 26 4.562 9.387 7.514 1.00 34.43 C ATOM 403 C PHE A 26 5.559 8.262 7.780 1.00 13.13 C ATOM 404 O PHE A 26 5.907 7.995 8.928 1.00 4.02 O ATOM 405 CB PHE A 26 3.135 8.833 7.461 1.00 10.20 C ATOM 406 CG PHE A 26 2.694 8.187 8.744 1.00 43.31 C ATOM 407 CD1 PHE A 26 2.256 8.960 9.808 1.00 23.45 C ATOM 408 CD2 PHE A 26 2.722 6.810 8.889 1.00 4.13 C ATOM 409 CE1 PHE A 26 1.852 8.371 10.990 1.00 62.45 C ATOM 410 CE2 PHE A 26 2.321 6.216 10.069 1.00 44.43 C ATOM 411 CZ PHE A 26 1.885 6.997 11.121 1.00 44.23 C ATOM 0 H PHE A 26 4.186 10.006 5.549 1.00 2.35 H new ATOM 0 HA PHE A 26 4.622 10.103 8.334 1.00 34.43 H new ATOM 0 HB2 PHE A 26 2.448 9.643 7.217 1.00 10.20 H new ATOM 0 HB3 PHE A 26 3.067 8.103 6.654 1.00 10.20 H new ATOM 0 HD1 PHE A 26 2.230 10.035 9.712 1.00 23.45 H new ATOM 0 HD2 PHE A 26 3.061 6.194 8.070 1.00 4.13 H new ATOM 0 HE1 PHE A 26 1.511 8.984 11.811 1.00 62.45 H new ATOM 0 HE2 PHE A 26 2.348 5.141 10.169 1.00 44.43 H new ATOM 0 HZ PHE A 26 1.570 6.534 12.045 1.00 44.23 H new ATOM 421 N LEU A 27 6.027 7.621 6.713 1.00 44.14 N ATOM 422 CA LEU A 27 7.022 6.556 6.830 1.00 71.43 C ATOM 423 C LEU A 27 8.278 7.068 7.527 1.00 1.02 C ATOM 424 O LEU A 27 8.921 6.350 8.296 1.00 34.02 O ATOM 425 CB LEU A 27 7.411 6.022 5.449 1.00 42.42 C ATOM 426 CG LEU A 27 6.262 5.499 4.589 1.00 22.24 C ATOM 427 CD1 LEU A 27 6.782 5.054 3.233 1.00 40.35 C ATOM 428 CD2 LEU A 27 5.545 4.354 5.282 1.00 23.31 C ATOM 0 H LEU A 27 5.734 7.820 5.756 1.00 44.14 H new ATOM 0 HA LEU A 27 6.577 5.754 7.419 1.00 71.43 H new ATOM 0 HB2 LEU A 27 7.916 6.818 4.902 1.00 42.42 H new ATOM 0 HB3 LEU A 27 8.135 5.218 5.582 1.00 42.42 H new ATOM 0 HG LEU A 27 5.547 6.309 4.443 1.00 22.24 H new ATOM 0 HD11 LEU A 27 5.954 4.683 2.629 1.00 40.35 H new ATOM 0 HD12 LEU A 27 7.250 5.899 2.728 1.00 40.35 H new ATOM 0 HD13 LEU A 27 7.516 4.260 3.368 1.00 40.35 H new ATOM 0 HD21 LEU A 27 4.731 3.999 4.650 1.00 23.31 H new ATOM 0 HD22 LEU A 27 6.247 3.540 5.461 1.00 23.31 H new ATOM 0 HD23 LEU A 27 5.141 4.700 6.233 1.00 23.31 H new ATOM 440 N GLN A 28 8.613 8.318 7.253 1.00 71.52 N ATOM 441 CA GLN A 28 9.820 8.918 7.786 1.00 65.11 C ATOM 442 C GLN A 28 9.580 9.520 9.165 1.00 55.25 C ATOM 443 O GLN A 28 10.493 9.572 9.990 1.00 2.11 O ATOM 444 CB GLN A 28 10.343 9.982 6.823 1.00 72.03 C ATOM 445 CG GLN A 28 10.795 9.409 5.490 1.00 23.51 C ATOM 446 CD GLN A 28 11.961 8.451 5.641 1.00 32.55 C ATOM 447 OE1 GLN A 28 11.778 7.248 5.832 1.00 4.21 O ATOM 448 NE2 GLN A 28 13.169 8.981 5.559 1.00 14.21 N ATOM 0 H GLN A 28 8.061 8.938 6.661 1.00 71.52 H new ATOM 0 HA GLN A 28 10.569 8.134 7.894 1.00 65.11 H new ATOM 0 HB2 GLN A 28 9.561 10.721 6.648 1.00 72.03 H new ATOM 0 HB3 GLN A 28 11.178 10.506 7.288 1.00 72.03 H new ATOM 0 HG2 GLN A 28 9.960 8.890 5.018 1.00 23.51 H new ATOM 0 HG3 GLN A 28 11.081 10.224 4.825 1.00 23.51 H new ATOM 0 HE21 GLN A 28 13.277 9.983 5.400 1.00 14.21 H new ATOM 0 HE22 GLN A 28 13.994 8.388 5.655 1.00 14.21 H new ATOM 457 N THR A 29 8.357 9.961 9.426 1.00 23.54 N ATOM 458 CA THR A 29 8.047 10.582 10.705 1.00 33.42 C ATOM 459 C THR A 29 7.743 9.526 11.776 1.00 51.11 C ATOM 460 O THR A 29 8.145 9.679 12.929 1.00 1.43 O ATOM 461 CB THR A 29 6.889 11.610 10.586 1.00 33.42 C ATOM 462 OG1 THR A 29 6.864 12.462 11.740 1.00 53.24 O ATOM 463 CG2 THR A 29 5.534 10.935 10.426 1.00 4.51 C ATOM 0 H THR A 29 7.572 9.901 8.777 1.00 23.54 H new ATOM 0 HA THR A 29 8.934 11.132 11.018 1.00 33.42 H new ATOM 0 HB THR A 29 7.076 12.201 9.689 1.00 33.42 H new ATOM 0 HG1 THR A 29 6.131 13.107 11.654 1.00 53.24 H new ATOM 0 HG21 THR A 29 4.756 11.695 10.347 1.00 4.51 H new ATOM 0 HG22 THR A 29 5.537 10.323 9.524 1.00 4.51 H new ATOM 0 HG23 THR A 29 5.338 10.303 11.292 1.00 4.51 H new ATOM 471 N GLU A 30 7.066 8.442 11.396 1.00 61.12 N ATOM 472 CA GLU A 30 6.761 7.368 12.334 1.00 30.44 C ATOM 473 C GLU A 30 6.995 6.001 11.698 1.00 43.14 C ATOM 474 O GLU A 30 6.110 5.442 11.053 1.00 64.40 O ATOM 475 CB GLU A 30 5.320 7.453 12.846 1.00 74.20 C ATOM 476 CG GLU A 30 5.035 8.689 13.680 1.00 14.54 C ATOM 477 CD GLU A 30 3.840 8.516 14.591 1.00 51.31 C ATOM 478 OE1 GLU A 30 4.005 7.917 15.675 1.00 54.21 O ATOM 479 OE2 GLU A 30 2.732 8.973 14.233 1.00 20.30 O ATOM 0 H GLU A 30 6.721 8.287 10.449 1.00 61.12 H new ATOM 0 HA GLU A 30 7.436 7.489 13.181 1.00 30.44 H new ATOM 0 HB2 GLU A 30 4.641 7.437 11.994 1.00 74.20 H new ATOM 0 HB3 GLU A 30 5.104 6.567 13.442 1.00 74.20 H new ATOM 0 HG2 GLU A 30 5.913 8.927 14.280 1.00 14.54 H new ATOM 0 HG3 GLU A 30 4.862 9.537 13.018 1.00 14.54 H new ATOM 486 N PRO A 31 8.198 5.445 11.875 1.00 1.44 N ATOM 487 CA PRO A 31 8.552 4.127 11.340 1.00 33.35 C ATOM 488 C PRO A 31 7.783 2.994 12.017 1.00 73.54 C ATOM 489 O PRO A 31 7.653 1.901 11.470 1.00 35.44 O ATOM 490 CB PRO A 31 10.050 4.009 11.637 1.00 63.24 C ATOM 491 CG PRO A 31 10.289 4.936 12.779 1.00 71.03 C ATOM 492 CD PRO A 31 9.320 6.069 12.599 1.00 55.31 C ATOM 0 HA PRO A 31 8.306 4.042 10.282 1.00 33.35 H new ATOM 0 HB2 PRO A 31 10.322 2.986 11.895 1.00 63.24 H new ATOM 0 HB3 PRO A 31 10.648 4.288 10.770 1.00 63.24 H new ATOM 0 HG2 PRO A 31 10.128 4.432 13.732 1.00 71.03 H new ATOM 0 HG3 PRO A 31 11.317 5.298 12.780 1.00 71.03 H new ATOM 0 HD2 PRO A 31 9.001 6.481 13.556 1.00 55.31 H new ATOM 0 HD3 PRO A 31 9.760 6.888 12.030 1.00 55.31 H new ATOM 500 N VAL A 32 7.258 3.278 13.200 1.00 65.00 N ATOM 501 CA VAL A 32 6.564 2.276 13.998 1.00 62.03 C ATOM 502 C VAL A 32 5.144 2.025 13.475 1.00 31.53 C ATOM 503 O VAL A 32 4.555 0.980 13.735 1.00 43.33 O ATOM 504 CB VAL A 32 6.515 2.692 15.490 1.00 41.15 C ATOM 505 CG1 VAL A 32 5.627 3.912 15.692 1.00 72.33 C ATOM 506 CG2 VAL A 32 6.055 1.534 16.363 1.00 53.34 C ATOM 0 H VAL A 32 7.300 4.201 13.632 1.00 65.00 H new ATOM 0 HA VAL A 32 7.128 1.347 13.911 1.00 62.03 H new ATOM 0 HB VAL A 32 7.526 2.962 15.794 1.00 41.15 H new ATOM 0 HG11 VAL A 32 5.612 4.180 16.748 1.00 72.33 H new ATOM 0 HG12 VAL A 32 6.018 4.747 15.111 1.00 72.33 H new ATOM 0 HG13 VAL A 32 4.614 3.683 15.361 1.00 72.33 H new ATOM 0 HG21 VAL A 32 6.029 1.852 17.405 1.00 53.34 H new ATOM 0 HG22 VAL A 32 5.058 1.220 16.055 1.00 53.34 H new ATOM 0 HG23 VAL A 32 6.748 0.700 16.255 1.00 53.34 H new ATOM 516 N GLY A 33 4.607 2.969 12.710 1.00 13.34 N ATOM 517 CA GLY A 33 3.245 2.842 12.229 1.00 21.33 C ATOM 518 C GLY A 33 3.186 2.722 10.726 1.00 13.23 C ATOM 519 O GLY A 33 2.150 2.979 10.111 1.00 34.22 O ATOM 0 H GLY A 33 5.090 3.818 12.415 1.00 13.34 H new ATOM 0 HA2 GLY A 33 2.781 1.966 12.681 1.00 21.33 H new ATOM 0 HA3 GLY A 33 2.666 3.709 12.547 1.00 21.33 H new ATOM 523 N LYS A 34 4.299 2.314 10.133 1.00 53.13 N ATOM 524 CA LYS A 34 4.400 2.200 8.685 1.00 21.34 C ATOM 525 C LYS A 34 3.504 1.091 8.142 1.00 4.52 C ATOM 526 O LYS A 34 3.171 1.089 6.962 1.00 72.30 O ATOM 527 CB LYS A 34 5.848 1.962 8.257 1.00 65.20 C ATOM 528 CG LYS A 34 6.736 3.184 8.425 1.00 61.31 C ATOM 529 CD LYS A 34 8.077 3.005 7.730 1.00 70.13 C ATOM 530 CE LYS A 34 8.937 1.957 8.414 1.00 5.41 C ATOM 531 NZ LYS A 34 10.237 1.779 7.718 1.00 42.51 N ATOM 0 H LYS A 34 5.148 2.055 10.635 1.00 53.13 H new ATOM 0 HA LYS A 34 4.058 3.145 8.264 1.00 21.34 H new ATOM 0 HB2 LYS A 34 6.261 1.139 8.840 1.00 65.20 H new ATOM 0 HB3 LYS A 34 5.864 1.651 7.212 1.00 65.20 H new ATOM 0 HG2 LYS A 34 6.230 4.060 8.019 1.00 61.31 H new ATOM 0 HG3 LYS A 34 6.898 3.373 9.486 1.00 61.31 H new ATOM 0 HD2 LYS A 34 7.912 2.717 6.692 1.00 70.13 H new ATOM 0 HD3 LYS A 34 8.608 3.957 7.716 1.00 70.13 H new ATOM 0 HE2 LYS A 34 9.115 2.250 9.449 1.00 5.41 H new ATOM 0 HE3 LYS A 34 8.403 1.007 8.439 1.00 5.41 H new ATOM 0 HZ1 LYS A 34 10.799 1.056 8.212 1.00 42.51 H new ATOM 0 HZ2 LYS A 34 10.067 1.476 6.738 1.00 42.51 H new ATOM 0 HZ3 LYS A 34 10.756 2.680 7.717 1.00 42.51 H new ATOM 545 N ASP A 35 3.116 0.160 9.001 1.00 13.41 N ATOM 546 CA ASP A 35 2.242 -0.938 8.597 1.00 23.33 C ATOM 547 C ASP A 35 0.908 -0.416 8.068 1.00 1.13 C ATOM 548 O ASP A 35 0.400 -0.906 7.056 1.00 4.01 O ATOM 549 CB ASP A 35 2.018 -1.912 9.761 1.00 71.04 C ATOM 550 CG ASP A 35 1.689 -1.212 11.065 1.00 61.34 C ATOM 551 OD1 ASP A 35 2.616 -0.656 11.689 1.00 20.51 O ATOM 552 OD2 ASP A 35 0.513 -1.216 11.479 1.00 34.53 O ATOM 0 H ASP A 35 3.391 0.141 9.983 1.00 13.41 H new ATOM 0 HA ASP A 35 2.736 -1.477 7.788 1.00 23.33 H new ATOM 0 HB2 ASP A 35 1.206 -2.593 9.506 1.00 71.04 H new ATOM 0 HB3 ASP A 35 2.913 -2.519 9.897 1.00 71.04 H new ATOM 557 N GLU A 36 0.363 0.599 8.731 1.00 20.54 N ATOM 558 CA GLU A 36 -0.881 1.218 8.281 1.00 55.34 C ATOM 559 C GLU A 36 -0.632 1.996 6.995 1.00 23.34 C ATOM 560 O GLU A 36 -1.423 1.943 6.051 1.00 34.14 O ATOM 561 CB GLU A 36 -1.424 2.159 9.358 1.00 24.55 C ATOM 562 CG GLU A 36 -2.712 2.878 8.973 1.00 42.54 C ATOM 563 CD GLU A 36 -3.953 2.024 9.126 1.00 33.21 C ATOM 564 OE1 GLU A 36 -4.238 1.584 10.261 1.00 42.23 O ATOM 565 OE2 GLU A 36 -4.670 1.816 8.125 1.00 70.33 O ATOM 0 H GLU A 36 0.759 1.009 9.577 1.00 20.54 H new ATOM 0 HA GLU A 36 -1.617 0.436 8.094 1.00 55.34 H new ATOM 0 HB2 GLU A 36 -1.600 1.587 10.269 1.00 24.55 H new ATOM 0 HB3 GLU A 36 -0.662 2.903 9.591 1.00 24.55 H new ATOM 0 HG2 GLU A 36 -2.818 3.771 9.589 1.00 42.54 H new ATOM 0 HG3 GLU A 36 -2.636 3.212 7.938 1.00 42.54 H new ATOM 572 N ALA A 37 0.490 2.704 6.966 1.00 71.30 N ATOM 573 CA ALA A 37 0.850 3.529 5.824 1.00 53.34 C ATOM 574 C ALA A 37 1.050 2.682 4.572 1.00 4.02 C ATOM 575 O ALA A 37 0.433 2.942 3.542 1.00 40.12 O ATOM 576 CB ALA A 37 2.102 4.335 6.132 1.00 73.35 C ATOM 0 H ALA A 37 1.169 2.722 7.727 1.00 71.30 H new ATOM 0 HA ALA A 37 0.028 4.218 5.630 1.00 53.34 H new ATOM 0 HB1 ALA A 37 2.361 4.949 5.269 1.00 73.35 H new ATOM 0 HB2 ALA A 37 1.918 4.978 6.993 1.00 73.35 H new ATOM 0 HB3 ALA A 37 2.926 3.657 6.355 1.00 73.35 H new ATOM 582 N TYR A 38 1.891 1.656 4.672 1.00 75.12 N ATOM 583 CA TYR A 38 2.187 0.787 3.534 1.00 4.43 C ATOM 584 C TYR A 38 0.928 0.105 3.015 1.00 44.45 C ATOM 585 O TYR A 38 0.777 -0.100 1.808 1.00 14.50 O ATOM 586 CB TYR A 38 3.233 -0.263 3.904 1.00 50.34 C ATOM 587 CG TYR A 38 4.653 0.250 3.845 1.00 65.34 C ATOM 588 CD1 TYR A 38 5.213 0.632 2.634 1.00 63.31 C ATOM 589 CD2 TYR A 38 5.430 0.355 4.990 1.00 5.25 C ATOM 590 CE1 TYR A 38 6.507 1.103 2.565 1.00 1.35 C ATOM 591 CE2 TYR A 38 6.727 0.827 4.929 1.00 72.15 C ATOM 592 CZ TYR A 38 7.261 1.199 3.714 1.00 24.31 C ATOM 593 OH TYR A 38 8.552 1.669 3.646 1.00 0.42 O ATOM 0 H TYR A 38 2.381 1.405 5.531 1.00 75.12 H new ATOM 0 HA TYR A 38 2.589 1.418 2.741 1.00 4.43 H new ATOM 0 HB2 TYR A 38 3.029 -0.628 4.911 1.00 50.34 H new ATOM 0 HB3 TYR A 38 3.135 -1.114 3.230 1.00 50.34 H new ATOM 0 HD1 TYR A 38 4.625 0.559 1.731 1.00 63.31 H new ATOM 0 HD2 TYR A 38 5.015 0.063 5.943 1.00 5.25 H new ATOM 0 HE1 TYR A 38 6.928 1.395 1.614 1.00 1.35 H new ATOM 0 HE2 TYR A 38 7.319 0.904 5.829 1.00 72.15 H new ATOM 0 HH TYR A 38 8.945 1.676 4.544 1.00 0.42 H new ATOM 603 N TYR A 39 0.022 -0.236 3.924 1.00 25.41 N ATOM 604 CA TYR A 39 -1.266 -0.791 3.537 1.00 2.43 C ATOM 605 C TYR A 39 -2.008 0.188 2.627 1.00 64.31 C ATOM 606 O TYR A 39 -2.539 -0.194 1.583 1.00 75.05 O ATOM 607 CB TYR A 39 -2.095 -1.109 4.786 1.00 43.24 C ATOM 608 CG TYR A 39 -3.529 -1.488 4.497 1.00 42.51 C ATOM 609 CD1 TYR A 39 -3.839 -2.631 3.769 1.00 2.10 C ATOM 610 CD2 TYR A 39 -4.575 -0.699 4.954 1.00 11.42 C ATOM 611 CE1 TYR A 39 -5.151 -2.974 3.506 1.00 11.34 C ATOM 612 CE2 TYR A 39 -5.888 -1.036 4.696 1.00 10.34 C ATOM 613 CZ TYR A 39 -6.172 -2.172 3.971 1.00 15.12 C ATOM 614 OH TYR A 39 -7.483 -2.506 3.717 1.00 62.32 O ATOM 0 H TYR A 39 0.156 -0.138 4.930 1.00 25.41 H new ATOM 0 HA TYR A 39 -1.106 -1.717 2.985 1.00 2.43 H new ATOM 0 HB2 TYR A 39 -1.617 -1.925 5.327 1.00 43.24 H new ATOM 0 HB3 TYR A 39 -2.086 -0.241 5.445 1.00 43.24 H new ATOM 0 HD1 TYR A 39 -3.041 -3.261 3.403 1.00 2.10 H new ATOM 0 HD2 TYR A 39 -4.358 0.194 5.521 1.00 11.42 H new ATOM 0 HE1 TYR A 39 -5.376 -3.865 2.939 1.00 11.34 H new ATOM 0 HE2 TYR A 39 -6.690 -0.411 5.061 1.00 10.34 H new ATOM 0 HH TYR A 39 -8.075 -1.835 4.117 1.00 62.32 H new ATOM 624 N LEU A 40 -2.008 1.454 3.018 1.00 11.40 N ATOM 625 CA LEU A 40 -2.679 2.497 2.255 1.00 61.21 C ATOM 626 C LEU A 40 -1.952 2.769 0.941 1.00 45.11 C ATOM 627 O LEU A 40 -2.584 2.964 -0.098 1.00 25.41 O ATOM 628 CB LEU A 40 -2.764 3.782 3.077 1.00 62.40 C ATOM 629 CG LEU A 40 -3.496 3.650 4.411 1.00 11.32 C ATOM 630 CD1 LEU A 40 -3.495 4.979 5.150 1.00 62.14 C ATOM 631 CD2 LEU A 40 -4.917 3.156 4.186 1.00 12.24 C ATOM 0 H LEU A 40 -1.547 1.786 3.865 1.00 11.40 H new ATOM 0 HA LEU A 40 -3.687 2.151 2.025 1.00 61.21 H new ATOM 0 HB2 LEU A 40 -1.752 4.140 3.269 1.00 62.40 H new ATOM 0 HB3 LEU A 40 -3.264 4.545 2.480 1.00 62.40 H new ATOM 0 HG LEU A 40 -2.973 2.918 5.027 1.00 11.32 H new ATOM 0 HD11 LEU A 40 -4.020 4.868 6.099 1.00 62.14 H new ATOM 0 HD12 LEU A 40 -2.467 5.290 5.339 1.00 62.14 H new ATOM 0 HD13 LEU A 40 -3.997 5.733 4.543 1.00 62.14 H new ATOM 0 HD21 LEU A 40 -5.427 3.066 5.145 1.00 12.24 H new ATOM 0 HD22 LEU A 40 -5.453 3.865 3.555 1.00 12.24 H new ATOM 0 HD23 LEU A 40 -4.891 2.182 3.697 1.00 12.24 H new ATOM 643 N MET A 41 -0.624 2.772 0.992 1.00 41.02 N ATOM 644 CA MET A 41 0.193 3.003 -0.192 1.00 14.21 C ATOM 645 C MET A 41 -0.096 1.937 -1.239 1.00 34.25 C ATOM 646 O MET A 41 -0.234 2.242 -2.425 1.00 11.50 O ATOM 647 CB MET A 41 1.682 3.005 0.170 1.00 72.45 C ATOM 648 CG MET A 41 2.025 3.978 1.286 1.00 71.22 C ATOM 649 SD MET A 41 3.763 3.959 1.760 1.00 30.30 S ATOM 650 CE MET A 41 4.504 4.806 0.369 1.00 62.53 C ATOM 0 H MET A 41 -0.089 2.616 1.846 1.00 41.02 H new ATOM 0 HA MET A 41 -0.059 3.980 -0.603 1.00 14.21 H new ATOM 0 HB2 MET A 41 1.978 2.000 0.469 1.00 72.45 H new ATOM 0 HB3 MET A 41 2.264 3.258 -0.716 1.00 72.45 H new ATOM 0 HG2 MET A 41 1.755 4.986 0.972 1.00 71.22 H new ATOM 0 HG3 MET A 41 1.417 3.743 2.160 1.00 71.22 H new ATOM 0 HE1 MET A 41 5.286 4.182 -0.063 1.00 62.53 H new ATOM 0 HE2 MET A 41 3.742 5.005 -0.384 1.00 62.53 H new ATOM 0 HE3 MET A 41 4.936 5.748 0.705 1.00 62.53 H new ATOM 660 N GLY A 42 -0.217 0.693 -0.787 1.00 42.25 N ATOM 661 CA GLY A 42 -0.569 -0.393 -1.682 1.00 73.12 C ATOM 662 C GLY A 42 -1.913 -0.168 -2.350 1.00 12.23 C ATOM 663 O GLY A 42 -2.060 -0.397 -3.549 1.00 61.42 O ATOM 0 H GLY A 42 -0.077 0.418 0.185 1.00 42.25 H new ATOM 0 HA2 GLY A 42 0.202 -0.498 -2.445 1.00 73.12 H new ATOM 0 HA3 GLY A 42 -0.594 -1.329 -1.124 1.00 73.12 H new ATOM 667 N ASN A 43 -2.887 0.292 -1.569 1.00 44.21 N ATOM 668 CA ASN A 43 -4.223 0.581 -2.093 1.00 13.43 C ATOM 669 C ASN A 43 -4.162 1.686 -3.139 1.00 1.04 C ATOM 670 O ASN A 43 -4.862 1.639 -4.151 1.00 55.44 O ATOM 671 CB ASN A 43 -5.179 1.001 -0.971 1.00 72.34 C ATOM 672 CG ASN A 43 -5.373 -0.070 0.081 1.00 24.34 C ATOM 673 OD1 ASN A 43 -5.238 -1.261 -0.190 1.00 33.51 O ATOM 674 ND2 ASN A 43 -5.706 0.348 1.290 1.00 10.45 N ATOM 0 H ASN A 43 -2.778 0.473 -0.571 1.00 44.21 H new ATOM 0 HA ASN A 43 -4.598 -0.334 -2.552 1.00 13.43 H new ATOM 0 HB2 ASN A 43 -4.795 1.903 -0.495 1.00 72.34 H new ATOM 0 HB3 ASN A 43 -6.147 1.256 -1.404 1.00 72.34 H new ATOM 0 HD21 ASN A 43 -5.861 -0.327 2.038 1.00 10.45 H new ATOM 0 HD22 ASN A 43 -5.808 1.346 1.474 1.00 10.45 H new ATOM 681 N ALA A 44 -3.316 2.676 -2.887 1.00 53.12 N ATOM 682 CA ALA A 44 -3.148 3.794 -3.802 1.00 22.33 C ATOM 683 C ALA A 44 -2.603 3.324 -5.150 1.00 53.14 C ATOM 684 O ALA A 44 -3.155 3.648 -6.202 1.00 55.02 O ATOM 685 CB ALA A 44 -2.232 4.839 -3.185 1.00 22.51 C ATOM 0 H ALA A 44 -2.733 2.726 -2.051 1.00 53.12 H new ATOM 0 HA ALA A 44 -4.125 4.244 -3.979 1.00 22.33 H new ATOM 0 HB1 ALA A 44 -2.112 5.672 -3.877 1.00 22.51 H new ATOM 0 HB2 ALA A 44 -2.668 5.201 -2.254 1.00 22.51 H new ATOM 0 HB3 ALA A 44 -1.258 4.394 -2.981 1.00 22.51 H new ATOM 691 N TYR A 45 -1.529 2.540 -5.112 1.00 64.45 N ATOM 692 CA TYR A 45 -0.926 2.018 -6.335 1.00 41.34 C ATOM 693 C TYR A 45 -1.846 1.011 -7.019 1.00 13.52 C ATOM 694 O TYR A 45 -1.799 0.848 -8.240 1.00 24.11 O ATOM 695 CB TYR A 45 0.439 1.386 -6.046 1.00 32.40 C ATOM 696 CG TYR A 45 1.519 2.402 -5.748 1.00 35.41 C ATOM 697 CD1 TYR A 45 2.167 3.069 -6.779 1.00 11.12 C ATOM 698 CD2 TYR A 45 1.884 2.701 -4.442 1.00 12.34 C ATOM 699 CE1 TYR A 45 3.150 4.001 -6.518 1.00 51.13 C ATOM 700 CE2 TYR A 45 2.864 3.634 -4.170 1.00 22.02 C ATOM 701 CZ TYR A 45 3.496 4.283 -5.214 1.00 42.43 C ATOM 702 OH TYR A 45 4.473 5.218 -4.954 1.00 25.21 O ATOM 0 H TYR A 45 -1.060 2.253 -4.253 1.00 64.45 H new ATOM 0 HA TYR A 45 -0.779 2.858 -7.014 1.00 41.34 H new ATOM 0 HB2 TYR A 45 0.345 0.707 -5.198 1.00 32.40 H new ATOM 0 HB3 TYR A 45 0.742 0.785 -6.903 1.00 32.40 H new ATOM 0 HD1 TYR A 45 1.897 2.855 -7.802 1.00 11.12 H new ATOM 0 HD2 TYR A 45 1.392 2.194 -3.625 1.00 12.34 H new ATOM 0 HE1 TYR A 45 3.647 4.508 -7.332 1.00 51.13 H new ATOM 0 HE2 TYR A 45 3.135 3.855 -3.148 1.00 22.02 H new ATOM 0 HH TYR A 45 4.597 5.301 -3.985 1.00 25.21 H new ATOM 712 N ARG A 46 -2.687 0.348 -6.230 1.00 24.13 N ATOM 713 CA ARG A 46 -3.690 -0.561 -6.774 1.00 2.12 C ATOM 714 C ARG A 46 -4.648 0.199 -7.688 1.00 71.22 C ATOM 715 O ARG A 46 -5.026 -0.289 -8.752 1.00 60.25 O ATOM 716 CB ARG A 46 -4.471 -1.242 -5.646 1.00 74.44 C ATOM 717 CG ARG A 46 -5.575 -2.164 -6.139 1.00 3.53 C ATOM 718 CD ARG A 46 -6.332 -2.806 -4.989 1.00 33.10 C ATOM 719 NE ARG A 46 -7.437 -3.636 -5.472 1.00 15.33 N ATOM 720 CZ ARG A 46 -8.250 -4.342 -4.686 1.00 2.34 C ATOM 721 NH1 ARG A 46 -8.140 -4.278 -3.366 1.00 40.11 N ATOM 722 NH2 ARG A 46 -9.200 -5.092 -5.225 1.00 42.54 N ATOM 0 H ARG A 46 -2.694 0.423 -5.213 1.00 24.13 H new ATOM 0 HA ARG A 46 -3.179 -1.329 -7.354 1.00 2.12 H new ATOM 0 HB2 ARG A 46 -3.778 -1.816 -5.031 1.00 74.44 H new ATOM 0 HB3 ARG A 46 -4.908 -0.477 -5.005 1.00 74.44 H new ATOM 0 HG2 ARG A 46 -6.270 -1.599 -6.760 1.00 3.53 H new ATOM 0 HG3 ARG A 46 -5.144 -2.942 -6.769 1.00 3.53 H new ATOM 0 HD2 ARG A 46 -5.649 -3.416 -4.398 1.00 33.10 H new ATOM 0 HD3 ARG A 46 -6.720 -2.030 -4.329 1.00 33.10 H new ATOM 0 HE ARG A 46 -7.596 -3.677 -6.479 1.00 15.33 H new ATOM 0 HH11 ARG A 46 -7.428 -3.684 -2.942 1.00 40.11 H new ATOM 0 HH12 ARG A 46 -8.768 -4.823 -2.775 1.00 40.11 H new ATOM 0 HH21 ARG A 46 -9.308 -5.128 -6.239 1.00 42.54 H new ATOM 0 HH22 ARG A 46 -9.824 -5.633 -4.626 1.00 42.54 H new ATOM 736 N LYS A 47 -5.024 1.405 -7.274 1.00 23.14 N ATOM 737 CA LYS A 47 -5.911 2.240 -8.073 1.00 21.31 C ATOM 738 C LYS A 47 -5.185 2.801 -9.290 1.00 34.25 C ATOM 739 O LYS A 47 -5.806 3.090 -10.311 1.00 54.33 O ATOM 740 CB LYS A 47 -6.495 3.381 -7.238 1.00 61.22 C ATOM 741 CG LYS A 47 -7.457 2.911 -6.160 1.00 52.44 C ATOM 742 CD LYS A 47 -8.232 4.070 -5.556 1.00 62.51 C ATOM 743 CE LYS A 47 -9.321 3.578 -4.615 1.00 61.05 C ATOM 744 NZ LYS A 47 -10.252 4.669 -4.227 1.00 31.04 N ATOM 0 H LYS A 47 -4.729 1.824 -6.392 1.00 23.14 H new ATOM 0 HA LYS A 47 -6.731 1.610 -8.418 1.00 21.31 H new ATOM 0 HB2 LYS A 47 -5.680 3.933 -6.771 1.00 61.22 H new ATOM 0 HB3 LYS A 47 -7.013 4.076 -7.899 1.00 61.22 H new ATOM 0 HG2 LYS A 47 -8.154 2.188 -6.584 1.00 52.44 H new ATOM 0 HG3 LYS A 47 -6.902 2.396 -5.376 1.00 52.44 H new ATOM 0 HD2 LYS A 47 -7.549 4.724 -5.014 1.00 62.51 H new ATOM 0 HD3 LYS A 47 -8.679 4.666 -6.352 1.00 62.51 H new ATOM 0 HE2 LYS A 47 -9.881 2.776 -5.096 1.00 61.05 H new ATOM 0 HE3 LYS A 47 -8.864 3.155 -3.720 1.00 61.05 H new ATOM 0 HZ1 LYS A 47 -10.678 4.450 -3.304 1.00 31.04 H new ATOM 0 HZ2 LYS A 47 -9.729 5.565 -4.163 1.00 31.04 H new ATOM 0 HZ3 LYS A 47 -11.002 4.756 -4.942 1.00 31.04 H new ATOM 758 N LEU A 48 -3.873 2.960 -9.175 1.00 10.50 N ATOM 759 CA LEU A 48 -3.061 3.430 -10.292 1.00 60.34 C ATOM 760 C LEU A 48 -2.929 2.347 -11.356 1.00 32.21 C ATOM 761 O LEU A 48 -2.917 2.634 -12.555 1.00 24.01 O ATOM 762 CB LEU A 48 -1.673 3.855 -9.811 1.00 43.40 C ATOM 763 CG LEU A 48 -1.648 5.081 -8.901 1.00 52.24 C ATOM 764 CD1 LEU A 48 -0.230 5.365 -8.435 1.00 5.12 C ATOM 765 CD2 LEU A 48 -2.225 6.291 -9.622 1.00 11.11 C ATOM 0 H LEU A 48 -3.348 2.771 -8.321 1.00 10.50 H new ATOM 0 HA LEU A 48 -3.562 4.294 -10.729 1.00 60.34 H new ATOM 0 HB2 LEU A 48 -1.218 3.019 -9.280 1.00 43.40 H new ATOM 0 HB3 LEU A 48 -1.050 4.056 -10.682 1.00 43.40 H new ATOM 0 HG LEU A 48 -2.265 4.876 -8.026 1.00 52.24 H new ATOM 0 HD11 LEU A 48 -0.229 6.242 -7.787 1.00 5.12 H new ATOM 0 HD12 LEU A 48 0.151 4.506 -7.883 1.00 5.12 H new ATOM 0 HD13 LEU A 48 0.407 5.552 -9.300 1.00 5.12 H new ATOM 0 HD21 LEU A 48 -2.200 7.156 -8.959 1.00 11.11 H new ATOM 0 HD22 LEU A 48 -1.633 6.500 -10.513 1.00 11.11 H new ATOM 0 HD23 LEU A 48 -3.256 6.085 -9.911 1.00 11.11 H new ATOM 777 N GLY A 49 -2.836 1.102 -10.911 1.00 34.25 N ATOM 778 CA GLY A 49 -2.693 -0.006 -11.830 1.00 13.32 C ATOM 779 C GLY A 49 -1.302 -0.601 -11.785 1.00 43.13 C ATOM 780 O GLY A 49 -0.986 -1.529 -12.531 1.00 12.55 O ATOM 0 H GLY A 49 -2.857 0.840 -9.925 1.00 34.25 H new ATOM 0 HA2 GLY A 49 -3.425 -0.776 -11.587 1.00 13.32 H new ATOM 0 HA3 GLY A 49 -2.911 0.332 -12.843 1.00 13.32 H new ATOM 784 N ASP A 50 -0.462 -0.057 -10.918 1.00 22.00 N ATOM 785 CA ASP A 50 0.893 -0.559 -10.765 1.00 34.40 C ATOM 786 C ASP A 50 0.909 -1.657 -9.717 1.00 72.42 C ATOM 787 O ASP A 50 0.875 -1.386 -8.513 1.00 24.11 O ATOM 788 CB ASP A 50 1.859 0.559 -10.368 1.00 73.20 C ATOM 789 CG ASP A 50 3.304 0.097 -10.390 1.00 44.24 C ATOM 790 OD1 ASP A 50 3.676 -0.770 -9.577 1.00 20.05 O ATOM 791 OD2 ASP A 50 4.084 0.605 -11.224 1.00 4.32 O ATOM 0 H ASP A 50 -0.694 0.730 -10.312 1.00 22.00 H new ATOM 0 HA ASP A 50 1.223 -0.960 -11.724 1.00 34.40 H new ATOM 0 HB2 ASP A 50 1.738 1.402 -11.049 1.00 73.20 H new ATOM 0 HB3 ASP A 50 1.608 0.917 -9.370 1.00 73.20 H new ATOM 796 N TRP A 51 0.943 -2.897 -10.175 1.00 24.20 N ATOM 797 CA TRP A 51 0.887 -4.036 -9.274 1.00 32.11 C ATOM 798 C TRP A 51 2.225 -4.264 -8.589 1.00 52.50 C ATOM 799 O TRP A 51 2.286 -4.897 -7.537 1.00 73.24 O ATOM 800 CB TRP A 51 0.471 -5.295 -10.031 1.00 1.22 C ATOM 801 CG TRP A 51 -0.834 -5.157 -10.755 1.00 33.03 C ATOM 802 CD1 TRP A 51 -1.019 -5.126 -12.104 1.00 12.22 C ATOM 803 CD2 TRP A 51 -2.135 -5.022 -10.169 1.00 51.52 C ATOM 804 NE1 TRP A 51 -2.355 -4.985 -12.398 1.00 43.14 N ATOM 805 CE2 TRP A 51 -3.060 -4.919 -11.223 1.00 13.24 C ATOM 806 CE3 TRP A 51 -2.604 -4.983 -8.853 1.00 14.51 C ATOM 807 CZ2 TRP A 51 -4.429 -4.778 -11.002 1.00 10.14 C ATOM 808 CZ3 TRP A 51 -3.960 -4.845 -8.635 1.00 61.33 C ATOM 809 CH2 TRP A 51 -4.860 -4.744 -9.702 1.00 50.10 C ATOM 0 H TRP A 51 1.009 -3.141 -11.163 1.00 24.20 H new ATOM 0 HA TRP A 51 0.143 -3.816 -8.508 1.00 32.11 H new ATOM 0 HB2 TRP A 51 1.250 -5.551 -10.749 1.00 1.22 H new ATOM 0 HB3 TRP A 51 0.401 -6.125 -9.328 1.00 1.22 H new ATOM 0 HD1 TRP A 51 -0.230 -5.201 -12.837 1.00 12.22 H new ATOM 0 HE1 TRP A 51 -2.756 -4.937 -13.335 1.00 43.14 H new ATOM 0 HE3 TRP A 51 -1.918 -5.059 -8.022 1.00 14.51 H new ATOM 0 HZ2 TRP A 51 -5.124 -4.699 -11.825 1.00 10.14 H new ATOM 0 HZ3 TRP A 51 -4.333 -4.814 -7.622 1.00 61.33 H new ATOM 0 HH2 TRP A 51 -5.915 -4.637 -9.497 1.00 50.10 H new ATOM 820 N GLN A 52 3.296 -3.731 -9.170 1.00 14.23 N ATOM 821 CA GLN A 52 4.629 -3.953 -8.630 1.00 3.03 C ATOM 822 C GLN A 52 4.791 -3.206 -7.312 1.00 60.13 C ATOM 823 O GLN A 52 5.193 -3.786 -6.303 1.00 0.30 O ATOM 824 CB GLN A 52 5.708 -3.504 -9.618 1.00 53.02 C ATOM 825 CG GLN A 52 7.102 -3.956 -9.216 1.00 24.31 C ATOM 826 CD GLN A 52 7.310 -5.443 -9.425 1.00 13.34 C ATOM 827 OE1 GLN A 52 7.803 -5.871 -10.467 1.00 40.32 O ATOM 828 NE2 GLN A 52 6.916 -6.246 -8.447 1.00 61.31 N ATOM 0 H GLN A 52 3.266 -3.148 -10.007 1.00 14.23 H new ATOM 0 HA GLN A 52 4.748 -5.022 -8.457 1.00 3.03 H new ATOM 0 HB2 GLN A 52 5.475 -3.898 -10.607 1.00 53.02 H new ATOM 0 HB3 GLN A 52 5.692 -2.417 -9.696 1.00 53.02 H new ATOM 0 HG2 GLN A 52 7.841 -3.403 -9.796 1.00 24.31 H new ATOM 0 HG3 GLN A 52 7.272 -3.712 -8.167 1.00 24.31 H new ATOM 0 HE21 GLN A 52 6.511 -5.854 -7.597 1.00 61.31 H new ATOM 0 HE22 GLN A 52 7.017 -7.256 -8.544 1.00 61.31 H new ATOM 837 N LYS A 53 4.458 -1.922 -7.326 1.00 63.22 N ATOM 838 CA LYS A 53 4.515 -1.107 -6.120 1.00 5.52 C ATOM 839 C LYS A 53 3.470 -1.571 -5.122 1.00 73.30 C ATOM 840 O LYS A 53 3.708 -1.574 -3.916 1.00 13.00 O ATOM 841 CB LYS A 53 4.284 0.365 -6.434 1.00 31.42 C ATOM 842 CG LYS A 53 5.548 1.168 -6.685 1.00 23.44 C ATOM 843 CD LYS A 53 5.830 1.362 -8.165 1.00 21.33 C ATOM 844 CE LYS A 53 6.483 0.145 -8.792 1.00 35.22 C ATOM 845 NZ LYS A 53 6.622 0.302 -10.261 1.00 71.23 N ATOM 0 H LYS A 53 4.146 -1.423 -8.159 1.00 63.22 H new ATOM 0 HA LYS A 53 5.511 -1.222 -5.693 1.00 5.52 H new ATOM 0 HB2 LYS A 53 3.643 0.438 -7.313 1.00 31.42 H new ATOM 0 HB3 LYS A 53 3.741 0.818 -5.605 1.00 31.42 H new ATOM 0 HG2 LYS A 53 5.457 2.142 -6.205 1.00 23.44 H new ATOM 0 HG3 LYS A 53 6.394 0.662 -6.221 1.00 23.44 H new ATOM 0 HD2 LYS A 53 4.897 1.579 -8.685 1.00 21.33 H new ATOM 0 HD3 LYS A 53 6.478 2.228 -8.298 1.00 21.33 H new ATOM 0 HE2 LYS A 53 7.465 -0.013 -8.347 1.00 35.22 H new ATOM 0 HE3 LYS A 53 5.888 -0.742 -8.574 1.00 35.22 H new ATOM 0 HZ1 LYS A 53 6.796 -0.627 -10.695 1.00 71.23 H new ATOM 0 HZ2 LYS A 53 5.748 0.708 -10.651 1.00 71.23 H new ATOM 0 HZ3 LYS A 53 7.420 0.935 -10.468 1.00 71.23 H new ATOM 859 N ALA A 54 2.309 -1.955 -5.636 1.00 60.44 N ATOM 860 CA ALA A 54 1.240 -2.475 -4.796 1.00 74.32 C ATOM 861 C ALA A 54 1.731 -3.682 -4.004 1.00 31.45 C ATOM 862 O ALA A 54 1.529 -3.759 -2.792 1.00 11.24 O ATOM 863 CB ALA A 54 0.025 -2.845 -5.637 1.00 2.24 C ATOM 0 H ALA A 54 2.084 -1.916 -6.630 1.00 60.44 H new ATOM 0 HA ALA A 54 0.942 -1.696 -4.094 1.00 74.32 H new ATOM 0 HB1 ALA A 54 -0.762 -3.231 -4.989 1.00 2.24 H new ATOM 0 HB2 ALA A 54 -0.338 -1.961 -6.161 1.00 2.24 H new ATOM 0 HB3 ALA A 54 0.304 -3.608 -6.364 1.00 2.24 H new ATOM 869 N LEU A 55 2.400 -4.602 -4.692 1.00 54.22 N ATOM 870 CA LEU A 55 2.977 -5.774 -4.046 1.00 0.51 C ATOM 871 C LEU A 55 4.011 -5.375 -3.004 1.00 45.34 C ATOM 872 O LEU A 55 3.969 -5.856 -1.875 1.00 14.24 O ATOM 873 CB LEU A 55 3.627 -6.697 -5.077 1.00 0.50 C ATOM 874 CG LEU A 55 2.655 -7.427 -5.996 1.00 12.40 C ATOM 875 CD1 LEU A 55 3.416 -8.239 -7.028 1.00 45.42 C ATOM 876 CD2 LEU A 55 1.731 -8.322 -5.185 1.00 1.23 C ATOM 0 H LEU A 55 2.556 -4.557 -5.699 1.00 54.22 H new ATOM 0 HA LEU A 55 2.164 -6.305 -3.550 1.00 0.51 H new ATOM 0 HB2 LEU A 55 4.309 -6.108 -5.690 1.00 0.50 H new ATOM 0 HB3 LEU A 55 4.230 -7.437 -4.550 1.00 0.50 H new ATOM 0 HG LEU A 55 2.046 -6.689 -6.519 1.00 12.40 H new ATOM 0 HD11 LEU A 55 2.709 -8.755 -7.678 1.00 45.42 H new ATOM 0 HD12 LEU A 55 4.040 -7.575 -7.626 1.00 45.42 H new ATOM 0 HD13 LEU A 55 4.046 -8.971 -6.523 1.00 45.42 H new ATOM 0 HD21 LEU A 55 1.043 -8.837 -5.855 1.00 1.23 H new ATOM 0 HD22 LEU A 55 2.323 -9.056 -4.639 1.00 1.23 H new ATOM 0 HD23 LEU A 55 1.164 -7.715 -4.479 1.00 1.23 H new ATOM 888 N ASN A 56 4.930 -4.493 -3.390 1.00 1.31 N ATOM 889 CA ASN A 56 5.994 -4.042 -2.493 1.00 0.22 C ATOM 890 C ASN A 56 5.421 -3.449 -1.217 1.00 34.13 C ATOM 891 O ASN A 56 5.794 -3.848 -0.118 1.00 62.40 O ATOM 892 CB ASN A 56 6.891 -3.005 -3.179 1.00 73.14 C ATOM 893 CG ASN A 56 7.791 -3.610 -4.238 1.00 52.54 C ATOM 894 OD1 ASN A 56 8.176 -4.775 -4.155 1.00 62.00 O ATOM 895 ND2 ASN A 56 8.154 -2.812 -5.233 1.00 62.13 N ATOM 0 H ASN A 56 4.960 -4.075 -4.320 1.00 1.31 H new ATOM 0 HA ASN A 56 6.593 -4.916 -2.239 1.00 0.22 H new ATOM 0 HB2 ASN A 56 6.266 -2.238 -3.636 1.00 73.14 H new ATOM 0 HB3 ASN A 56 7.506 -2.510 -2.427 1.00 73.14 H new ATOM 0 HD21 ASN A 56 8.774 -3.159 -5.965 1.00 62.13 H new ATOM 0 HD22 ASN A 56 7.813 -1.851 -5.267 1.00 62.13 H new ATOM 902 N ASN A 57 4.490 -2.517 -1.371 1.00 52.34 N ATOM 903 CA ASN A 57 3.910 -1.821 -0.227 1.00 14.31 C ATOM 904 C ASN A 57 3.085 -2.765 0.634 1.00 31.21 C ATOM 905 O ASN A 57 3.173 -2.724 1.863 1.00 20.35 O ATOM 906 CB ASN A 57 3.071 -0.627 -0.687 1.00 61.03 C ATOM 907 CG ASN A 57 3.933 0.543 -1.122 1.00 12.42 C ATOM 908 OD1 ASN A 57 4.277 1.404 -0.320 1.00 3.42 O ATOM 909 ND2 ASN A 57 4.293 0.581 -2.393 1.00 54.31 N ATOM 0 H ASN A 57 4.120 -2.225 -2.275 1.00 52.34 H new ATOM 0 HA ASN A 57 4.730 -1.446 0.386 1.00 14.31 H new ATOM 0 HB2 ASN A 57 2.430 -0.932 -1.514 1.00 61.03 H new ATOM 0 HB3 ASN A 57 2.415 -0.311 0.124 1.00 61.03 H new ATOM 0 HD21 ASN A 57 4.876 1.345 -2.735 1.00 54.31 H new ATOM 0 HD22 ASN A 57 3.988 -0.153 -3.032 1.00 54.31 H new ATOM 916 N TYR A 58 2.299 -3.630 0.000 1.00 52.02 N ATOM 917 CA TYR A 58 1.553 -4.644 0.737 1.00 15.35 C ATOM 918 C TYR A 58 2.514 -5.540 1.508 1.00 72.32 C ATOM 919 O TYR A 58 2.312 -5.810 2.691 1.00 24.44 O ATOM 920 CB TYR A 58 0.696 -5.503 -0.198 1.00 30.50 C ATOM 921 CG TYR A 58 -0.562 -4.831 -0.708 1.00 44.52 C ATOM 922 CD1 TYR A 58 -1.214 -3.858 0.038 1.00 3.43 C ATOM 923 CD2 TYR A 58 -1.107 -5.191 -1.934 1.00 30.24 C ATOM 924 CE1 TYR A 58 -2.374 -3.264 -0.425 1.00 4.34 C ATOM 925 CE2 TYR A 58 -2.263 -4.600 -2.404 1.00 52.42 C ATOM 926 CZ TYR A 58 -2.891 -3.639 -1.646 1.00 13.54 C ATOM 927 OH TYR A 58 -4.046 -3.053 -2.110 1.00 34.02 O ATOM 0 H TYR A 58 2.163 -3.650 -1.011 1.00 52.02 H new ATOM 0 HA TYR A 58 0.890 -4.127 1.431 1.00 15.35 H new ATOM 0 HB2 TYR A 58 1.303 -5.801 -1.053 1.00 30.50 H new ATOM 0 HB3 TYR A 58 0.415 -6.416 0.327 1.00 30.50 H new ATOM 0 HD1 TYR A 58 -0.809 -3.561 0.994 1.00 3.43 H new ATOM 0 HD2 TYR A 58 -0.618 -5.947 -2.530 1.00 30.24 H new ATOM 0 HE1 TYR A 58 -2.872 -2.510 0.167 1.00 4.34 H new ATOM 0 HE2 TYR A 58 -2.672 -4.890 -3.361 1.00 52.42 H new ATOM 0 HH TYR A 58 -4.419 -2.470 -1.416 1.00 34.02 H new ATOM 937 N GLN A 59 3.570 -5.978 0.832 1.00 71.01 N ATOM 938 CA GLN A 59 4.566 -6.852 1.433 1.00 53.10 C ATOM 939 C GLN A 59 5.282 -6.151 2.583 1.00 62.32 C ATOM 940 O GLN A 59 5.516 -6.752 3.624 1.00 2.44 O ATOM 941 CB GLN A 59 5.571 -7.311 0.374 1.00 63.24 C ATOM 942 CG GLN A 59 5.633 -8.820 0.202 1.00 70.33 C ATOM 943 CD GLN A 59 6.441 -9.503 1.287 1.00 41.30 C ATOM 944 OE1 GLN A 59 7.644 -9.713 1.139 1.00 0.51 O ATOM 945 NE2 GLN A 59 5.796 -9.847 2.388 1.00 53.43 N ATOM 0 H GLN A 59 3.758 -5.738 -0.142 1.00 71.01 H new ATOM 0 HA GLN A 59 4.058 -7.727 1.837 1.00 53.10 H new ATOM 0 HB2 GLN A 59 5.311 -6.856 -0.582 1.00 63.24 H new ATOM 0 HB3 GLN A 59 6.562 -6.944 0.643 1.00 63.24 H new ATOM 0 HG2 GLN A 59 4.620 -9.223 0.202 1.00 70.33 H new ATOM 0 HG3 GLN A 59 6.069 -9.053 -0.770 1.00 70.33 H new ATOM 0 HE21 GLN A 59 4.798 -9.657 2.475 1.00 53.43 H new ATOM 0 HE22 GLN A 59 6.297 -10.303 3.151 1.00 53.43 H new ATOM 954 N SER A 60 5.610 -4.878 2.392 1.00 5.44 N ATOM 955 CA SER A 60 6.274 -4.091 3.426 1.00 23.14 C ATOM 956 C SER A 60 5.419 -4.010 4.689 1.00 55.25 C ATOM 957 O SER A 60 5.943 -4.046 5.805 1.00 42.41 O ATOM 958 CB SER A 60 6.592 -2.687 2.906 1.00 40.31 C ATOM 959 OG SER A 60 7.487 -2.742 1.806 1.00 3.13 O ATOM 0 H SER A 60 5.426 -4.367 1.528 1.00 5.44 H new ATOM 0 HA SER A 60 7.209 -4.590 3.682 1.00 23.14 H new ATOM 0 HB2 SER A 60 5.670 -2.190 2.605 1.00 40.31 H new ATOM 0 HB3 SER A 60 7.030 -2.090 3.706 1.00 40.31 H new ATOM 0 HG SER A 60 7.027 -3.121 1.028 1.00 3.13 H new ATOM 965 N ALA A 61 4.105 -3.913 4.510 1.00 0.11 N ATOM 966 CA ALA A 61 3.185 -3.903 5.639 1.00 12.04 C ATOM 967 C ALA A 61 3.121 -5.286 6.281 1.00 73.15 C ATOM 968 O ALA A 61 3.060 -5.409 7.503 1.00 20.11 O ATOM 969 CB ALA A 61 1.799 -3.458 5.197 1.00 30.01 C ATOM 0 H ALA A 61 3.656 -3.841 3.597 1.00 0.11 H new ATOM 0 HA ALA A 61 3.553 -3.192 6.378 1.00 12.04 H new ATOM 0 HB1 ALA A 61 1.126 -3.457 6.055 1.00 30.01 H new ATOM 0 HB2 ALA A 61 1.856 -2.453 4.779 1.00 30.01 H new ATOM 0 HB3 ALA A 61 1.421 -4.145 4.440 1.00 30.01 H new ATOM 975 N ILE A 62 3.149 -6.320 5.444 1.00 11.44 N ATOM 976 CA ILE A 62 3.125 -7.707 5.910 1.00 35.43 C ATOM 977 C ILE A 62 4.384 -8.045 6.707 1.00 21.24 C ATOM 978 O ILE A 62 4.322 -8.740 7.724 1.00 21.20 O ATOM 979 CB ILE A 62 2.999 -8.695 4.728 1.00 1.11 C ATOM 980 CG1 ILE A 62 1.663 -8.503 4.007 1.00 24.13 C ATOM 981 CG2 ILE A 62 3.139 -10.133 5.213 1.00 52.51 C ATOM 982 CD1 ILE A 62 1.514 -9.367 2.775 1.00 0.44 C ATOM 0 H ILE A 62 3.189 -6.223 4.429 1.00 11.44 H new ATOM 0 HA ILE A 62 2.253 -7.807 6.556 1.00 35.43 H new ATOM 0 HB ILE A 62 3.805 -8.489 4.023 1.00 1.11 H new ATOM 0 HG12 ILE A 62 0.850 -8.726 4.698 1.00 24.13 H new ATOM 0 HG13 ILE A 62 1.560 -7.456 3.722 1.00 24.13 H new ATOM 0 HG21 ILE A 62 3.047 -10.813 4.366 1.00 52.51 H new ATOM 0 HG22 ILE A 62 4.114 -10.266 5.681 1.00 52.51 H new ATOM 0 HG23 ILE A 62 2.356 -10.350 5.939 1.00 52.51 H new ATOM 0 HD11 ILE A 62 0.544 -9.179 2.314 1.00 0.44 H new ATOM 0 HD12 ILE A 62 2.305 -9.128 2.065 1.00 0.44 H new ATOM 0 HD13 ILE A 62 1.585 -10.418 3.057 1.00 0.44 H new ATOM 994 N GLU A 63 5.526 -7.556 6.236 1.00 54.13 N ATOM 995 CA GLU A 63 6.801 -7.788 6.908 1.00 64.35 C ATOM 996 C GLU A 63 6.792 -7.185 8.307 1.00 23.14 C ATOM 997 O GLU A 63 7.518 -7.638 9.194 1.00 52.22 O ATOM 998 CB GLU A 63 7.959 -7.213 6.087 1.00 73.44 C ATOM 999 CG GLU A 63 8.161 -7.908 4.750 1.00 53.13 C ATOM 1000 CD GLU A 63 9.378 -7.404 4.006 1.00 52.02 C ATOM 1001 OE1 GLU A 63 10.480 -7.943 4.227 1.00 52.41 O ATOM 1002 OE2 GLU A 63 9.240 -6.468 3.186 1.00 71.42 O ATOM 0 H GLU A 63 5.595 -6.994 5.388 1.00 54.13 H new ATOM 0 HA GLU A 63 6.944 -8.865 6.998 1.00 64.35 H new ATOM 0 HB2 GLU A 63 7.778 -6.152 5.912 1.00 73.44 H new ATOM 0 HB3 GLU A 63 8.878 -7.288 6.668 1.00 73.44 H new ATOM 0 HG2 GLU A 63 8.260 -8.981 4.915 1.00 53.13 H new ATOM 0 HG3 GLU A 63 7.276 -7.761 4.131 1.00 53.13 H new ATOM 1009 N LEU A 64 5.960 -6.171 8.498 1.00 44.34 N ATOM 1010 CA LEU A 64 5.799 -5.549 9.800 1.00 74.02 C ATOM 1011 C LEU A 64 4.717 -6.272 10.600 1.00 31.34 C ATOM 1012 O LEU A 64 4.968 -6.763 11.703 1.00 44.12 O ATOM 1013 CB LEU A 64 5.444 -4.066 9.640 1.00 13.04 C ATOM 1014 CG LEU A 64 6.506 -3.213 8.942 1.00 24.02 C ATOM 1015 CD1 LEU A 64 6.010 -1.786 8.765 1.00 41.31 C ATOM 1016 CD2 LEU A 64 7.803 -3.231 9.734 1.00 4.24 C ATOM 0 H LEU A 64 5.384 -5.762 7.762 1.00 44.34 H new ATOM 0 HA LEU A 64 6.741 -5.623 10.343 1.00 74.02 H new ATOM 0 HB2 LEU A 64 4.513 -3.990 9.078 1.00 13.04 H new ATOM 0 HB3 LEU A 64 5.255 -3.646 10.628 1.00 13.04 H new ATOM 0 HG LEU A 64 6.697 -3.636 7.956 1.00 24.02 H new ATOM 0 HD11 LEU A 64 6.777 -1.193 8.267 1.00 41.31 H new ATOM 0 HD12 LEU A 64 5.104 -1.788 8.160 1.00 41.31 H new ATOM 0 HD13 LEU A 64 5.793 -1.352 9.741 1.00 41.31 H new ATOM 0 HD21 LEU A 64 8.549 -2.620 9.225 1.00 4.24 H new ATOM 0 HD22 LEU A 64 7.625 -2.830 10.732 1.00 4.24 H new ATOM 0 HD23 LEU A 64 8.167 -4.256 9.814 1.00 4.24 H new ATOM 1028 N ASN A 65 3.521 -6.352 10.027 1.00 41.15 N ATOM 1029 CA ASN A 65 2.389 -6.994 10.688 1.00 64.30 C ATOM 1030 C ASN A 65 1.852 -8.148 9.856 1.00 44.11 C ATOM 1031 O ASN A 65 1.415 -7.948 8.723 1.00 55.15 O ATOM 1032 CB ASN A 65 1.240 -6.005 10.925 1.00 55.52 C ATOM 1033 CG ASN A 65 1.503 -5.010 12.035 1.00 71.13 C ATOM 1034 OD1 ASN A 65 2.635 -4.581 12.265 1.00 64.34 O ATOM 1035 ND2 ASN A 65 0.445 -4.649 12.741 1.00 73.35 N ATOM 0 H ASN A 65 3.309 -5.978 9.102 1.00 41.15 H new ATOM 0 HA ASN A 65 2.758 -7.362 11.645 1.00 64.30 H new ATOM 0 HB2 ASN A 65 1.047 -5.460 10.001 1.00 55.52 H new ATOM 0 HB3 ASN A 65 0.335 -6.565 11.160 1.00 55.52 H new ATOM 0 HD21 ASN A 65 0.547 -3.989 13.512 1.00 73.35 H new ATOM 0 HD22 ASN A 65 -0.474 -5.030 12.514 1.00 73.35 H new ATOM 1042 N PRO A 66 1.860 -9.368 10.410 1.00 70.02 N ATOM 1043 CA PRO A 66 1.230 -10.520 9.767 1.00 23.35 C ATOM 1044 C PRO A 66 -0.291 -10.437 9.875 1.00 44.20 C ATOM 1045 O PRO A 66 -1.023 -11.153 9.194 1.00 2.12 O ATOM 1046 CB PRO A 66 1.768 -11.710 10.564 1.00 3.11 C ATOM 1047 CG PRO A 66 2.081 -11.156 11.912 1.00 23.34 C ATOM 1048 CD PRO A 66 2.491 -9.722 11.697 1.00 41.41 C ATOM 0 HA PRO A 66 1.450 -10.587 8.702 1.00 23.35 H new ATOM 0 HB2 PRO A 66 1.030 -12.510 10.627 1.00 3.11 H new ATOM 0 HB3 PRO A 66 2.656 -12.132 10.094 1.00 3.11 H new ATOM 0 HG2 PRO A 66 1.213 -11.218 12.568 1.00 23.34 H new ATOM 0 HG3 PRO A 66 2.882 -11.722 12.388 1.00 23.34 H new ATOM 0 HD2 PRO A 66 2.141 -9.080 12.505 1.00 41.41 H new ATOM 0 HD3 PRO A 66 3.575 -9.617 11.654 1.00 41.41 H new ATOM 1056 N ASP A 67 -0.745 -9.538 10.742 1.00 61.24 N ATOM 1057 CA ASP A 67 -2.166 -9.294 10.954 1.00 52.42 C ATOM 1058 C ASP A 67 -2.654 -8.156 10.064 1.00 54.11 C ATOM 1059 O ASP A 67 -3.839 -7.821 10.060 1.00 70.20 O ATOM 1060 CB ASP A 67 -2.421 -8.946 12.423 1.00 5.34 C ATOM 1061 CG ASP A 67 -1.638 -7.725 12.873 1.00 15.34 C ATOM 1062 OD1 ASP A 67 -0.459 -7.881 13.264 1.00 13.22 O ATOM 1063 OD2 ASP A 67 -2.194 -6.608 12.846 1.00 52.51 O ATOM 0 H ASP A 67 -0.136 -8.957 11.318 1.00 61.24 H new ATOM 0 HA ASP A 67 -2.715 -10.200 10.695 1.00 52.42 H new ATOM 0 HB2 ASP A 67 -3.486 -8.766 12.571 1.00 5.34 H new ATOM 0 HB3 ASP A 67 -2.151 -9.798 13.047 1.00 5.34 H new ATOM 1068 N SER A 68 -1.734 -7.575 9.305 1.00 33.22 N ATOM 1069 CA SER A 68 -2.054 -6.453 8.436 1.00 43.30 C ATOM 1070 C SER A 68 -3.044 -6.873 7.351 1.00 61.44 C ATOM 1071 O SER A 68 -2.909 -7.944 6.759 1.00 55.43 O ATOM 1072 CB SER A 68 -0.775 -5.901 7.797 1.00 55.31 C ATOM 1073 OG SER A 68 -1.058 -4.811 6.934 1.00 73.31 O ATOM 0 H SER A 68 -0.756 -7.865 9.275 1.00 33.22 H new ATOM 0 HA SER A 68 -2.517 -5.672 9.039 1.00 43.30 H new ATOM 0 HB2 SER A 68 -0.085 -5.580 8.578 1.00 55.31 H new ATOM 0 HB3 SER A 68 -0.276 -6.691 7.236 1.00 55.31 H new ATOM 0 HG SER A 68 -0.723 -3.982 7.334 1.00 73.31 H new ATOM 1079 N PRO A 69 -4.061 -6.034 7.082 1.00 44.44 N ATOM 1080 CA PRO A 69 -5.051 -6.294 6.028 1.00 63.45 C ATOM 1081 C PRO A 69 -4.400 -6.402 4.652 1.00 21.43 C ATOM 1082 O PRO A 69 -4.986 -6.940 3.709 1.00 74.12 O ATOM 1083 CB PRO A 69 -5.980 -5.078 6.089 1.00 2.31 C ATOM 1084 CG PRO A 69 -5.772 -4.496 7.444 1.00 24.31 C ATOM 1085 CD PRO A 69 -4.340 -4.776 7.795 1.00 13.20 C ATOM 0 HA PRO A 69 -5.570 -7.240 6.180 1.00 63.45 H new ATOM 0 HB2 PRO A 69 -5.736 -4.357 5.309 1.00 2.31 H new ATOM 0 HB3 PRO A 69 -7.020 -5.369 5.941 1.00 2.31 H new ATOM 0 HG2 PRO A 69 -5.972 -3.425 7.444 1.00 24.31 H new ATOM 0 HG3 PRO A 69 -6.448 -4.947 8.171 1.00 24.31 H new ATOM 0 HD2 PRO A 69 -3.680 -3.972 7.468 1.00 13.20 H new ATOM 0 HD3 PRO A 69 -4.202 -4.883 8.871 1.00 13.20 H new ATOM 1093 N ALA A 70 -3.168 -5.908 4.556 1.00 53.24 N ATOM 1094 CA ALA A 70 -2.401 -5.977 3.322 1.00 53.45 C ATOM 1095 C ALA A 70 -2.028 -7.418 2.997 1.00 31.04 C ATOM 1096 O ALA A 70 -1.602 -7.721 1.885 1.00 41.30 O ATOM 1097 CB ALA A 70 -1.153 -5.116 3.430 1.00 14.00 C ATOM 0 H ALA A 70 -2.679 -5.453 5.327 1.00 53.24 H new ATOM 0 HA ALA A 70 -3.020 -5.595 2.510 1.00 53.45 H new ATOM 0 HB1 ALA A 70 -0.588 -5.176 2.500 1.00 14.00 H new ATOM 0 HB2 ALA A 70 -1.440 -4.081 3.614 1.00 14.00 H new ATOM 0 HB3 ALA A 70 -0.535 -5.473 4.254 1.00 14.00 H new ATOM 1103 N LEU A 71 -2.194 -8.303 3.980 1.00 74.04 N ATOM 1104 CA LEU A 71 -1.920 -9.724 3.801 1.00 71.43 C ATOM 1105 C LEU A 71 -2.767 -10.274 2.671 1.00 22.53 C ATOM 1106 O LEU A 71 -2.269 -10.857 1.704 1.00 0.14 O ATOM 1107 CB LEU A 71 -2.285 -10.490 5.077 1.00 45.34 C ATOM 1108 CG LEU A 71 -1.484 -11.766 5.324 1.00 75.35 C ATOM 1109 CD1 LEU A 71 -0.048 -11.432 5.679 1.00 3.35 C ATOM 1110 CD2 LEU A 71 -2.125 -12.598 6.419 1.00 4.45 C ATOM 0 H LEU A 71 -2.520 -8.055 4.914 1.00 74.04 H new ATOM 0 HA LEU A 71 -0.860 -9.844 3.575 1.00 71.43 H new ATOM 0 HB2 LEU A 71 -2.151 -9.826 5.931 1.00 45.34 H new ATOM 0 HB3 LEU A 71 -3.343 -10.747 5.036 1.00 45.34 H new ATOM 0 HG LEU A 71 -1.484 -12.353 4.406 1.00 75.35 H new ATOM 0 HD11 LEU A 71 0.508 -12.354 5.852 1.00 3.35 H new ATOM 0 HD12 LEU A 71 0.411 -10.880 4.859 1.00 3.35 H new ATOM 0 HD13 LEU A 71 -0.029 -10.822 6.582 1.00 3.35 H new ATOM 0 HD21 LEU A 71 -1.538 -13.503 6.579 1.00 4.45 H new ATOM 0 HD22 LEU A 71 -2.160 -12.020 7.342 1.00 4.45 H new ATOM 0 HD23 LEU A 71 -3.138 -12.870 6.123 1.00 4.45 H new ATOM 1122 N GLN A 72 -4.057 -10.043 2.806 1.00 61.54 N ATOM 1123 CA GLN A 72 -5.043 -10.573 1.891 1.00 75.31 C ATOM 1124 C GLN A 72 -5.027 -9.794 0.583 1.00 51.14 C ATOM 1125 O GLN A 72 -5.241 -10.351 -0.492 1.00 72.55 O ATOM 1126 CB GLN A 72 -6.415 -10.506 2.559 1.00 4.21 C ATOM 1127 CG GLN A 72 -6.395 -11.029 3.992 1.00 51.52 C ATOM 1128 CD GLN A 72 -6.074 -12.508 4.073 1.00 43.34 C ATOM 1129 OE1 GLN A 72 -6.355 -13.273 3.150 1.00 53.14 O ATOM 1130 NE2 GLN A 72 -5.499 -12.925 5.188 1.00 32.34 N ATOM 0 H GLN A 72 -4.451 -9.479 3.559 1.00 61.54 H new ATOM 0 HA GLN A 72 -4.811 -11.611 1.653 1.00 75.31 H new ATOM 0 HB2 GLN A 72 -6.766 -9.474 2.557 1.00 4.21 H new ATOM 0 HB3 GLN A 72 -7.129 -11.086 1.974 1.00 4.21 H new ATOM 0 HG2 GLN A 72 -5.658 -10.470 4.568 1.00 51.52 H new ATOM 0 HG3 GLN A 72 -7.365 -10.847 4.454 1.00 51.52 H new ATOM 0 HE21 GLN A 72 -5.282 -12.259 5.930 1.00 32.34 H new ATOM 0 HE22 GLN A 72 -5.272 -13.912 5.306 1.00 32.34 H new ATOM 1139 N ALA A 73 -4.746 -8.502 0.689 1.00 41.03 N ATOM 1140 CA ALA A 73 -4.667 -7.635 -0.474 1.00 65.51 C ATOM 1141 C ALA A 73 -3.482 -8.021 -1.358 1.00 41.20 C ATOM 1142 O ALA A 73 -3.576 -8.007 -2.584 1.00 25.32 O ATOM 1143 CB ALA A 73 -4.571 -6.181 -0.034 1.00 41.23 C ATOM 0 H ALA A 73 -4.568 -8.031 1.576 1.00 41.03 H new ATOM 0 HA ALA A 73 -5.574 -7.757 -1.065 1.00 65.51 H new ATOM 0 HB1 ALA A 73 -4.512 -5.538 -0.912 1.00 41.23 H new ATOM 0 HB2 ALA A 73 -5.453 -5.918 0.549 1.00 41.23 H new ATOM 0 HB3 ALA A 73 -3.678 -6.044 0.576 1.00 41.23 H new ATOM 1149 N ARG A 74 -2.370 -8.385 -0.728 1.00 22.55 N ATOM 1150 CA ARG A 74 -1.187 -8.826 -1.456 1.00 13.25 C ATOM 1151 C ARG A 74 -1.476 -10.147 -2.161 1.00 1.33 C ATOM 1152 O ARG A 74 -1.060 -10.360 -3.300 1.00 53.35 O ATOM 1153 CB ARG A 74 0.005 -8.961 -0.496 1.00 50.40 C ATOM 1154 CG ARG A 74 1.343 -9.238 -1.174 1.00 22.35 C ATOM 1155 CD ARG A 74 1.606 -10.728 -1.330 1.00 14.31 C ATOM 1156 NE ARG A 74 1.742 -11.403 -0.037 1.00 50.20 N ATOM 1157 CZ ARG A 74 1.942 -12.714 0.102 1.00 34.21 C ATOM 1158 NH1 ARG A 74 2.019 -13.497 -0.970 1.00 11.13 N ATOM 1159 NH2 ARG A 74 2.073 -13.238 1.315 1.00 25.43 N ATOM 0 H ARG A 74 -2.264 -8.383 0.286 1.00 22.55 H new ATOM 0 HA ARG A 74 -0.930 -8.083 -2.211 1.00 13.25 H new ATOM 0 HB2 ARG A 74 0.091 -8.043 0.085 1.00 50.40 H new ATOM 0 HB3 ARG A 74 -0.203 -9.766 0.209 1.00 50.40 H new ATOM 0 HG2 ARG A 74 1.357 -8.763 -2.155 1.00 22.35 H new ATOM 0 HG3 ARG A 74 2.145 -8.788 -0.590 1.00 22.35 H new ATOM 0 HD2 ARG A 74 0.790 -11.183 -1.891 1.00 14.31 H new ATOM 0 HD3 ARG A 74 2.515 -10.876 -1.913 1.00 14.31 H new ATOM 0 HE ARG A 74 1.680 -10.836 0.808 1.00 50.20 H new ATOM 0 HH11 ARG A 74 1.925 -13.095 -1.903 1.00 11.13 H new ATOM 0 HH12 ARG A 74 2.172 -14.499 -0.859 1.00 11.13 H new ATOM 0 HH21 ARG A 74 2.021 -12.638 2.138 1.00 25.43 H new ATOM 0 HH22 ARG A 74 2.226 -14.241 1.424 1.00 25.43 H new ATOM 1173 N LYS A 75 -2.206 -11.022 -1.476 1.00 63.22 N ATOM 1174 CA LYS A 75 -2.625 -12.298 -2.046 1.00 32.41 C ATOM 1175 C LYS A 75 -3.546 -12.057 -3.243 1.00 23.42 C ATOM 1176 O LYS A 75 -3.459 -12.739 -4.265 1.00 41.21 O ATOM 1177 CB LYS A 75 -3.348 -13.126 -0.977 1.00 74.34 C ATOM 1178 CG LYS A 75 -3.682 -14.549 -1.398 1.00 24.33 C ATOM 1179 CD LYS A 75 -2.430 -15.384 -1.619 1.00 3.14 C ATOM 1180 CE LYS A 75 -1.580 -15.480 -0.358 1.00 63.52 C ATOM 1181 NZ LYS A 75 -2.319 -16.097 0.780 1.00 24.12 N ATOM 0 H LYS A 75 -2.522 -10.869 -0.518 1.00 63.22 H new ATOM 0 HA LYS A 75 -1.747 -12.847 -2.387 1.00 32.41 H new ATOM 0 HB2 LYS A 75 -2.727 -13.162 -0.082 1.00 74.34 H new ATOM 0 HB3 LYS A 75 -4.271 -12.616 -0.704 1.00 74.34 H new ATOM 0 HG2 LYS A 75 -4.301 -15.018 -0.633 1.00 24.33 H new ATOM 0 HG3 LYS A 75 -4.271 -14.528 -2.315 1.00 24.33 H new ATOM 0 HD2 LYS A 75 -2.714 -16.385 -1.942 1.00 3.14 H new ATOM 0 HD3 LYS A 75 -1.839 -14.945 -2.423 1.00 3.14 H new ATOM 0 HE2 LYS A 75 -0.687 -16.068 -0.569 1.00 63.52 H new ATOM 0 HE3 LYS A 75 -1.245 -14.483 -0.072 1.00 63.52 H new ATOM 0 HZ1 LYS A 75 -1.663 -16.265 1.570 1.00 24.12 H new ATOM 0 HZ2 LYS A 75 -3.077 -15.456 1.090 1.00 24.12 H new ATOM 0 HZ3 LYS A 75 -2.733 -17.001 0.476 1.00 24.12 H new ATOM 1195 N MET A 76 -4.416 -11.065 -3.093 1.00 24.53 N ATOM 1196 CA MET A 76 -5.355 -10.664 -4.137 1.00 60.11 C ATOM 1197 C MET A 76 -4.602 -10.275 -5.411 1.00 72.35 C ATOM 1198 O MET A 76 -4.895 -10.773 -6.505 1.00 4.43 O ATOM 1199 CB MET A 76 -6.181 -9.475 -3.618 1.00 14.24 C ATOM 1200 CG MET A 76 -7.443 -9.153 -4.405 1.00 30.22 C ATOM 1201 SD MET A 76 -7.130 -8.551 -6.073 1.00 3.20 S ATOM 1202 CE MET A 76 -6.196 -7.056 -5.739 1.00 20.32 C ATOM 0 H MET A 76 -4.491 -10.512 -2.239 1.00 24.53 H new ATOM 0 HA MET A 76 -6.016 -11.496 -4.380 1.00 60.11 H new ATOM 0 HB2 MET A 76 -6.461 -9.675 -2.584 1.00 14.24 H new ATOM 0 HB3 MET A 76 -5.544 -8.590 -3.610 1.00 14.24 H new ATOM 0 HG2 MET A 76 -8.062 -10.049 -4.463 1.00 30.22 H new ATOM 0 HG3 MET A 76 -8.017 -8.403 -3.861 1.00 30.22 H new ATOM 0 HE1 MET A 76 -6.548 -6.254 -6.388 1.00 20.32 H new ATOM 0 HE2 MET A 76 -6.334 -6.766 -4.697 1.00 20.32 H new ATOM 0 HE3 MET A 76 -5.138 -7.238 -5.928 1.00 20.32 H new ATOM 1212 N VAL A 77 -3.616 -9.398 -5.250 1.00 62.44 N ATOM 1213 CA VAL A 77 -2.845 -8.878 -6.374 1.00 4.31 C ATOM 1214 C VAL A 77 -2.069 -9.983 -7.086 1.00 45.11 C ATOM 1215 O VAL A 77 -2.065 -10.055 -8.317 1.00 13.13 O ATOM 1216 CB VAL A 77 -1.860 -7.776 -5.918 1.00 25.10 C ATOM 1217 CG1 VAL A 77 -0.986 -7.315 -7.073 1.00 32.32 C ATOM 1218 CG2 VAL A 77 -2.614 -6.595 -5.326 1.00 31.05 C ATOM 0 H VAL A 77 -3.330 -9.030 -4.343 1.00 62.44 H new ATOM 0 HA VAL A 77 -3.564 -8.449 -7.072 1.00 4.31 H new ATOM 0 HB VAL A 77 -1.215 -8.201 -5.148 1.00 25.10 H new ATOM 0 HG11 VAL A 77 -0.303 -6.540 -6.725 1.00 32.32 H new ATOM 0 HG12 VAL A 77 -0.413 -8.160 -7.455 1.00 32.32 H new ATOM 0 HG13 VAL A 77 -1.615 -6.914 -7.868 1.00 32.32 H new ATOM 0 HG21 VAL A 77 -1.904 -5.831 -5.011 1.00 31.05 H new ATOM 0 HG22 VAL A 77 -3.286 -6.179 -6.077 1.00 31.05 H new ATOM 0 HG23 VAL A 77 -3.194 -6.928 -4.465 1.00 31.05 H new ATOM 1228 N MET A 78 -1.423 -10.846 -6.312 1.00 45.12 N ATOM 1229 CA MET A 78 -0.599 -11.906 -6.878 1.00 62.44 C ATOM 1230 C MET A 78 -1.424 -12.841 -7.748 1.00 13.12 C ATOM 1231 O MET A 78 -0.989 -13.228 -8.831 1.00 43.22 O ATOM 1232 CB MET A 78 0.108 -12.699 -5.778 1.00 62.52 C ATOM 1233 CG MET A 78 1.161 -11.895 -5.035 1.00 14.15 C ATOM 1234 SD MET A 78 2.143 -12.899 -3.907 1.00 13.44 S ATOM 1235 CE MET A 78 2.908 -14.036 -5.060 1.00 75.31 C ATOM 0 H MET A 78 -1.454 -10.833 -5.293 1.00 45.12 H new ATOM 0 HA MET A 78 0.156 -11.431 -7.504 1.00 62.44 H new ATOM 0 HB2 MET A 78 -0.634 -13.058 -5.065 1.00 62.52 H new ATOM 0 HB3 MET A 78 0.577 -13.578 -6.219 1.00 62.52 H new ATOM 0 HG2 MET A 78 1.823 -11.417 -5.757 1.00 14.15 H new ATOM 0 HG3 MET A 78 0.673 -11.098 -4.473 1.00 14.15 H new ATOM 0 HE1 MET A 78 3.848 -14.398 -4.644 1.00 75.31 H new ATOM 0 HE2 MET A 78 2.241 -14.880 -5.236 1.00 75.31 H new ATOM 0 HE3 MET A 78 3.101 -13.523 -6.002 1.00 75.31 H new ATOM 1245 N ASP A 79 -2.621 -13.182 -7.284 1.00 72.21 N ATOM 1246 CA ASP A 79 -3.508 -14.061 -8.041 1.00 33.14 C ATOM 1247 C ASP A 79 -3.845 -13.435 -9.392 1.00 64.03 C ATOM 1248 O ASP A 79 -3.849 -14.114 -10.428 1.00 40.11 O ATOM 1249 CB ASP A 79 -4.790 -14.340 -7.252 1.00 1.15 C ATOM 1250 CG ASP A 79 -5.718 -15.297 -7.973 1.00 71.31 C ATOM 1251 OD1 ASP A 79 -5.396 -16.504 -8.049 1.00 40.41 O ATOM 1252 OD2 ASP A 79 -6.776 -14.853 -8.466 1.00 72.33 O ATOM 0 H ASP A 79 -2.999 -12.865 -6.391 1.00 72.21 H new ATOM 0 HA ASP A 79 -2.994 -15.007 -8.211 1.00 33.14 H new ATOM 0 HB2 ASP A 79 -4.530 -14.755 -6.278 1.00 1.15 H new ATOM 0 HB3 ASP A 79 -5.312 -13.401 -7.069 1.00 1.15 H new ATOM 1257 N ILE A 80 -4.106 -12.131 -9.372 1.00 21.24 N ATOM 1258 CA ILE A 80 -4.363 -11.379 -10.594 1.00 15.42 C ATOM 1259 C ILE A 80 -3.169 -11.457 -11.545 1.00 12.21 C ATOM 1260 O ILE A 80 -3.330 -11.715 -12.739 1.00 41.40 O ATOM 1261 CB ILE A 80 -4.674 -9.895 -10.290 1.00 44.14 C ATOM 1262 CG1 ILE A 80 -6.001 -9.769 -9.541 1.00 4.51 C ATOM 1263 CG2 ILE A 80 -4.710 -9.071 -11.570 1.00 13.24 C ATOM 1264 CD1 ILE A 80 -6.407 -8.334 -9.275 1.00 4.33 C ATOM 0 H ILE A 80 -4.145 -11.573 -8.519 1.00 21.24 H new ATOM 0 HA ILE A 80 -5.234 -11.831 -11.069 1.00 15.42 H new ATOM 0 HB ILE A 80 -3.876 -9.507 -9.657 1.00 44.14 H new ATOM 0 HG12 ILE A 80 -6.784 -10.259 -10.119 1.00 4.51 H new ATOM 0 HG13 ILE A 80 -5.926 -10.300 -8.592 1.00 4.51 H new ATOM 0 HG21 ILE A 80 -4.931 -8.031 -11.327 1.00 13.24 H new ATOM 0 HG22 ILE A 80 -3.742 -9.130 -12.068 1.00 13.24 H new ATOM 0 HG23 ILE A 80 -5.483 -9.461 -12.232 1.00 13.24 H new ATOM 0 HD11 ILE A 80 -7.357 -8.318 -8.741 1.00 4.33 H new ATOM 0 HD12 ILE A 80 -5.642 -7.846 -8.671 1.00 4.33 H new ATOM 0 HD13 ILE A 80 -6.514 -7.805 -10.222 1.00 4.33 H new ATOM 1276 N LEU A 81 -1.975 -11.247 -11.006 1.00 74.11 N ATOM 1277 CA LEU A 81 -0.754 -11.256 -11.808 1.00 23.54 C ATOM 1278 C LEU A 81 -0.439 -12.647 -12.346 1.00 13.34 C ATOM 1279 O LEU A 81 0.089 -12.781 -13.451 1.00 31.31 O ATOM 1280 CB LEU A 81 0.415 -10.719 -10.990 1.00 71.23 C ATOM 1281 CG LEU A 81 0.302 -9.239 -10.636 1.00 2.24 C ATOM 1282 CD1 LEU A 81 1.358 -8.854 -9.625 1.00 34.43 C ATOM 1283 CD2 LEU A 81 0.440 -8.382 -11.883 1.00 55.23 C ATOM 0 H LEU A 81 -1.824 -11.068 -10.013 1.00 74.11 H new ATOM 0 HA LEU A 81 -0.916 -10.606 -12.668 1.00 23.54 H new ATOM 0 HB2 LEU A 81 0.495 -11.296 -10.069 1.00 71.23 H new ATOM 0 HB3 LEU A 81 1.338 -10.878 -11.548 1.00 71.23 H new ATOM 0 HG LEU A 81 -0.681 -9.067 -10.199 1.00 2.24 H new ATOM 0 HD11 LEU A 81 1.262 -7.795 -9.384 1.00 34.43 H new ATOM 0 HD12 LEU A 81 1.227 -9.445 -8.719 1.00 34.43 H new ATOM 0 HD13 LEU A 81 2.347 -9.043 -10.042 1.00 34.43 H new ATOM 0 HD21 LEU A 81 0.357 -7.329 -11.612 1.00 55.23 H new ATOM 0 HD22 LEU A 81 1.411 -8.563 -12.343 1.00 55.23 H new ATOM 0 HD23 LEU A 81 -0.349 -8.638 -12.590 1.00 55.23 H new ATOM 1295 N ASN A 82 -0.763 -13.679 -11.568 1.00 64.42 N ATOM 1296 CA ASN A 82 -0.650 -15.057 -12.040 1.00 70.01 C ATOM 1297 C ASN A 82 -1.437 -15.234 -13.327 1.00 14.14 C ATOM 1298 O ASN A 82 -0.980 -15.887 -14.271 1.00 72.44 O ATOM 1299 CB ASN A 82 -1.172 -16.045 -10.988 1.00 43.11 C ATOM 1300 CG ASN A 82 -0.111 -16.484 -10.001 1.00 2.33 C ATOM 1301 OD1 ASN A 82 0.094 -15.859 -8.962 1.00 0.05 O ATOM 1302 ND2 ASN A 82 0.559 -17.582 -10.310 1.00 2.30 N ATOM 0 H ASN A 82 -1.105 -13.587 -10.611 1.00 64.42 H new ATOM 0 HA ASN A 82 0.405 -15.263 -12.222 1.00 70.01 H new ATOM 0 HB2 ASN A 82 -1.996 -15.584 -10.444 1.00 43.11 H new ATOM 0 HB3 ASN A 82 -1.575 -16.923 -11.493 1.00 43.11 H new ATOM 0 HD21 ASN A 82 1.275 -17.938 -9.676 1.00 2.30 H new ATOM 0 HD22 ASN A 82 0.360 -18.073 -11.182 1.00 2.30 H new ATOM 1309 N PHE A 83 -2.620 -14.640 -13.350 1.00 4.40 N ATOM 1310 CA PHE A 83 -3.501 -14.711 -14.504 1.00 2.03 C ATOM 1311 C PHE A 83 -3.033 -13.784 -15.635 1.00 15.05 C ATOM 1312 O PHE A 83 -3.011 -14.184 -16.799 1.00 62.23 O ATOM 1313 CB PHE A 83 -4.926 -14.346 -14.075 1.00 4.14 C ATOM 1314 CG PHE A 83 -5.937 -14.400 -15.186 1.00 74.20 C ATOM 1315 CD1 PHE A 83 -6.469 -15.612 -15.595 1.00 3.14 C ATOM 1316 CD2 PHE A 83 -6.357 -13.240 -15.815 1.00 1.44 C ATOM 1317 CE1 PHE A 83 -7.400 -15.666 -16.612 1.00 62.35 C ATOM 1318 CE2 PHE A 83 -7.288 -13.288 -16.835 1.00 52.33 C ATOM 1319 CZ PHE A 83 -7.809 -14.502 -17.233 1.00 31.44 C ATOM 0 H PHE A 83 -2.995 -14.097 -12.572 1.00 4.40 H new ATOM 0 HA PHE A 83 -3.479 -15.730 -14.890 1.00 2.03 H new ATOM 0 HB2 PHE A 83 -5.239 -15.024 -13.281 1.00 4.14 H new ATOM 0 HB3 PHE A 83 -4.920 -13.341 -13.653 1.00 4.14 H new ATOM 0 HD1 PHE A 83 -6.152 -16.525 -15.113 1.00 3.14 H new ATOM 0 HD2 PHE A 83 -5.953 -12.288 -15.505 1.00 1.44 H new ATOM 0 HE1 PHE A 83 -7.808 -16.617 -16.922 1.00 62.35 H new ATOM 0 HE2 PHE A 83 -7.607 -12.377 -17.320 1.00 52.33 H new ATOM 0 HZ PHE A 83 -8.537 -14.542 -18.030 1.00 31.44 H new ATOM 1329 N TYR A 84 -2.647 -12.560 -15.280 1.00 5.35 N ATOM 1330 CA TYR A 84 -2.353 -11.516 -16.267 1.00 25.12 C ATOM 1331 C TYR A 84 -1.063 -11.755 -17.048 1.00 12.12 C ATOM 1332 O TYR A 84 -1.069 -12.408 -18.091 1.00 52.23 O ATOM 1333 CB TYR A 84 -2.288 -10.138 -15.604 1.00 2.04 C ATOM 1334 CG TYR A 84 -3.627 -9.450 -15.475 1.00 32.23 C ATOM 1335 CD1 TYR A 84 -4.751 -9.955 -16.115 1.00 25.42 C ATOM 1336 CD2 TYR A 84 -3.762 -8.288 -14.729 1.00 45.24 C ATOM 1337 CE1 TYR A 84 -5.972 -9.323 -16.016 1.00 43.22 C ATOM 1338 CE2 TYR A 84 -4.985 -7.649 -14.623 1.00 55.15 C ATOM 1339 CZ TYR A 84 -6.085 -8.172 -15.271 1.00 12.21 C ATOM 1340 OH TYR A 84 -7.306 -7.545 -15.173 1.00 2.42 O ATOM 0 H TYR A 84 -2.529 -12.263 -14.311 1.00 5.35 H new ATOM 0 HA TYR A 84 -3.177 -11.554 -16.980 1.00 25.12 H new ATOM 0 HB2 TYR A 84 -1.850 -10.245 -14.612 1.00 2.04 H new ATOM 0 HB3 TYR A 84 -1.618 -9.500 -16.181 1.00 2.04 H new ATOM 0 HD1 TYR A 84 -4.667 -10.859 -16.701 1.00 25.42 H new ATOM 0 HD2 TYR A 84 -2.901 -7.876 -14.224 1.00 45.24 H new ATOM 0 HE1 TYR A 84 -6.836 -9.729 -16.521 1.00 43.22 H new ATOM 0 HE2 TYR A 84 -5.078 -6.747 -14.037 1.00 55.15 H new ATOM 0 HH TYR A 84 -7.220 -6.747 -14.611 1.00 2.42 H new ATOM 1350 N ASN A 85 0.037 -11.212 -16.552 1.00 53.24 N ATOM 1351 CA ASN A 85 1.284 -11.213 -17.299 1.00 43.23 C ATOM 1352 C ASN A 85 2.357 -12.020 -16.584 1.00 73.33 C ATOM 1353 O ASN A 85 2.597 -11.851 -15.387 1.00 11.33 O ATOM 1354 CB ASN A 85 1.772 -9.776 -17.563 1.00 44.03 C ATOM 1355 CG ASN A 85 1.984 -8.951 -16.299 1.00 62.52 C ATOM 1356 OD1 ASN A 85 1.306 -9.134 -15.287 1.00 24.55 O ATOM 1357 ND2 ASN A 85 2.923 -8.017 -16.352 1.00 74.42 N ATOM 0 H ASN A 85 0.092 -10.766 -15.637 1.00 53.24 H new ATOM 0 HA ASN A 85 1.090 -11.690 -18.260 1.00 43.23 H new ATOM 0 HB2 ASN A 85 2.709 -9.818 -18.119 1.00 44.03 H new ATOM 0 HB3 ASN A 85 1.047 -9.268 -18.199 1.00 44.03 H new ATOM 0 HD21 ASN A 85 3.101 -7.426 -15.540 1.00 74.42 H new ATOM 0 HD22 ASN A 85 3.468 -7.890 -17.205 1.00 74.42 H new ATOM 1364 N LYS A 86 3.004 -12.896 -17.333 1.00 22.42 N ATOM 1365 CA LYS A 86 4.025 -13.767 -16.777 1.00 11.11 C ATOM 1366 C LYS A 86 5.373 -13.071 -16.776 1.00 65.55 C ATOM 1367 O LYS A 86 6.257 -13.417 -16.003 1.00 53.13 O ATOM 1368 CB LYS A 86 4.121 -15.059 -17.579 1.00 65.01 C ATOM 1369 CG LYS A 86 3.963 -16.290 -16.721 1.00 61.14 C ATOM 1370 CD LYS A 86 2.514 -16.484 -16.310 1.00 35.03 C ATOM 1371 CE LYS A 86 2.346 -17.616 -15.308 1.00 1.35 C ATOM 1372 NZ LYS A 86 0.912 -17.863 -14.990 1.00 41.43 N ATOM 0 H LYS A 86 2.840 -13.023 -18.332 1.00 22.42 H new ATOM 0 HA LYS A 86 3.744 -14.005 -15.751 1.00 11.11 H new ATOM 0 HB2 LYS A 86 3.353 -15.059 -18.353 1.00 65.01 H new ATOM 0 HB3 LYS A 86 5.085 -15.096 -18.086 1.00 65.01 H new ATOM 0 HG2 LYS A 86 4.310 -17.166 -17.269 1.00 61.14 H new ATOM 0 HG3 LYS A 86 4.588 -16.201 -15.832 1.00 61.14 H new ATOM 0 HD2 LYS A 86 2.134 -15.559 -15.877 1.00 35.03 H new ATOM 0 HD3 LYS A 86 1.912 -16.692 -17.195 1.00 35.03 H new ATOM 0 HE2 LYS A 86 2.792 -18.526 -15.709 1.00 1.35 H new ATOM 0 HE3 LYS A 86 2.885 -17.374 -14.392 1.00 1.35 H new ATOM 0 HZ1 LYS A 86 0.843 -18.518 -14.185 1.00 41.43 H new ATOM 0 HZ2 LYS A 86 0.451 -16.964 -14.745 1.00 41.43 H new ATOM 0 HZ3 LYS A 86 0.440 -18.280 -15.818 1.00 41.43 H new ATOM 1386 N ASP A 87 5.501 -12.097 -17.655 1.00 24.11 N ATOM 1387 CA ASP A 87 6.736 -11.325 -17.826 1.00 20.15 C ATOM 1388 C ASP A 87 7.400 -10.991 -16.495 1.00 11.32 C ATOM 1389 O ASP A 87 8.558 -11.340 -16.264 1.00 21.14 O ATOM 1390 CB ASP A 87 6.445 -10.027 -18.582 1.00 60.14 C ATOM 1391 CG ASP A 87 6.009 -10.269 -20.010 1.00 32.52 C ATOM 1392 OD1 ASP A 87 4.859 -10.704 -20.219 1.00 24.53 O ATOM 1393 OD2 ASP A 87 6.818 -10.036 -20.930 1.00 24.52 O ATOM 0 H ASP A 87 4.749 -11.809 -18.281 1.00 24.11 H new ATOM 0 HA ASP A 87 7.424 -11.948 -18.397 1.00 20.15 H new ATOM 0 HB2 ASP A 87 5.667 -9.473 -18.058 1.00 60.14 H new ATOM 0 HB3 ASP A 87 7.338 -9.402 -18.580 1.00 60.14 H new ATOM 1398 N MET A 88 6.658 -10.333 -15.618 1.00 62.22 N ATOM 1399 CA MET A 88 7.199 -9.895 -14.338 1.00 65.22 C ATOM 1400 C MET A 88 7.086 -10.992 -13.279 1.00 64.11 C ATOM 1401 O MET A 88 7.995 -11.181 -12.475 1.00 11.13 O ATOM 1402 CB MET A 88 6.478 -8.616 -13.884 1.00 31.42 C ATOM 1403 CG MET A 88 6.929 -8.073 -12.532 1.00 53.40 C ATOM 1404 SD MET A 88 6.151 -8.911 -11.134 1.00 14.12 S ATOM 1405 CE MET A 88 4.417 -8.626 -11.492 1.00 21.31 C ATOM 0 H MET A 88 5.679 -10.090 -15.768 1.00 62.22 H new ATOM 0 HA MET A 88 8.260 -9.679 -14.465 1.00 65.22 H new ATOM 0 HB2 MET A 88 6.628 -7.844 -14.638 1.00 31.42 H new ATOM 0 HB3 MET A 88 5.407 -8.815 -13.841 1.00 31.42 H new ATOM 0 HG2 MET A 88 8.011 -8.172 -12.450 1.00 53.40 H new ATOM 0 HG3 MET A 88 6.702 -7.008 -12.481 1.00 53.40 H new ATOM 0 HE1 MET A 88 3.942 -8.149 -10.634 1.00 21.31 H new ATOM 0 HE2 MET A 88 4.327 -7.977 -12.363 1.00 21.31 H new ATOM 0 HE3 MET A 88 3.926 -9.578 -11.696 1.00 21.31 H new ATOM 1415 N TYR A 89 5.987 -11.730 -13.293 1.00 0.13 N ATOM 1416 CA TYR A 89 5.729 -12.710 -12.256 1.00 2.40 C ATOM 1417 C TYR A 89 6.632 -13.937 -12.389 1.00 51.13 C ATOM 1418 O TYR A 89 7.148 -14.446 -11.398 1.00 21.25 O ATOM 1419 CB TYR A 89 4.256 -13.126 -12.296 1.00 71.31 C ATOM 1420 CG TYR A 89 3.970 -14.366 -11.493 1.00 22.24 C ATOM 1421 CD1 TYR A 89 3.830 -14.310 -10.114 1.00 32.34 C ATOM 1422 CD2 TYR A 89 3.869 -15.595 -12.120 1.00 61.20 C ATOM 1423 CE1 TYR A 89 3.591 -15.454 -9.379 1.00 24.31 C ATOM 1424 CE2 TYR A 89 3.633 -16.745 -11.395 1.00 24.35 C ATOM 1425 CZ TYR A 89 3.495 -16.670 -10.024 1.00 34.23 C ATOM 1426 OH TYR A 89 3.263 -17.815 -9.296 1.00 1.14 O ATOM 0 H TYR A 89 5.263 -11.668 -14.009 1.00 0.13 H new ATOM 0 HA TYR A 89 5.954 -12.248 -11.295 1.00 2.40 H new ATOM 0 HB2 TYR A 89 3.643 -12.307 -11.919 1.00 71.31 H new ATOM 0 HB3 TYR A 89 3.960 -13.295 -13.331 1.00 71.31 H new ATOM 0 HD1 TYR A 89 3.909 -13.359 -9.609 1.00 32.34 H new ATOM 0 HD2 TYR A 89 3.976 -15.655 -13.193 1.00 61.20 H new ATOM 0 HE1 TYR A 89 3.480 -15.398 -8.306 1.00 24.31 H new ATOM 0 HE2 TYR A 89 3.557 -17.698 -11.897 1.00 24.35 H new ATOM 0 HH TYR A 89 3.606 -18.590 -9.787 1.00 1.14 H new ATOM 1436 N ASN A 90 6.840 -14.390 -13.616 1.00 43.24 N ATOM 1437 CA ASN A 90 7.513 -15.663 -13.866 1.00 12.41 C ATOM 1438 C ASN A 90 9.008 -15.573 -13.576 1.00 55.12 C ATOM 1439 O ASN A 90 9.661 -16.583 -13.309 1.00 64.21 O ATOM 1440 CB ASN A 90 7.268 -16.107 -15.310 1.00 63.04 C ATOM 1441 CG ASN A 90 7.585 -17.567 -15.553 1.00 30.12 C ATOM 1442 OD1 ASN A 90 7.581 -18.384 -14.632 1.00 53.44 O ATOM 1443 ND2 ASN A 90 7.824 -17.914 -16.807 1.00 25.01 N ATOM 0 H ASN A 90 6.552 -13.895 -14.460 1.00 43.24 H new ATOM 0 HA ASN A 90 7.095 -16.407 -13.188 1.00 12.41 H new ATOM 0 HB2 ASN A 90 6.225 -15.922 -15.567 1.00 63.04 H new ATOM 0 HB3 ASN A 90 7.874 -15.495 -15.978 1.00 63.04 H new ATOM 0 HD21 ASN A 90 8.014 -18.889 -17.039 1.00 25.01 H new ATOM 0 HD22 ASN A 90 7.818 -17.207 -17.542 1.00 25.01 H new ATOM 1450 N GLN A 91 9.552 -14.365 -13.605 1.00 15.21 N ATOM 1451 CA GLN A 91 10.956 -14.167 -13.271 1.00 62.03 C ATOM 1452 C GLN A 91 11.131 -14.170 -11.758 1.00 44.51 C ATOM 1453 O GLN A 91 12.211 -14.453 -11.240 1.00 42.11 O ATOM 1454 CB GLN A 91 11.483 -12.861 -13.867 1.00 12.34 C ATOM 1455 CG GLN A 91 10.812 -11.611 -13.331 1.00 63.51 C ATOM 1456 CD GLN A 91 11.366 -10.337 -13.941 1.00 44.34 C ATOM 1457 OE1 GLN A 91 11.359 -9.281 -13.308 1.00 62.44 O ATOM 1458 NE2 GLN A 91 11.859 -10.422 -15.170 1.00 54.04 N ATOM 0 H GLN A 91 9.048 -13.514 -13.854 1.00 15.21 H new ATOM 0 HA GLN A 91 11.533 -14.986 -13.699 1.00 62.03 H new ATOM 0 HB2 GLN A 91 12.554 -12.794 -13.675 1.00 12.34 H new ATOM 0 HB3 GLN A 91 11.355 -12.892 -14.949 1.00 12.34 H new ATOM 0 HG2 GLN A 91 9.741 -11.666 -13.528 1.00 63.51 H new ATOM 0 HG3 GLN A 91 10.936 -11.574 -12.249 1.00 63.51 H new ATOM 0 HE21 GLN A 91 11.848 -11.315 -15.663 1.00 54.04 H new ATOM 0 HE22 GLN A 91 12.249 -9.595 -15.621 1.00 54.04 H new ATOM 1467 N LEU A 92 10.049 -13.861 -11.061 1.00 10.13 N ATOM 1468 CA LEU A 92 10.042 -13.866 -9.606 1.00 1.20 C ATOM 1469 C LEU A 92 9.417 -15.151 -9.078 1.00 41.42 C ATOM 1470 O LEU A 92 9.248 -15.330 -7.871 1.00 31.01 O ATOM 1471 CB LEU A 92 9.276 -12.653 -9.076 1.00 43.44 C ATOM 1472 CG LEU A 92 9.848 -11.294 -9.486 1.00 2.45 C ATOM 1473 CD1 LEU A 92 8.998 -10.166 -8.922 1.00 33.54 C ATOM 1474 CD2 LEU A 92 11.291 -11.158 -9.020 1.00 34.14 C ATOM 0 H LEU A 92 9.157 -13.602 -11.483 1.00 10.13 H new ATOM 0 HA LEU A 92 11.073 -13.813 -9.257 1.00 1.20 H new ATOM 0 HB2 LEU A 92 8.244 -12.715 -9.422 1.00 43.44 H new ATOM 0 HB3 LEU A 92 9.251 -12.706 -7.988 1.00 43.44 H new ATOM 0 HG LEU A 92 9.831 -11.228 -10.574 1.00 2.45 H new ATOM 0 HD11 LEU A 92 9.420 -9.207 -9.223 1.00 33.54 H new ATOM 0 HD12 LEU A 92 7.981 -10.251 -9.304 1.00 33.54 H new ATOM 0 HD13 LEU A 92 8.984 -10.230 -7.834 1.00 33.54 H new ATOM 0 HD21 LEU A 92 11.680 -10.185 -9.321 1.00 34.14 H new ATOM 0 HD22 LEU A 92 11.333 -11.246 -7.934 1.00 34.14 H new ATOM 0 HD23 LEU A 92 11.895 -11.946 -9.471 1.00 34.14 H new ATOM 1486 N GLU A 93 9.065 -16.036 -9.999 1.00 43.24 N ATOM 1487 CA GLU A 93 8.493 -17.328 -9.654 1.00 14.33 C ATOM 1488 C GLU A 93 9.572 -18.251 -9.103 1.00 1.41 C ATOM 1489 O GLU A 93 10.724 -18.209 -9.542 1.00 40.43 O ATOM 1490 CB GLU A 93 7.822 -17.958 -10.885 1.00 74.24 C ATOM 1491 CG GLU A 93 7.277 -19.363 -10.655 1.00 52.42 C ATOM 1492 CD GLU A 93 6.159 -19.409 -9.632 1.00 51.23 C ATOM 1493 OE1 GLU A 93 6.437 -19.234 -8.429 1.00 61.04 O ATOM 1494 OE2 GLU A 93 4.996 -19.643 -10.025 1.00 1.21 O ATOM 0 H GLU A 93 9.167 -15.879 -11.002 1.00 43.24 H new ATOM 0 HA GLU A 93 7.736 -17.183 -8.884 1.00 14.33 H new ATOM 0 HB2 GLU A 93 7.005 -17.313 -11.208 1.00 74.24 H new ATOM 0 HB3 GLU A 93 8.544 -17.991 -11.701 1.00 74.24 H new ATOM 0 HG2 GLU A 93 6.912 -19.764 -11.601 1.00 52.42 H new ATOM 0 HG3 GLU A 93 8.089 -20.012 -10.326 1.00 52.42 H new ATOM 1501 N HIS A 94 9.196 -19.081 -8.146 1.00 32.13 N ATOM 1502 CA HIS A 94 10.137 -19.997 -7.522 1.00 73.15 C ATOM 1503 C HIS A 94 10.163 -21.312 -8.286 1.00 60.25 C ATOM 1504 O HIS A 94 9.115 -21.864 -8.623 1.00 60.03 O ATOM 1505 CB HIS A 94 9.765 -20.253 -6.056 1.00 71.14 C ATOM 1506 CG HIS A 94 9.875 -19.043 -5.179 1.00 3.43 C ATOM 1507 ND1 HIS A 94 10.907 -18.851 -4.285 1.00 63.12 N ATOM 1508 CD2 HIS A 94 9.068 -17.964 -5.053 1.00 3.24 C ATOM 1509 CE1 HIS A 94 10.729 -17.709 -3.649 1.00 31.54 C ATOM 1510 NE2 HIS A 94 9.622 -17.151 -4.096 1.00 24.23 N ATOM 0 H HIS A 94 8.245 -19.140 -7.783 1.00 32.13 H new ATOM 0 HA HIS A 94 11.127 -19.542 -7.549 1.00 73.15 H new ATOM 0 HB2 HIS A 94 8.743 -20.630 -6.012 1.00 71.14 H new ATOM 0 HB3 HIS A 94 10.411 -21.036 -5.659 1.00 71.14 H new ATOM 0 HD2 HIS A 94 8.158 -17.777 -5.603 1.00 3.24 H new ATOM 0 HE1 HIS A 94 11.380 -17.301 -2.890 1.00 31.54 H new ATOM 0 HE2 HIS A 94 9.239 -16.259 -3.782 1.00 24.23 H new ATOM 1519 N HIS A 95 11.358 -21.809 -8.565 1.00 11.53 N ATOM 1520 CA HIS A 95 11.502 -23.072 -9.273 1.00 3.34 C ATOM 1521 C HIS A 95 11.458 -24.227 -8.288 1.00 10.44 C ATOM 1522 O HIS A 95 11.348 -25.392 -8.675 1.00 72.13 O ATOM 1523 CB HIS A 95 12.783 -23.087 -10.104 1.00 62.32 C ATOM 1524 CG HIS A 95 12.725 -22.121 -11.244 1.00 55.55 C ATOM 1525 ND1 HIS A 95 13.603 -21.074 -11.395 1.00 34.44 N ATOM 1526 CD2 HIS A 95 11.860 -22.036 -12.278 1.00 3.53 C ATOM 1527 CE1 HIS A 95 13.277 -20.384 -12.470 1.00 73.43 C ATOM 1528 NE2 HIS A 95 12.221 -20.945 -13.026 1.00 4.24 N ATOM 0 H HIS A 95 12.239 -21.360 -8.314 1.00 11.53 H new ATOM 0 HA HIS A 95 10.668 -23.186 -9.966 1.00 3.34 H new ATOM 0 HB2 HIS A 95 13.632 -22.843 -9.465 1.00 62.32 H new ATOM 0 HB3 HIS A 95 12.953 -24.092 -10.489 1.00 62.32 H new ATOM 0 HD2 HIS A 95 11.036 -22.704 -12.479 1.00 3.53 H new ATOM 0 HE1 HIS A 95 13.789 -19.506 -12.834 1.00 73.43 H new ATOM 0 HE2 HIS A 95 11.751 -20.621 -13.871 1.00 4.24 H new ATOM 1537 N HIS A 96 11.564 -23.887 -7.012 1.00 25.32 N ATOM 1538 CA HIS A 96 11.177 -24.792 -5.943 1.00 32.42 C ATOM 1539 C HIS A 96 9.660 -24.703 -5.820 1.00 73.32 C ATOM 1540 O HIS A 96 9.126 -23.961 -4.993 1.00 11.53 O ATOM 1541 CB HIS A 96 11.868 -24.398 -4.628 1.00 20.24 C ATOM 1542 CG HIS A 96 11.567 -25.302 -3.470 1.00 12.25 C ATOM 1543 ND1 HIS A 96 10.594 -25.027 -2.533 1.00 13.34 N ATOM 1544 CD2 HIS A 96 12.133 -26.470 -3.088 1.00 41.20 C ATOM 1545 CE1 HIS A 96 10.573 -25.987 -1.629 1.00 73.22 C ATOM 1546 NE2 HIS A 96 11.498 -26.877 -1.941 1.00 23.12 N ATOM 0 H HIS A 96 11.917 -22.985 -6.692 1.00 25.32 H new ATOM 0 HA HIS A 96 11.482 -25.815 -6.162 1.00 32.42 H new ATOM 0 HB2 HIS A 96 12.946 -24.383 -4.790 1.00 20.24 H new ATOM 0 HB3 HIS A 96 11.570 -23.383 -4.366 1.00 20.24 H new ATOM 0 HD2 HIS A 96 12.936 -26.987 -3.592 1.00 41.20 H new ATOM 0 HE1 HIS A 96 9.911 -26.037 -0.777 1.00 73.22 H new ATOM 0 HE2 HIS A 96 11.706 -27.727 -1.416 1.00 23.12 H new ATOM 1555 N HIS A 97 8.974 -25.426 -6.689 1.00 11.35 N ATOM 1556 CA HIS A 97 7.564 -25.179 -6.937 1.00 24.55 C ATOM 1557 C HIS A 97 6.718 -26.397 -6.596 1.00 34.34 C ATOM 1558 O HIS A 97 7.194 -27.531 -6.646 1.00 5.04 O ATOM 1559 CB HIS A 97 7.385 -24.809 -8.413 1.00 13.52 C ATOM 1560 CG HIS A 97 6.221 -23.907 -8.699 1.00 21.13 C ATOM 1561 ND1 HIS A 97 5.189 -24.253 -9.540 1.00 13.41 N ATOM 1562 CD2 HIS A 97 5.963 -22.640 -8.292 1.00 11.13 C ATOM 1563 CE1 HIS A 97 4.349 -23.239 -9.646 1.00 45.05 C ATOM 1564 NE2 HIS A 97 4.795 -22.244 -8.899 1.00 34.31 N ATOM 0 H HIS A 97 9.372 -26.190 -7.235 1.00 11.35 H new ATOM 0 HA HIS A 97 7.230 -24.361 -6.299 1.00 24.55 H new ATOM 0 HB2 HIS A 97 8.296 -24.325 -8.765 1.00 13.52 H new ATOM 0 HB3 HIS A 97 7.267 -25.726 -8.991 1.00 13.52 H new ATOM 0 HD2 HIS A 97 6.564 -22.050 -7.616 1.00 11.13 H new ATOM 0 HE1 HIS A 97 3.449 -23.225 -10.243 1.00 45.05 H new ATOM 0 HE2 HIS A 97 4.347 -21.334 -8.791 1.00 34.31 H new ATOM 1573 N HIS A 98 5.466 -26.152 -6.237 1.00 50.10 N ATOM 1574 CA HIS A 98 4.518 -27.228 -5.989 1.00 41.15 C ATOM 1575 C HIS A 98 3.746 -27.523 -7.267 1.00 11.33 C ATOM 1576 O HIS A 98 3.648 -26.665 -8.143 1.00 30.02 O ATOM 1577 CB HIS A 98 3.547 -26.855 -4.862 1.00 74.11 C ATOM 1578 CG HIS A 98 4.185 -26.766 -3.510 1.00 44.04 C ATOM 1579 ND1 HIS A 98 4.025 -27.731 -2.542 1.00 62.05 N ATOM 1580 CD2 HIS A 98 4.982 -25.817 -2.964 1.00 15.33 C ATOM 1581 CE1 HIS A 98 4.698 -27.383 -1.462 1.00 64.33 C ATOM 1582 NE2 HIS A 98 5.287 -26.224 -1.687 1.00 53.43 N ATOM 0 H HIS A 98 5.083 -25.215 -6.111 1.00 50.10 H new ATOM 0 HA HIS A 98 5.069 -28.116 -5.679 1.00 41.15 H new ATOM 0 HB2 HIS A 98 3.085 -25.896 -5.098 1.00 74.11 H new ATOM 0 HB3 HIS A 98 2.747 -27.595 -4.827 1.00 74.11 H new ATOM 0 HD2 HIS A 98 5.316 -24.909 -3.443 1.00 15.33 H new ATOM 0 HE1 HIS A 98 4.757 -27.952 -0.546 1.00 64.33 H new ATOM 0 HE2 HIS A 98 5.871 -25.715 -1.024 1.00 53.43 H new ATOM 1591 N HIS A 99 3.196 -28.724 -7.366 1.00 31.32 N ATOM 1592 CA HIS A 99 2.466 -29.129 -8.567 1.00 10.02 C ATOM 1593 C HIS A 99 1.147 -28.373 -8.676 1.00 34.35 C ATOM 1594 O HIS A 99 0.640 -27.852 -7.678 1.00 32.22 O ATOM 1595 CB HIS A 99 2.195 -30.638 -8.566 1.00 40.50 C ATOM 1596 CG HIS A 99 3.431 -31.478 -8.638 1.00 2.14 C ATOM 1597 ND1 HIS A 99 3.986 -31.908 -9.823 1.00 61.42 N ATOM 1598 CD2 HIS A 99 4.211 -31.983 -7.657 1.00 5.34 C ATOM 1599 CE1 HIS A 99 5.053 -32.639 -9.566 1.00 4.53 C ATOM 1600 NE2 HIS A 99 5.212 -32.697 -8.259 1.00 24.31 N ATOM 0 H HIS A 99 3.238 -29.435 -6.636 1.00 31.32 H new ATOM 0 HA HIS A 99 3.089 -28.886 -9.428 1.00 10.02 H new ATOM 0 HB2 HIS A 99 1.644 -30.897 -7.662 1.00 40.50 H new ATOM 0 HB3 HIS A 99 1.552 -30.882 -9.412 1.00 40.50 H new ATOM 0 HD2 HIS A 99 4.071 -31.848 -6.595 1.00 5.34 H new ATOM 0 HE1 HIS A 99 5.688 -33.110 -10.301 1.00 4.53 H new ATOM 0 HE2 HIS A 99 5.960 -33.193 -7.774 1.00 24.31 H new TER 1609 HIS A 99