USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 31 SER OG : rot -122:sc= 0.773 USER MOD Set 1.2: A 70 ASN : amide:sc= 0.184 K(o=0.96,f=-5.5!) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.0795 K(o=1.3,f=-0.029) USER MOD Set 2.2: A 83 THR OG1 : rot -91:sc= 1.27 USER MOD Single : A 9 MET CE :methyl 180:sc= -1.74 (180deg=-1.74) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00833 USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= 0.495 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -120:sc= 0.968 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= 0.954 (180deg=0.676) USER MOD Single : A 27 SER OG : rot -20:sc= 1.3 USER MOD Single : A 29 ASN : amide:sc= -0.0226 K(o=-0.023,f=-1.6!) USER MOD Single : A 33 SER OG : rot -171:sc= 1.25 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0768 X(o=-0.077,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.0033) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0.804 (180deg=0.756) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.0282 (180deg=-0.176) USER MOD Single : A 84 THR OG1 : rot -110:sc= -0.126 USER MOD Single : A 86 MET CE :methyl 167:sc= -0.276 (180deg=-0.777) USER MOD Single : A 87 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -13.007 -14.405 8.175 1.00 0.33 N ATOM 38 CA VAL A 5 -13.498 -13.548 7.158 1.00 21.21 C ATOM 39 C VAL A 5 -14.965 -13.868 6.894 1.00 5.41 C ATOM 40 O VAL A 5 -15.304 -14.994 6.493 1.00 51.34 O ATOM 41 CB VAL A 5 -12.701 -13.709 5.847 1.00 61.04 C ATOM 42 CG1 VAL A 5 -13.163 -12.695 4.826 1.00 14.21 C ATOM 43 CG2 VAL A 5 -11.204 -13.592 6.082 1.00 33.01 C ATOM 0 HA VAL A 5 -13.387 -12.519 7.500 1.00 21.21 H new ATOM 0 HB VAL A 5 -12.892 -14.710 5.461 1.00 61.04 H new ATOM 0 HG11 VAL A 5 -12.593 -12.820 3.906 1.00 14.21 H new ATOM 0 HG12 VAL A 5 -14.223 -12.844 4.619 1.00 14.21 H new ATOM 0 HG13 VAL A 5 -13.007 -11.689 5.216 1.00 14.21 H new ATOM 0 HG21 VAL A 5 -10.677 -13.711 5.135 1.00 33.01 H new ATOM 0 HG22 VAL A 5 -10.977 -12.613 6.503 1.00 33.01 H new ATOM 0 HG23 VAL A 5 -10.883 -14.369 6.776 1.00 33.01 H new ATOM 53 N PRO A 6 -15.853 -12.912 7.151 1.00 52.33 N ATOM 54 CA PRO A 6 -17.279 -13.084 6.912 1.00 3.33 C ATOM 55 C PRO A 6 -17.638 -12.900 5.438 1.00 24.12 C ATOM 56 O PRO A 6 -16.817 -12.440 4.634 1.00 5.35 O ATOM 57 CB PRO A 6 -17.899 -11.963 7.739 1.00 5.15 C ATOM 58 CG PRO A 6 -16.867 -10.894 7.766 1.00 64.12 C ATOM 59 CD PRO A 6 -15.540 -11.588 7.723 1.00 64.13 C ATOM 0 HA PRO A 6 -17.626 -14.083 7.177 1.00 3.33 H new ATOM 0 HB2 PRO A 6 -18.826 -11.606 7.290 1.00 5.15 H new ATOM 0 HB3 PRO A 6 -18.143 -12.303 8.746 1.00 5.15 H new ATOM 0 HG2 PRO A 6 -16.982 -10.222 6.916 1.00 64.12 H new ATOM 0 HG3 PRO A 6 -16.959 -10.287 8.667 1.00 64.12 H new ATOM 0 HD2 PRO A 6 -14.824 -11.045 7.106 1.00 64.13 H new ATOM 0 HD3 PRO A 6 -15.102 -11.675 8.717 1.00 64.13 H new ATOM 67 N ALA A 7 -18.882 -13.188 5.105 1.00 71.40 N ATOM 68 CA ALA A 7 -19.405 -13.088 3.753 1.00 55.21 C ATOM 69 C ALA A 7 -19.762 -11.636 3.418 1.00 44.20 C ATOM 70 O ALA A 7 -20.652 -11.366 2.618 1.00 12.20 O ATOM 71 CB ALA A 7 -20.630 -13.966 3.635 1.00 45.33 C ATOM 0 H ALA A 7 -19.575 -13.506 5.783 1.00 71.40 H new ATOM 0 HA ALA A 7 -18.644 -13.420 3.047 1.00 55.21 H new ATOM 0 HB1 ALA A 7 -21.030 -13.898 2.623 1.00 45.33 H new ATOM 0 HB2 ALA A 7 -20.359 -15.000 3.849 1.00 45.33 H new ATOM 0 HB3 ALA A 7 -21.385 -13.634 4.347 1.00 45.33 H new ATOM 77 N ASP A 8 -19.048 -10.729 4.012 1.00 35.53 N ATOM 78 CA ASP A 8 -19.246 -9.313 3.793 1.00 53.14 C ATOM 79 C ASP A 8 -17.901 -8.623 3.560 1.00 54.22 C ATOM 80 O ASP A 8 -17.838 -7.509 3.044 1.00 33.04 O ATOM 81 CB ASP A 8 -19.984 -8.700 4.996 1.00 23.11 C ATOM 82 CG ASP A 8 -20.177 -7.196 4.922 1.00 21.53 C ATOM 83 OD1 ASP A 8 -21.096 -6.727 4.220 1.00 65.31 O ATOM 84 OD2 ASP A 8 -19.435 -6.461 5.608 1.00 44.55 O ATOM 0 H ASP A 8 -18.301 -10.945 4.672 1.00 35.53 H new ATOM 0 HA ASP A 8 -19.858 -9.165 2.903 1.00 53.14 H new ATOM 0 HB2 ASP A 8 -20.961 -9.174 5.086 1.00 23.11 H new ATOM 0 HB3 ASP A 8 -19.430 -8.937 5.904 1.00 23.11 H new ATOM 89 N MET A 9 -16.825 -9.321 3.889 1.00 71.54 N ATOM 90 CA MET A 9 -15.479 -8.751 3.788 1.00 73.25 C ATOM 91 C MET A 9 -14.625 -9.594 2.864 1.00 71.24 C ATOM 92 O MET A 9 -14.889 -10.785 2.680 1.00 32.04 O ATOM 93 CB MET A 9 -14.801 -8.709 5.169 1.00 71.12 C ATOM 94 CG MET A 9 -15.501 -7.862 6.220 1.00 65.23 C ATOM 95 SD MET A 9 -15.476 -6.095 5.877 1.00 42.13 S ATOM 96 CE MET A 9 -13.748 -5.714 6.138 1.00 70.34 C ATOM 0 H MET A 9 -16.851 -10.282 4.228 1.00 71.54 H new ATOM 0 HA MET A 9 -15.574 -7.739 3.395 1.00 73.25 H new ATOM 0 HB2 MET A 9 -14.720 -9.729 5.545 1.00 71.12 H new ATOM 0 HB3 MET A 9 -13.785 -8.334 5.044 1.00 71.12 H new ATOM 0 HG2 MET A 9 -16.537 -8.190 6.304 1.00 65.23 H new ATOM 0 HG3 MET A 9 -15.030 -8.040 7.187 1.00 65.23 H new ATOM 0 HE1 MET A 9 -13.579 -4.652 5.962 1.00 70.34 H new ATOM 0 HE2 MET A 9 -13.472 -5.960 7.163 1.00 70.34 H new ATOM 0 HE3 MET A 9 -13.138 -6.298 5.448 1.00 70.34 H new ATOM 106 N ILE A 10 -13.618 -8.990 2.289 1.00 13.44 N ATOM 107 CA ILE A 10 -12.687 -9.701 1.448 1.00 55.24 C ATOM 108 C ILE A 10 -11.258 -9.599 2.002 1.00 43.23 C ATOM 109 O ILE A 10 -10.860 -8.561 2.545 1.00 13.04 O ATOM 110 CB ILE A 10 -12.805 -9.304 -0.083 1.00 41.13 C ATOM 111 CG1 ILE A 10 -12.746 -7.804 -0.341 1.00 65.52 C ATOM 112 CG2 ILE A 10 -14.052 -9.852 -0.708 1.00 3.03 C ATOM 113 CD1 ILE A 10 -11.391 -7.185 -0.255 1.00 41.22 C ATOM 0 H ILE A 10 -13.419 -7.995 2.389 1.00 13.44 H new ATOM 0 HA ILE A 10 -12.961 -10.756 1.476 1.00 55.24 H new ATOM 0 HB ILE A 10 -11.927 -9.754 -0.546 1.00 41.13 H new ATOM 0 HG12 ILE A 10 -13.152 -7.608 -1.333 1.00 65.52 H new ATOM 0 HG13 ILE A 10 -13.399 -7.305 0.375 1.00 65.52 H new ATOM 0 HG21 ILE A 10 -14.094 -9.557 -1.756 1.00 3.03 H new ATOM 0 HG22 ILE A 10 -14.047 -10.940 -0.637 1.00 3.03 H new ATOM 0 HG23 ILE A 10 -14.924 -9.459 -0.186 1.00 3.03 H new ATOM 0 HD11 ILE A 10 -11.466 -6.116 -0.456 1.00 41.22 H new ATOM 0 HD12 ILE A 10 -10.983 -7.339 0.744 1.00 41.22 H new ATOM 0 HD13 ILE A 10 -10.733 -7.647 -0.991 1.00 41.22 H new ATOM 125 N ASN A 11 -10.522 -10.682 1.928 1.00 33.32 N ATOM 126 CA ASN A 11 -9.165 -10.713 2.451 1.00 13.55 C ATOM 127 C ASN A 11 -8.214 -10.322 1.365 1.00 23.14 C ATOM 128 O ASN A 11 -8.031 -11.050 0.391 1.00 55.52 O ATOM 129 CB ASN A 11 -8.840 -12.101 3.006 1.00 1.04 C ATOM 130 CG ASN A 11 -7.425 -12.263 3.577 1.00 42.52 C ATOM 131 OD1 ASN A 11 -6.890 -13.350 3.565 1.00 31.24 O ATOM 132 ND2 ASN A 11 -6.822 -11.212 4.073 1.00 70.51 N ATOM 0 H ASN A 11 -10.835 -11.559 1.511 1.00 33.32 H new ATOM 0 HA ASN A 11 -9.069 -10.003 3.273 1.00 13.55 H new ATOM 0 HB2 ASN A 11 -9.560 -12.339 3.789 1.00 1.04 H new ATOM 0 HB3 ASN A 11 -8.980 -12.834 2.211 1.00 1.04 H new ATOM 0 HD21 ASN A 11 -5.882 -11.298 4.460 1.00 70.51 H new ATOM 0 HD22 ASN A 11 -7.292 -10.307 4.072 1.00 70.51 H new ATOM 139 N LEU A 12 -7.626 -9.180 1.517 1.00 61.10 N ATOM 140 CA LEU A 12 -6.793 -8.638 0.502 1.00 55.33 C ATOM 141 C LEU A 12 -5.372 -8.427 0.977 1.00 70.43 C ATOM 142 O LEU A 12 -5.130 -7.892 2.067 1.00 73.14 O ATOM 143 CB LEU A 12 -7.403 -7.322 0.023 1.00 62.13 C ATOM 144 CG LEU A 12 -6.577 -6.485 -0.936 1.00 41.31 C ATOM 145 CD1 LEU A 12 -6.236 -7.233 -2.202 1.00 11.35 C ATOM 146 CD2 LEU A 12 -7.282 -5.193 -1.236 1.00 71.13 C ATOM 0 H LEU A 12 -7.712 -8.599 2.351 1.00 61.10 H new ATOM 0 HA LEU A 12 -6.739 -9.351 -0.321 1.00 55.33 H new ATOM 0 HB2 LEU A 12 -8.355 -7.546 -0.458 1.00 62.13 H new ATOM 0 HB3 LEU A 12 -7.624 -6.713 0.900 1.00 62.13 H new ATOM 0 HG LEU A 12 -5.629 -6.260 -0.447 1.00 41.31 H new ATOM 0 HD11 LEU A 12 -5.645 -6.592 -2.855 1.00 11.35 H new ATOM 0 HD12 LEU A 12 -5.662 -8.126 -1.954 1.00 11.35 H new ATOM 0 HD13 LEU A 12 -7.155 -7.522 -2.712 1.00 11.35 H new ATOM 0 HD21 LEU A 12 -6.679 -4.601 -1.925 1.00 71.13 H new ATOM 0 HD22 LEU A 12 -8.250 -5.404 -1.690 1.00 71.13 H new ATOM 0 HD23 LEU A 12 -7.428 -4.635 -0.311 1.00 71.13 H new ATOM 158 N ARG A 13 -4.447 -8.862 0.162 1.00 53.51 N ATOM 159 CA ARG A 13 -3.072 -8.634 0.388 1.00 72.25 C ATOM 160 C ARG A 13 -2.581 -7.621 -0.630 1.00 31.10 C ATOM 161 O ARG A 13 -2.662 -7.843 -1.842 1.00 42.22 O ATOM 162 CB ARG A 13 -2.305 -9.937 0.245 1.00 30.11 C ATOM 163 CG ARG A 13 -0.847 -9.827 0.618 1.00 62.53 C ATOM 164 CD ARG A 13 -0.200 -11.173 0.574 1.00 44.13 C ATOM 165 NE ARG A 13 1.192 -11.131 1.022 1.00 54.42 N ATOM 166 CZ ARG A 13 2.117 -12.058 0.757 1.00 3.52 C ATOM 167 NH1 ARG A 13 1.820 -13.113 0.012 1.00 44.12 N ATOM 168 NH2 ARG A 13 3.342 -11.920 1.238 1.00 15.05 N ATOM 0 H ARG A 13 -4.647 -9.391 -0.687 1.00 53.51 H new ATOM 0 HA ARG A 13 -2.914 -8.250 1.396 1.00 72.25 H new ATOM 0 HB2 ARG A 13 -2.775 -10.695 0.871 1.00 30.11 H new ATOM 0 HB3 ARG A 13 -2.382 -10.282 -0.786 1.00 30.11 H new ATOM 0 HG2 ARG A 13 -0.339 -9.149 -0.068 1.00 62.53 H new ATOM 0 HG3 ARG A 13 -0.751 -9.402 1.617 1.00 62.53 H new ATOM 0 HD2 ARG A 13 -0.761 -11.865 1.202 1.00 44.13 H new ATOM 0 HD3 ARG A 13 -0.241 -11.561 -0.444 1.00 44.13 H new ATOM 0 HE ARG A 13 1.480 -10.329 1.582 1.00 54.42 H new ATOM 0 HH11 ARG A 13 0.878 -13.223 -0.365 1.00 44.12 H new ATOM 0 HH12 ARG A 13 2.533 -13.815 -0.185 1.00 44.12 H new ATOM 0 HH21 ARG A 13 3.577 -11.108 1.809 1.00 15.05 H new ATOM 0 HH22 ARG A 13 4.051 -12.626 1.038 1.00 15.05 H new ATOM 182 N LEU A 14 -2.075 -6.548 -0.131 1.00 2.13 N ATOM 183 CA LEU A 14 -1.571 -5.442 -0.931 1.00 43.25 C ATOM 184 C LEU A 14 -0.065 -5.541 -1.027 1.00 4.45 C ATOM 185 O LEU A 14 0.627 -5.607 0.006 1.00 71.23 O ATOM 186 CB LEU A 14 -1.954 -4.054 -0.301 1.00 54.52 C ATOM 187 CG LEU A 14 -3.444 -3.674 -0.204 1.00 72.34 C ATOM 188 CD1 LEU A 14 -4.097 -3.610 -1.565 1.00 32.43 C ATOM 189 CD2 LEU A 14 -4.221 -4.583 0.720 1.00 22.04 C ATOM 0 H LEU A 14 -1.989 -6.393 0.873 1.00 2.13 H new ATOM 0 HA LEU A 14 -2.024 -5.506 -1.921 1.00 43.25 H new ATOM 0 HB2 LEU A 14 -1.538 -4.021 0.706 1.00 54.52 H new ATOM 0 HB3 LEU A 14 -1.452 -3.278 -0.879 1.00 54.52 H new ATOM 0 HG LEU A 14 -3.470 -2.676 0.233 1.00 72.34 H new ATOM 0 HD11 LEU A 14 -5.147 -3.339 -1.452 1.00 32.43 H new ATOM 0 HD12 LEU A 14 -3.592 -2.861 -2.176 1.00 32.43 H new ATOM 0 HD13 LEU A 14 -4.023 -4.583 -2.050 1.00 32.43 H new ATOM 0 HD21 LEU A 14 -5.264 -4.267 0.749 1.00 22.04 H new ATOM 0 HD22 LEU A 14 -4.162 -5.609 0.356 1.00 22.04 H new ATOM 0 HD23 LEU A 14 -3.798 -4.530 1.723 1.00 22.04 H new ATOM 201 N ILE A 15 0.456 -5.584 -2.229 1.00 42.41 N ATOM 202 CA ILE A 15 1.873 -5.614 -2.387 1.00 0.42 C ATOM 203 C ILE A 15 2.340 -4.250 -2.834 1.00 52.32 C ATOM 204 O ILE A 15 1.791 -3.671 -3.789 1.00 74.42 O ATOM 205 CB ILE A 15 2.347 -6.681 -3.402 1.00 64.10 C ATOM 206 CG1 ILE A 15 1.746 -8.060 -3.070 1.00 62.53 C ATOM 207 CG2 ILE A 15 3.869 -6.752 -3.371 1.00 45.10 C ATOM 208 CD1 ILE A 15 2.211 -9.172 -3.994 1.00 24.52 C ATOM 0 H ILE A 15 -0.080 -5.599 -3.097 1.00 42.41 H new ATOM 0 HA ILE A 15 2.306 -5.883 -1.423 1.00 0.42 H new ATOM 0 HB ILE A 15 2.009 -6.399 -4.399 1.00 64.10 H new ATOM 0 HG12 ILE A 15 2.005 -8.321 -2.044 1.00 62.53 H new ATOM 0 HG13 ILE A 15 0.659 -7.993 -3.117 1.00 62.53 H new ATOM 0 HG21 ILE A 15 4.213 -7.502 -4.084 1.00 45.10 H new ATOM 0 HG22 ILE A 15 4.284 -5.780 -3.638 1.00 45.10 H new ATOM 0 HG23 ILE A 15 4.200 -7.025 -2.369 1.00 45.10 H new ATOM 0 HD11 ILE A 15 1.745 -10.111 -3.696 1.00 24.52 H new ATOM 0 HD12 ILE A 15 1.928 -8.935 -5.020 1.00 24.52 H new ATOM 0 HD13 ILE A 15 3.295 -9.269 -3.930 1.00 24.52 H new ATOM 220 N LEU A 16 3.318 -3.732 -2.146 1.00 64.33 N ATOM 221 CA LEU A 16 3.863 -2.435 -2.461 1.00 74.51 C ATOM 222 C LEU A 16 4.922 -2.560 -3.561 1.00 25.33 C ATOM 223 O LEU A 16 5.403 -3.666 -3.852 1.00 55.15 O ATOM 224 CB LEU A 16 4.469 -1.795 -1.204 1.00 44.11 C ATOM 225 CG LEU A 16 3.520 -1.605 -0.009 1.00 71.22 C ATOM 226 CD1 LEU A 16 4.257 -0.987 1.170 1.00 33.22 C ATOM 227 CD2 LEU A 16 2.318 -0.753 -0.393 1.00 54.22 C ATOM 0 H LEU A 16 3.762 -4.193 -1.352 1.00 64.33 H new ATOM 0 HA LEU A 16 3.059 -1.794 -2.824 1.00 74.51 H new ATOM 0 HB2 LEU A 16 5.309 -2.409 -0.879 1.00 44.11 H new ATOM 0 HB3 LEU A 16 4.873 -0.820 -1.478 1.00 44.11 H new ATOM 0 HG LEU A 16 3.156 -2.588 0.288 1.00 71.22 H new ATOM 0 HD11 LEU A 16 3.567 -0.861 2.005 1.00 33.22 H new ATOM 0 HD12 LEU A 16 5.075 -1.641 1.471 1.00 33.22 H new ATOM 0 HD13 LEU A 16 4.657 -0.015 0.880 1.00 33.22 H new ATOM 0 HD21 LEU A 16 1.664 -0.635 0.471 1.00 54.22 H new ATOM 0 HD22 LEU A 16 2.659 0.227 -0.726 1.00 54.22 H new ATOM 0 HD23 LEU A 16 1.769 -1.240 -1.199 1.00 54.22 H new ATOM 239 N VAL A 17 5.304 -1.431 -4.150 1.00 64.12 N ATOM 240 CA VAL A 17 6.311 -1.404 -5.226 1.00 4.43 C ATOM 241 C VAL A 17 7.693 -1.808 -4.666 1.00 33.40 C ATOM 242 O VAL A 17 8.585 -2.249 -5.395 1.00 54.21 O ATOM 243 CB VAL A 17 6.389 0.009 -5.896 1.00 33.23 C ATOM 244 CG1 VAL A 17 7.394 0.037 -7.048 1.00 74.43 C ATOM 245 CG2 VAL A 17 5.018 0.446 -6.391 1.00 25.22 C ATOM 0 H VAL A 17 4.933 -0.513 -3.904 1.00 64.12 H new ATOM 0 HA VAL A 17 6.011 -2.120 -5.991 1.00 4.43 H new ATOM 0 HB VAL A 17 6.733 0.708 -5.134 1.00 33.23 H new ATOM 0 HG11 VAL A 17 7.418 1.035 -7.486 1.00 74.43 H new ATOM 0 HG12 VAL A 17 8.385 -0.218 -6.673 1.00 74.43 H new ATOM 0 HG13 VAL A 17 7.097 -0.686 -7.808 1.00 74.43 H new ATOM 0 HG21 VAL A 17 5.095 1.430 -6.853 1.00 25.22 H new ATOM 0 HG22 VAL A 17 4.650 -0.272 -7.124 1.00 25.22 H new ATOM 0 HG23 VAL A 17 4.326 0.493 -5.550 1.00 25.22 H new ATOM 255 N SER A 18 7.829 -1.706 -3.358 1.00 31.13 N ATOM 256 CA SER A 18 9.047 -2.047 -2.664 1.00 73.20 C ATOM 257 C SER A 18 9.215 -3.559 -2.547 1.00 54.13 C ATOM 258 O SER A 18 10.278 -4.050 -2.157 1.00 11.31 O ATOM 259 CB SER A 18 8.983 -1.445 -1.272 1.00 3.12 C ATOM 260 OG SER A 18 7.757 -1.793 -0.636 1.00 74.30 O ATOM 0 H SER A 18 7.084 -1.379 -2.743 1.00 31.13 H new ATOM 0 HA SER A 18 9.896 -1.656 -3.225 1.00 73.20 H new ATOM 0 HB2 SER A 18 9.823 -1.801 -0.676 1.00 3.12 H new ATOM 0 HB3 SER A 18 9.073 -0.360 -1.333 1.00 3.12 H new ATOM 0 HG SER A 18 7.731 -1.399 0.261 1.00 74.30 H new ATOM 266 N GLY A 19 8.167 -4.287 -2.879 1.00 54.20 N ATOM 267 CA GLY A 19 8.195 -5.713 -2.747 1.00 12.34 C ATOM 268 C GLY A 19 7.725 -6.130 -1.381 1.00 4.22 C ATOM 269 O GLY A 19 7.706 -7.320 -1.052 1.00 73.13 O ATOM 0 H GLY A 19 7.292 -3.907 -3.240 1.00 54.20 H new ATOM 0 HA2 GLY A 19 7.561 -6.166 -3.509 1.00 12.34 H new ATOM 0 HA3 GLY A 19 9.208 -6.079 -2.916 1.00 12.34 H new ATOM 273 N LYS A 20 7.328 -5.146 -0.579 1.00 1.22 N ATOM 274 CA LYS A 20 6.851 -5.403 0.754 1.00 1.42 C ATOM 275 C LYS A 20 5.388 -5.700 0.719 1.00 53.32 C ATOM 276 O LYS A 20 4.617 -5.005 0.047 1.00 15.32 O ATOM 277 CB LYS A 20 7.179 -4.257 1.747 1.00 1.43 C ATOM 278 CG LYS A 20 8.637 -4.239 2.237 1.00 73.45 C ATOM 279 CD LYS A 20 9.614 -4.171 1.096 1.00 75.10 C ATOM 280 CE LYS A 20 11.045 -4.245 1.546 1.00 3.41 C ATOM 281 NZ LYS A 20 11.956 -4.282 0.382 1.00 61.41 N ATOM 0 H LYS A 20 7.332 -4.161 -0.842 1.00 1.22 H new ATOM 0 HA LYS A 20 7.382 -6.277 1.131 1.00 1.42 H new ATOM 0 HB2 LYS A 20 6.958 -3.303 1.268 1.00 1.43 H new ATOM 0 HB3 LYS A 20 6.519 -4.341 2.611 1.00 1.43 H new ATOM 0 HG2 LYS A 20 8.788 -3.383 2.895 1.00 73.45 H new ATOM 0 HG3 LYS A 20 8.832 -5.134 2.828 1.00 73.45 H new ATOM 0 HD2 LYS A 20 9.414 -4.989 0.404 1.00 75.10 H new ATOM 0 HD3 LYS A 20 9.459 -3.243 0.546 1.00 75.10 H new ATOM 0 HE2 LYS A 20 11.280 -3.384 2.171 1.00 3.41 H new ATOM 0 HE3 LYS A 20 11.193 -5.134 2.159 1.00 3.41 H new ATOM 0 HZ1 LYS A 20 12.476 -5.182 0.377 1.00 61.41 H new ATOM 0 HZ2 LYS A 20 11.403 -4.197 -0.495 1.00 61.41 H new ATOM 0 HZ3 LYS A 20 12.630 -3.493 0.444 1.00 61.41 H new ATOM 295 N THR A 21 4.998 -6.728 1.405 1.00 33.33 N ATOM 296 CA THR A 21 3.651 -7.180 1.339 1.00 21.42 C ATOM 297 C THR A 21 2.939 -6.999 2.662 1.00 42.03 C ATOM 298 O THR A 21 3.508 -7.269 3.723 1.00 62.13 O ATOM 299 CB THR A 21 3.609 -8.666 0.959 1.00 14.54 C ATOM 300 OG1 THR A 21 4.290 -9.451 1.962 1.00 24.32 O ATOM 301 CG2 THR A 21 4.271 -8.914 -0.385 1.00 20.42 C ATOM 0 H THR A 21 5.602 -7.272 2.021 1.00 33.33 H new ATOM 0 HA THR A 21 3.145 -6.582 0.581 1.00 21.42 H new ATOM 0 HB THR A 21 2.561 -8.959 0.895 1.00 14.54 H new ATOM 0 HG1 THR A 21 5.038 -9.932 1.549 1.00 24.32 H new ATOM 0 HG21 THR A 21 4.224 -9.977 -0.623 1.00 20.42 H new ATOM 0 HG22 THR A 21 3.752 -8.345 -1.157 1.00 20.42 H new ATOM 0 HG23 THR A 21 5.313 -8.598 -0.341 1.00 20.42 H new ATOM 309 N LYS A 22 1.718 -6.538 2.603 1.00 52.14 N ATOM 310 CA LYS A 22 0.878 -6.422 3.792 1.00 11.53 C ATOM 311 C LYS A 22 -0.499 -6.951 3.476 1.00 22.31 C ATOM 312 O LYS A 22 -0.964 -6.832 2.348 1.00 1.42 O ATOM 313 CB LYS A 22 0.778 -4.983 4.298 1.00 71.00 C ATOM 314 CG LYS A 22 2.088 -4.371 4.765 1.00 41.14 C ATOM 315 CD LYS A 22 1.850 -2.985 5.316 1.00 30.23 C ATOM 316 CE LYS A 22 3.134 -2.317 5.766 1.00 71.30 C ATOM 317 NZ LYS A 22 2.866 -0.960 6.284 1.00 44.43 N ATOM 0 H LYS A 22 1.269 -6.231 1.740 1.00 52.14 H new ATOM 0 HA LYS A 22 1.340 -7.008 4.586 1.00 11.53 H new ATOM 0 HB2 LYS A 22 0.368 -4.362 3.501 1.00 71.00 H new ATOM 0 HB3 LYS A 22 0.066 -4.953 5.123 1.00 71.00 H new ATOM 0 HG2 LYS A 22 2.540 -5.002 5.531 1.00 41.14 H new ATOM 0 HG3 LYS A 22 2.792 -4.324 3.934 1.00 41.14 H new ATOM 0 HD2 LYS A 22 1.371 -2.371 4.554 1.00 30.23 H new ATOM 0 HD3 LYS A 22 1.160 -3.044 6.157 1.00 30.23 H new ATOM 0 HE2 LYS A 22 3.610 -2.919 6.540 1.00 71.30 H new ATOM 0 HE3 LYS A 22 3.832 -2.261 4.931 1.00 71.30 H new ATOM 0 HZ1 LYS A 22 3.744 -0.403 6.268 1.00 44.43 H new ATOM 0 HZ2 LYS A 22 2.150 -0.496 5.689 1.00 44.43 H new ATOM 0 HZ3 LYS A 22 2.515 -1.024 7.261 1.00 44.43 H new ATOM 331 N GLU A 23 -1.152 -7.528 4.444 1.00 3.24 N ATOM 332 CA GLU A 23 -2.449 -8.110 4.202 1.00 21.24 C ATOM 333 C GLU A 23 -3.395 -7.720 5.326 1.00 75.44 C ATOM 334 O GLU A 23 -3.058 -7.857 6.498 1.00 41.44 O ATOM 335 CB GLU A 23 -2.312 -9.617 4.156 1.00 62.11 C ATOM 336 CG GLU A 23 -3.521 -10.344 3.658 1.00 13.13 C ATOM 337 CD GLU A 23 -3.376 -11.819 3.863 1.00 55.44 C ATOM 338 OE1 GLU A 23 -2.662 -12.465 3.084 1.00 32.05 O ATOM 339 OE2 GLU A 23 -3.935 -12.338 4.851 1.00 41.24 O ATOM 0 H GLU A 23 -0.814 -7.610 5.403 1.00 3.24 H new ATOM 0 HA GLU A 23 -2.846 -7.748 3.254 1.00 21.24 H new ATOM 0 HB2 GLU A 23 -1.465 -9.871 3.519 1.00 62.11 H new ATOM 0 HB3 GLU A 23 -2.077 -9.977 5.158 1.00 62.11 H new ATOM 0 HG2 GLU A 23 -4.408 -9.985 4.181 1.00 13.13 H new ATOM 0 HG3 GLU A 23 -3.668 -10.132 2.599 1.00 13.13 H new ATOM 346 N PHE A 24 -4.562 -7.260 4.974 1.00 13.33 N ATOM 347 CA PHE A 24 -5.550 -6.816 5.946 1.00 33.31 C ATOM 348 C PHE A 24 -6.924 -7.182 5.449 1.00 13.11 C ATOM 349 O PHE A 24 -7.105 -7.462 4.252 1.00 24.10 O ATOM 350 CB PHE A 24 -5.509 -5.288 6.166 1.00 21.51 C ATOM 351 CG PHE A 24 -4.217 -4.718 6.701 1.00 65.21 C ATOM 352 CD1 PHE A 24 -3.993 -4.631 8.063 1.00 61.11 C ATOM 353 CD2 PHE A 24 -3.240 -4.251 5.835 1.00 52.44 C ATOM 354 CE1 PHE A 24 -2.817 -4.095 8.549 1.00 13.24 C ATOM 355 CE2 PHE A 24 -2.067 -3.712 6.316 1.00 62.12 C ATOM 356 CZ PHE A 24 -1.855 -3.634 7.675 1.00 61.30 C ATOM 0 H PHE A 24 -4.867 -7.178 4.004 1.00 13.33 H new ATOM 0 HA PHE A 24 -5.321 -7.305 6.893 1.00 33.31 H new ATOM 0 HB2 PHE A 24 -5.729 -4.801 5.216 1.00 21.51 H new ATOM 0 HB3 PHE A 24 -6.311 -5.021 6.855 1.00 21.51 H new ATOM 0 HD1 PHE A 24 -4.745 -4.986 8.753 1.00 61.11 H new ATOM 0 HD2 PHE A 24 -3.401 -4.311 4.769 1.00 52.44 H new ATOM 0 HE1 PHE A 24 -2.650 -4.037 9.614 1.00 13.24 H new ATOM 0 HE2 PHE A 24 -1.315 -3.351 5.629 1.00 62.12 H new ATOM 0 HZ PHE A 24 -0.936 -3.212 8.056 1.00 61.30 H new ATOM 366 N LEU A 25 -7.873 -7.231 6.334 1.00 11.45 N ATOM 367 CA LEU A 25 -9.219 -7.471 5.930 1.00 74.24 C ATOM 368 C LEU A 25 -9.801 -6.132 5.467 1.00 60.40 C ATOM 369 O LEU A 25 -9.783 -5.153 6.212 1.00 12.41 O ATOM 370 CB LEU A 25 -10.024 -8.029 7.121 1.00 41.45 C ATOM 371 CG LEU A 25 -11.447 -8.485 6.832 1.00 74.21 C ATOM 372 CD1 LEU A 25 -11.451 -9.620 5.834 1.00 61.31 C ATOM 373 CD2 LEU A 25 -12.147 -8.901 8.119 1.00 51.12 C ATOM 0 H LEU A 25 -7.738 -7.108 7.337 1.00 11.45 H new ATOM 0 HA LEU A 25 -9.264 -8.201 5.122 1.00 74.24 H new ATOM 0 HB2 LEU A 25 -9.474 -8.873 7.537 1.00 41.45 H new ATOM 0 HB3 LEU A 25 -10.063 -7.262 7.894 1.00 41.45 H new ATOM 0 HG LEU A 25 -11.994 -7.647 6.399 1.00 74.21 H new ATOM 0 HD11 LEU A 25 -12.478 -9.931 5.641 1.00 61.31 H new ATOM 0 HD12 LEU A 25 -10.992 -9.288 4.903 1.00 61.31 H new ATOM 0 HD13 LEU A 25 -10.887 -10.461 6.237 1.00 61.31 H new ATOM 0 HD21 LEU A 25 -13.163 -9.224 7.893 1.00 51.12 H new ATOM 0 HD22 LEU A 25 -11.600 -9.722 8.582 1.00 51.12 H new ATOM 0 HD23 LEU A 25 -12.180 -8.055 8.805 1.00 51.12 H new ATOM 385 N PHE A 26 -10.309 -6.092 4.266 1.00 43.52 N ATOM 386 CA PHE A 26 -10.885 -4.874 3.719 1.00 60.34 C ATOM 387 C PHE A 26 -12.255 -5.167 3.181 1.00 70.14 C ATOM 388 O PHE A 26 -12.636 -6.342 3.036 1.00 60.02 O ATOM 389 CB PHE A 26 -10.000 -4.243 2.612 1.00 32.11 C ATOM 390 CG PHE A 26 -8.697 -3.620 3.084 1.00 71.11 C ATOM 391 CD1 PHE A 26 -8.687 -2.335 3.606 1.00 64.12 C ATOM 392 CD2 PHE A 26 -7.492 -4.299 2.989 1.00 73.52 C ATOM 393 CE1 PHE A 26 -7.512 -1.744 4.028 1.00 54.14 C ATOM 394 CE2 PHE A 26 -6.319 -3.711 3.402 1.00 20.35 C ATOM 395 CZ PHE A 26 -6.324 -2.435 3.926 1.00 74.31 C ATOM 0 H PHE A 26 -10.340 -6.892 3.635 1.00 43.52 H new ATOM 0 HA PHE A 26 -10.947 -4.146 4.528 1.00 60.34 H new ATOM 0 HB2 PHE A 26 -9.767 -5.013 1.876 1.00 32.11 H new ATOM 0 HB3 PHE A 26 -10.582 -3.477 2.099 1.00 32.11 H new ATOM 0 HD1 PHE A 26 -9.614 -1.787 3.684 1.00 64.12 H new ATOM 0 HD2 PHE A 26 -7.474 -5.301 2.586 1.00 73.52 H new ATOM 0 HE1 PHE A 26 -7.524 -0.744 4.436 1.00 54.14 H new ATOM 0 HE2 PHE A 26 -5.388 -4.252 3.315 1.00 20.35 H new ATOM 0 HZ PHE A 26 -5.401 -1.980 4.255 1.00 74.31 H new ATOM 405 N SER A 27 -13.014 -4.150 2.901 1.00 65.53 N ATOM 406 CA SER A 27 -14.312 -4.376 2.379 1.00 75.42 C ATOM 407 C SER A 27 -14.236 -4.354 0.875 1.00 61.25 C ATOM 408 O SER A 27 -13.419 -3.631 0.309 1.00 15.54 O ATOM 409 CB SER A 27 -15.341 -3.347 2.907 1.00 73.31 C ATOM 410 OG SER A 27 -15.044 -2.010 2.519 1.00 15.25 O ATOM 0 H SER A 27 -12.755 -3.171 3.026 1.00 65.53 H new ATOM 0 HA SER A 27 -14.663 -5.352 2.715 1.00 75.42 H new ATOM 0 HB2 SER A 27 -16.333 -3.613 2.541 1.00 73.31 H new ATOM 0 HB3 SER A 27 -15.377 -3.404 3.995 1.00 73.31 H new ATOM 0 HG SER A 27 -14.100 -1.945 2.264 1.00 15.25 H new ATOM 416 N PRO A 28 -15.061 -5.146 0.194 1.00 71.34 N ATOM 417 CA PRO A 28 -15.106 -5.171 -1.269 1.00 4.12 C ATOM 418 C PRO A 28 -15.518 -3.808 -1.860 1.00 14.03 C ATOM 419 O PRO A 28 -15.395 -3.573 -3.070 1.00 3.43 O ATOM 420 CB PRO A 28 -16.146 -6.258 -1.570 1.00 55.31 C ATOM 421 CG PRO A 28 -16.959 -6.339 -0.334 1.00 0.42 C ATOM 422 CD PRO A 28 -15.997 -6.117 0.779 1.00 24.22 C ATOM 0 HA PRO A 28 -14.133 -5.376 -1.716 1.00 4.12 H new ATOM 0 HB2 PRO A 28 -16.758 -5.995 -2.432 1.00 55.31 H new ATOM 0 HB3 PRO A 28 -15.670 -7.212 -1.796 1.00 55.31 H new ATOM 0 HG2 PRO A 28 -17.747 -5.585 -0.330 1.00 0.42 H new ATOM 0 HG3 PRO A 28 -17.446 -7.310 -0.246 1.00 0.42 H new ATOM 0 HD2 PRO A 28 -16.488 -5.723 1.669 1.00 24.22 H new ATOM 0 HD3 PRO A 28 -15.496 -7.039 1.073 1.00 24.22 H new ATOM 430 N ASN A 29 -15.986 -2.929 -0.982 1.00 71.10 N ATOM 431 CA ASN A 29 -16.400 -1.578 -1.328 1.00 13.31 C ATOM 432 C ASN A 29 -15.197 -0.657 -1.460 1.00 4.42 C ATOM 433 O ASN A 29 -15.271 0.376 -2.133 1.00 3.04 O ATOM 434 CB ASN A 29 -17.332 -1.010 -0.252 1.00 15.03 C ATOM 435 CG ASN A 29 -18.687 -1.690 -0.157 1.00 13.35 C ATOM 436 OD1 ASN A 29 -18.844 -2.875 -0.471 1.00 71.13 O ATOM 437 ND2 ASN A 29 -19.665 -0.948 0.290 1.00 14.04 N ATOM 0 H ASN A 29 -16.090 -3.141 0.010 1.00 71.10 H new ATOM 0 HA ASN A 29 -16.923 -1.631 -2.283 1.00 13.31 H new ATOM 0 HB2 ASN A 29 -16.835 -1.085 0.715 1.00 15.03 H new ATOM 0 HB3 ASN A 29 -17.487 0.051 -0.449 1.00 15.03 H new ATOM 0 HD21 ASN A 29 -20.600 -1.343 0.391 1.00 14.04 H new ATOM 0 HD22 ASN A 29 -19.494 0.026 0.538 1.00 14.04 H new ATOM 444 N ASP A 30 -14.098 -1.031 -0.815 1.00 3.21 N ATOM 445 CA ASP A 30 -12.868 -0.230 -0.826 1.00 64.52 C ATOM 446 C ASP A 30 -12.209 -0.175 -2.199 1.00 42.42 C ATOM 447 O ASP A 30 -12.409 -1.057 -3.046 1.00 12.44 O ATOM 448 CB ASP A 30 -11.844 -0.683 0.236 1.00 13.13 C ATOM 449 CG ASP A 30 -12.240 -0.370 1.662 1.00 65.34 C ATOM 450 OD1 ASP A 30 -12.173 0.823 2.060 1.00 40.44 O ATOM 451 OD2 ASP A 30 -12.580 -1.303 2.426 1.00 75.44 O ATOM 0 H ASP A 30 -14.029 -1.891 -0.271 1.00 3.21 H new ATOM 0 HA ASP A 30 -13.192 0.778 -0.568 1.00 64.52 H new ATOM 0 HB2 ASP A 30 -11.693 -1.758 0.142 1.00 13.13 H new ATOM 0 HB3 ASP A 30 -10.886 -0.207 0.025 1.00 13.13 H new ATOM 456 N SER A 31 -11.458 0.869 -2.424 1.00 12.15 N ATOM 457 CA SER A 31 -10.744 1.060 -3.660 1.00 42.12 C ATOM 458 C SER A 31 -9.294 0.589 -3.501 1.00 13.42 C ATOM 459 O SER A 31 -8.593 1.057 -2.621 1.00 24.33 O ATOM 460 CB SER A 31 -10.761 2.537 -4.019 1.00 44.22 C ATOM 461 OG SER A 31 -12.093 3.028 -4.121 1.00 20.32 O ATOM 0 H SER A 31 -11.322 1.620 -1.747 1.00 12.15 H new ATOM 0 HA SER A 31 -11.222 0.481 -4.450 1.00 42.12 H new ATOM 0 HB2 SER A 31 -10.219 3.104 -3.262 1.00 44.22 H new ATOM 0 HB3 SER A 31 -10.241 2.690 -4.965 1.00 44.22 H new ATOM 0 HG SER A 31 -12.237 3.398 -5.017 1.00 20.32 H new ATOM 467 N ALA A 32 -8.863 -0.321 -4.367 1.00 22.34 N ATOM 468 CA ALA A 32 -7.494 -0.907 -4.332 1.00 41.22 C ATOM 469 C ALA A 32 -6.381 0.165 -4.257 1.00 52.42 C ATOM 470 O ALA A 32 -5.490 0.085 -3.412 1.00 61.43 O ATOM 471 CB ALA A 32 -7.295 -1.737 -5.569 1.00 13.54 C ATOM 0 H ALA A 32 -9.442 -0.686 -5.123 1.00 22.34 H new ATOM 0 HA ALA A 32 -7.418 -1.512 -3.428 1.00 41.22 H new ATOM 0 HB1 ALA A 32 -6.296 -2.173 -5.558 1.00 13.54 H new ATOM 0 HB2 ALA A 32 -8.038 -2.534 -5.596 1.00 13.54 H new ATOM 0 HB3 ALA A 32 -7.406 -1.107 -6.452 1.00 13.54 H new ATOM 477 N SER A 33 -6.446 1.154 -5.139 1.00 73.50 N ATOM 478 CA SER A 33 -5.469 2.230 -5.189 1.00 40.25 C ATOM 479 C SER A 33 -5.507 3.120 -3.921 1.00 34.31 C ATOM 480 O SER A 33 -4.482 3.656 -3.490 1.00 55.30 O ATOM 481 CB SER A 33 -5.683 3.017 -6.480 1.00 32.22 C ATOM 482 OG SER A 33 -7.071 3.205 -6.737 1.00 22.21 O ATOM 0 H SER A 33 -7.181 1.231 -5.842 1.00 73.50 H new ATOM 0 HA SER A 33 -4.463 1.809 -5.198 1.00 40.25 H new ATOM 0 HB2 SER A 33 -5.188 3.986 -6.406 1.00 32.22 H new ATOM 0 HB3 SER A 33 -5.223 2.487 -7.314 1.00 32.22 H new ATOM 0 HG SER A 33 -7.189 3.588 -7.631 1.00 22.21 H new ATOM 488 N ASP A 34 -6.687 3.237 -3.326 1.00 32.15 N ATOM 489 CA ASP A 34 -6.873 3.956 -2.052 1.00 45.13 C ATOM 490 C ASP A 34 -6.216 3.155 -0.936 1.00 71.41 C ATOM 491 O ASP A 34 -5.463 3.688 -0.108 1.00 31.21 O ATOM 492 CB ASP A 34 -8.375 4.121 -1.761 1.00 3.43 C ATOM 493 CG ASP A 34 -8.690 4.745 -0.407 1.00 61.14 C ATOM 494 OD1 ASP A 34 -8.784 3.999 0.595 1.00 25.22 O ATOM 495 OD2 ASP A 34 -8.903 5.968 -0.337 1.00 72.01 O ATOM 0 H ASP A 34 -7.547 2.840 -3.705 1.00 32.15 H new ATOM 0 HA ASP A 34 -6.417 4.944 -2.115 1.00 45.13 H new ATOM 0 HB2 ASP A 34 -8.818 4.737 -2.543 1.00 3.43 H new ATOM 0 HB3 ASP A 34 -8.853 3.143 -1.816 1.00 3.43 H new ATOM 500 N ILE A 35 -6.488 1.858 -0.948 1.00 11.11 N ATOM 501 CA ILE A 35 -5.954 0.924 0.017 1.00 32.23 C ATOM 502 C ILE A 35 -4.426 0.898 -0.028 1.00 63.20 C ATOM 503 O ILE A 35 -3.791 0.813 1.009 1.00 72.44 O ATOM 504 CB ILE A 35 -6.499 -0.498 -0.209 1.00 13.53 C ATOM 505 CG1 ILE A 35 -8.015 -0.529 -0.079 1.00 1.44 C ATOM 506 CG2 ILE A 35 -5.889 -1.445 0.777 1.00 43.45 C ATOM 507 CD1 ILE A 35 -8.606 -1.896 -0.318 1.00 52.12 C ATOM 0 H ILE A 35 -7.096 1.424 -1.642 1.00 11.11 H new ATOM 0 HA ILE A 35 -6.276 1.267 1.000 1.00 32.23 H new ATOM 0 HB ILE A 35 -6.233 -0.805 -1.220 1.00 13.53 H new ATOM 0 HG12 ILE A 35 -8.294 -0.189 0.918 1.00 1.44 H new ATOM 0 HG13 ILE A 35 -8.448 0.176 -0.789 1.00 1.44 H new ATOM 0 HG21 ILE A 35 -6.281 -2.448 0.609 1.00 43.45 H new ATOM 0 HG22 ILE A 35 -4.806 -1.453 0.652 1.00 43.45 H new ATOM 0 HG23 ILE A 35 -6.135 -1.125 1.789 1.00 43.45 H new ATOM 0 HD11 ILE A 35 -9.690 -1.848 -0.210 1.00 52.12 H new ATOM 0 HD12 ILE A 35 -8.356 -2.229 -1.325 1.00 52.12 H new ATOM 0 HD13 ILE A 35 -8.200 -2.600 0.408 1.00 52.12 H new ATOM 519 N ALA A 36 -3.856 0.975 -1.235 1.00 71.43 N ATOM 520 CA ALA A 36 -2.402 1.040 -1.441 1.00 63.31 C ATOM 521 C ALA A 36 -1.766 2.112 -0.564 1.00 12.20 C ATOM 522 O ALA A 36 -0.690 1.916 -0.016 1.00 43.55 O ATOM 523 CB ALA A 36 -2.098 1.338 -2.898 1.00 71.21 C ATOM 0 H ALA A 36 -4.392 0.994 -2.103 1.00 71.43 H new ATOM 0 HA ALA A 36 -1.982 0.073 -1.165 1.00 63.31 H new ATOM 0 HB1 ALA A 36 -1.019 1.385 -3.042 1.00 71.21 H new ATOM 0 HB2 ALA A 36 -2.514 0.550 -3.525 1.00 71.21 H new ATOM 0 HB3 ALA A 36 -2.543 2.294 -3.174 1.00 71.21 H new ATOM 529 N LYS A 37 -2.450 3.226 -0.419 1.00 52.42 N ATOM 530 CA LYS A 37 -2.002 4.305 0.426 1.00 41.45 C ATOM 531 C LYS A 37 -2.148 3.946 1.893 1.00 42.15 C ATOM 532 O LYS A 37 -1.262 4.213 2.694 1.00 34.25 O ATOM 533 CB LYS A 37 -2.769 5.573 0.073 1.00 51.41 C ATOM 534 CG LYS A 37 -2.212 6.326 -1.113 1.00 51.31 C ATOM 535 CD LYS A 37 -0.938 7.041 -0.707 1.00 64.15 C ATOM 536 CE LYS A 37 -0.280 7.754 -1.863 1.00 43.42 C ATOM 537 NZ LYS A 37 0.806 8.622 -1.379 1.00 22.21 N ATOM 0 H LYS A 37 -3.338 3.407 -0.888 1.00 52.42 H new ATOM 0 HA LYS A 37 -0.941 4.483 0.252 1.00 41.45 H new ATOM 0 HB2 LYS A 37 -3.807 5.311 -0.133 1.00 51.41 H new ATOM 0 HB3 LYS A 37 -2.773 6.234 0.939 1.00 51.41 H new ATOM 0 HG2 LYS A 37 -2.009 5.636 -1.932 1.00 51.31 H new ATOM 0 HG3 LYS A 37 -2.945 7.046 -1.477 1.00 51.31 H new ATOM 0 HD2 LYS A 37 -1.165 7.762 0.078 1.00 64.15 H new ATOM 0 HD3 LYS A 37 -0.239 6.319 -0.285 1.00 64.15 H new ATOM 0 HE2 LYS A 37 0.116 7.025 -2.570 1.00 43.42 H new ATOM 0 HE3 LYS A 37 -1.019 8.350 -2.399 1.00 43.42 H new ATOM 0 HZ1 LYS A 37 1.249 9.106 -2.186 1.00 22.21 H new ATOM 0 HZ2 LYS A 37 0.419 9.329 -0.722 1.00 22.21 H new ATOM 0 HZ3 LYS A 37 1.518 8.045 -0.887 1.00 22.21 H new ATOM 551 N HIS A 38 -3.254 3.307 2.216 1.00 34.43 N ATOM 552 CA HIS A 38 -3.568 2.894 3.586 1.00 15.42 C ATOM 553 C HIS A 38 -2.576 1.819 4.086 1.00 21.11 C ATOM 554 O HIS A 38 -2.126 1.861 5.220 1.00 0.32 O ATOM 555 CB HIS A 38 -5.032 2.379 3.652 1.00 43.23 C ATOM 556 CG HIS A 38 -5.504 1.943 5.017 1.00 21.43 C ATOM 557 ND1 HIS A 38 -6.336 2.698 5.803 1.00 21.42 N ATOM 558 CD2 HIS A 38 -5.273 0.805 5.711 1.00 4.42 C ATOM 559 CE1 HIS A 38 -6.591 2.048 6.918 1.00 22.43 C ATOM 560 NE2 HIS A 38 -5.958 0.898 6.889 1.00 61.10 N ATOM 0 H HIS A 38 -3.971 3.054 1.537 1.00 34.43 H new ATOM 0 HA HIS A 38 -3.468 3.756 4.245 1.00 15.42 H new ATOM 0 HB2 HIS A 38 -5.693 3.168 3.292 1.00 43.23 H new ATOM 0 HB3 HIS A 38 -5.135 1.539 2.965 1.00 43.23 H new ATOM 0 HD2 HIS A 38 -4.660 -0.025 5.392 1.00 4.42 H new ATOM 0 HE1 HIS A 38 -7.217 2.402 7.724 1.00 22.43 H new ATOM 0 HE2 HIS A 38 -5.975 0.191 7.624 1.00 61.10 H new ATOM 569 N VAL A 39 -2.261 0.870 3.238 1.00 72.52 N ATOM 570 CA VAL A 39 -1.340 -0.201 3.583 1.00 44.34 C ATOM 571 C VAL A 39 0.106 0.257 3.556 1.00 5.04 C ATOM 572 O VAL A 39 0.936 -0.261 4.302 1.00 52.22 O ATOM 573 CB VAL A 39 -1.531 -1.447 2.710 1.00 42.12 C ATOM 574 CG1 VAL A 39 -2.911 -2.032 2.961 1.00 71.50 C ATOM 575 CG2 VAL A 39 -1.370 -1.102 1.258 1.00 61.52 C ATOM 0 H VAL A 39 -2.632 0.813 2.289 1.00 72.52 H new ATOM 0 HA VAL A 39 -1.583 -0.482 4.608 1.00 44.34 H new ATOM 0 HB VAL A 39 -0.772 -2.185 2.971 1.00 42.12 H new ATOM 0 HG11 VAL A 39 -3.049 -2.918 2.341 1.00 71.50 H new ATOM 0 HG12 VAL A 39 -3.004 -2.306 4.012 1.00 71.50 H new ATOM 0 HG13 VAL A 39 -3.671 -1.292 2.710 1.00 71.50 H new ATOM 0 HG21 VAL A 39 -1.509 -1.998 0.653 1.00 61.52 H new ATOM 0 HG22 VAL A 39 -2.113 -0.356 0.977 1.00 61.52 H new ATOM 0 HG23 VAL A 39 -0.371 -0.701 1.088 1.00 61.52 H new ATOM 585 N TYR A 40 0.400 1.225 2.682 1.00 43.02 N ATOM 586 CA TYR A 40 1.756 1.771 2.524 1.00 43.35 C ATOM 587 C TYR A 40 2.398 2.103 3.878 1.00 51.12 C ATOM 588 O TYR A 40 3.536 1.680 4.143 1.00 42.23 O ATOM 589 CB TYR A 40 1.734 3.020 1.625 1.00 11.11 C ATOM 590 CG TYR A 40 3.103 3.602 1.356 1.00 52.23 C ATOM 591 CD1 TYR A 40 3.925 3.052 0.388 1.00 32.11 C ATOM 592 CD2 TYR A 40 3.574 4.697 2.073 1.00 24.13 C ATOM 593 CE1 TYR A 40 5.176 3.565 0.141 1.00 14.24 C ATOM 594 CE2 TYR A 40 4.826 5.219 1.829 1.00 15.22 C ATOM 595 CZ TYR A 40 5.622 4.646 0.861 1.00 75.55 C ATOM 596 OH TYR A 40 6.876 5.157 0.621 1.00 12.31 O ATOM 0 H TYR A 40 -0.291 1.652 2.065 1.00 43.02 H new ATOM 0 HA TYR A 40 2.364 1.001 2.048 1.00 43.35 H new ATOM 0 HB2 TYR A 40 1.265 2.764 0.675 1.00 11.11 H new ATOM 0 HB3 TYR A 40 1.111 3.782 2.093 1.00 11.11 H new ATOM 0 HD1 TYR A 40 3.577 2.204 -0.184 1.00 32.11 H new ATOM 0 HD2 TYR A 40 2.949 5.145 2.832 1.00 24.13 H new ATOM 0 HE1 TYR A 40 5.805 3.120 -0.616 1.00 14.24 H new ATOM 0 HE2 TYR A 40 5.180 6.070 2.392 1.00 15.22 H new ATOM 0 HH TYR A 40 7.037 5.921 1.214 1.00 12.31 H new ATOM 870 N LEU A 58 -1.766 6.358 -10.550 1.00 3.00 N ATOM 871 CA LEU A 58 -2.505 5.597 -9.566 1.00 55.22 C ATOM 872 C LEU A 58 -3.209 4.458 -10.270 1.00 12.15 C ATOM 873 O LEU A 58 -4.234 4.652 -10.920 1.00 42.03 O ATOM 874 CB LEU A 58 -3.521 6.522 -8.880 1.00 65.33 C ATOM 875 CG LEU A 58 -4.261 5.956 -7.676 1.00 62.41 C ATOM 876 CD1 LEU A 58 -3.283 5.653 -6.543 1.00 1.34 C ATOM 877 CD2 LEU A 58 -5.345 6.919 -7.213 1.00 14.43 C ATOM 0 HA LEU A 58 -1.836 5.190 -8.808 1.00 55.22 H new ATOM 0 HB2 LEU A 58 -2.999 7.425 -8.564 1.00 65.33 H new ATOM 0 HB3 LEU A 58 -4.260 6.824 -9.622 1.00 65.33 H new ATOM 0 HG LEU A 58 -4.741 5.023 -7.971 1.00 62.41 H new ATOM 0 HD11 LEU A 58 -3.828 5.249 -5.690 1.00 1.34 H new ATOM 0 HD12 LEU A 58 -2.548 4.923 -6.882 1.00 1.34 H new ATOM 0 HD13 LEU A 58 -2.774 6.570 -6.247 1.00 1.34 H new ATOM 0 HD21 LEU A 58 -5.863 6.497 -6.352 1.00 14.43 H new ATOM 0 HD22 LEU A 58 -4.892 7.870 -6.934 1.00 14.43 H new ATOM 0 HD23 LEU A 58 -6.058 7.080 -8.022 1.00 14.43 H new ATOM 889 N ARG A 59 -2.624 3.284 -10.197 1.00 60.21 N ATOM 890 CA ARG A 59 -3.168 2.119 -10.852 1.00 62.24 C ATOM 891 C ARG A 59 -3.081 0.935 -9.934 1.00 72.03 C ATOM 892 O ARG A 59 -2.291 0.922 -8.982 1.00 4.21 O ATOM 893 CB ARG A 59 -2.424 1.797 -12.155 1.00 11.53 C ATOM 894 CG ARG A 59 -2.489 2.870 -13.238 1.00 53.35 C ATOM 895 CD ARG A 59 -3.897 3.090 -13.744 1.00 33.23 C ATOM 896 NE ARG A 59 -3.951 4.176 -14.729 1.00 61.02 N ATOM 897 CZ ARG A 59 -5.053 4.566 -15.381 1.00 41.21 C ATOM 898 NH1 ARG A 59 -6.162 3.860 -15.288 1.00 5.31 N ATOM 899 NH2 ARG A 59 -5.019 5.626 -16.172 1.00 71.04 N ATOM 0 H ARG A 59 -1.760 3.111 -9.683 1.00 60.21 H new ATOM 0 HA ARG A 59 -4.208 2.335 -11.097 1.00 62.24 H new ATOM 0 HB2 ARG A 59 -1.377 1.610 -11.917 1.00 11.53 H new ATOM 0 HB3 ARG A 59 -2.828 0.871 -12.563 1.00 11.53 H new ATOM 0 HG2 ARG A 59 -2.097 3.807 -12.842 1.00 53.35 H new ATOM 0 HG3 ARG A 59 -1.847 2.582 -14.070 1.00 53.35 H new ATOM 0 HD2 ARG A 59 -4.271 2.170 -14.194 1.00 33.23 H new ATOM 0 HD3 ARG A 59 -4.553 3.325 -12.906 1.00 33.23 H new ATOM 0 HE ARG A 59 -3.083 4.671 -14.932 1.00 61.02 H new ATOM 0 HH11 ARG A 59 -6.182 3.014 -14.718 1.00 5.31 H new ATOM 0 HH12 ARG A 59 -7.000 4.159 -15.786 1.00 5.31 H new ATOM 0 HH21 ARG A 59 -4.151 6.149 -16.287 1.00 71.04 H new ATOM 0 HH22 ARG A 59 -5.861 5.920 -16.667 1.00 71.04 H new ATOM 913 N LEU A 60 -3.862 -0.051 -10.221 1.00 73.14 N ATOM 914 CA LEU A 60 -3.906 -1.232 -9.425 1.00 14.24 C ATOM 915 C LEU A 60 -3.713 -2.440 -10.306 1.00 2.55 C ATOM 916 O LEU A 60 -4.204 -2.484 -11.441 1.00 40.25 O ATOM 917 CB LEU A 60 -5.240 -1.271 -8.647 1.00 72.22 C ATOM 918 CG LEU A 60 -6.517 -1.234 -9.492 1.00 54.51 C ATOM 919 CD1 LEU A 60 -6.927 -2.612 -10.001 1.00 63.30 C ATOM 920 CD2 LEU A 60 -7.645 -0.543 -8.781 1.00 1.21 C ATOM 0 H LEU A 60 -4.494 -0.061 -11.022 1.00 73.14 H new ATOM 0 HA LEU A 60 -3.099 -1.235 -8.693 1.00 14.24 H new ATOM 0 HB2 LEU A 60 -5.257 -2.177 -8.041 1.00 72.22 H new ATOM 0 HB3 LEU A 60 -5.260 -0.426 -7.959 1.00 72.22 H new ATOM 0 HG LEU A 60 -6.280 -0.638 -10.373 1.00 54.51 H new ATOM 0 HD11 LEU A 60 -7.838 -2.525 -10.593 1.00 63.30 H new ATOM 0 HD12 LEU A 60 -6.130 -3.023 -10.620 1.00 63.30 H new ATOM 0 HD13 LEU A 60 -7.107 -3.274 -9.154 1.00 63.30 H new ATOM 0 HD21 LEU A 60 -8.530 -0.541 -9.418 1.00 1.21 H new ATOM 0 HD22 LEU A 60 -7.867 -1.070 -7.853 1.00 1.21 H new ATOM 0 HD23 LEU A 60 -7.358 0.484 -8.555 1.00 1.21 H new ATOM 932 N ILE A 61 -2.987 -3.382 -9.815 1.00 25.14 N ATOM 933 CA ILE A 61 -2.734 -4.595 -10.515 1.00 61.15 C ATOM 934 C ILE A 61 -3.424 -5.718 -9.800 1.00 24.25 C ATOM 935 O ILE A 61 -3.210 -5.943 -8.601 1.00 33.31 O ATOM 936 CB ILE A 61 -1.223 -4.880 -10.575 1.00 41.24 C ATOM 937 CG1 ILE A 61 -0.523 -3.787 -11.357 1.00 2.11 C ATOM 938 CG2 ILE A 61 -0.932 -6.253 -11.182 1.00 4.23 C ATOM 939 CD1 ILE A 61 0.986 -3.895 -11.356 1.00 0.44 C ATOM 0 H ILE A 61 -2.543 -3.331 -8.898 1.00 25.14 H new ATOM 0 HA ILE A 61 -3.111 -4.505 -11.534 1.00 61.15 H new ATOM 0 HB ILE A 61 -0.838 -4.890 -9.555 1.00 41.24 H new ATOM 0 HG12 ILE A 61 -0.877 -3.809 -12.388 1.00 2.11 H new ATOM 0 HG13 ILE A 61 -0.807 -2.820 -10.943 1.00 2.11 H new ATOM 0 HG21 ILE A 61 0.145 -6.419 -11.208 1.00 4.23 H new ATOM 0 HG22 ILE A 61 -1.404 -7.026 -10.576 1.00 4.23 H new ATOM 0 HG23 ILE A 61 -1.330 -6.294 -12.196 1.00 4.23 H new ATOM 0 HD11 ILE A 61 1.410 -3.076 -11.937 1.00 0.44 H new ATOM 0 HD12 ILE A 61 1.354 -3.841 -10.331 1.00 0.44 H new ATOM 0 HD13 ILE A 61 1.283 -4.846 -11.799 1.00 0.44 H new ATOM 951 N TYR A 62 -4.206 -6.440 -10.510 1.00 31.31 N ATOM 952 CA TYR A 62 -4.913 -7.520 -9.937 1.00 1.23 C ATOM 953 C TYR A 62 -4.180 -8.784 -10.288 1.00 24.22 C ATOM 954 O TYR A 62 -4.431 -9.427 -11.313 1.00 1.51 O ATOM 955 CB TYR A 62 -6.387 -7.521 -10.393 1.00 40.24 C ATOM 956 CG TYR A 62 -7.234 -8.663 -9.871 1.00 11.01 C ATOM 957 CD1 TYR A 62 -7.157 -9.066 -8.557 1.00 73.22 C ATOM 958 CD2 TYR A 62 -8.113 -9.337 -10.710 1.00 53.11 C ATOM 959 CE1 TYR A 62 -7.921 -10.100 -8.085 1.00 52.14 C ATOM 960 CE2 TYR A 62 -8.885 -10.378 -10.244 1.00 2.44 C ATOM 961 CZ TYR A 62 -8.782 -10.756 -8.923 1.00 23.54 C ATOM 962 OH TYR A 62 -9.538 -11.800 -8.440 1.00 72.31 O ATOM 0 H TYR A 62 -4.374 -6.299 -11.506 1.00 31.31 H new ATOM 0 HA TYR A 62 -4.951 -7.430 -8.851 1.00 1.23 H new ATOM 0 HB2 TYR A 62 -6.845 -6.582 -10.083 1.00 40.24 H new ATOM 0 HB3 TYR A 62 -6.411 -7.543 -11.483 1.00 40.24 H new ATOM 0 HD1 TYR A 62 -6.481 -8.557 -7.886 1.00 73.22 H new ATOM 0 HD2 TYR A 62 -8.192 -9.039 -11.745 1.00 53.11 H new ATOM 0 HE1 TYR A 62 -7.844 -10.398 -7.050 1.00 52.14 H new ATOM 0 HE2 TYR A 62 -9.564 -10.893 -10.907 1.00 2.44 H new ATOM 0 HH TYR A 62 -10.098 -12.158 -9.160 1.00 72.31 H new ATOM 972 N GLN A 63 -3.179 -9.048 -9.450 1.00 15.24 N ATOM 973 CA GLN A 63 -2.271 -10.119 -9.512 1.00 30.30 C ATOM 974 C GLN A 63 -1.306 -10.017 -10.725 1.00 2.14 C ATOM 975 O GLN A 63 -0.081 -10.098 -10.558 1.00 32.43 O ATOM 976 CB GLN A 63 -2.958 -11.447 -9.427 1.00 51.10 C ATOM 977 CG GLN A 63 -1.977 -12.512 -9.218 1.00 53.53 C ATOM 978 CD GLN A 63 -2.589 -13.899 -9.273 1.00 44.14 C ATOM 979 OE1 GLN A 63 -3.025 -14.440 -8.254 1.00 1.10 O ATOM 980 NE2 GLN A 63 -2.636 -14.473 -10.433 1.00 43.23 N ATOM 0 H GLN A 63 -2.993 -8.444 -8.649 1.00 15.24 H new ATOM 0 HA GLN A 63 -1.641 -10.042 -8.626 1.00 30.30 H new ATOM 0 HB2 GLN A 63 -3.678 -11.440 -8.609 1.00 51.10 H new ATOM 0 HB3 GLN A 63 -3.518 -11.634 -10.343 1.00 51.10 H new ATOM 0 HG2 GLN A 63 -1.197 -12.434 -9.976 1.00 53.53 H new ATOM 0 HG3 GLN A 63 -1.496 -12.371 -8.250 1.00 53.53 H new ATOM 0 HE21 GLN A 63 -2.265 -13.995 -11.254 1.00 43.23 H new ATOM 0 HE22 GLN A 63 -3.044 -15.403 -10.525 1.00 43.23 H new ATOM 989 N GLY A 64 -1.846 -9.804 -11.905 1.00 33.01 N ATOM 990 CA GLY A 64 -1.025 -9.719 -13.080 1.00 61.20 C ATOM 991 C GLY A 64 -1.282 -8.487 -13.923 1.00 54.02 C ATOM 992 O GLY A 64 -0.337 -7.812 -14.339 1.00 25.32 O ATOM 0 H GLY A 64 -2.846 -9.688 -12.070 1.00 33.01 H new ATOM 0 HA2 GLY A 64 0.023 -9.729 -12.780 1.00 61.20 H new ATOM 0 HA3 GLY A 64 -1.190 -10.606 -13.691 1.00 61.20 H new ATOM 996 N ARG A 65 -2.537 -8.174 -14.165 1.00 13.12 N ATOM 997 CA ARG A 65 -2.875 -7.056 -15.048 1.00 42.43 C ATOM 998 C ARG A 65 -3.485 -5.884 -14.297 1.00 33.24 C ATOM 999 O ARG A 65 -3.981 -6.040 -13.178 1.00 31.23 O ATOM 1000 CB ARG A 65 -3.812 -7.516 -16.174 1.00 62.40 C ATOM 1001 CG ARG A 65 -5.127 -8.121 -15.708 1.00 43.34 C ATOM 1002 CD ARG A 65 -5.961 -8.548 -16.897 1.00 64.41 C ATOM 1003 NE ARG A 65 -7.218 -9.193 -16.513 1.00 53.30 N ATOM 1004 CZ ARG A 65 -8.150 -9.593 -17.387 1.00 22.53 C ATOM 1005 NH1 ARG A 65 -7.968 -9.386 -18.692 1.00 0.44 N ATOM 1006 NH2 ARG A 65 -9.256 -10.196 -16.957 1.00 24.41 N ATOM 0 H ARG A 65 -3.339 -8.666 -13.772 1.00 13.12 H new ATOM 0 HA ARG A 65 -1.939 -6.706 -15.484 1.00 42.43 H new ATOM 0 HB2 ARG A 65 -4.029 -6.663 -16.817 1.00 62.40 H new ATOM 0 HB3 ARG A 65 -3.288 -8.250 -16.785 1.00 62.40 H new ATOM 0 HG2 ARG A 65 -4.932 -8.979 -15.065 1.00 43.34 H new ATOM 0 HG3 ARG A 65 -5.678 -7.394 -15.111 1.00 43.34 H new ATOM 0 HD2 ARG A 65 -6.180 -7.675 -17.512 1.00 64.41 H new ATOM 0 HD3 ARG A 65 -5.380 -9.235 -17.513 1.00 64.41 H new ATOM 0 HE ARG A 65 -7.394 -9.347 -15.520 1.00 53.30 H new ATOM 0 HH11 ARG A 65 -7.120 -8.924 -19.022 1.00 0.44 H new ATOM 0 HH12 ARG A 65 -8.676 -9.690 -19.360 1.00 0.44 H new ATOM 0 HH21 ARG A 65 -9.395 -10.355 -15.959 1.00 24.41 H new ATOM 0 HH22 ARG A 65 -9.964 -10.500 -17.625 1.00 24.41 H new ATOM 1020 N PHE A 66 -3.453 -4.724 -14.925 1.00 23.22 N ATOM 1021 CA PHE A 66 -4.013 -3.505 -14.361 1.00 62.23 C ATOM 1022 C PHE A 66 -5.480 -3.447 -14.734 1.00 33.42 C ATOM 1023 O PHE A 66 -5.811 -3.345 -15.914 1.00 41.34 O ATOM 1024 CB PHE A 66 -3.326 -2.261 -14.961 1.00 53.12 C ATOM 1025 CG PHE A 66 -1.834 -2.166 -14.783 1.00 64.42 C ATOM 1026 CD1 PHE A 66 -0.977 -2.848 -15.631 1.00 52.33 C ATOM 1027 CD2 PHE A 66 -1.288 -1.379 -13.789 1.00 2.21 C ATOM 1028 CE1 PHE A 66 0.389 -2.752 -15.487 1.00 53.13 C ATOM 1029 CE2 PHE A 66 0.079 -1.274 -13.645 1.00 52.34 C ATOM 1030 CZ PHE A 66 0.918 -1.962 -14.491 1.00 5.15 C ATOM 0 H PHE A 66 -3.036 -4.597 -15.847 1.00 23.22 H new ATOM 0 HA PHE A 66 -3.867 -3.512 -13.281 1.00 62.23 H new ATOM 0 HB2 PHE A 66 -3.545 -2.232 -16.028 1.00 53.12 H new ATOM 0 HB3 PHE A 66 -3.780 -1.374 -14.519 1.00 53.12 H new ATOM 0 HD1 PHE A 66 -1.387 -3.465 -16.417 1.00 52.33 H new ATOM 0 HD2 PHE A 66 -1.939 -0.840 -13.117 1.00 2.21 H new ATOM 0 HE1 PHE A 66 1.043 -3.295 -16.153 1.00 53.13 H new ATOM 0 HE2 PHE A 66 0.492 -0.650 -12.866 1.00 52.34 H new ATOM 0 HZ PHE A 66 1.989 -1.883 -14.374 1.00 5.15 H new ATOM 1040 N LEU A 67 -6.355 -3.542 -13.768 1.00 42.42 N ATOM 1041 CA LEU A 67 -7.785 -3.492 -14.091 1.00 64.45 C ATOM 1042 C LEU A 67 -8.326 -2.086 -14.300 1.00 53.51 C ATOM 1043 O LEU A 67 -9.055 -1.839 -15.262 1.00 4.00 O ATOM 1044 CB LEU A 67 -8.679 -4.300 -13.142 1.00 41.33 C ATOM 1045 CG LEU A 67 -8.507 -5.826 -13.163 1.00 34.20 C ATOM 1046 CD1 LEU A 67 -9.568 -6.484 -12.301 1.00 50.42 C ATOM 1047 CD2 LEU A 67 -8.574 -6.369 -14.584 1.00 13.44 C ATOM 0 H LEU A 67 -6.130 -3.651 -12.779 1.00 42.42 H new ATOM 0 HA LEU A 67 -7.835 -3.993 -15.058 1.00 64.45 H new ATOM 0 HB2 LEU A 67 -8.498 -3.951 -12.125 1.00 41.33 H new ATOM 0 HB3 LEU A 67 -9.719 -4.072 -13.377 1.00 41.33 H new ATOM 0 HG LEU A 67 -7.522 -6.060 -12.758 1.00 34.20 H new ATOM 0 HD11 LEU A 67 -9.436 -7.566 -12.324 1.00 50.42 H new ATOM 0 HD12 LEU A 67 -9.475 -6.129 -11.275 1.00 50.42 H new ATOM 0 HD13 LEU A 67 -10.557 -6.231 -12.684 1.00 50.42 H new ATOM 0 HD21 LEU A 67 -8.449 -7.452 -14.566 1.00 13.44 H new ATOM 0 HD22 LEU A 67 -9.541 -6.123 -15.022 1.00 13.44 H new ATOM 0 HD23 LEU A 67 -7.780 -5.922 -15.182 1.00 13.44 H new ATOM 1059 N HIS A 68 -7.968 -1.168 -13.420 1.00 31.40 N ATOM 1060 CA HIS A 68 -8.508 0.188 -13.466 1.00 32.11 C ATOM 1061 C HIS A 68 -7.654 1.033 -12.526 1.00 2.12 C ATOM 1062 O HIS A 68 -6.833 0.486 -11.808 1.00 73.23 O ATOM 1063 CB HIS A 68 -9.979 0.129 -12.984 1.00 73.33 C ATOM 1064 CG HIS A 68 -10.855 1.296 -13.357 1.00 32.32 C ATOM 1065 ND1 HIS A 68 -11.732 1.264 -14.412 1.00 51.23 N ATOM 1066 CD2 HIS A 68 -11.015 2.496 -12.789 1.00 41.22 C ATOM 1067 CE1 HIS A 68 -12.392 2.390 -14.472 1.00 23.22 C ATOM 1068 NE2 HIS A 68 -11.979 3.159 -13.496 1.00 75.01 N ATOM 0 H HIS A 68 -7.305 -1.333 -12.662 1.00 31.40 H new ATOM 0 HA HIS A 68 -8.487 0.619 -14.467 1.00 32.11 H new ATOM 0 HB2 HIS A 68 -10.432 -0.779 -13.382 1.00 73.33 H new ATOM 0 HB3 HIS A 68 -9.979 0.036 -11.898 1.00 73.33 H new ATOM 0 HD2 HIS A 68 -10.481 2.872 -11.929 1.00 41.22 H new ATOM 0 HE1 HIS A 68 -13.148 2.643 -15.201 1.00 23.22 H new ATOM 0 HE2 HIS A 68 -12.321 4.099 -13.296 1.00 75.01 H new ATOM 1077 N GLY A 69 -7.813 2.332 -12.545 1.00 32.24 N ATOM 1078 CA GLY A 69 -7.056 3.190 -11.637 1.00 72.13 C ATOM 1079 C GLY A 69 -7.704 3.330 -10.266 1.00 71.25 C ATOM 1080 O GLY A 69 -7.148 3.963 -9.375 1.00 33.21 O ATOM 0 H GLY A 69 -8.451 2.826 -13.169 1.00 32.24 H new ATOM 0 HA2 GLY A 69 -6.051 2.785 -11.517 1.00 72.13 H new ATOM 0 HA3 GLY A 69 -6.950 4.178 -12.085 1.00 72.13 H new ATOM 1084 N ASN A 70 -8.858 2.693 -10.086 1.00 23.45 N ATOM 1085 CA ASN A 70 -9.666 2.834 -8.874 1.00 43.23 C ATOM 1086 C ASN A 70 -10.932 1.996 -9.026 1.00 44.14 C ATOM 1087 O ASN A 70 -12.022 2.516 -9.218 1.00 4.21 O ATOM 1088 CB ASN A 70 -10.029 4.329 -8.599 1.00 62.44 C ATOM 1089 CG ASN A 70 -10.740 4.589 -7.265 1.00 2.53 C ATOM 1090 OD1 ASN A 70 -11.480 3.753 -6.741 1.00 61.23 O ATOM 1091 ND2 ASN A 70 -10.517 5.755 -6.712 1.00 5.31 N ATOM 0 H ASN A 70 -9.262 2.062 -10.778 1.00 23.45 H new ATOM 0 HA ASN A 70 -9.087 2.481 -8.021 1.00 43.23 H new ATOM 0 HB2 ASN A 70 -9.114 4.920 -8.627 1.00 62.44 H new ATOM 0 HB3 ASN A 70 -10.665 4.688 -9.408 1.00 62.44 H new ATOM 0 HD21 ASN A 70 -10.960 5.992 -5.824 1.00 5.31 H new ATOM 0 HD22 ASN A 70 -9.900 6.426 -7.169 1.00 5.31 H new ATOM 1098 N VAL A 71 -10.747 0.711 -9.104 1.00 14.01 N ATOM 1099 CA VAL A 71 -11.845 -0.219 -9.123 1.00 10.40 C ATOM 1100 C VAL A 71 -11.930 -0.875 -7.738 1.00 31.01 C ATOM 1101 O VAL A 71 -10.905 -0.969 -7.034 1.00 44.43 O ATOM 1102 CB VAL A 71 -11.716 -1.268 -10.288 1.00 61.00 C ATOM 1103 CG1 VAL A 71 -10.486 -2.116 -10.168 1.00 72.00 C ATOM 1104 CG2 VAL A 71 -12.936 -2.137 -10.406 1.00 1.44 C ATOM 0 H VAL A 71 -9.827 0.273 -9.157 1.00 14.01 H new ATOM 0 HA VAL A 71 -12.776 0.309 -9.329 1.00 10.40 H new ATOM 0 HB VAL A 71 -11.626 -0.680 -11.202 1.00 61.00 H new ATOM 0 HG11 VAL A 71 -10.448 -2.822 -10.998 1.00 72.00 H new ATOM 0 HG12 VAL A 71 -9.601 -1.480 -10.192 1.00 72.00 H new ATOM 0 HG13 VAL A 71 -10.513 -2.664 -9.226 1.00 72.00 H new ATOM 0 HG21 VAL A 71 -12.801 -2.845 -11.223 1.00 1.44 H new ATOM 0 HG22 VAL A 71 -13.086 -2.683 -9.474 1.00 1.44 H new ATOM 0 HG23 VAL A 71 -13.808 -1.515 -10.606 1.00 1.44 H new ATOM 1114 N THR A 72 -13.104 -1.276 -7.336 1.00 62.12 N ATOM 1115 CA THR A 72 -13.290 -1.876 -6.036 1.00 44.45 C ATOM 1116 C THR A 72 -12.969 -3.366 -6.072 1.00 4.41 C ATOM 1117 O THR A 72 -13.010 -3.986 -7.141 1.00 34.23 O ATOM 1118 CB THR A 72 -14.727 -1.657 -5.538 1.00 24.21 C ATOM 1119 OG1 THR A 72 -15.668 -2.181 -6.502 1.00 15.01 O ATOM 1120 CG2 THR A 72 -14.990 -0.175 -5.321 1.00 25.40 C ATOM 0 H THR A 72 -13.955 -1.199 -7.892 1.00 62.12 H new ATOM 0 HA THR A 72 -12.602 -1.392 -5.343 1.00 44.45 H new ATOM 0 HB THR A 72 -14.851 -2.181 -4.591 1.00 24.21 H new ATOM 0 HG1 THR A 72 -16.582 -2.040 -6.177 1.00 15.01 H new ATOM 0 HG21 THR A 72 -16.012 -0.035 -4.968 1.00 25.40 H new ATOM 0 HG22 THR A 72 -14.293 0.213 -4.578 1.00 25.40 H new ATOM 0 HG23 THR A 72 -14.854 0.360 -6.261 1.00 25.40 H new ATOM 1128 N LEU A 73 -12.664 -3.948 -4.912 1.00 40.32 N ATOM 1129 CA LEU A 73 -12.315 -5.360 -4.829 1.00 33.32 C ATOM 1130 C LEU A 73 -13.505 -6.235 -5.209 1.00 60.12 C ATOM 1131 O LEU A 73 -13.342 -7.312 -5.783 1.00 30.44 O ATOM 1132 CB LEU A 73 -11.826 -5.743 -3.439 1.00 65.44 C ATOM 1133 CG LEU A 73 -10.657 -4.947 -2.838 1.00 53.43 C ATOM 1134 CD1 LEU A 73 -9.526 -4.743 -3.817 1.00 33.13 C ATOM 1135 CD2 LEU A 73 -11.096 -3.657 -2.193 1.00 51.35 C ATOM 0 H LEU A 73 -12.653 -3.459 -4.017 1.00 40.32 H new ATOM 0 HA LEU A 73 -11.502 -5.528 -5.535 1.00 33.32 H new ATOM 0 HB2 LEU A 73 -12.671 -5.663 -2.755 1.00 65.44 H new ATOM 0 HB3 LEU A 73 -11.536 -6.793 -3.465 1.00 65.44 H new ATOM 0 HG LEU A 73 -10.260 -5.568 -2.035 1.00 53.43 H new ATOM 0 HD11 LEU A 73 -8.728 -4.175 -3.338 1.00 33.13 H new ATOM 0 HD12 LEU A 73 -9.141 -5.712 -4.135 1.00 33.13 H new ATOM 0 HD13 LEU A 73 -9.891 -4.195 -4.685 1.00 33.13 H new ATOM 0 HD21 LEU A 73 -10.227 -3.139 -1.787 1.00 51.35 H new ATOM 0 HD22 LEU A 73 -11.580 -3.025 -2.937 1.00 51.35 H new ATOM 0 HD23 LEU A 73 -11.799 -3.873 -1.388 1.00 51.35 H new ATOM 1147 N GLY A 74 -14.706 -5.760 -4.894 1.00 25.53 N ATOM 1148 CA GLY A 74 -15.912 -6.475 -5.268 1.00 12.24 C ATOM 1149 C GLY A 74 -16.064 -6.538 -6.776 1.00 3.12 C ATOM 1150 O GLY A 74 -16.563 -7.522 -7.329 1.00 61.31 O ATOM 0 H GLY A 74 -14.865 -4.890 -4.385 1.00 25.53 H new ATOM 0 HA2 GLY A 74 -15.881 -7.485 -4.860 1.00 12.24 H new ATOM 0 HA3 GLY A 74 -16.781 -5.982 -4.832 1.00 12.24 H new ATOM 1154 N ALA A 75 -15.590 -5.500 -7.438 1.00 2.53 N ATOM 1155 CA ALA A 75 -15.638 -5.402 -8.881 1.00 40.42 C ATOM 1156 C ALA A 75 -14.523 -6.230 -9.527 1.00 41.43 C ATOM 1157 O ALA A 75 -14.547 -6.493 -10.726 1.00 34.30 O ATOM 1158 CB ALA A 75 -15.598 -3.960 -9.328 1.00 70.22 C ATOM 0 H ALA A 75 -15.158 -4.695 -6.984 1.00 2.53 H new ATOM 0 HA ALA A 75 -16.587 -5.820 -9.218 1.00 40.42 H new ATOM 0 HB1 ALA A 75 -15.635 -3.915 -10.416 1.00 70.22 H new ATOM 0 HB2 ALA A 75 -16.453 -3.427 -8.913 1.00 70.22 H new ATOM 0 HB3 ALA A 75 -14.676 -3.496 -8.977 1.00 70.22 H new ATOM 1164 N LEU A 76 -13.536 -6.626 -8.715 1.00 13.04 N ATOM 1165 CA LEU A 76 -12.441 -7.489 -9.177 1.00 24.14 C ATOM 1166 C LEU A 76 -12.912 -8.951 -9.148 1.00 4.50 C ATOM 1167 O LEU A 76 -12.155 -9.873 -9.468 1.00 24.31 O ATOM 1168 CB LEU A 76 -11.255 -7.384 -8.244 1.00 15.55 C ATOM 1169 CG LEU A 76 -10.667 -6.019 -7.948 1.00 14.13 C ATOM 1170 CD1 LEU A 76 -9.583 -6.181 -6.939 1.00 71.42 C ATOM 1171 CD2 LEU A 76 -10.083 -5.414 -9.172 1.00 31.25 C ATOM 0 H LEU A 76 -13.473 -6.362 -7.732 1.00 13.04 H new ATOM 0 HA LEU A 76 -12.157 -7.177 -10.182 1.00 24.14 H new ATOM 0 HB2 LEU A 76 -11.545 -7.830 -7.293 1.00 15.55 H new ATOM 0 HB3 LEU A 76 -10.458 -8.003 -8.656 1.00 15.55 H new ATOM 0 HG LEU A 76 -11.459 -5.368 -7.578 1.00 14.13 H new ATOM 0 HD11 LEU A 76 -9.148 -5.208 -6.713 1.00 71.42 H new ATOM 0 HD12 LEU A 76 -9.996 -6.614 -6.028 1.00 71.42 H new ATOM 0 HD13 LEU A 76 -8.811 -6.840 -7.337 1.00 71.42 H new ATOM 0 HD21 LEU A 76 -9.668 -4.435 -8.932 1.00 31.25 H new ATOM 0 HD22 LEU A 76 -9.292 -6.059 -9.555 1.00 31.25 H new ATOM 0 HD23 LEU A 76 -10.859 -5.303 -9.929 1.00 31.25 H new ATOM 1183 N LYS A 77 -14.179 -9.134 -8.749 1.00 63.44 N ATOM 1184 CA LYS A 77 -14.865 -10.438 -8.678 1.00 20.02 C ATOM 1185 C LYS A 77 -14.487 -11.251 -7.437 1.00 12.12 C ATOM 1186 O LYS A 77 -14.808 -12.440 -7.368 1.00 21.44 O ATOM 1187 CB LYS A 77 -14.742 -11.309 -9.984 1.00 41.23 C ATOM 1188 CG LYS A 77 -15.388 -10.720 -11.257 1.00 1.43 C ATOM 1189 CD LYS A 77 -14.643 -9.498 -11.769 1.00 14.10 C ATOM 1190 CE LYS A 77 -15.355 -8.836 -12.926 1.00 15.45 C ATOM 1191 NZ LYS A 77 -14.640 -7.619 -13.375 1.00 42.44 N ATOM 0 H LYS A 77 -14.774 -8.358 -8.458 1.00 63.44 H new ATOM 0 HA LYS A 77 -15.918 -10.171 -8.589 1.00 20.02 H new ATOM 0 HB2 LYS A 77 -13.684 -11.480 -10.184 1.00 41.23 H new ATOM 0 HB3 LYS A 77 -15.191 -12.283 -9.790 1.00 41.23 H new ATOM 0 HG2 LYS A 77 -15.411 -11.482 -12.036 1.00 1.43 H new ATOM 0 HG3 LYS A 77 -16.423 -10.450 -11.045 1.00 1.43 H new ATOM 0 HD2 LYS A 77 -14.527 -8.780 -10.958 1.00 14.10 H new ATOM 0 HD3 LYS A 77 -13.641 -9.791 -12.081 1.00 14.10 H new ATOM 0 HE2 LYS A 77 -15.437 -9.539 -13.755 1.00 15.45 H new ATOM 0 HE3 LYS A 77 -16.371 -8.574 -12.629 1.00 15.45 H new ATOM 0 HZ1 LYS A 77 -15.220 -7.114 -14.075 1.00 42.44 H new ATOM 0 HZ2 LYS A 77 -14.465 -6.999 -12.559 1.00 42.44 H new ATOM 0 HZ3 LYS A 77 -13.733 -7.889 -13.806 1.00 42.44 H new ATOM 1205 N LEU A 78 -13.859 -10.604 -6.439 1.00 2.35 N ATOM 1206 CA LEU A 78 -13.487 -11.301 -5.189 1.00 62.14 C ATOM 1207 C LEU A 78 -14.672 -11.867 -4.439 1.00 23.53 C ATOM 1208 O LEU A 78 -15.597 -11.129 -4.062 1.00 71.20 O ATOM 1209 CB LEU A 78 -12.675 -10.439 -4.201 1.00 72.12 C ATOM 1210 CG LEU A 78 -11.181 -10.265 -4.451 1.00 74.42 C ATOM 1211 CD1 LEU A 78 -10.908 -9.555 -5.730 1.00 40.42 C ATOM 1212 CD2 LEU A 78 -10.540 -9.538 -3.284 1.00 53.23 C ATOM 0 H LEU A 78 -13.601 -9.618 -6.469 1.00 2.35 H new ATOM 0 HA LEU A 78 -12.857 -12.114 -5.550 1.00 62.14 H new ATOM 0 HB2 LEU A 78 -13.126 -9.447 -4.178 1.00 72.12 H new ATOM 0 HB3 LEU A 78 -12.798 -10.868 -3.207 1.00 72.12 H new ATOM 0 HG LEU A 78 -10.740 -11.258 -4.538 1.00 74.42 H new ATOM 0 HD11 LEU A 78 -9.831 -9.453 -5.867 1.00 40.42 H new ATOM 0 HD12 LEU A 78 -11.327 -10.125 -6.559 1.00 40.42 H new ATOM 0 HD13 LEU A 78 -11.365 -8.566 -5.702 1.00 40.42 H new ATOM 0 HD21 LEU A 78 -9.473 -9.418 -3.472 1.00 53.23 H new ATOM 0 HD22 LEU A 78 -11.001 -8.557 -3.169 1.00 53.23 H new ATOM 0 HD23 LEU A 78 -10.685 -10.116 -2.371 1.00 53.23 H new ATOM 1224 N PRO A 79 -14.679 -13.180 -4.239 1.00 74.33 N ATOM 1225 CA PRO A 79 -15.638 -13.830 -3.366 1.00 73.21 C ATOM 1226 C PRO A 79 -15.268 -13.515 -1.916 1.00 51.45 C ATOM 1227 O PRO A 79 -14.079 -13.318 -1.594 1.00 32.10 O ATOM 1228 CB PRO A 79 -15.431 -15.328 -3.652 1.00 14.12 C ATOM 1229 CG PRO A 79 -14.612 -15.376 -4.894 1.00 4.52 C ATOM 1230 CD PRO A 79 -13.779 -14.143 -4.870 1.00 72.45 C ATOM 0 HA PRO A 79 -16.669 -13.513 -3.525 1.00 73.21 H new ATOM 0 HB2 PRO A 79 -14.921 -15.821 -2.824 1.00 14.12 H new ATOM 0 HB3 PRO A 79 -16.384 -15.839 -3.788 1.00 14.12 H new ATOM 0 HG2 PRO A 79 -13.989 -16.270 -4.919 1.00 4.52 H new ATOM 0 HG3 PRO A 79 -15.245 -15.404 -5.781 1.00 4.52 H new ATOM 0 HD2 PRO A 79 -12.862 -14.281 -4.297 1.00 72.45 H new ATOM 0 HD3 PRO A 79 -13.484 -13.830 -5.872 1.00 72.45 H new ATOM 1238 N PHE A 80 -16.240 -13.472 -1.049 1.00 34.14 N ATOM 1239 CA PHE A 80 -15.984 -13.088 0.326 1.00 75.24 C ATOM 1240 C PHE A 80 -15.373 -14.275 1.051 1.00 32.40 C ATOM 1241 O PHE A 80 -15.751 -15.420 0.801 1.00 25.05 O ATOM 1242 CB PHE A 80 -17.284 -12.693 1.037 1.00 44.42 C ATOM 1243 CG PHE A 80 -18.192 -11.806 0.247 1.00 40.03 C ATOM 1244 CD1 PHE A 80 -17.826 -10.524 -0.105 1.00 24.22 C ATOM 1245 CD2 PHE A 80 -19.418 -12.286 -0.164 1.00 71.20 C ATOM 1246 CE1 PHE A 80 -18.677 -9.729 -0.851 1.00 72.35 C ATOM 1247 CE2 PHE A 80 -20.271 -11.504 -0.912 1.00 23.30 C ATOM 1248 CZ PHE A 80 -19.900 -10.223 -1.253 1.00 22.04 C ATOM 0 H PHE A 80 -17.213 -13.695 -1.259 1.00 34.14 H new ATOM 0 HA PHE A 80 -15.309 -12.232 0.334 1.00 75.24 H new ATOM 0 HB2 PHE A 80 -17.827 -13.601 1.301 1.00 44.42 H new ATOM 0 HB3 PHE A 80 -17.032 -12.190 1.971 1.00 44.42 H new ATOM 0 HD1 PHE A 80 -16.866 -10.137 0.205 1.00 24.22 H new ATOM 0 HD2 PHE A 80 -19.714 -13.289 0.104 1.00 71.20 H new ATOM 0 HE1 PHE A 80 -18.385 -8.724 -1.118 1.00 72.35 H new ATOM 0 HE2 PHE A 80 -21.227 -11.894 -1.229 1.00 23.30 H new ATOM 0 HZ PHE A 80 -20.567 -9.605 -1.836 1.00 22.04 H new ATOM 1258 N GLY A 81 -14.441 -14.019 1.918 1.00 15.42 N ATOM 1259 CA GLY A 81 -13.844 -15.098 2.678 1.00 53.32 C ATOM 1260 C GLY A 81 -12.597 -15.678 2.053 1.00 12.14 C ATOM 1261 O GLY A 81 -11.964 -16.553 2.639 1.00 60.33 O ATOM 0 H GLY A 81 -14.075 -13.089 2.122 1.00 15.42 H new ATOM 0 HA2 GLY A 81 -13.601 -14.734 3.676 1.00 53.32 H new ATOM 0 HA3 GLY A 81 -14.580 -15.893 2.799 1.00 53.32 H new ATOM 1265 N LYS A 82 -12.231 -15.204 0.886 1.00 0.20 N ATOM 1266 CA LYS A 82 -11.046 -15.702 0.223 1.00 31.04 C ATOM 1267 C LYS A 82 -9.902 -14.725 0.322 1.00 63.45 C ATOM 1268 O LYS A 82 -10.118 -13.515 0.458 1.00 54.32 O ATOM 1269 CB LYS A 82 -11.321 -16.009 -1.228 1.00 14.32 C ATOM 1270 CG LYS A 82 -12.349 -17.087 -1.433 1.00 3.02 C ATOM 1271 CD LYS A 82 -12.462 -17.408 -2.882 1.00 53.43 C ATOM 1272 CE LYS A 82 -13.529 -18.459 -3.157 1.00 21.33 C ATOM 1273 NZ LYS A 82 -13.253 -19.729 -2.461 1.00 4.43 N ATOM 0 H LYS A 82 -12.733 -14.477 0.376 1.00 0.20 H new ATOM 0 HA LYS A 82 -10.763 -16.622 0.734 1.00 31.04 H new ATOM 0 HB2 LYS A 82 -11.657 -15.099 -1.725 1.00 14.32 H new ATOM 0 HB3 LYS A 82 -10.391 -16.310 -1.709 1.00 14.32 H new ATOM 0 HG2 LYS A 82 -12.069 -17.980 -0.874 1.00 3.02 H new ATOM 0 HG3 LYS A 82 -13.314 -16.759 -1.047 1.00 3.02 H new ATOM 0 HD2 LYS A 82 -12.698 -16.500 -3.436 1.00 53.43 H new ATOM 0 HD3 LYS A 82 -11.500 -17.765 -3.249 1.00 53.43 H new ATOM 0 HE2 LYS A 82 -14.501 -18.078 -2.843 1.00 21.33 H new ATOM 0 HE3 LYS A 82 -13.590 -18.641 -4.230 1.00 21.33 H new ATOM 0 HZ1 LYS A 82 -13.904 -20.463 -2.806 1.00 4.43 H new ATOM 0 HZ2 LYS A 82 -12.272 -20.021 -2.647 1.00 4.43 H new ATOM 0 HZ3 LYS A 82 -13.388 -19.601 -1.438 1.00 4.43 H new ATOM 1287 N THR A 83 -8.693 -15.244 0.252 1.00 71.34 N ATOM 1288 CA THR A 83 -7.506 -14.437 0.296 1.00 14.43 C ATOM 1289 C THR A 83 -7.084 -14.086 -1.120 1.00 32.41 C ATOM 1290 O THR A 83 -6.790 -14.971 -1.930 1.00 71.21 O ATOM 1291 CB THR A 83 -6.343 -15.189 0.975 1.00 14.13 C ATOM 1292 OG1 THR A 83 -6.750 -15.635 2.286 1.00 52.31 O ATOM 1293 CG2 THR A 83 -5.133 -14.267 1.111 1.00 40.04 C ATOM 0 H THR A 83 -8.513 -16.244 0.163 1.00 71.34 H new ATOM 0 HA THR A 83 -7.731 -13.538 0.870 1.00 14.43 H new ATOM 0 HB THR A 83 -6.075 -16.050 0.362 1.00 14.13 H new ATOM 0 HG1 THR A 83 -6.524 -14.950 2.949 1.00 52.31 H new ATOM 0 HG21 THR A 83 -4.317 -14.806 1.591 1.00 40.04 H new ATOM 0 HG22 THR A 83 -4.816 -13.934 0.123 1.00 40.04 H new ATOM 0 HG23 THR A 83 -5.402 -13.401 1.716 1.00 40.04 H new ATOM 1301 N THR A 84 -7.065 -12.832 -1.418 1.00 72.24 N ATOM 1302 CA THR A 84 -6.662 -12.381 -2.725 1.00 64.42 C ATOM 1303 C THR A 84 -5.437 -11.454 -2.622 1.00 74.53 C ATOM 1304 O THR A 84 -5.371 -10.604 -1.741 1.00 22.20 O ATOM 1305 CB THR A 84 -7.828 -11.667 -3.413 1.00 61.21 C ATOM 1306 OG1 THR A 84 -8.957 -12.568 -3.482 1.00 21.15 O ATOM 1307 CG2 THR A 84 -7.457 -11.232 -4.813 1.00 2.14 C ATOM 0 H THR A 84 -7.325 -12.086 -0.773 1.00 72.24 H new ATOM 0 HA THR A 84 -6.380 -13.246 -3.326 1.00 64.42 H new ATOM 0 HB THR A 84 -8.079 -10.779 -2.833 1.00 61.21 H new ATOM 0 HG1 THR A 84 -9.106 -12.836 -4.413 1.00 21.15 H new ATOM 0 HG21 THR A 84 -8.306 -10.728 -5.275 1.00 2.14 H new ATOM 0 HG22 THR A 84 -6.609 -10.548 -4.769 1.00 2.14 H new ATOM 0 HG23 THR A 84 -7.187 -12.106 -5.406 1.00 2.14 H new ATOM 1315 N VAL A 85 -4.478 -11.643 -3.510 1.00 53.12 N ATOM 1316 CA VAL A 85 -3.258 -10.858 -3.506 1.00 41.52 C ATOM 1317 C VAL A 85 -3.206 -9.909 -4.728 1.00 13.14 C ATOM 1318 O VAL A 85 -3.530 -10.302 -5.855 1.00 71.25 O ATOM 1319 CB VAL A 85 -2.002 -11.787 -3.454 1.00 5.21 C ATOM 1320 CG1 VAL A 85 -1.943 -12.729 -4.650 1.00 72.22 C ATOM 1321 CG2 VAL A 85 -0.723 -10.988 -3.329 1.00 34.12 C ATOM 0 H VAL A 85 -4.523 -12.342 -4.251 1.00 53.12 H new ATOM 0 HA VAL A 85 -3.253 -10.240 -2.608 1.00 41.52 H new ATOM 0 HB VAL A 85 -2.100 -12.401 -2.558 1.00 5.21 H new ATOM 0 HG11 VAL A 85 -1.055 -13.357 -4.575 1.00 72.22 H new ATOM 0 HG12 VAL A 85 -2.833 -13.358 -4.662 1.00 72.22 H new ATOM 0 HG13 VAL A 85 -1.899 -12.146 -5.570 1.00 72.22 H new ATOM 0 HG21 VAL A 85 0.129 -11.667 -3.296 1.00 34.12 H new ATOM 0 HG22 VAL A 85 -0.624 -10.323 -4.187 1.00 34.12 H new ATOM 0 HG23 VAL A 85 -0.751 -10.397 -2.414 1.00 34.12 H new ATOM 1331 N MET A 86 -2.819 -8.668 -4.493 1.00 14.02 N ATOM 1332 CA MET A 86 -2.768 -7.655 -5.540 1.00 21.01 C ATOM 1333 C MET A 86 -1.492 -6.870 -5.488 1.00 61.12 C ATOM 1334 O MET A 86 -0.871 -6.751 -4.443 1.00 62.31 O ATOM 1335 CB MET A 86 -3.932 -6.679 -5.436 1.00 22.13 C ATOM 1336 CG MET A 86 -5.289 -7.287 -5.643 1.00 50.15 C ATOM 1337 SD MET A 86 -6.599 -6.064 -5.557 1.00 71.55 S ATOM 1338 CE MET A 86 -6.183 -4.998 -6.937 1.00 51.15 C ATOM 0 H MET A 86 -2.531 -8.331 -3.574 1.00 14.02 H new ATOM 0 HA MET A 86 -2.828 -8.195 -6.485 1.00 21.01 H new ATOM 0 HB2 MET A 86 -3.907 -6.210 -4.452 1.00 22.13 H new ATOM 0 HB3 MET A 86 -3.789 -5.887 -6.171 1.00 22.13 H new ATOM 0 HG2 MET A 86 -5.319 -7.782 -6.614 1.00 50.15 H new ATOM 0 HG3 MET A 86 -5.460 -8.055 -4.888 1.00 50.15 H new ATOM 0 HE1 MET A 86 -7.022 -4.336 -7.151 1.00 51.15 H new ATOM 0 HE2 MET A 86 -5.306 -4.402 -6.685 1.00 51.15 H new ATOM 0 HE3 MET A 86 -5.968 -5.607 -7.815 1.00 51.15 H new ATOM 1348 N HIS A 87 -1.097 -6.343 -6.623 1.00 21.20 N ATOM 1349 CA HIS A 87 0.082 -5.487 -6.698 1.00 24.32 C ATOM 1350 C HIS A 87 -0.392 -4.073 -6.914 1.00 71.42 C ATOM 1351 O HIS A 87 -1.291 -3.842 -7.707 1.00 71.43 O ATOM 1352 CB HIS A 87 1.027 -5.869 -7.844 1.00 23.13 C ATOM 1353 CG HIS A 87 1.682 -7.216 -7.756 1.00 62.12 C ATOM 1354 ND1 HIS A 87 2.996 -7.382 -7.385 1.00 72.04 N ATOM 1355 CD2 HIS A 87 1.227 -8.458 -8.053 1.00 33.31 C ATOM 1356 CE1 HIS A 87 3.319 -8.649 -7.459 1.00 41.23 C ATOM 1357 NE2 HIS A 87 2.265 -9.325 -7.859 1.00 13.13 N ATOM 0 H HIS A 87 -1.571 -6.488 -7.514 1.00 21.20 H new ATOM 0 HA HIS A 87 0.642 -5.600 -5.770 1.00 24.32 H new ATOM 0 HB2 HIS A 87 0.466 -5.824 -8.777 1.00 23.13 H new ATOM 0 HB3 HIS A 87 1.810 -5.113 -7.906 1.00 23.13 H new ATOM 0 HD2 HIS A 87 0.231 -8.714 -8.381 1.00 33.31 H new ATOM 0 HE1 HIS A 87 4.288 -9.068 -7.230 1.00 41.23 H new ATOM 0 HE2 HIS A 87 2.228 -10.334 -8.002 1.00 13.13 H new ATOM 1366 N LEU A 88 0.156 -3.137 -6.209 1.00 21.32 N ATOM 1367 CA LEU A 88 -0.296 -1.767 -6.341 1.00 52.11 C ATOM 1368 C LEU A 88 0.843 -0.885 -6.749 1.00 20.21 C ATOM 1369 O LEU A 88 1.933 -0.967 -6.172 1.00 73.31 O ATOM 1370 CB LEU A 88 -0.932 -1.251 -5.030 1.00 4.14 C ATOM 1371 CG LEU A 88 -2.210 -1.965 -4.521 1.00 1.33 C ATOM 1372 CD1 LEU A 88 -3.312 -1.949 -5.560 1.00 62.31 C ATOM 1373 CD2 LEU A 88 -1.919 -3.381 -4.049 1.00 5.25 C ATOM 0 H LEU A 88 0.911 -3.281 -5.539 1.00 21.32 H new ATOM 0 HA LEU A 88 -1.063 -1.741 -7.115 1.00 52.11 H new ATOM 0 HB2 LEU A 88 -0.178 -1.312 -4.245 1.00 4.14 H new ATOM 0 HB3 LEU A 88 -1.168 -0.195 -5.164 1.00 4.14 H new ATOM 0 HG LEU A 88 -2.564 -1.401 -3.658 1.00 1.33 H new ATOM 0 HD11 LEU A 88 -4.191 -2.459 -5.166 1.00 62.31 H new ATOM 0 HD12 LEU A 88 -3.569 -0.918 -5.802 1.00 62.31 H new ATOM 0 HD13 LEU A 88 -2.970 -2.459 -6.461 1.00 62.31 H new ATOM 0 HD21 LEU A 88 -2.842 -3.845 -3.701 1.00 5.25 H new ATOM 0 HD22 LEU A 88 -1.509 -3.963 -4.875 1.00 5.25 H new ATOM 0 HD23 LEU A 88 -1.197 -3.351 -3.233 1.00 5.25 H new ATOM 1385 N VAL A 89 0.615 -0.032 -7.724 1.00 51.34 N ATOM 1386 CA VAL A 89 1.665 0.818 -8.211 1.00 42.35 C ATOM 1387 C VAL A 89 1.360 2.281 -7.974 1.00 30.33 C ATOM 1388 O VAL A 89 0.238 2.752 -8.186 1.00 60.11 O ATOM 1389 CB VAL A 89 1.996 0.582 -9.721 1.00 3.22 C ATOM 1390 CG1 VAL A 89 2.450 -0.845 -9.962 1.00 40.15 C ATOM 1391 CG2 VAL A 89 0.815 0.921 -10.619 1.00 51.42 C ATOM 0 H VAL A 89 -0.285 0.087 -8.189 1.00 51.34 H new ATOM 0 HA VAL A 89 2.549 0.543 -7.635 1.00 42.35 H new ATOM 0 HB VAL A 89 2.813 1.256 -9.978 1.00 3.22 H new ATOM 0 HG11 VAL A 89 2.674 -0.982 -11.020 1.00 40.15 H new ATOM 0 HG12 VAL A 89 3.345 -1.047 -9.373 1.00 40.15 H new ATOM 0 HG13 VAL A 89 1.658 -1.534 -9.667 1.00 40.15 H new ATOM 0 HG21 VAL A 89 1.086 0.743 -11.660 1.00 51.42 H new ATOM 0 HG22 VAL A 89 -0.036 0.293 -10.354 1.00 51.42 H new ATOM 0 HG23 VAL A 89 0.547 1.969 -10.488 1.00 51.42 H new ATOM 1401 N ALA A 90 2.346 2.970 -7.497 1.00 13.42 N ATOM 1402 CA ALA A 90 2.287 4.382 -7.297 1.00 55.55 C ATOM 1403 C ALA A 90 3.558 4.966 -7.841 1.00 31.43 C ATOM 1404 O ALA A 90 4.620 4.309 -7.783 1.00 12.24 O ATOM 1405 CB ALA A 90 2.118 4.727 -5.823 1.00 24.10 C ATOM 0 H ALA A 90 3.238 2.555 -7.229 1.00 13.42 H new ATOM 0 HA ALA A 90 1.422 4.798 -7.814 1.00 55.55 H new ATOM 0 HB1 ALA A 90 2.077 5.810 -5.705 1.00 24.10 H new ATOM 0 HB2 ALA A 90 1.194 4.286 -5.450 1.00 24.10 H new ATOM 0 HB3 ALA A 90 2.962 4.333 -5.258 1.00 24.10 H new