USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 18 TYR OH : rot 180:sc= 0.389 USER MOD Set 1.2: A 55 TYR OH : rot 144:sc= -0.0402 USER MOD Set 1.3: A 60 THR OG1 : rot -106:sc= -1.25 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -1.55 K(o=-2.3,f=-0.96) USER MOD Set 2.2: A 46 THR OG1 : rot -100:sc= -0.778 USER MOD Single : A 4 THR OG1 : rot -7:sc= 0.76 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.16! C(o=-4.2!,f=-4.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -132:sc= -0.0512 (180deg=-1.08) USER MOD Single : A 23 SER OG : rot 180:sc= -0.108 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -146:sc= -0.792 USER MOD Single : A 37 ASN : amide:sc= -0.079 X(o=-0.079,f=-0.2) USER MOD Single : A 39 THR OG1 : rot -161:sc= -0.797 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -161:sc= 0.392 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.372 K(o=-0.37,f=0.5) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-2) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 0.957 4.047 -9.567 1.00 2.32 N ATOM 49 CA THR A 4 1.475 4.241 -10.915 1.00 70.44 C ATOM 50 C THR A 4 0.627 3.498 -11.942 1.00 21.14 C ATOM 51 O THR A 4 0.521 2.272 -11.902 1.00 32.31 O ATOM 52 CB THR A 4 2.935 3.763 -11.030 1.00 50.24 C ATOM 53 OG1 THR A 4 3.282 2.970 -9.890 1.00 5.53 O ATOM 54 CG2 THR A 4 3.884 4.947 -11.140 1.00 23.10 C ATOM 0 HA THR A 4 1.433 5.311 -11.119 1.00 70.44 H new ATOM 0 HB THR A 4 3.027 3.159 -11.933 1.00 50.24 H new ATOM 0 HG1 THR A 4 2.551 2.997 -9.238 1.00 5.53 H new ATOM 0 HG21 THR A 4 4.909 4.585 -11.220 1.00 23.10 H new ATOM 0 HG22 THR A 4 3.635 5.532 -12.026 1.00 23.10 H new ATOM 0 HG23 THR A 4 3.789 5.573 -10.253 1.00 23.10 H new ATOM 62 N ILE A 5 0.026 4.247 -12.860 1.00 2.44 N ATOM 63 CA ILE A 5 -0.811 3.659 -13.897 1.00 62.45 C ATOM 64 C ILE A 5 0.022 2.837 -14.876 1.00 4.44 C ATOM 65 O ILE A 5 1.251 2.924 -14.887 1.00 21.03 O ATOM 66 CB ILE A 5 -1.582 4.739 -14.679 1.00 34.45 C ATOM 67 CG1 ILE A 5 -0.678 5.380 -15.733 1.00 12.30 C ATOM 68 CG2 ILE A 5 -2.127 5.793 -13.727 1.00 5.52 C ATOM 69 CD1 ILE A 5 0.584 5.985 -15.159 1.00 51.32 C ATOM 0 H ILE A 5 0.104 5.263 -12.906 1.00 2.44 H new ATOM 0 HA ILE A 5 -1.525 3.007 -13.393 1.00 62.45 H new ATOM 0 HB ILE A 5 -2.423 4.268 -15.188 1.00 34.45 H new ATOM 0 HG12 ILE A 5 -0.406 4.627 -16.473 1.00 12.30 H new ATOM 0 HG13 ILE A 5 -1.237 6.155 -16.257 1.00 12.30 H new ATOM 0 HG21 ILE A 5 -2.669 6.550 -14.294 1.00 5.52 H new ATOM 0 HG22 ILE A 5 -2.801 5.323 -13.011 1.00 5.52 H new ATOM 0 HG23 ILE A 5 -1.301 6.263 -13.193 1.00 5.52 H new ATOM 0 HD11 ILE A 5 1.177 6.421 -15.963 1.00 51.32 H new ATOM 0 HD12 ILE A 5 0.321 6.761 -14.440 1.00 51.32 H new ATOM 0 HD13 ILE A 5 1.165 5.209 -14.660 1.00 51.32 H new ATOM 81 N LEU A 6 -0.654 2.042 -15.697 1.00 64.02 N ATOM 82 CA LEU A 6 0.024 1.206 -16.682 1.00 31.41 C ATOM 83 C LEU A 6 -0.502 1.484 -18.087 1.00 23.15 C ATOM 84 O LEU A 6 0.252 1.460 -19.058 1.00 42.34 O ATOM 85 CB LEU A 6 -0.163 -0.273 -16.339 1.00 21.41 C ATOM 86 CG LEU A 6 1.118 -1.097 -16.199 1.00 11.22 C ATOM 87 CD1 LEU A 6 1.903 -0.658 -14.972 1.00 60.34 C ATOM 88 CD2 LEU A 6 0.792 -2.581 -16.123 1.00 31.31 C ATOM 0 H LEU A 6 -1.671 1.958 -15.701 1.00 64.02 H new ATOM 0 HA LEU A 6 1.087 1.447 -16.657 1.00 31.41 H new ATOM 0 HB2 LEU A 6 -0.719 -0.341 -15.404 1.00 21.41 H new ATOM 0 HB3 LEU A 6 -0.782 -0.729 -17.112 1.00 21.41 H new ATOM 0 HG LEU A 6 1.736 -0.926 -17.081 1.00 11.22 H new ATOM 0 HD11 LEU A 6 2.811 -1.255 -14.888 1.00 60.34 H new ATOM 0 HD12 LEU A 6 2.168 0.395 -15.067 1.00 60.34 H new ATOM 0 HD13 LEU A 6 1.293 -0.799 -14.080 1.00 60.34 H new ATOM 0 HD21 LEU A 6 1.715 -3.152 -16.024 1.00 31.31 H new ATOM 0 HD22 LEU A 6 0.154 -2.770 -15.260 1.00 31.31 H new ATOM 0 HD23 LEU A 6 0.273 -2.886 -17.031 1.00 31.31 H new ATOM 100 N GLY A 7 -1.801 1.750 -18.185 1.00 62.21 N ATOM 101 CA GLY A 7 -2.405 2.031 -19.474 1.00 44.13 C ATOM 102 C GLY A 7 -3.228 3.304 -19.464 1.00 20.24 C ATOM 103 O GLY A 7 -3.878 3.622 -18.467 1.00 74.44 O ATOM 0 H GLY A 7 -2.446 1.776 -17.395 1.00 62.21 H new ATOM 0 HA2 GLY A 7 -1.622 2.114 -20.228 1.00 44.13 H new ATOM 0 HA3 GLY A 7 -3.040 1.194 -19.764 1.00 44.13 H new ATOM 107 N ILE A 8 -3.199 4.035 -20.573 1.00 32.41 N ATOM 108 CA ILE A 8 -3.948 5.280 -20.686 1.00 73.24 C ATOM 109 C ILE A 8 -4.850 5.269 -21.916 1.00 71.30 C ATOM 110 O ILE A 8 -4.519 4.663 -22.934 1.00 72.35 O ATOM 111 CB ILE A 8 -3.008 6.497 -20.764 1.00 52.21 C ATOM 112 CG1 ILE A 8 -3.817 7.796 -20.748 1.00 33.30 C ATOM 113 CG2 ILE A 8 -2.144 6.420 -22.014 1.00 54.51 C ATOM 114 CD1 ILE A 8 -2.960 9.042 -20.737 1.00 61.12 C ATOM 0 H ILE A 8 -2.665 3.787 -21.406 1.00 32.41 H new ATOM 0 HA ILE A 8 -4.562 5.362 -19.789 1.00 73.24 H new ATOM 0 HB ILE A 8 -2.353 6.488 -19.893 1.00 52.21 H new ATOM 0 HG12 ILE A 8 -4.467 7.820 -21.622 1.00 33.30 H new ATOM 0 HG13 ILE A 8 -4.463 7.801 -19.870 1.00 33.30 H new ATOM 0 HG21 ILE A 8 -1.485 7.287 -22.055 1.00 54.51 H new ATOM 0 HG22 ILE A 8 -1.545 5.510 -21.987 1.00 54.51 H new ATOM 0 HG23 ILE A 8 -2.782 6.408 -22.897 1.00 54.51 H new ATOM 0 HD11 ILE A 8 -3.600 9.924 -20.726 1.00 61.12 H new ATOM 0 HD12 ILE A 8 -2.328 9.041 -19.849 1.00 61.12 H new ATOM 0 HD13 ILE A 8 -2.333 9.060 -21.628 1.00 61.12 H new ATOM 126 N GLU A 9 -5.990 5.945 -21.813 1.00 70.13 N ATOM 127 CA GLU A 9 -6.939 6.013 -22.918 1.00 51.33 C ATOM 128 C GLU A 9 -7.510 7.422 -23.059 1.00 22.51 C ATOM 129 O GLU A 9 -8.034 7.990 -22.101 1.00 24.23 O ATOM 130 CB GLU A 9 -8.075 5.010 -22.707 1.00 64.44 C ATOM 131 CG GLU A 9 -8.548 4.347 -23.990 1.00 42.44 C ATOM 132 CD GLU A 9 -10.032 4.039 -23.975 1.00 33.25 C ATOM 133 OE1 GLU A 9 -10.455 3.204 -23.148 1.00 31.43 O ATOM 134 OE2 GLU A 9 -10.771 4.632 -24.788 1.00 61.53 O ATOM 0 H GLU A 9 -6.278 6.453 -20.977 1.00 70.13 H new ATOM 0 HA GLU A 9 -6.407 5.761 -23.835 1.00 51.33 H new ATOM 0 HB2 GLU A 9 -7.744 4.240 -22.011 1.00 64.44 H new ATOM 0 HB3 GLU A 9 -8.917 5.521 -22.240 1.00 64.44 H new ATOM 0 HG2 GLU A 9 -8.325 4.998 -24.835 1.00 42.44 H new ATOM 0 HG3 GLU A 9 -7.991 3.423 -24.144 1.00 42.44 H new ATOM 141 N VAL A 10 -7.404 7.979 -24.261 1.00 1.42 N ATOM 142 CA VAL A 10 -7.909 9.321 -24.528 1.00 73.54 C ATOM 143 C VAL A 10 -9.434 9.344 -24.528 1.00 24.34 C ATOM 144 O VAL A 10 -10.076 8.635 -25.302 1.00 61.14 O ATOM 145 CB VAL A 10 -7.399 9.853 -25.881 1.00 35.02 C ATOM 146 CG1 VAL A 10 -7.746 8.884 -27.001 1.00 51.32 C ATOM 147 CG2 VAL A 10 -7.975 11.233 -26.161 1.00 32.11 C ATOM 0 H VAL A 10 -6.973 7.522 -25.065 1.00 1.42 H new ATOM 0 HA VAL A 10 -7.538 9.964 -23.730 1.00 73.54 H new ATOM 0 HB VAL A 10 -6.314 9.940 -25.832 1.00 35.02 H new ATOM 0 HG11 VAL A 10 -7.378 9.277 -27.949 1.00 51.32 H new ATOM 0 HG12 VAL A 10 -7.281 7.918 -26.803 1.00 51.32 H new ATOM 0 HG13 VAL A 10 -8.828 8.762 -27.054 1.00 51.32 H new ATOM 0 HG21 VAL A 10 -7.605 11.594 -27.120 1.00 32.11 H new ATOM 0 HG22 VAL A 10 -9.063 11.174 -26.191 1.00 32.11 H new ATOM 0 HG23 VAL A 10 -7.671 11.921 -25.372 1.00 32.11 H new ATOM 157 N SER A 11 -10.007 10.164 -23.653 1.00 31.34 N ATOM 158 CA SER A 11 -11.457 10.277 -23.548 1.00 51.32 C ATOM 159 C SER A 11 -11.886 11.741 -23.512 1.00 31.11 C ATOM 160 O SER A 11 -12.846 12.100 -22.830 1.00 44.12 O ATOM 161 CB SER A 11 -11.957 9.556 -22.295 1.00 54.21 C ATOM 162 OG SER A 11 -13.157 8.850 -22.558 1.00 74.20 O ATOM 0 H SER A 11 -9.490 10.760 -23.007 1.00 31.34 H new ATOM 0 HA SER A 11 -11.898 9.808 -24.428 1.00 51.32 H new ATOM 0 HB2 SER A 11 -11.194 8.863 -21.941 1.00 54.21 H new ATOM 0 HB3 SER A 11 -12.124 10.280 -21.497 1.00 54.21 H new ATOM 0 HG SER A 11 -13.455 8.397 -21.742 1.00 74.20 H new ATOM 168 N GLN A 12 -11.168 12.580 -24.251 1.00 5.12 N ATOM 169 CA GLN A 12 -11.473 14.005 -24.303 1.00 20.12 C ATOM 170 C GLN A 12 -12.612 14.282 -25.278 1.00 51.22 C ATOM 171 O GLN A 12 -12.626 13.763 -26.394 1.00 2.51 O ATOM 172 CB GLN A 12 -10.231 14.800 -24.711 1.00 73.41 C ATOM 173 CG GLN A 12 -9.562 14.278 -25.972 1.00 74.44 C ATOM 174 CD GLN A 12 -9.396 15.350 -27.031 1.00 63.31 C ATOM 175 OE1 GLN A 12 -9.672 15.123 -28.209 1.00 50.05 O ATOM 176 NE2 GLN A 12 -8.942 16.527 -26.616 1.00 61.50 N ATOM 0 H GLN A 12 -10.371 12.298 -24.822 1.00 5.12 H new ATOM 0 HA GLN A 12 -11.786 14.321 -23.308 1.00 20.12 H new ATOM 0 HB2 GLN A 12 -10.511 15.842 -24.863 1.00 73.41 H new ATOM 0 HB3 GLN A 12 -9.511 14.779 -23.893 1.00 73.41 H new ATOM 0 HG2 GLN A 12 -8.584 13.870 -25.717 1.00 74.44 H new ATOM 0 HG3 GLN A 12 -10.153 13.458 -26.380 1.00 74.44 H new ATOM 0 HE21 GLN A 12 -8.726 16.671 -25.630 1.00 61.50 H new ATOM 0 HE22 GLN A 12 -8.810 17.287 -27.284 1.00 61.50 H new ATOM 185 N GLU A 13 -13.566 15.103 -24.849 1.00 22.01 N ATOM 186 CA GLU A 13 -14.710 15.447 -25.685 1.00 44.41 C ATOM 187 C GLU A 13 -14.530 16.828 -26.311 1.00 33.34 C ATOM 188 O GLU A 13 -13.793 17.675 -25.806 1.00 35.05 O ATOM 189 CB GLU A 13 -16.000 15.412 -24.863 1.00 63.41 C ATOM 190 CG GLU A 13 -16.692 14.059 -24.876 1.00 11.24 C ATOM 191 CD GLU A 13 -18.199 14.174 -24.751 1.00 1.10 C ATOM 192 OE1 GLU A 13 -18.839 14.653 -25.710 1.00 13.43 O ATOM 193 OE2 GLU A 13 -18.738 13.784 -23.694 1.00 25.02 O ATOM 0 H GLU A 13 -13.569 15.542 -23.928 1.00 22.01 H new ATOM 0 HA GLU A 13 -14.778 14.710 -26.485 1.00 44.41 H new ATOM 0 HB2 GLU A 13 -15.772 15.684 -23.833 1.00 63.41 H new ATOM 0 HB3 GLU A 13 -16.687 16.166 -25.248 1.00 63.41 H new ATOM 0 HG2 GLU A 13 -16.447 13.538 -25.802 1.00 11.24 H new ATOM 0 HG3 GLU A 13 -16.308 13.451 -24.057 1.00 11.24 H new ATOM 200 N PRO A 14 -15.219 17.060 -27.438 1.00 14.24 N ATOM 201 CA PRO A 14 -15.153 18.336 -28.157 1.00 72.31 C ATOM 202 C PRO A 14 -15.831 19.468 -27.393 1.00 42.11 C ATOM 203 O PRO A 14 -16.971 19.336 -26.948 1.00 21.54 O ATOM 204 CB PRO A 14 -15.902 18.047 -29.461 1.00 32.15 C ATOM 205 CG PRO A 14 -16.829 16.929 -29.126 1.00 5.35 C ATOM 206 CD PRO A 14 -16.117 16.096 -28.096 1.00 22.00 C ATOM 0 HA PRO A 14 -14.125 18.668 -28.304 1.00 72.31 H new ATOM 0 HB2 PRO A 14 -16.449 18.925 -29.806 1.00 32.15 H new ATOM 0 HB3 PRO A 14 -15.214 17.766 -30.259 1.00 32.15 H new ATOM 0 HG2 PRO A 14 -17.773 17.309 -28.736 1.00 5.35 H new ATOM 0 HG3 PRO A 14 -17.064 16.338 -30.011 1.00 5.35 H new ATOM 0 HD2 PRO A 14 -16.815 15.649 -27.388 1.00 22.00 H new ATOM 0 HD3 PRO A 14 -15.562 15.278 -28.555 1.00 22.00 H new ATOM 214 N LYS A 15 -15.122 20.582 -27.245 1.00 14.40 N ATOM 215 CA LYS A 15 -15.655 21.740 -26.536 1.00 73.12 C ATOM 216 C LYS A 15 -14.655 22.891 -26.545 1.00 41.31 C ATOM 217 O LYS A 15 -14.749 23.803 -27.367 1.00 14.33 O ATOM 218 CB LYS A 15 -16.004 21.365 -25.094 1.00 73.52 C ATOM 219 CG LYS A 15 -16.381 22.555 -24.230 1.00 11.31 C ATOM 220 CD LYS A 15 -17.739 22.362 -23.576 1.00 22.15 C ATOM 221 CE LYS A 15 -18.460 23.688 -23.385 1.00 64.30 C ATOM 222 NZ LYS A 15 -19.896 23.494 -23.043 1.00 60.03 N ATOM 0 H LYS A 15 -14.177 20.708 -27.607 1.00 14.40 H new ATOM 0 HA LYS A 15 -16.560 22.064 -27.050 1.00 73.12 H new ATOM 0 HB2 LYS A 15 -16.832 20.656 -25.102 1.00 73.52 H new ATOM 0 HB3 LYS A 15 -15.152 20.855 -24.644 1.00 73.52 H new ATOM 0 HG2 LYS A 15 -15.623 22.701 -23.460 1.00 11.31 H new ATOM 0 HG3 LYS A 15 -16.395 23.458 -24.840 1.00 11.31 H new ATOM 0 HD2 LYS A 15 -18.349 21.700 -24.191 1.00 22.15 H new ATOM 0 HD3 LYS A 15 -17.613 21.873 -22.610 1.00 22.15 H new ATOM 0 HE2 LYS A 15 -17.972 24.256 -22.593 1.00 64.30 H new ATOM 0 HE3 LYS A 15 -18.381 24.279 -24.297 1.00 64.30 H new ATOM 0 HZ1 LYS A 15 -20.352 24.421 -22.921 1.00 60.03 H new ATOM 0 HZ2 LYS A 15 -20.368 22.974 -23.810 1.00 60.03 H new ATOM 0 HZ3 LYS A 15 -19.972 22.952 -22.159 1.00 60.03 H new ATOM 236 N LYS A 16 -13.696 22.843 -25.627 1.00 23.30 N ATOM 237 CA LYS A 16 -12.675 23.880 -25.530 1.00 73.31 C ATOM 238 C LYS A 16 -13.286 25.264 -25.727 1.00 22.30 C ATOM 239 O LYS A 16 -12.876 26.013 -26.614 1.00 73.42 O ATOM 240 CB LYS A 16 -11.577 23.642 -26.569 1.00 54.45 C ATOM 241 CG LYS A 16 -10.370 24.548 -26.397 1.00 14.12 C ATOM 242 CD LYS A 16 -9.819 24.478 -24.983 1.00 4.23 C ATOM 243 CE LYS A 16 -10.420 25.557 -24.096 1.00 13.24 C ATOM 244 NZ LYS A 16 -9.390 26.213 -23.243 1.00 72.23 N ATOM 0 H LYS A 16 -13.604 22.096 -24.938 1.00 23.30 H new ATOM 0 HA LYS A 16 -12.238 23.834 -24.532 1.00 73.31 H new ATOM 0 HB2 LYS A 16 -11.252 22.603 -26.511 1.00 54.45 H new ATOM 0 HB3 LYS A 16 -11.993 23.790 -27.565 1.00 54.45 H new ATOM 0 HG2 LYS A 16 -9.594 24.260 -27.106 1.00 14.12 H new ATOM 0 HG3 LYS A 16 -10.649 25.576 -26.630 1.00 14.12 H new ATOM 0 HD2 LYS A 16 -10.030 23.497 -24.558 1.00 4.23 H new ATOM 0 HD3 LYS A 16 -8.735 24.588 -25.008 1.00 4.23 H new ATOM 0 HE2 LYS A 16 -10.908 26.308 -24.718 1.00 13.24 H new ATOM 0 HE3 LYS A 16 -11.190 25.118 -23.462 1.00 13.24 H new ATOM 0 HZ1 LYS A 16 -9.729 26.257 -22.261 1.00 72.23 H new ATOM 0 HZ2 LYS A 16 -8.507 25.664 -23.280 1.00 72.23 H new ATOM 0 HZ3 LYS A 16 -9.213 27.177 -23.591 1.00 72.23 H new ATOM 258 N ASP A 17 -14.265 25.597 -24.894 1.00 12.12 N ATOM 259 CA ASP A 17 -14.930 26.892 -24.975 1.00 12.42 C ATOM 260 C ASP A 17 -14.904 27.602 -23.625 1.00 34.15 C ATOM 261 O ASP A 17 -15.323 27.043 -22.610 1.00 44.12 O ATOM 262 CB ASP A 17 -16.375 26.719 -25.446 1.00 42.45 C ATOM 263 CG ASP A 17 -17.204 27.972 -25.244 1.00 11.24 C ATOM 264 OD1 ASP A 17 -16.794 29.042 -25.741 1.00 14.32 O ATOM 265 OD2 ASP A 17 -18.263 27.883 -24.588 1.00 71.54 O ATOM 0 H ASP A 17 -14.616 24.988 -24.155 1.00 12.12 H new ATOM 0 HA ASP A 17 -14.391 27.504 -25.698 1.00 12.42 H new ATOM 0 HB2 ASP A 17 -16.380 26.450 -26.502 1.00 42.45 H new ATOM 0 HB3 ASP A 17 -16.834 25.892 -24.904 1.00 42.45 H new ATOM 270 N TYR A 18 -14.410 28.835 -23.619 1.00 70.33 N ATOM 271 CA TYR A 18 -14.326 29.619 -22.393 1.00 52.42 C ATOM 272 C TYR A 18 -14.734 31.068 -22.644 1.00 73.24 C ATOM 273 O TYR A 18 -14.626 31.571 -23.764 1.00 21.15 O ATOM 274 CB TYR A 18 -12.906 29.569 -21.827 1.00 33.24 C ATOM 275 CG TYR A 18 -11.912 30.395 -22.611 1.00 23.14 C ATOM 276 CD1 TYR A 18 -11.415 29.949 -23.829 1.00 72.50 C ATOM 277 CD2 TYR A 18 -11.469 31.623 -22.133 1.00 73.51 C ATOM 278 CE1 TYR A 18 -10.506 30.700 -24.548 1.00 62.31 C ATOM 279 CE2 TYR A 18 -10.561 32.381 -22.846 1.00 53.12 C ATOM 280 CZ TYR A 18 -10.082 31.915 -24.053 1.00 11.23 C ATOM 281 OH TYR A 18 -9.177 32.667 -24.767 1.00 14.12 O ATOM 0 H TYR A 18 -14.062 29.313 -24.450 1.00 70.33 H new ATOM 0 HA TYR A 18 -15.015 29.186 -21.668 1.00 52.42 H new ATOM 0 HB2 TYR A 18 -12.923 29.919 -20.795 1.00 33.24 H new ATOM 0 HB3 TYR A 18 -12.568 28.533 -21.806 1.00 33.24 H new ATOM 0 HD1 TYR A 18 -11.745 28.998 -24.221 1.00 72.50 H new ATOM 0 HD2 TYR A 18 -11.841 31.990 -21.188 1.00 73.51 H new ATOM 0 HE1 TYR A 18 -10.129 30.338 -25.493 1.00 62.31 H new ATOM 0 HE2 TYR A 18 -10.228 33.333 -22.461 1.00 53.12 H new ATOM 0 HH TYR A 18 -8.984 33.495 -24.280 1.00 14.12 H new ATOM 291 N LEU A 19 -15.204 31.734 -21.595 1.00 63.41 N ATOM 292 CA LEU A 19 -15.628 33.125 -21.699 1.00 51.44 C ATOM 293 C LEU A 19 -14.694 34.040 -20.913 1.00 34.21 C ATOM 294 O LEU A 19 -13.986 33.593 -20.010 1.00 50.44 O ATOM 295 CB LEU A 19 -17.062 33.281 -21.190 1.00 1.43 C ATOM 296 CG LEU A 19 -17.426 32.464 -19.950 1.00 74.32 C ATOM 297 CD1 LEU A 19 -17.616 30.999 -20.314 1.00 11.24 C ATOM 298 CD2 LEU A 19 -16.357 32.615 -18.878 1.00 71.11 C ATOM 0 H LEU A 19 -15.301 31.333 -20.662 1.00 63.41 H new ATOM 0 HA LEU A 19 -15.589 33.413 -22.749 1.00 51.44 H new ATOM 0 HB2 LEU A 19 -17.236 34.334 -20.970 1.00 1.43 H new ATOM 0 HB3 LEU A 19 -17.744 33.006 -21.995 1.00 1.43 H new ATOM 0 HG LEU A 19 -18.367 32.844 -19.551 1.00 74.32 H new ATOM 0 HD11 LEU A 19 -17.875 30.432 -19.419 1.00 11.24 H new ATOM 0 HD12 LEU A 19 -18.418 30.907 -21.046 1.00 11.24 H new ATOM 0 HD13 LEU A 19 -16.692 30.606 -20.737 1.00 11.24 H new ATOM 0 HD21 LEU A 19 -16.633 32.026 -18.003 1.00 71.11 H new ATOM 0 HD22 LEU A 19 -15.401 32.262 -19.265 1.00 71.11 H new ATOM 0 HD23 LEU A 19 -16.270 33.664 -18.597 1.00 71.11 H new ATOM 310 N VAL A 20 -14.700 35.323 -21.260 1.00 71.12 N ATOM 311 CA VAL A 20 -13.856 36.302 -20.585 1.00 33.52 C ATOM 312 C VAL A 20 -14.095 36.287 -19.079 1.00 70.11 C ATOM 313 O VAL A 20 -15.229 36.150 -18.621 1.00 25.30 O ATOM 314 CB VAL A 20 -14.108 37.724 -21.120 1.00 21.24 C ATOM 315 CG1 VAL A 20 -13.941 37.763 -22.631 1.00 2.50 C ATOM 316 CG2 VAL A 20 -15.492 38.208 -20.715 1.00 72.41 C ATOM 0 H VAL A 20 -15.280 35.709 -22.005 1.00 71.12 H new ATOM 0 HA VAL A 20 -12.822 36.024 -20.789 1.00 33.52 H new ATOM 0 HB VAL A 20 -13.371 38.395 -20.680 1.00 21.24 H new ATOM 0 HG11 VAL A 20 -14.123 38.776 -22.991 1.00 2.50 H new ATOM 0 HG12 VAL A 20 -12.927 37.461 -22.893 1.00 2.50 H new ATOM 0 HG13 VAL A 20 -14.653 37.080 -23.094 1.00 2.50 H new ATOM 0 HG21 VAL A 20 -15.653 39.214 -21.101 1.00 72.41 H new ATOM 0 HG22 VAL A 20 -16.247 37.537 -21.125 1.00 72.41 H new ATOM 0 HG23 VAL A 20 -15.570 38.220 -19.628 1.00 72.41 H new ATOM 326 N GLY A 21 -13.018 36.430 -18.313 1.00 63.00 N ATOM 327 CA GLY A 21 -13.131 36.431 -16.866 1.00 70.12 C ATOM 328 C GLY A 21 -12.879 35.063 -16.264 1.00 61.10 C ATOM 329 O GLY A 21 -13.199 34.821 -15.100 1.00 73.12 O ATOM 0 H GLY A 21 -12.069 36.545 -18.669 1.00 63.00 H new ATOM 0 HA2 GLY A 21 -12.420 37.144 -16.450 1.00 70.12 H new ATOM 0 HA3 GLY A 21 -14.127 36.771 -16.583 1.00 70.12 H new ATOM 333 N ASP A 22 -12.305 34.166 -17.058 1.00 30.41 N ATOM 334 CA ASP A 22 -12.011 32.814 -16.597 1.00 23.24 C ATOM 335 C ASP A 22 -10.682 32.323 -17.163 1.00 40.54 C ATOM 336 O ASP A 22 -9.843 31.792 -16.436 1.00 14.45 O ATOM 337 CB ASP A 22 -13.135 31.858 -17.000 1.00 1.45 C ATOM 338 CG ASP A 22 -14.067 31.542 -15.846 1.00 50.15 C ATOM 339 OD1 ASP A 22 -14.541 32.492 -15.188 1.00 43.12 O ATOM 340 OD2 ASP A 22 -14.324 30.345 -15.603 1.00 24.32 O ATOM 0 H ASP A 22 -12.034 34.351 -18.024 1.00 30.41 H new ATOM 0 HA ASP A 22 -11.936 32.837 -15.510 1.00 23.24 H new ATOM 0 HB2 ASP A 22 -13.708 32.299 -17.816 1.00 1.45 H new ATOM 0 HB3 ASP A 22 -12.702 30.932 -17.378 1.00 1.45 H new ATOM 345 N SER A 23 -10.498 32.504 -18.467 1.00 41.43 N ATOM 346 CA SER A 23 -9.273 32.076 -19.133 1.00 73.01 C ATOM 347 C SER A 23 -9.123 30.559 -19.071 1.00 74.00 C ATOM 348 O SER A 23 -8.850 29.993 -18.012 1.00 14.05 O ATOM 349 CB SER A 23 -8.057 32.747 -18.491 1.00 73.32 C ATOM 350 OG SER A 23 -8.407 33.993 -17.916 1.00 11.53 O ATOM 0 H SER A 23 -11.181 32.944 -19.083 1.00 41.43 H new ATOM 0 HA SER A 23 -9.334 32.375 -20.179 1.00 73.01 H new ATOM 0 HB2 SER A 23 -7.640 32.094 -17.725 1.00 73.32 H new ATOM 0 HB3 SER A 23 -7.281 32.895 -19.242 1.00 73.32 H new ATOM 0 HG SER A 23 -7.613 34.401 -17.511 1.00 11.53 H new ATOM 356 N LEU A 24 -9.304 29.906 -20.214 1.00 22.13 N ATOM 357 CA LEU A 24 -9.189 28.454 -20.291 1.00 60.33 C ATOM 358 C LEU A 24 -10.246 27.777 -19.425 1.00 21.25 C ATOM 359 O LEU A 24 -10.132 27.747 -18.199 1.00 51.20 O ATOM 360 CB LEU A 24 -7.792 28.009 -19.854 1.00 35.35 C ATOM 361 CG LEU A 24 -6.823 27.639 -20.977 1.00 0.13 C ATOM 362 CD1 LEU A 24 -5.486 28.337 -20.779 1.00 72.21 C ATOM 363 CD2 LEU A 24 -6.634 26.131 -21.044 1.00 35.54 C ATOM 0 H LEU A 24 -9.531 30.359 -21.099 1.00 22.13 H new ATOM 0 HA LEU A 24 -9.350 28.156 -21.327 1.00 60.33 H new ATOM 0 HB2 LEU A 24 -7.345 28.810 -19.265 1.00 35.35 H new ATOM 0 HB3 LEU A 24 -7.897 27.148 -19.194 1.00 35.35 H new ATOM 0 HG LEU A 24 -7.249 27.974 -21.923 1.00 0.13 H new ATOM 0 HD11 LEU A 24 -4.809 28.062 -21.588 1.00 72.21 H new ATOM 0 HD12 LEU A 24 -5.635 29.417 -20.782 1.00 72.21 H new ATOM 0 HD13 LEU A 24 -5.055 28.033 -19.825 1.00 72.21 H new ATOM 0 HD21 LEU A 24 -5.941 25.887 -21.849 1.00 35.54 H new ATOM 0 HD22 LEU A 24 -6.231 25.772 -20.097 1.00 35.54 H new ATOM 0 HD23 LEU A 24 -7.595 25.652 -21.234 1.00 35.54 H new ATOM 375 N ASP A 25 -11.272 27.233 -20.069 1.00 71.50 N ATOM 376 CA ASP A 25 -12.348 26.552 -19.357 1.00 51.45 C ATOM 377 C ASP A 25 -12.532 25.131 -19.881 1.00 13.34 C ATOM 378 O ASP A 25 -13.605 24.542 -19.743 1.00 21.45 O ATOM 379 CB ASP A 25 -13.655 27.334 -19.498 1.00 11.32 C ATOM 380 CG ASP A 25 -14.718 26.865 -18.524 1.00 2.13 C ATOM 381 OD1 ASP A 25 -14.352 26.411 -17.419 1.00 41.40 O ATOM 382 OD2 ASP A 25 -15.916 26.952 -18.866 1.00 5.43 O ATOM 0 H ASP A 25 -11.382 27.250 -21.083 1.00 71.50 H new ATOM 0 HA ASP A 25 -12.077 26.499 -18.303 1.00 51.45 H new ATOM 0 HB2 ASP A 25 -13.460 28.394 -19.336 1.00 11.32 H new ATOM 0 HB3 ASP A 25 -14.029 27.231 -20.517 1.00 11.32 H new ATOM 387 N LEU A 26 -11.481 24.587 -20.482 1.00 45.04 N ATOM 388 CA LEU A 26 -11.526 23.235 -21.028 1.00 31.22 C ATOM 389 C LEU A 26 -11.868 22.221 -19.941 1.00 74.42 C ATOM 390 O LEU A 26 -11.042 21.913 -19.083 1.00 25.51 O ATOM 391 CB LEU A 26 -10.185 22.877 -21.671 1.00 3.54 C ATOM 392 CG LEU A 26 -10.028 21.430 -22.137 1.00 32.45 C ATOM 393 CD1 LEU A 26 -10.798 21.198 -23.428 1.00 3.23 C ATOM 394 CD2 LEU A 26 -8.558 21.085 -22.321 1.00 24.42 C ATOM 0 H LEU A 26 -10.586 25.061 -20.604 1.00 45.04 H new ATOM 0 HA LEU A 26 -12.306 23.203 -21.789 1.00 31.22 H new ATOM 0 HB2 LEU A 26 -10.030 23.532 -22.528 1.00 3.54 H new ATOM 0 HB3 LEU A 26 -9.392 23.095 -20.955 1.00 3.54 H new ATOM 0 HG LEU A 26 -10.441 20.775 -21.370 1.00 32.45 H new ATOM 0 HD11 LEU A 26 -10.674 20.162 -23.744 1.00 3.23 H new ATOM 0 HD12 LEU A 26 -11.856 21.403 -23.263 1.00 3.23 H new ATOM 0 HD13 LEU A 26 -10.417 21.862 -24.204 1.00 3.23 H new ATOM 0 HD21 LEU A 26 -8.466 20.051 -22.653 1.00 24.42 H new ATOM 0 HD22 LEU A 26 -8.120 21.747 -23.068 1.00 24.42 H new ATOM 0 HD23 LEU A 26 -8.034 21.210 -21.374 1.00 24.42 H new ATOM 406 N SER A 27 -13.092 21.703 -19.986 1.00 10.41 N ATOM 407 CA SER A 27 -13.545 20.725 -19.004 1.00 65.42 C ATOM 408 C SER A 27 -13.830 19.381 -19.668 1.00 52.24 C ATOM 409 O SER A 27 -13.843 18.342 -19.010 1.00 13.04 O ATOM 410 CB SER A 27 -14.799 21.230 -18.290 1.00 13.23 C ATOM 411 OG SER A 27 -15.617 21.984 -19.167 1.00 51.45 O ATOM 0 H SER A 27 -13.787 21.945 -20.692 1.00 10.41 H new ATOM 0 HA SER A 27 -12.750 20.588 -18.271 1.00 65.42 H new ATOM 0 HB2 SER A 27 -15.364 20.384 -17.898 1.00 13.23 H new ATOM 0 HB3 SER A 27 -14.513 21.845 -17.437 1.00 13.23 H new ATOM 0 HG SER A 27 -16.413 22.294 -18.687 1.00 51.45 H new ATOM 417 N GLU A 28 -14.059 19.412 -20.978 1.00 4.13 N ATOM 418 CA GLU A 28 -14.345 18.197 -21.731 1.00 51.03 C ATOM 419 C GLU A 28 -13.055 17.477 -22.113 1.00 71.22 C ATOM 420 O GLU A 28 -13.064 16.287 -22.424 1.00 75.35 O ATOM 421 CB GLU A 28 -15.149 18.529 -22.990 1.00 62.23 C ATOM 422 CG GLU A 28 -16.556 19.023 -22.701 1.00 74.43 C ATOM 423 CD GLU A 28 -17.606 18.311 -23.532 1.00 54.13 C ATOM 424 OE1 GLU A 28 -17.812 17.098 -23.316 1.00 2.33 O ATOM 425 OE2 GLU A 28 -18.222 18.966 -24.399 1.00 12.12 O ATOM 0 H GLU A 28 -14.052 20.264 -21.538 1.00 4.13 H new ATOM 0 HA GLU A 28 -14.935 17.536 -21.095 1.00 51.03 H new ATOM 0 HB2 GLU A 28 -14.616 19.289 -23.561 1.00 62.23 H new ATOM 0 HB3 GLU A 28 -15.207 17.640 -23.619 1.00 62.23 H new ATOM 0 HG2 GLU A 28 -16.777 18.881 -21.643 1.00 74.43 H new ATOM 0 HG3 GLU A 28 -16.608 20.094 -22.896 1.00 74.43 H new ATOM 432 N GLY A 29 -11.945 18.209 -22.087 1.00 73.13 N ATOM 433 CA GLY A 29 -10.663 17.624 -22.433 1.00 41.53 C ATOM 434 C GLY A 29 -10.069 16.815 -21.298 1.00 35.43 C ATOM 435 O GLY A 29 -9.004 17.148 -20.779 1.00 63.04 O ATOM 0 H GLY A 29 -11.911 19.196 -21.833 1.00 73.13 H new ATOM 0 HA2 GLY A 29 -10.783 16.984 -23.307 1.00 41.53 H new ATOM 0 HA3 GLY A 29 -9.969 18.417 -22.712 1.00 41.53 H new ATOM 439 N ARG A 30 -10.761 15.749 -20.909 1.00 33.34 N ATOM 440 CA ARG A 30 -10.298 14.891 -19.825 1.00 23.31 C ATOM 441 C ARG A 30 -9.881 13.522 -20.355 1.00 42.14 C ATOM 442 O ARG A 30 -10.363 13.075 -21.396 1.00 70.22 O ATOM 443 CB ARG A 30 -11.393 14.729 -18.770 1.00 35.51 C ATOM 444 CG ARG A 30 -12.517 13.798 -19.197 1.00 11.32 C ATOM 445 CD ARG A 30 -13.880 14.442 -18.996 1.00 11.04 C ATOM 446 NE ARG A 30 -14.971 13.519 -19.297 1.00 11.15 N ATOM 447 CZ ARG A 30 -15.384 12.572 -18.462 1.00 24.42 C ATOM 448 NH1 ARG A 30 -14.799 12.423 -17.281 1.00 51.40 N ATOM 449 NH2 ARG A 30 -16.383 11.770 -18.807 1.00 51.35 N ATOM 0 H ARG A 30 -11.644 15.459 -21.328 1.00 33.34 H new ATOM 0 HA ARG A 30 -9.429 15.364 -19.367 1.00 23.31 H new ATOM 0 HB2 ARG A 30 -10.947 14.349 -17.851 1.00 35.51 H new ATOM 0 HB3 ARG A 30 -11.812 15.709 -18.540 1.00 35.51 H new ATOM 0 HG2 ARG A 30 -12.391 13.531 -20.246 1.00 11.32 H new ATOM 0 HG3 ARG A 30 -12.462 12.873 -18.623 1.00 11.32 H new ATOM 0 HD2 ARG A 30 -13.970 14.786 -17.966 1.00 11.04 H new ATOM 0 HD3 ARG A 30 -13.963 15.322 -19.634 1.00 11.04 H new ATOM 0 HE ARG A 30 -15.442 13.606 -20.198 1.00 11.15 H new ATOM 0 HH11 ARG A 30 -14.030 13.036 -17.012 1.00 51.40 H new ATOM 0 HH12 ARG A 30 -15.118 11.695 -16.642 1.00 51.40 H new ATOM 0 HH21 ARG A 30 -16.835 11.880 -19.715 1.00 51.35 H new ATOM 0 HH22 ARG A 30 -16.699 11.043 -18.165 1.00 51.35 H new ATOM 463 N PHE A 31 -8.982 12.862 -19.633 1.00 44.00 N ATOM 464 CA PHE A 31 -8.498 11.545 -20.031 1.00 55.14 C ATOM 465 C PHE A 31 -8.771 10.513 -18.941 1.00 72.01 C ATOM 466 O PHE A 31 -8.780 10.836 -17.754 1.00 4.23 O ATOM 467 CB PHE A 31 -7.000 11.599 -20.335 1.00 62.32 C ATOM 468 CG PHE A 31 -6.151 11.854 -19.123 1.00 11.43 C ATOM 469 CD1 PHE A 31 -6.102 13.114 -18.548 1.00 53.31 C ATOM 470 CD2 PHE A 31 -5.403 10.835 -18.557 1.00 64.21 C ATOM 471 CE1 PHE A 31 -5.321 13.352 -17.433 1.00 15.31 C ATOM 472 CE2 PHE A 31 -4.620 11.067 -17.441 1.00 72.24 C ATOM 473 CZ PHE A 31 -4.581 12.327 -16.878 1.00 45.11 C ATOM 0 H PHE A 31 -8.573 13.218 -18.769 1.00 44.00 H new ATOM 0 HA PHE A 31 -9.033 11.246 -20.932 1.00 55.14 H new ATOM 0 HB2 PHE A 31 -6.696 10.656 -20.790 1.00 62.32 H new ATOM 0 HB3 PHE A 31 -6.815 12.382 -21.070 1.00 62.32 H new ATOM 0 HD1 PHE A 31 -6.681 13.919 -18.976 1.00 53.31 H new ATOM 0 HD2 PHE A 31 -5.432 9.847 -18.993 1.00 64.21 H new ATOM 0 HE1 PHE A 31 -5.290 14.339 -16.996 1.00 15.31 H new ATOM 0 HE2 PHE A 31 -4.040 10.264 -17.011 1.00 72.24 H new ATOM 0 HZ PHE A 31 -3.973 12.511 -16.005 1.00 45.11 H new ATOM 483 N ALA A 32 -8.994 9.270 -19.354 1.00 74.31 N ATOM 484 CA ALA A 32 -9.266 8.190 -18.414 1.00 30.52 C ATOM 485 C ALA A 32 -8.083 7.232 -18.321 1.00 72.44 C ATOM 486 O ALA A 32 -7.693 6.614 -19.312 1.00 64.02 O ATOM 487 CB ALA A 32 -10.525 7.439 -18.822 1.00 20.21 C ATOM 0 H ALA A 32 -8.992 8.986 -20.334 1.00 74.31 H new ATOM 0 HA ALA A 32 -9.422 8.630 -17.429 1.00 30.52 H new ATOM 0 HB1 ALA A 32 -10.716 6.635 -18.111 1.00 20.21 H new ATOM 0 HB2 ALA A 32 -11.372 8.125 -18.830 1.00 20.21 H new ATOM 0 HB3 ALA A 32 -10.391 7.018 -19.818 1.00 20.21 H new ATOM 493 N VAL A 33 -7.516 7.113 -17.125 1.00 44.02 N ATOM 494 CA VAL A 33 -6.377 6.230 -16.903 1.00 60.25 C ATOM 495 C VAL A 33 -6.761 5.049 -16.019 1.00 75.01 C ATOM 496 O VAL A 33 -7.511 5.201 -15.055 1.00 24.23 O ATOM 497 CB VAL A 33 -5.201 6.983 -16.253 1.00 70.53 C ATOM 498 CG1 VAL A 33 -5.488 7.255 -14.785 1.00 11.34 C ATOM 499 CG2 VAL A 33 -3.910 6.195 -16.415 1.00 61.42 C ATOM 0 H VAL A 33 -7.827 7.617 -16.295 1.00 44.02 H new ATOM 0 HA VAL A 33 -6.067 5.862 -17.881 1.00 60.25 H new ATOM 0 HB VAL A 33 -5.081 7.941 -16.759 1.00 70.53 H new ATOM 0 HG11 VAL A 33 -4.646 7.788 -14.342 1.00 11.34 H new ATOM 0 HG12 VAL A 33 -6.389 7.863 -14.697 1.00 11.34 H new ATOM 0 HG13 VAL A 33 -5.635 6.310 -14.262 1.00 11.34 H new ATOM 0 HG21 VAL A 33 -3.089 6.741 -15.950 1.00 61.42 H new ATOM 0 HG22 VAL A 33 -4.015 5.222 -15.936 1.00 61.42 H new ATOM 0 HG23 VAL A 33 -3.699 6.056 -17.475 1.00 61.42 H new ATOM 509 N ALA A 34 -6.243 3.872 -16.354 1.00 41.23 N ATOM 510 CA ALA A 34 -6.530 2.665 -15.589 1.00 43.12 C ATOM 511 C ALA A 34 -5.352 2.288 -14.697 1.00 11.23 C ATOM 512 O ALA A 34 -4.199 2.321 -15.127 1.00 40.01 O ATOM 513 CB ALA A 34 -6.874 1.516 -16.525 1.00 40.23 C ATOM 0 H ALA A 34 -5.622 3.729 -17.151 1.00 41.23 H new ATOM 0 HA ALA A 34 -7.388 2.866 -14.948 1.00 43.12 H new ATOM 0 HB1 ALA A 34 -7.086 0.621 -15.940 1.00 40.23 H new ATOM 0 HB2 ALA A 34 -7.751 1.779 -17.117 1.00 40.23 H new ATOM 0 HB3 ALA A 34 -6.032 1.324 -17.190 1.00 40.23 H new ATOM 519 N TYR A 35 -5.650 1.931 -13.452 1.00 44.23 N ATOM 520 CA TYR A 35 -4.615 1.551 -12.498 1.00 62.01 C ATOM 521 C TYR A 35 -4.432 0.037 -12.467 1.00 71.41 C ATOM 522 O TYR A 35 -5.389 -0.719 -12.637 1.00 1.14 O ATOM 523 CB TYR A 35 -4.968 2.062 -11.100 1.00 41.03 C ATOM 524 CG TYR A 35 -3.851 1.897 -10.095 1.00 64.20 C ATOM 525 CD1 TYR A 35 -2.525 2.094 -10.461 1.00 50.21 C ATOM 526 CD2 TYR A 35 -4.121 1.544 -8.778 1.00 51.14 C ATOM 527 CE1 TYR A 35 -1.501 1.943 -9.546 1.00 52.40 C ATOM 528 CE2 TYR A 35 -3.104 1.393 -7.856 1.00 63.42 C ATOM 529 CZ TYR A 35 -1.796 1.593 -8.245 1.00 25.11 C ATOM 530 OH TYR A 35 -0.779 1.443 -7.330 1.00 44.20 O ATOM 0 H TYR A 35 -6.599 1.897 -13.080 1.00 44.23 H new ATOM 0 HA TYR A 35 -3.677 2.006 -12.818 1.00 62.01 H new ATOM 0 HB2 TYR A 35 -5.234 3.117 -11.165 1.00 41.03 H new ATOM 0 HB3 TYR A 35 -5.850 1.532 -10.741 1.00 41.03 H new ATOM 0 HD1 TYR A 35 -2.291 2.370 -11.479 1.00 50.21 H new ATOM 0 HD2 TYR A 35 -5.144 1.385 -8.470 1.00 51.14 H new ATOM 0 HE1 TYR A 35 -0.476 2.098 -9.848 1.00 52.40 H new ATOM 0 HE2 TYR A 35 -3.332 1.120 -6.836 1.00 63.42 H new ATOM 0 HH TYR A 35 -1.156 1.196 -6.460 1.00 44.20 H new ATOM 540 N SER A 36 -3.196 -0.399 -12.249 1.00 24.35 N ATOM 541 CA SER A 36 -2.885 -1.823 -12.198 1.00 22.10 C ATOM 542 C SER A 36 -3.656 -2.508 -11.074 1.00 1.24 C ATOM 543 O SER A 36 -3.803 -3.729 -11.061 1.00 62.14 O ATOM 544 CB SER A 36 -1.382 -2.032 -12.002 1.00 1.01 C ATOM 545 OG SER A 36 -0.727 -2.219 -13.244 1.00 63.44 O ATOM 0 H SER A 36 -2.393 0.213 -12.105 1.00 24.35 H new ATOM 0 HA SER A 36 -3.186 -2.269 -13.146 1.00 22.10 H new ATOM 0 HB2 SER A 36 -0.956 -1.170 -11.489 1.00 1.01 H new ATOM 0 HB3 SER A 36 -1.212 -2.899 -11.364 1.00 1.01 H new ATOM 0 HG SER A 36 0.019 -2.844 -13.129 1.00 63.44 H new ATOM 551 N ASN A 37 -4.146 -1.711 -10.130 1.00 13.40 N ATOM 552 CA ASN A 37 -4.902 -2.239 -9.000 1.00 51.30 C ATOM 553 C ASN A 37 -6.400 -2.222 -9.292 1.00 25.21 C ATOM 554 O ASN A 37 -7.221 -2.195 -8.375 1.00 62.31 O ATOM 555 CB ASN A 37 -4.608 -1.425 -7.738 1.00 71.01 C ATOM 556 CG ASN A 37 -4.910 -2.198 -6.469 1.00 4.14 C ATOM 557 OD1 ASN A 37 -5.952 -2.004 -5.844 1.00 33.25 O ATOM 558 ND2 ASN A 37 -3.995 -3.079 -6.082 1.00 21.45 N ATOM 0 H ASN A 37 -4.033 -0.697 -10.125 1.00 13.40 H new ATOM 0 HA ASN A 37 -4.593 -3.272 -8.839 1.00 51.30 H new ATOM 0 HB2 ASN A 37 -3.560 -1.126 -7.738 1.00 71.01 H new ATOM 0 HB3 ASN A 37 -5.200 -0.510 -7.753 1.00 71.01 H new ATOM 0 HD21 ASN A 37 -4.142 -3.628 -5.235 1.00 21.45 H new ATOM 0 HD22 ASN A 37 -3.145 -3.207 -6.632 1.00 21.45 H new ATOM 565 N ASP A 38 -6.747 -2.239 -10.574 1.00 22.20 N ATOM 566 CA ASP A 38 -8.145 -2.228 -10.987 1.00 73.15 C ATOM 567 C ASP A 38 -8.835 -0.944 -10.537 1.00 42.13 C ATOM 568 O ASP A 38 -9.693 -0.963 -9.655 1.00 34.44 O ATOM 569 CB ASP A 38 -8.878 -3.443 -10.416 1.00 11.34 C ATOM 570 CG ASP A 38 -10.098 -3.820 -11.232 1.00 54.12 C ATOM 571 OD1 ASP A 38 -10.337 -3.174 -12.274 1.00 34.41 O ATOM 572 OD2 ASP A 38 -10.815 -4.760 -10.829 1.00 60.32 O ATOM 0 H ASP A 38 -6.079 -2.260 -11.345 1.00 22.20 H new ATOM 0 HA ASP A 38 -8.176 -2.274 -12.076 1.00 73.15 H new ATOM 0 HB2 ASP A 38 -8.194 -4.291 -10.378 1.00 11.34 H new ATOM 0 HB3 ASP A 38 -9.182 -3.232 -9.391 1.00 11.34 H new ATOM 577 N THR A 39 -8.453 0.173 -11.149 1.00 62.11 N ATOM 578 CA THR A 39 -9.032 1.467 -10.810 1.00 60.41 C ATOM 579 C THR A 39 -9.068 2.388 -12.024 1.00 73.21 C ATOM 580 O THR A 39 -8.350 2.173 -13.000 1.00 21.52 O ATOM 581 CB THR A 39 -8.244 2.156 -9.680 1.00 54.01 C ATOM 582 OG1 THR A 39 -7.360 1.218 -9.056 1.00 54.01 O ATOM 583 CG2 THR A 39 -9.189 2.740 -8.640 1.00 61.51 C ATOM 0 H THR A 39 -7.745 0.207 -11.882 1.00 62.11 H new ATOM 0 HA THR A 39 -10.050 1.279 -10.470 1.00 60.41 H new ATOM 0 HB THR A 39 -7.662 2.968 -10.116 1.00 54.01 H new ATOM 0 HG1 THR A 39 -7.094 1.555 -8.175 1.00 54.01 H new ATOM 0 HG21 THR A 39 -8.610 3.221 -7.852 1.00 61.51 H new ATOM 0 HG22 THR A 39 -9.840 3.475 -9.112 1.00 61.51 H new ATOM 0 HG23 THR A 39 -9.794 1.942 -8.210 1.00 61.51 H new ATOM 591 N MET A 40 -9.909 3.415 -11.957 1.00 21.03 N ATOM 592 CA MET A 40 -10.037 4.370 -13.051 1.00 4.51 C ATOM 593 C MET A 40 -10.209 5.789 -12.517 1.00 33.22 C ATOM 594 O MET A 40 -10.982 6.021 -11.588 1.00 4.35 O ATOM 595 CB MET A 40 -11.223 4.001 -13.943 1.00 71.02 C ATOM 596 CG MET A 40 -10.868 3.024 -15.053 1.00 13.25 C ATOM 597 SD MET A 40 -12.306 2.511 -16.012 1.00 30.42 S ATOM 598 CE MET A 40 -11.661 1.058 -16.838 1.00 3.04 C ATOM 0 H MET A 40 -10.512 3.607 -11.157 1.00 21.03 H new ATOM 0 HA MET A 40 -9.122 4.332 -13.642 1.00 4.51 H new ATOM 0 HB2 MET A 40 -12.010 3.567 -13.326 1.00 71.02 H new ATOM 0 HB3 MET A 40 -11.630 4.910 -14.386 1.00 71.02 H new ATOM 0 HG2 MET A 40 -10.138 3.485 -15.718 1.00 13.25 H new ATOM 0 HG3 MET A 40 -10.393 2.144 -14.619 1.00 13.25 H new ATOM 0 HE1 MET A 40 -12.436 0.625 -17.471 1.00 3.04 H new ATOM 0 HE2 MET A 40 -10.805 1.338 -17.452 1.00 3.04 H new ATOM 0 HE3 MET A 40 -11.349 0.325 -16.094 1.00 3.04 H new ATOM 608 N GLU A 41 -9.485 6.732 -13.110 1.00 51.44 N ATOM 609 CA GLU A 41 -9.559 8.127 -12.692 1.00 43.41 C ATOM 610 C GLU A 41 -9.640 9.054 -13.901 1.00 54.54 C ATOM 611 O GLU A 41 -8.879 8.912 -14.858 1.00 33.33 O ATOM 612 CB GLU A 41 -8.343 8.492 -11.838 1.00 22.43 C ATOM 613 CG GLU A 41 -8.680 8.754 -10.380 1.00 11.14 C ATOM 614 CD GLU A 41 -8.646 7.494 -9.537 1.00 34.11 C ATOM 615 OE1 GLU A 41 -7.622 6.780 -9.579 1.00 54.01 O ATOM 616 OE2 GLU A 41 -9.643 7.221 -8.836 1.00 52.31 O ATOM 0 H GLU A 41 -8.841 6.556 -13.881 1.00 51.44 H new ATOM 0 HA GLU A 41 -10.464 8.253 -12.097 1.00 43.41 H new ATOM 0 HB2 GLU A 41 -7.614 7.683 -11.894 1.00 22.43 H new ATOM 0 HB3 GLU A 41 -7.868 9.379 -12.257 1.00 22.43 H new ATOM 0 HG2 GLU A 41 -7.975 9.478 -9.973 1.00 11.14 H new ATOM 0 HG3 GLU A 41 -9.671 9.203 -10.315 1.00 11.14 H new ATOM 623 N GLU A 42 -10.570 10.004 -13.850 1.00 64.34 N ATOM 624 CA GLU A 42 -10.752 10.953 -14.942 1.00 43.12 C ATOM 625 C GLU A 42 -10.527 12.384 -14.462 1.00 63.01 C ATOM 626 O GLU A 42 -10.939 12.754 -13.362 1.00 74.04 O ATOM 627 CB GLU A 42 -12.155 10.818 -15.537 1.00 30.43 C ATOM 628 CG GLU A 42 -13.268 11.012 -14.520 1.00 61.25 C ATOM 629 CD GLU A 42 -14.305 9.907 -14.572 1.00 63.55 C ATOM 630 OE1 GLU A 42 -14.981 9.777 -15.615 1.00 21.25 O ATOM 631 OE2 GLU A 42 -14.440 9.172 -13.572 1.00 33.20 O ATOM 0 H GLU A 42 -11.208 10.136 -13.065 1.00 64.34 H new ATOM 0 HA GLU A 42 -10.015 10.726 -15.713 1.00 43.12 H new ATOM 0 HB2 GLU A 42 -12.273 11.549 -16.337 1.00 30.43 H new ATOM 0 HB3 GLU A 42 -12.255 9.831 -15.989 1.00 30.43 H new ATOM 0 HG2 GLU A 42 -12.838 11.054 -13.520 1.00 61.25 H new ATOM 0 HG3 GLU A 42 -13.755 11.971 -14.698 1.00 61.25 H new ATOM 638 N HIS A 43 -9.869 13.185 -15.294 1.00 64.35 N ATOM 639 CA HIS A 43 -9.588 14.575 -14.956 1.00 11.41 C ATOM 640 C HIS A 43 -9.435 15.421 -16.216 1.00 55.34 C ATOM 641 O HIS A 43 -8.848 14.981 -17.204 1.00 63.40 O ATOM 642 CB HIS A 43 -8.320 14.670 -14.108 1.00 24.15 C ATOM 643 CG HIS A 43 -8.569 15.136 -12.706 1.00 75.32 C ATOM 644 ND1 HIS A 43 -7.845 14.685 -11.623 1.00 34.32 N ATOM 645 CD2 HIS A 43 -9.469 16.019 -12.214 1.00 50.31 C ATOM 646 CE1 HIS A 43 -8.290 15.269 -10.525 1.00 1.42 C ATOM 647 NE2 HIS A 43 -9.275 16.085 -10.856 1.00 61.52 N ATOM 0 H HIS A 43 -9.520 12.895 -16.208 1.00 64.35 H new ATOM 0 HA HIS A 43 -10.430 14.960 -14.381 1.00 11.41 H new ATOM 0 HB2 HIS A 43 -7.840 13.692 -14.077 1.00 24.15 H new ATOM 0 HB3 HIS A 43 -7.621 15.353 -14.590 1.00 24.15 H new ATOM 0 HD2 HIS A 43 -10.203 16.569 -12.783 1.00 50.31 H new ATOM 0 HE1 HIS A 43 -7.913 15.107 -9.526 1.00 1.42 H new ATOM 0 HE2 HIS A 43 -9.805 16.669 -10.209 1.00 61.52 H new ATOM 655 N SER A 44 -9.969 16.638 -16.175 1.00 74.11 N ATOM 656 CA SER A 44 -9.896 17.544 -17.315 1.00 75.25 C ATOM 657 C SER A 44 -8.966 18.716 -17.019 1.00 51.14 C ATOM 658 O SER A 44 -9.141 19.429 -16.031 1.00 35.53 O ATOM 659 CB SER A 44 -11.291 18.062 -17.672 1.00 11.11 C ATOM 660 OG SER A 44 -12.287 17.427 -16.889 1.00 2.13 O ATOM 0 H SER A 44 -10.457 17.019 -15.364 1.00 74.11 H new ATOM 0 HA SER A 44 -9.494 16.990 -18.163 1.00 75.25 H new ATOM 0 HB2 SER A 44 -11.333 19.140 -17.515 1.00 11.11 H new ATOM 0 HB3 SER A 44 -11.488 17.886 -18.729 1.00 11.11 H new ATOM 0 HG SER A 44 -13.159 17.530 -17.323 1.00 2.13 H new ATOM 666 N PHE A 45 -7.976 18.910 -17.884 1.00 25.02 N ATOM 667 CA PHE A 45 -7.016 19.995 -17.716 1.00 24.12 C ATOM 668 C PHE A 45 -6.471 20.023 -16.291 1.00 4.11 C ATOM 669 O PHE A 45 -6.173 21.088 -15.748 1.00 22.40 O ATOM 670 CB PHE A 45 -7.668 21.338 -18.051 1.00 62.21 C ATOM 671 CG PHE A 45 -6.680 22.451 -18.249 1.00 4.44 C ATOM 672 CD1 PHE A 45 -5.592 22.289 -19.092 1.00 11.14 C ATOM 673 CD2 PHE A 45 -6.838 23.661 -17.591 1.00 22.43 C ATOM 674 CE1 PHE A 45 -4.681 23.312 -19.276 1.00 1.01 C ATOM 675 CE2 PHE A 45 -5.930 24.687 -17.771 1.00 53.13 C ATOM 676 CZ PHE A 45 -4.850 24.512 -18.614 1.00 1.30 C ATOM 0 H PHE A 45 -7.817 18.330 -18.708 1.00 25.02 H new ATOM 0 HA PHE A 45 -6.186 19.821 -18.401 1.00 24.12 H new ATOM 0 HB2 PHE A 45 -8.265 21.227 -18.956 1.00 62.21 H new ATOM 0 HB3 PHE A 45 -8.354 21.610 -17.249 1.00 62.21 H new ATOM 0 HD1 PHE A 45 -5.454 21.352 -19.611 1.00 11.14 H new ATOM 0 HD2 PHE A 45 -7.680 23.803 -16.930 1.00 22.43 H new ATOM 0 HE1 PHE A 45 -3.838 23.173 -19.937 1.00 1.01 H new ATOM 0 HE2 PHE A 45 -6.065 25.625 -17.253 1.00 53.13 H new ATOM 0 HZ PHE A 45 -4.139 25.312 -18.755 1.00 1.30 H new ATOM 686 N THR A 46 -6.343 18.845 -15.689 1.00 20.51 N ATOM 687 CA THR A 46 -5.836 18.733 -14.327 1.00 70.31 C ATOM 688 C THR A 46 -4.426 18.155 -14.311 1.00 64.42 C ATOM 689 O THR A 46 -3.485 18.800 -13.847 1.00 73.23 O ATOM 690 CB THR A 46 -6.751 17.849 -13.458 1.00 4.10 C ATOM 691 OG1 THR A 46 -8.031 17.706 -14.083 1.00 21.50 O ATOM 692 CG2 THR A 46 -6.922 18.449 -12.070 1.00 74.54 C ATOM 0 H THR A 46 -6.584 17.954 -16.124 1.00 20.51 H new ATOM 0 HA THR A 46 -5.817 19.741 -13.913 1.00 70.31 H new ATOM 0 HB THR A 46 -6.285 16.869 -13.358 1.00 4.10 H new ATOM 0 HG1 THR A 46 -8.670 18.319 -13.664 1.00 21.50 H new ATOM 0 HG21 THR A 46 -7.572 17.808 -11.474 1.00 74.54 H new ATOM 0 HG22 THR A 46 -5.949 18.529 -11.586 1.00 74.54 H new ATOM 0 HG23 THR A 46 -7.368 19.440 -12.154 1.00 74.54 H new ATOM 700 N ASP A 47 -4.285 16.936 -14.821 1.00 51.00 N ATOM 701 CA ASP A 47 -2.988 16.271 -14.867 1.00 41.40 C ATOM 702 C ASP A 47 -1.938 17.173 -15.509 1.00 22.04 C ATOM 703 O ASP A 47 -2.192 17.807 -16.532 1.00 75.41 O ATOM 704 CB ASP A 47 -3.092 14.957 -15.642 1.00 64.11 C ATOM 705 CG ASP A 47 -1.750 14.267 -15.794 1.00 33.11 C ATOM 706 OD1 ASP A 47 -1.149 13.905 -14.761 1.00 24.31 O ATOM 707 OD2 ASP A 47 -1.302 14.088 -16.946 1.00 15.33 O ATOM 0 H ASP A 47 -5.053 16.388 -15.208 1.00 51.00 H new ATOM 0 HA ASP A 47 -2.680 16.056 -13.844 1.00 41.40 H new ATOM 0 HB2 ASP A 47 -3.784 14.290 -15.129 1.00 64.11 H new ATOM 0 HB3 ASP A 47 -3.511 15.153 -16.629 1.00 64.11 H new ATOM 712 N GLU A 48 -0.758 17.226 -14.899 1.00 22.45 N ATOM 713 CA GLU A 48 0.330 18.052 -15.410 1.00 33.50 C ATOM 714 C GLU A 48 1.257 17.236 -16.306 1.00 24.11 C ATOM 715 O GLU A 48 2.426 17.577 -16.482 1.00 41.12 O ATOM 716 CB GLU A 48 1.125 18.660 -14.253 1.00 41.12 C ATOM 717 CG GLU A 48 0.541 19.962 -13.731 1.00 73.11 C ATOM 718 CD GLU A 48 -0.151 19.795 -12.392 1.00 3.32 C ATOM 719 OE1 GLU A 48 -1.259 19.222 -12.363 1.00 75.11 O ATOM 720 OE2 GLU A 48 0.418 20.239 -11.372 1.00 61.31 O ATOM 0 H GLU A 48 -0.531 16.707 -14.051 1.00 22.45 H new ATOM 0 HA GLU A 48 -0.106 18.856 -16.003 1.00 33.50 H new ATOM 0 HB2 GLU A 48 1.171 17.939 -13.437 1.00 41.12 H new ATOM 0 HB3 GLU A 48 2.150 18.837 -14.581 1.00 41.12 H new ATOM 0 HG2 GLU A 48 1.337 20.700 -13.635 1.00 73.11 H new ATOM 0 HG3 GLU A 48 -0.171 20.354 -14.457 1.00 73.11 H new ATOM 727 N GLY A 49 0.727 16.155 -16.870 1.00 34.25 N ATOM 728 CA GLY A 49 1.520 15.306 -17.740 1.00 0.44 C ATOM 729 C GLY A 49 1.319 15.631 -19.207 1.00 34.35 C ATOM 730 O GLY A 49 2.152 15.290 -20.046 1.00 24.45 O ATOM 0 H GLY A 49 -0.238 15.852 -16.740 1.00 34.25 H new ATOM 0 HA2 GLY A 49 2.575 15.417 -17.488 1.00 0.44 H new ATOM 0 HA3 GLY A 49 1.257 14.263 -17.563 1.00 0.44 H new ATOM 734 N VAL A 50 0.207 16.290 -19.518 1.00 44.50 N ATOM 735 CA VAL A 50 -0.102 16.660 -20.894 1.00 42.40 C ATOM 736 C VAL A 50 0.149 18.145 -21.134 1.00 32.05 C ATOM 737 O VAL A 50 -0.095 18.974 -20.258 1.00 2.32 O ATOM 738 CB VAL A 50 -1.565 16.334 -21.248 1.00 10.44 C ATOM 739 CG1 VAL A 50 -1.803 16.499 -22.741 1.00 30.20 C ATOM 740 CG2 VAL A 50 -1.921 14.927 -20.794 1.00 73.34 C ATOM 0 H VAL A 50 -0.494 16.578 -18.836 1.00 44.50 H new ATOM 0 HA VAL A 50 0.558 16.075 -21.535 1.00 42.40 H new ATOM 0 HB VAL A 50 -2.213 17.035 -20.723 1.00 10.44 H new ATOM 0 HG11 VAL A 50 -2.842 16.264 -22.972 1.00 30.20 H new ATOM 0 HG12 VAL A 50 -1.590 17.528 -23.032 1.00 30.20 H new ATOM 0 HG13 VAL A 50 -1.148 15.823 -23.291 1.00 30.20 H new ATOM 0 HG21 VAL A 50 -2.958 14.713 -21.052 1.00 73.34 H new ATOM 0 HG22 VAL A 50 -1.268 14.209 -21.290 1.00 73.34 H new ATOM 0 HG23 VAL A 50 -1.792 14.850 -19.714 1.00 73.34 H new ATOM 750 N GLU A 51 0.637 18.472 -22.326 1.00 53.40 N ATOM 751 CA GLU A 51 0.921 19.858 -22.680 1.00 55.22 C ATOM 752 C GLU A 51 0.346 20.198 -24.053 1.00 21.44 C ATOM 753 O GLU A 51 0.501 19.436 -25.007 1.00 72.44 O ATOM 754 CB GLU A 51 2.429 20.112 -22.670 1.00 25.31 C ATOM 755 CG GLU A 51 3.050 20.035 -21.285 1.00 61.01 C ATOM 756 CD GLU A 51 3.960 21.211 -20.987 1.00 55.34 C ATOM 757 OE1 GLU A 51 3.442 22.338 -20.838 1.00 35.23 O ATOM 758 OE2 GLU A 51 5.188 21.006 -20.904 1.00 63.24 O ATOM 0 H GLU A 51 0.844 17.797 -23.062 1.00 53.40 H new ATOM 0 HA GLU A 51 0.447 20.500 -21.937 1.00 55.22 H new ATOM 0 HB2 GLU A 51 2.916 19.384 -23.318 1.00 25.31 H new ATOM 0 HB3 GLU A 51 2.626 21.097 -23.093 1.00 25.31 H new ATOM 0 HG2 GLU A 51 2.258 19.995 -20.537 1.00 61.01 H new ATOM 0 HG3 GLU A 51 3.618 19.109 -21.197 1.00 61.01 H new ATOM 765 N ILE A 52 -0.317 21.345 -24.142 1.00 52.43 N ATOM 766 CA ILE A 52 -0.914 21.786 -25.397 1.00 12.01 C ATOM 767 C ILE A 52 -0.148 22.966 -25.986 1.00 31.32 C ATOM 768 O ILE A 52 0.259 23.877 -25.265 1.00 61.31 O ATOM 769 CB ILE A 52 -2.389 22.189 -25.208 1.00 23.21 C ATOM 770 CG1 ILE A 52 -3.273 20.943 -25.117 1.00 3.20 C ATOM 771 CG2 ILE A 52 -2.843 23.085 -26.350 1.00 13.42 C ATOM 772 CD1 ILE A 52 -3.074 20.153 -23.843 1.00 10.15 C ATOM 0 H ILE A 52 -0.455 21.986 -23.361 1.00 52.43 H new ATOM 0 HA ILE A 52 -0.861 20.942 -26.085 1.00 12.01 H new ATOM 0 HB ILE A 52 -2.482 22.746 -24.276 1.00 23.21 H new ATOM 0 HG12 ILE A 52 -4.318 21.243 -25.189 1.00 3.20 H new ATOM 0 HG13 ILE A 52 -3.067 20.298 -25.971 1.00 3.20 H new ATOM 0 HG21 ILE A 52 -3.887 23.361 -26.203 1.00 13.42 H new ATOM 0 HG22 ILE A 52 -2.229 23.985 -26.372 1.00 13.42 H new ATOM 0 HG23 ILE A 52 -2.739 22.551 -27.295 1.00 13.42 H new ATOM 0 HD11 ILE A 52 -3.732 19.284 -23.847 1.00 10.15 H new ATOM 0 HD12 ILE A 52 -2.037 19.822 -23.778 1.00 10.15 H new ATOM 0 HD13 ILE A 52 -3.309 20.782 -22.984 1.00 10.15 H new ATOM 784 N SER A 53 0.043 22.943 -27.301 1.00 61.10 N ATOM 785 CA SER A 53 0.762 24.010 -27.988 1.00 21.35 C ATOM 786 C SER A 53 -0.114 24.654 -29.058 1.00 63.51 C ATOM 787 O SER A 53 -0.967 23.998 -29.655 1.00 43.21 O ATOM 788 CB SER A 53 2.044 23.464 -28.621 1.00 14.42 C ATOM 789 OG SER A 53 3.192 24.050 -28.032 1.00 62.52 O ATOM 0 H SER A 53 -0.290 22.197 -27.912 1.00 61.10 H new ATOM 0 HA SER A 53 1.024 24.771 -27.253 1.00 21.35 H new ATOM 0 HB2 SER A 53 2.081 22.381 -28.499 1.00 14.42 H new ATOM 0 HB3 SER A 53 2.038 23.664 -29.692 1.00 14.42 H new ATOM 0 HG SER A 53 3.998 23.684 -28.452 1.00 62.52 H new ATOM 795 N GLY A 54 0.105 25.944 -29.295 1.00 75.55 N ATOM 796 CA GLY A 54 -0.672 26.656 -30.293 1.00 62.25 C ATOM 797 C GLY A 54 -1.748 27.527 -29.677 1.00 53.12 C ATOM 798 O GLY A 54 -2.268 28.436 -30.326 1.00 21.24 O ATOM 0 H GLY A 54 0.806 26.508 -28.814 1.00 75.55 H new ATOM 0 HA2 GLY A 54 -0.006 27.276 -30.893 1.00 62.25 H new ATOM 0 HA3 GLY A 54 -1.134 25.937 -30.970 1.00 62.25 H new ATOM 802 N TYR A 55 -2.086 27.249 -28.423 1.00 5.52 N ATOM 803 CA TYR A 55 -3.110 28.012 -27.720 1.00 55.22 C ATOM 804 C TYR A 55 -2.534 29.307 -27.154 1.00 73.43 C ATOM 805 O TYR A 55 -1.544 29.291 -26.424 1.00 4.05 O ATOM 806 CB TYR A 55 -3.716 27.175 -26.593 1.00 31.43 C ATOM 807 CG TYR A 55 -4.625 27.961 -25.675 1.00 50.03 C ATOM 808 CD1 TYR A 55 -4.111 28.667 -24.594 1.00 71.22 C ATOM 809 CD2 TYR A 55 -5.997 27.998 -25.889 1.00 34.44 C ATOM 810 CE1 TYR A 55 -4.938 29.386 -23.753 1.00 4.12 C ATOM 811 CE2 TYR A 55 -6.831 28.715 -25.053 1.00 52.54 C ATOM 812 CZ TYR A 55 -6.297 29.408 -23.987 1.00 22.22 C ATOM 813 OH TYR A 55 -7.124 30.123 -23.152 1.00 32.13 O ATOM 0 H TYR A 55 -1.666 26.500 -27.872 1.00 5.52 H new ATOM 0 HA TYR A 55 -3.892 28.266 -28.436 1.00 55.22 H new ATOM 0 HB2 TYR A 55 -4.279 26.349 -27.028 1.00 31.43 H new ATOM 0 HB3 TYR A 55 -2.910 26.736 -26.004 1.00 31.43 H new ATOM 0 HD1 TYR A 55 -3.047 28.653 -24.408 1.00 71.22 H new ATOM 0 HD2 TYR A 55 -6.419 27.457 -26.723 1.00 34.44 H new ATOM 0 HE1 TYR A 55 -4.522 29.928 -22.916 1.00 4.12 H new ATOM 0 HE2 TYR A 55 -7.896 28.733 -25.233 1.00 52.54 H new ATOM 0 HH TYR A 55 -7.849 30.524 -23.675 1.00 32.13 H new ATOM 823 N ASP A 56 -3.163 30.426 -27.497 1.00 63.42 N ATOM 824 CA ASP A 56 -2.715 31.730 -27.023 1.00 31.01 C ATOM 825 C ASP A 56 -3.669 32.281 -25.968 1.00 1.15 C ATOM 826 O ASP A 56 -4.760 32.751 -26.288 1.00 34.52 O ATOM 827 CB ASP A 56 -2.605 32.711 -28.191 1.00 54.11 C ATOM 828 CG ASP A 56 -1.170 33.094 -28.493 1.00 62.51 C ATOM 829 OD1 ASP A 56 -0.483 32.318 -29.191 1.00 52.34 O ATOM 830 OD2 ASP A 56 -0.733 34.168 -28.032 1.00 11.52 O ATOM 0 H ASP A 56 -3.984 30.456 -28.101 1.00 63.42 H new ATOM 0 HA ASP A 56 -1.732 31.606 -26.569 1.00 31.01 H new ATOM 0 HB2 ASP A 56 -3.054 32.266 -29.079 1.00 54.11 H new ATOM 0 HB3 ASP A 56 -3.177 33.610 -27.962 1.00 54.11 H new ATOM 835 N ALA A 57 -3.249 32.219 -24.708 1.00 53.20 N ATOM 836 CA ALA A 57 -4.066 32.713 -23.606 1.00 25.32 C ATOM 837 C ALA A 57 -4.456 34.171 -23.822 1.00 22.13 C ATOM 838 O ALA A 57 -5.450 34.644 -23.273 1.00 34.15 O ATOM 839 CB ALA A 57 -3.324 32.553 -22.287 1.00 21.50 C ATOM 0 H ALA A 57 -2.349 31.832 -24.425 1.00 53.20 H new ATOM 0 HA ALA A 57 -4.981 32.121 -23.570 1.00 25.32 H new ATOM 0 HB1 ALA A 57 -3.945 32.926 -21.473 1.00 21.50 H new ATOM 0 HB2 ALA A 57 -3.101 31.499 -22.120 1.00 21.50 H new ATOM 0 HB3 ALA A 57 -2.393 33.119 -22.322 1.00 21.50 H new ATOM 845 N GLN A 58 -3.666 34.878 -24.624 1.00 30.51 N ATOM 846 CA GLN A 58 -3.929 36.283 -24.910 1.00 75.33 C ATOM 847 C GLN A 58 -5.034 36.428 -25.952 1.00 42.21 C ATOM 848 O GLN A 58 -5.738 37.437 -25.990 1.00 1.54 O ATOM 849 CB GLN A 58 -2.655 36.973 -25.401 1.00 34.33 C ATOM 850 CG GLN A 58 -2.434 38.347 -24.789 1.00 64.32 C ATOM 851 CD GLN A 58 -1.619 38.292 -23.512 1.00 11.42 C ATOM 852 OE1 GLN A 58 -0.398 38.447 -23.534 1.00 24.13 O ATOM 853 NE2 GLN A 58 -2.293 38.072 -22.389 1.00 4.12 N ATOM 0 H GLN A 58 -2.839 34.501 -25.087 1.00 30.51 H new ATOM 0 HA GLN A 58 -4.259 36.760 -23.987 1.00 75.33 H new ATOM 0 HB2 GLN A 58 -1.798 36.340 -25.172 1.00 34.33 H new ATOM 0 HB3 GLN A 58 -2.699 37.070 -26.486 1.00 34.33 H new ATOM 0 HG2 GLN A 58 -1.927 38.985 -25.512 1.00 64.32 H new ATOM 0 HG3 GLN A 58 -3.400 38.807 -24.580 1.00 64.32 H new ATOM 0 HE21 GLN A 58 -3.305 37.949 -22.417 1.00 4.12 H new ATOM 0 HE22 GLN A 58 -1.798 38.026 -21.498 1.00 4.12 H new ATOM 862 N LYS A 59 -5.180 35.414 -26.798 1.00 30.44 N ATOM 863 CA LYS A 59 -6.199 35.427 -27.840 1.00 71.23 C ATOM 864 C LYS A 59 -6.351 34.046 -28.470 1.00 33.22 C ATOM 865 O LYS A 59 -5.364 33.358 -28.729 1.00 65.45 O ATOM 866 CB LYS A 59 -5.843 36.454 -28.918 1.00 25.44 C ATOM 867 CG LYS A 59 -6.550 37.787 -28.745 1.00 60.44 C ATOM 868 CD LYS A 59 -5.563 38.942 -28.717 1.00 34.11 C ATOM 869 CE LYS A 59 -6.234 40.257 -29.084 1.00 32.22 C ATOM 870 NZ LYS A 59 -6.075 40.576 -30.530 1.00 0.35 N ATOM 0 H LYS A 59 -4.605 34.572 -26.782 1.00 30.44 H new ATOM 0 HA LYS A 59 -7.148 35.705 -27.381 1.00 71.23 H new ATOM 0 HB2 LYS A 59 -4.766 36.620 -28.909 1.00 25.44 H new ATOM 0 HB3 LYS A 59 -6.094 36.043 -29.896 1.00 25.44 H new ATOM 0 HG2 LYS A 59 -7.259 37.933 -29.560 1.00 60.44 H new ATOM 0 HG3 LYS A 59 -7.126 37.777 -27.820 1.00 60.44 H new ATOM 0 HD2 LYS A 59 -5.123 39.022 -27.723 1.00 34.11 H new ATOM 0 HD3 LYS A 59 -4.747 38.742 -29.412 1.00 34.11 H new ATOM 0 HE2 LYS A 59 -7.295 40.205 -28.838 1.00 32.22 H new ATOM 0 HE3 LYS A 59 -5.807 41.062 -28.485 1.00 32.22 H new ATOM 0 HZ1 LYS A 59 -6.546 41.479 -30.740 1.00 0.35 H new ATOM 0 HZ2 LYS A 59 -5.063 40.651 -30.760 1.00 0.35 H new ATOM 0 HZ3 LYS A 59 -6.505 39.821 -31.101 1.00 0.35 H new ATOM 884 N THR A 60 -7.595 33.646 -28.715 1.00 33.33 N ATOM 885 CA THR A 60 -7.877 32.347 -29.314 1.00 45.41 C ATOM 886 C THR A 60 -8.537 32.503 -30.679 1.00 41.41 C ATOM 887 O THR A 60 -7.883 32.380 -31.714 1.00 21.42 O ATOM 888 CB THR A 60 -8.788 31.497 -28.410 1.00 31.33 C ATOM 889 OG1 THR A 60 -9.720 32.339 -27.722 1.00 5.12 O ATOM 890 CG2 THR A 60 -7.966 30.710 -27.400 1.00 34.12 C ATOM 0 H THR A 60 -8.424 34.203 -28.508 1.00 33.33 H new ATOM 0 HA THR A 60 -6.920 31.839 -29.432 1.00 45.41 H new ATOM 0 HB THR A 60 -9.332 30.793 -29.040 1.00 31.33 H new ATOM 0 HG1 THR A 60 -9.457 32.417 -26.781 1.00 5.12 H new ATOM 0 HG21 THR A 60 -8.631 30.117 -26.772 1.00 34.12 H new ATOM 0 HG22 THR A 60 -7.279 30.048 -27.927 1.00 34.12 H new ATOM 0 HG23 THR A 60 -7.398 31.400 -26.776 1.00 34.12 H new ATOM 898 N GLY A 61 -9.838 32.777 -30.674 1.00 71.03 N ATOM 899 CA GLY A 61 -10.565 32.946 -31.919 1.00 12.12 C ATOM 900 C GLY A 61 -10.202 31.896 -32.950 1.00 1.11 C ATOM 901 O GLY A 61 -9.491 32.182 -33.913 1.00 45.41 O ATOM 0 H GLY A 61 -10.401 32.885 -29.831 1.00 71.03 H new ATOM 0 HA2 GLY A 61 -11.636 32.900 -31.720 1.00 12.12 H new ATOM 0 HA3 GLY A 61 -10.358 33.936 -32.325 1.00 12.12 H new ATOM 905 N ARG A 62 -10.690 30.677 -32.747 1.00 64.45 N ATOM 906 CA ARG A 62 -10.410 29.580 -33.666 1.00 24.51 C ATOM 907 C ARG A 62 -8.920 29.250 -33.681 1.00 22.45 C ATOM 908 O ARG A 62 -8.309 29.146 -34.744 1.00 25.45 O ATOM 909 CB ARG A 62 -10.878 29.936 -35.078 1.00 3.21 C ATOM 910 CG ARG A 62 -11.323 28.734 -35.894 1.00 31.41 C ATOM 911 CD ARG A 62 -10.463 28.553 -37.135 1.00 30.12 C ATOM 912 NE ARG A 62 -11.033 29.226 -38.299 1.00 34.22 N ATOM 913 CZ ARG A 62 -10.420 29.308 -39.474 1.00 61.42 C ATOM 914 NH1 ARG A 62 -9.223 28.761 -39.641 1.00 14.23 N ATOM 915 NH2 ARG A 62 -11.004 29.937 -40.486 1.00 64.32 N ATOM 0 H ARG A 62 -11.281 30.424 -31.955 1.00 64.45 H new ATOM 0 HA ARG A 62 -10.956 28.702 -33.320 1.00 24.51 H new ATOM 0 HB2 ARG A 62 -11.704 30.644 -35.010 1.00 3.21 H new ATOM 0 HB3 ARG A 62 -10.068 30.441 -35.604 1.00 3.21 H new ATOM 0 HG2 ARG A 62 -11.270 27.836 -35.279 1.00 31.41 H new ATOM 0 HG3 ARG A 62 -12.365 28.858 -36.187 1.00 31.41 H new ATOM 0 HD2 ARG A 62 -9.464 28.944 -36.944 1.00 30.12 H new ATOM 0 HD3 ARG A 62 -10.354 27.490 -37.348 1.00 30.12 H new ATOM 0 HE ARG A 62 -11.953 29.657 -38.204 1.00 34.22 H new ATOM 0 HH11 ARG A 62 -8.771 28.276 -38.866 1.00 14.23 H new ATOM 0 HH12 ARG A 62 -8.754 28.825 -40.545 1.00 14.23 H new ATOM 0 HH21 ARG A 62 -11.925 30.358 -40.362 1.00 64.32 H new ATOM 0 HH22 ARG A 62 -10.532 29.999 -41.388 1.00 64.32 H new ATOM 929 N GLN A 63 -8.343 29.087 -32.494 1.00 53.11 N ATOM 930 CA GLN A 63 -6.925 28.770 -32.371 1.00 53.43 C ATOM 931 C GLN A 63 -6.703 27.262 -32.362 1.00 33.40 C ATOM 932 O GLN A 63 -7.542 26.502 -31.875 1.00 3.43 O ATOM 933 CB GLN A 63 -6.351 29.390 -31.096 1.00 52.21 C ATOM 934 CG GLN A 63 -4.971 29.999 -31.284 1.00 10.15 C ATOM 935 CD GLN A 63 -5.023 31.387 -31.890 1.00 50.43 C ATOM 936 OE1 GLN A 63 -5.068 32.389 -31.175 1.00 71.31 O ATOM 937 NE2 GLN A 63 -5.017 31.455 -33.216 1.00 61.35 N ATOM 0 H GLN A 63 -8.836 29.169 -31.605 1.00 53.11 H new ATOM 0 HA GLN A 63 -6.409 29.189 -33.235 1.00 53.43 H new ATOM 0 HB2 GLN A 63 -7.033 30.161 -30.738 1.00 52.21 H new ATOM 0 HB3 GLN A 63 -6.299 28.625 -30.321 1.00 52.21 H new ATOM 0 HG2 GLN A 63 -4.465 30.046 -30.320 1.00 10.15 H new ATOM 0 HG3 GLN A 63 -4.376 29.349 -31.925 1.00 10.15 H new ATOM 0 HE21 GLN A 63 -4.979 30.600 -33.770 1.00 61.35 H new ATOM 0 HE22 GLN A 63 -5.050 32.363 -33.680 1.00 61.35 H new ATOM 946 N THR A 64 -5.568 26.832 -32.904 1.00 70.13 N ATOM 947 CA THR A 64 -5.236 25.414 -32.960 1.00 32.11 C ATOM 948 C THR A 64 -4.565 24.955 -31.670 1.00 52.24 C ATOM 949 O THR A 64 -3.804 25.703 -31.054 1.00 73.14 O ATOM 950 CB THR A 64 -4.308 25.100 -34.148 1.00 45.42 C ATOM 951 OG1 THR A 64 -4.977 25.386 -35.382 1.00 4.15 O ATOM 952 CG2 THR A 64 -3.874 23.642 -34.126 1.00 52.43 C ATOM 0 H THR A 64 -4.863 27.446 -33.311 1.00 70.13 H new ATOM 0 HA THR A 64 -6.174 24.875 -33.090 1.00 32.11 H new ATOM 0 HB THR A 64 -3.421 25.727 -34.063 1.00 45.42 H new ATOM 0 HG1 THR A 64 -4.379 25.185 -36.132 1.00 4.15 H new ATOM 0 HG21 THR A 64 -3.219 23.444 -34.975 1.00 52.43 H new ATOM 0 HG22 THR A 64 -3.339 23.436 -33.199 1.00 52.43 H new ATOM 0 HG23 THR A 64 -4.753 23.000 -34.188 1.00 52.43 H new ATOM 960 N LEU A 65 -4.850 23.722 -31.267 1.00 14.22 N ATOM 961 CA LEU A 65 -4.273 23.163 -30.049 1.00 72.24 C ATOM 962 C LEU A 65 -3.843 21.715 -30.266 1.00 12.53 C ATOM 963 O LEU A 65 -4.570 20.923 -30.867 1.00 2.14 O ATOM 964 CB LEU A 65 -5.281 23.241 -28.901 1.00 4.30 C ATOM 965 CG LEU A 65 -5.736 24.646 -28.502 1.00 63.42 C ATOM 966 CD1 LEU A 65 -6.824 25.141 -29.442 1.00 1.00 C ATOM 967 CD2 LEU A 65 -6.226 24.658 -27.062 1.00 11.33 C ATOM 0 H LEU A 65 -5.477 23.090 -31.765 1.00 14.22 H new ATOM 0 HA LEU A 65 -3.392 23.750 -29.791 1.00 72.24 H new ATOM 0 HB2 LEU A 65 -6.161 22.660 -29.177 1.00 4.30 H new ATOM 0 HB3 LEU A 65 -4.843 22.760 -28.026 1.00 4.30 H new ATOM 0 HG LEU A 65 -4.883 25.320 -28.580 1.00 63.42 H new ATOM 0 HD11 LEU A 65 -7.135 26.142 -29.143 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -6.439 25.170 -30.461 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -7.679 24.466 -29.396 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -6.546 25.665 -26.795 1.00 11.33 H new ATOM 0 HD22 LEU A 65 -7.066 23.971 -26.958 1.00 11.33 H new ATOM 0 HD23 LEU A 65 -5.418 24.346 -26.400 1.00 11.33 H new ATOM 979 N THR A 66 -2.657 21.375 -29.770 1.00 54.31 N ATOM 980 CA THR A 66 -2.131 20.023 -29.908 1.00 3.40 C ATOM 981 C THR A 66 -1.596 19.503 -28.578 1.00 53.35 C ATOM 982 O THR A 66 -0.548 19.943 -28.104 1.00 63.34 O ATOM 983 CB THR A 66 -1.006 19.963 -30.959 1.00 74.12 C ATOM 984 OG1 THR A 66 -0.710 21.280 -31.436 1.00 53.21 O ATOM 985 CG2 THR A 66 -1.405 19.073 -32.127 1.00 24.11 C ATOM 0 H THR A 66 -2.043 22.018 -29.269 1.00 54.31 H new ATOM 0 HA THR A 66 -2.958 19.393 -30.235 1.00 3.40 H new ATOM 0 HB THR A 66 -0.119 19.541 -30.486 1.00 74.12 H new ATOM 0 HG1 THR A 66 0.007 21.233 -32.102 1.00 53.21 H new ATOM 0 HG21 THR A 66 -0.596 19.046 -32.857 1.00 24.11 H new ATOM 0 HG22 THR A 66 -1.602 18.064 -31.765 1.00 24.11 H new ATOM 0 HG23 THR A 66 -2.304 19.471 -32.597 1.00 24.11 H new ATOM 993 N LEU A 67 -2.322 18.565 -27.981 1.00 33.11 N ATOM 994 CA LEU A 67 -1.920 17.984 -26.705 1.00 33.53 C ATOM 995 C LEU A 67 -1.107 16.711 -26.918 1.00 71.22 C ATOM 996 O LEU A 67 -1.529 15.805 -27.638 1.00 14.03 O ATOM 997 CB LEU A 67 -3.152 17.678 -25.851 1.00 0.15 C ATOM 998 CG LEU A 67 -3.877 16.368 -26.162 1.00 42.20 C ATOM 999 CD1 LEU A 67 -3.285 15.225 -25.352 1.00 52.11 C ATOM 1000 CD2 LEU A 67 -5.367 16.505 -25.886 1.00 31.42 C ATOM 0 H LEU A 67 -3.192 18.190 -28.360 1.00 33.11 H new ATOM 0 HA LEU A 67 -1.295 18.710 -26.185 1.00 33.53 H new ATOM 0 HB2 LEU A 67 -2.849 17.662 -24.804 1.00 0.15 H new ATOM 0 HB3 LEU A 67 -3.861 18.498 -25.965 1.00 0.15 H new ATOM 0 HG LEU A 67 -3.743 16.143 -27.220 1.00 42.20 H new ATOM 0 HD11 LEU A 67 -3.814 14.301 -25.586 1.00 52.11 H new ATOM 0 HD12 LEU A 67 -2.229 15.112 -25.600 1.00 52.11 H new ATOM 0 HD13 LEU A 67 -3.387 15.442 -24.289 1.00 52.11 H new ATOM 0 HD21 LEU A 67 -5.867 15.563 -26.113 1.00 31.42 H new ATOM 0 HD22 LEU A 67 -5.521 16.754 -24.836 1.00 31.42 H new ATOM 0 HD23 LEU A 67 -5.782 17.296 -26.511 1.00 31.42 H new ATOM 1012 N HIS A 68 0.061 16.648 -26.287 1.00 12.04 N ATOM 1013 CA HIS A 68 0.932 15.485 -26.405 1.00 65.51 C ATOM 1014 C HIS A 68 1.251 14.902 -25.031 1.00 51.13 C ATOM 1015 O HIS A 68 1.731 15.607 -24.143 1.00 55.12 O ATOM 1016 CB HIS A 68 2.228 15.862 -27.124 1.00 53.34 C ATOM 1017 CG HIS A 68 2.106 15.861 -28.617 1.00 51.42 C ATOM 1018 ND1 HIS A 68 1.387 16.810 -29.314 1.00 61.52 N ATOM 1019 CD2 HIS A 68 2.618 15.021 -29.547 1.00 2.43 C ATOM 1020 CE1 HIS A 68 1.461 16.552 -30.608 1.00 20.42 C ATOM 1021 NE2 HIS A 68 2.203 15.472 -30.776 1.00 32.34 N ATOM 0 H HIS A 68 0.426 17.389 -25.689 1.00 12.04 H new ATOM 0 HA HIS A 68 0.408 14.728 -26.989 1.00 65.51 H new ATOM 0 HB2 HIS A 68 2.542 16.852 -26.794 1.00 53.34 H new ATOM 0 HB3 HIS A 68 3.013 15.164 -26.831 1.00 53.34 H new ATOM 0 HD2 HIS A 68 3.238 14.157 -29.358 1.00 2.43 H new ATOM 0 HE1 HIS A 68 0.994 17.126 -31.394 1.00 20.42 H new ATOM 0 HE2 HIS A 68 2.431 15.043 -31.673 1.00 32.34 H new ATOM 1029 N TYR A 69 0.980 13.612 -24.864 1.00 4.41 N ATOM 1030 CA TYR A 69 1.235 12.936 -23.597 1.00 41.25 C ATOM 1031 C TYR A 69 1.783 11.532 -23.830 1.00 64.34 C ATOM 1032 O TYR A 69 1.107 10.677 -24.402 1.00 12.12 O ATOM 1033 CB TYR A 69 -0.047 12.864 -22.767 1.00 74.20 C ATOM 1034 CG TYR A 69 0.159 12.290 -21.383 1.00 52.42 C ATOM 1035 CD1 TYR A 69 1.301 12.589 -20.650 1.00 34.34 C ATOM 1036 CD2 TYR A 69 -0.787 11.450 -20.810 1.00 32.12 C ATOM 1037 CE1 TYR A 69 1.494 12.067 -19.385 1.00 73.31 C ATOM 1038 CE2 TYR A 69 -0.603 10.925 -19.546 1.00 31.45 C ATOM 1039 CZ TYR A 69 0.539 11.236 -18.837 1.00 71.33 C ATOM 1040 OH TYR A 69 0.727 10.713 -17.578 1.00 53.22 O ATOM 0 H TYR A 69 0.584 13.014 -25.589 1.00 4.41 H new ATOM 0 HA TYR A 69 1.982 13.512 -23.050 1.00 41.25 H new ATOM 0 HB2 TYR A 69 -0.468 13.865 -22.677 1.00 74.20 H new ATOM 0 HB3 TYR A 69 -0.780 12.256 -23.298 1.00 74.20 H new ATOM 0 HD1 TYR A 69 2.050 13.240 -21.076 1.00 34.34 H new ATOM 0 HD2 TYR A 69 -1.682 11.203 -21.362 1.00 32.12 H new ATOM 0 HE1 TYR A 69 2.388 12.308 -18.829 1.00 73.31 H new ATOM 0 HE2 TYR A 69 -1.349 10.274 -19.115 1.00 31.45 H new ATOM 0 HH TYR A 69 -0.039 10.149 -17.340 1.00 53.22 H new ATOM 1050 N GLN A 70 3.014 11.302 -23.383 1.00 14.03 N ATOM 1051 CA GLN A 70 3.654 10.002 -23.542 1.00 74.41 C ATOM 1052 C GLN A 70 3.887 9.687 -25.016 1.00 22.20 C ATOM 1053 O GLN A 70 4.979 9.899 -25.541 1.00 24.21 O ATOM 1054 CB GLN A 70 2.797 8.907 -22.904 1.00 22.50 C ATOM 1055 CG GLN A 70 3.304 8.453 -21.544 1.00 53.03 C ATOM 1056 CD GLN A 70 4.058 7.140 -21.611 1.00 21.22 C ATOM 1057 OE1 GLN A 70 5.119 7.050 -22.230 1.00 55.43 O ATOM 1058 NE2 GLN A 70 3.514 6.111 -20.971 1.00 41.20 N ATOM 0 H GLN A 70 3.587 11.999 -22.908 1.00 14.03 H new ATOM 0 HA GLN A 70 4.620 10.037 -23.039 1.00 74.41 H new ATOM 0 HB2 GLN A 70 1.775 9.272 -22.798 1.00 22.50 H new ATOM 0 HB3 GLN A 70 2.761 8.048 -23.574 1.00 22.50 H new ATOM 0 HG2 GLN A 70 3.956 9.221 -21.129 1.00 53.03 H new ATOM 0 HG3 GLN A 70 2.460 8.349 -20.862 1.00 53.03 H new ATOM 0 HE21 GLN A 70 2.633 6.230 -20.470 1.00 41.20 H new ATOM 0 HE22 GLN A 70 3.977 5.202 -20.980 1.00 41.20 H new ATOM 1067 N GLY A 71 2.853 9.179 -25.679 1.00 35.21 N ATOM 1068 CA GLY A 71 2.966 8.842 -27.086 1.00 50.41 C ATOM 1069 C GLY A 71 1.683 9.105 -27.850 1.00 64.31 C ATOM 1070 O GLY A 71 1.539 8.683 -28.998 1.00 52.42 O ATOM 0 H GLY A 71 1.938 8.995 -25.267 1.00 35.21 H new ATOM 0 HA2 GLY A 71 3.775 9.421 -27.531 1.00 50.41 H new ATOM 0 HA3 GLY A 71 3.235 7.790 -27.184 1.00 50.41 H new ATOM 1074 N HIS A 72 0.748 9.802 -27.212 1.00 62.42 N ATOM 1075 CA HIS A 72 -0.530 10.119 -27.839 1.00 60.42 C ATOM 1076 C HIS A 72 -0.630 11.610 -28.146 1.00 23.12 C ATOM 1077 O HIS A 72 -0.215 12.446 -27.344 1.00 45.24 O ATOM 1078 CB HIS A 72 -1.686 9.694 -26.933 1.00 22.01 C ATOM 1079 CG HIS A 72 -1.963 8.222 -26.965 1.00 4.41 C ATOM 1080 ND1 HIS A 72 -1.276 7.310 -26.191 1.00 40.45 N ATOM 1081 CD2 HIS A 72 -2.859 7.506 -27.682 1.00 72.42 C ATOM 1082 CE1 HIS A 72 -1.737 6.096 -26.433 1.00 1.21 C ATOM 1083 NE2 HIS A 72 -2.699 6.187 -27.334 1.00 2.14 N ATOM 0 H HIS A 72 0.851 10.158 -26.262 1.00 62.42 H new ATOM 0 HA HIS A 72 -0.593 9.568 -28.777 1.00 60.42 H new ATOM 0 HB2 HIS A 72 -1.462 9.991 -25.908 1.00 22.01 H new ATOM 0 HB3 HIS A 72 -2.586 10.231 -27.231 1.00 22.01 H new ATOM 0 HD2 HIS A 72 -3.568 7.899 -28.396 1.00 72.42 H new ATOM 0 HE1 HIS A 72 -1.387 5.184 -25.973 1.00 1.21 H new ATOM 0 HE2 HIS A 72 -3.235 5.405 -27.710 1.00 2.14 H new ATOM 1091 N GLU A 73 -1.182 11.934 -29.311 1.00 10.13 N ATOM 1092 CA GLU A 73 -1.334 13.325 -29.723 1.00 30.35 C ATOM 1093 C GLU A 73 -2.751 13.592 -30.222 1.00 43.34 C ATOM 1094 O GLU A 73 -3.313 12.803 -30.982 1.00 44.11 O ATOM 1095 CB GLU A 73 -0.322 13.669 -30.817 1.00 4.21 C ATOM 1096 CG GLU A 73 -0.534 12.897 -32.108 1.00 34.31 C ATOM 1097 CD GLU A 73 0.602 13.085 -33.094 1.00 72.13 C ATOM 1098 OE1 GLU A 73 1.774 12.979 -32.677 1.00 70.03 O ATOM 1099 OE2 GLU A 73 0.318 13.338 -34.284 1.00 71.20 O ATOM 0 H GLU A 73 -1.531 11.253 -29.986 1.00 10.13 H new ATOM 0 HA GLU A 73 -1.148 13.958 -28.855 1.00 30.35 H new ATOM 0 HB2 GLU A 73 -0.378 14.737 -31.029 1.00 4.21 H new ATOM 0 HB3 GLU A 73 0.683 13.470 -30.446 1.00 4.21 H new ATOM 0 HG2 GLU A 73 -0.640 11.836 -31.879 1.00 34.31 H new ATOM 0 HG3 GLU A 73 -1.468 13.218 -32.570 1.00 34.31 H new ATOM 1106 N VAL A 74 -3.323 14.711 -29.790 1.00 11.32 N ATOM 1107 CA VAL A 74 -4.674 15.085 -30.193 1.00 23.51 C ATOM 1108 C VAL A 74 -4.732 16.542 -30.636 1.00 10.23 C ATOM 1109 O VAL A 74 -4.063 17.403 -30.064 1.00 24.40 O ATOM 1110 CB VAL A 74 -5.681 14.866 -29.049 1.00 14.22 C ATOM 1111 CG1 VAL A 74 -7.106 15.039 -29.552 1.00 35.31 C ATOM 1112 CG2 VAL A 74 -5.490 13.492 -28.426 1.00 20.33 C ATOM 0 H VAL A 74 -2.872 15.375 -29.161 1.00 11.32 H new ATOM 0 HA VAL A 74 -4.944 14.443 -31.032 1.00 23.51 H new ATOM 0 HB VAL A 74 -5.499 15.616 -28.280 1.00 14.22 H new ATOM 0 HG11 VAL A 74 -7.804 14.881 -28.730 1.00 35.31 H new ATOM 0 HG12 VAL A 74 -7.233 16.047 -29.946 1.00 35.31 H new ATOM 0 HG13 VAL A 74 -7.304 14.313 -30.341 1.00 35.31 H new ATOM 0 HG21 VAL A 74 -6.210 13.355 -27.619 1.00 20.33 H new ATOM 0 HG22 VAL A 74 -5.644 12.724 -29.184 1.00 20.33 H new ATOM 0 HG23 VAL A 74 -4.479 13.411 -28.027 1.00 20.33 H new ATOM 1122 N SER A 75 -5.538 16.813 -31.658 1.00 23.33 N ATOM 1123 CA SER A 75 -5.682 18.167 -32.180 1.00 65.51 C ATOM 1124 C SER A 75 -7.112 18.667 -32.007 1.00 35.53 C ATOM 1125 O SER A 75 -8.069 17.901 -32.127 1.00 61.43 O ATOM 1126 CB SER A 75 -5.290 18.210 -33.658 1.00 63.23 C ATOM 1127 OG SER A 75 -6.359 17.780 -34.482 1.00 74.13 O ATOM 0 H SER A 75 -6.101 16.113 -32.141 1.00 23.33 H new ATOM 0 HA SER A 75 -5.017 18.820 -31.615 1.00 65.51 H new ATOM 0 HB2 SER A 75 -5.002 19.225 -33.931 1.00 63.23 H new ATOM 0 HB3 SER A 75 -4.420 17.575 -33.825 1.00 63.23 H new ATOM 0 HG SER A 75 -6.084 17.818 -35.422 1.00 74.13 H new ATOM 1133 N PHE A 76 -7.251 19.957 -31.723 1.00 11.32 N ATOM 1134 CA PHE A 76 -8.565 20.561 -31.531 1.00 44.25 C ATOM 1135 C PHE A 76 -8.500 22.074 -31.716 1.00 44.51 C ATOM 1136 O PHE A 76 -7.419 22.649 -31.847 1.00 25.24 O ATOM 1137 CB PHE A 76 -9.104 20.229 -30.139 1.00 33.32 C ATOM 1138 CG PHE A 76 -10.299 19.318 -30.160 1.00 44.14 C ATOM 1139 CD1 PHE A 76 -11.558 19.813 -30.456 1.00 55.31 C ATOM 1140 CD2 PHE A 76 -10.161 17.967 -29.885 1.00 54.15 C ATOM 1141 CE1 PHE A 76 -12.659 18.978 -30.476 1.00 31.42 C ATOM 1142 CE2 PHE A 76 -11.258 17.126 -29.904 1.00 54.51 C ATOM 1143 CZ PHE A 76 -12.509 17.632 -30.201 1.00 2.43 C ATOM 0 H PHE A 76 -6.470 20.605 -31.621 1.00 11.32 H new ATOM 0 HA PHE A 76 -9.240 20.149 -32.282 1.00 44.25 H new ATOM 0 HB2 PHE A 76 -8.312 19.763 -29.553 1.00 33.32 H new ATOM 0 HB3 PHE A 76 -9.372 21.156 -29.632 1.00 33.32 H new ATOM 0 HD1 PHE A 76 -11.681 20.864 -30.674 1.00 55.31 H new ATOM 0 HD2 PHE A 76 -9.185 17.566 -29.653 1.00 54.15 H new ATOM 0 HE1 PHE A 76 -13.636 19.377 -30.706 1.00 31.42 H new ATOM 0 HE2 PHE A 76 -11.137 16.075 -29.687 1.00 54.51 H new ATOM 0 HZ PHE A 76 -13.368 16.977 -30.218 1.00 2.43 H new ATOM 1153 N ASP A 77 -9.664 22.714 -31.727 1.00 32.54 N ATOM 1154 CA ASP A 77 -9.741 24.160 -31.895 1.00 10.12 C ATOM 1155 C ASP A 77 -10.403 24.813 -30.686 1.00 11.34 C ATOM 1156 O ASP A 77 -11.246 24.208 -30.023 1.00 62.43 O ATOM 1157 CB ASP A 77 -10.517 24.507 -33.166 1.00 75.41 C ATOM 1158 CG ASP A 77 -10.152 23.607 -34.331 1.00 14.23 C ATOM 1159 OD1 ASP A 77 -9.039 23.764 -34.876 1.00 33.35 O ATOM 1160 OD2 ASP A 77 -10.979 22.746 -34.697 1.00 13.32 O ATOM 0 H ASP A 77 -10.568 22.253 -31.621 1.00 32.54 H new ATOM 0 HA ASP A 77 -8.725 24.545 -31.983 1.00 10.12 H new ATOM 0 HB2 ASP A 77 -11.586 24.426 -32.969 1.00 75.41 H new ATOM 0 HB3 ASP A 77 -10.320 25.544 -33.437 1.00 75.41 H new ATOM 1165 N VAL A 78 -10.015 26.053 -30.403 1.00 32.25 N ATOM 1166 CA VAL A 78 -10.571 26.789 -29.273 1.00 62.41 C ATOM 1167 C VAL A 78 -11.284 28.053 -29.738 1.00 73.04 C ATOM 1168 O VAL A 78 -10.863 28.699 -30.698 1.00 42.55 O ATOM 1169 CB VAL A 78 -9.476 27.173 -28.261 1.00 2.45 C ATOM 1170 CG1 VAL A 78 -8.352 27.931 -28.951 1.00 53.40 C ATOM 1171 CG2 VAL A 78 -10.066 27.996 -27.125 1.00 40.01 C ATOM 0 H VAL A 78 -9.318 26.569 -30.940 1.00 32.25 H new ATOM 0 HA VAL A 78 -11.289 26.129 -28.787 1.00 62.41 H new ATOM 0 HB VAL A 78 -9.059 26.259 -27.839 1.00 2.45 H new ATOM 0 HG11 VAL A 78 -7.588 28.194 -28.220 1.00 53.40 H new ATOM 0 HG12 VAL A 78 -7.912 27.303 -29.726 1.00 53.40 H new ATOM 0 HG13 VAL A 78 -8.750 28.840 -29.403 1.00 53.40 H new ATOM 0 HG21 VAL A 78 -9.278 28.259 -26.419 1.00 40.01 H new ATOM 0 HG22 VAL A 78 -10.511 28.906 -27.528 1.00 40.01 H new ATOM 0 HG23 VAL A 78 -10.832 27.413 -26.613 1.00 40.01 H new ATOM 1181 N LEU A 79 -12.367 28.401 -29.052 1.00 0.21 N ATOM 1182 CA LEU A 79 -13.140 29.590 -29.394 1.00 73.10 C ATOM 1183 C LEU A 79 -13.576 30.337 -28.137 1.00 65.23 C ATOM 1184 O LEU A 79 -14.320 29.805 -27.313 1.00 4.41 O ATOM 1185 CB LEU A 79 -14.367 29.203 -30.222 1.00 11.50 C ATOM 1186 CG LEU A 79 -14.624 30.044 -31.474 1.00 20.54 C ATOM 1187 CD1 LEU A 79 -14.412 29.211 -32.728 1.00 72.42 C ATOM 1188 CD2 LEU A 79 -16.031 30.623 -31.447 1.00 43.43 C ATOM 0 H LEU A 79 -12.730 27.877 -28.256 1.00 0.21 H new ATOM 0 HA LEU A 79 -12.504 30.250 -29.984 1.00 73.10 H new ATOM 0 HB2 LEU A 79 -14.263 28.161 -30.524 1.00 11.50 H new ATOM 0 HB3 LEU A 79 -15.247 29.263 -29.581 1.00 11.50 H new ATOM 0 HG LEU A 79 -13.913 30.870 -31.487 1.00 20.54 H new ATOM 0 HD11 LEU A 79 -14.599 29.825 -33.609 1.00 72.42 H new ATOM 0 HD12 LEU A 79 -13.386 28.845 -32.752 1.00 72.42 H new ATOM 0 HD13 LEU A 79 -15.099 28.365 -32.723 1.00 72.42 H new ATOM 0 HD21 LEU A 79 -16.197 31.218 -32.345 1.00 43.43 H new ATOM 0 HD22 LEU A 79 -16.758 29.811 -31.410 1.00 43.43 H new ATOM 0 HD23 LEU A 79 -16.148 31.255 -30.566 1.00 43.43 H new ATOM 1200 N VAL A 80 -13.108 31.573 -27.998 1.00 51.42 N ATOM 1201 CA VAL A 80 -13.451 32.395 -26.844 1.00 15.22 C ATOM 1202 C VAL A 80 -14.558 33.387 -27.185 1.00 30.12 C ATOM 1203 O VAL A 80 -14.539 34.013 -28.244 1.00 53.52 O ATOM 1204 CB VAL A 80 -12.227 33.169 -26.322 1.00 5.24 C ATOM 1205 CG1 VAL A 80 -11.814 34.247 -27.312 1.00 65.13 C ATOM 1206 CG2 VAL A 80 -12.520 33.773 -24.956 1.00 75.44 C ATOM 0 H VAL A 80 -12.490 32.027 -28.670 1.00 51.42 H new ATOM 0 HA VAL A 80 -13.801 31.717 -26.066 1.00 15.22 H new ATOM 0 HB VAL A 80 -11.397 32.470 -26.215 1.00 5.24 H new ATOM 0 HG11 VAL A 80 -10.947 34.783 -26.925 1.00 65.13 H new ATOM 0 HG12 VAL A 80 -11.560 33.786 -28.267 1.00 65.13 H new ATOM 0 HG13 VAL A 80 -12.639 34.945 -27.455 1.00 65.13 H new ATOM 0 HG21 VAL A 80 -11.644 34.316 -24.603 1.00 75.44 H new ATOM 0 HG22 VAL A 80 -13.364 34.458 -25.035 1.00 75.44 H new ATOM 0 HG23 VAL A 80 -12.762 32.978 -24.251 1.00 75.44 H new ATOM 1216 N SER A 81 -15.521 33.525 -26.279 1.00 73.24 N ATOM 1217 CA SER A 81 -16.639 34.438 -26.485 1.00 40.44 C ATOM 1218 C SER A 81 -16.840 35.334 -25.267 1.00 35.34 C ATOM 1219 O SER A 81 -16.350 35.056 -24.172 1.00 64.23 O ATOM 1220 CB SER A 81 -17.920 33.654 -26.773 1.00 73.43 C ATOM 1221 OG SER A 81 -18.235 33.680 -28.155 1.00 22.22 O ATOM 0 H SER A 81 -15.549 33.016 -25.395 1.00 73.24 H new ATOM 0 HA SER A 81 -16.407 35.068 -27.344 1.00 40.44 H new ATOM 0 HB2 SER A 81 -17.800 32.622 -26.444 1.00 73.43 H new ATOM 0 HB3 SER A 81 -18.745 34.077 -26.201 1.00 73.43 H new ATOM 0 HG SER A 81 -19.057 33.170 -28.313 1.00 22.22 H new ATOM 1227 N PRO A 82 -17.581 36.436 -25.459 1.00 24.30 N ATOM 1228 CA PRO A 82 -17.865 37.395 -24.388 1.00 33.03 C ATOM 1229 C PRO A 82 -18.810 36.825 -23.335 1.00 53.23 C ATOM 1230 O PRO A 82 -19.944 36.455 -23.639 1.00 75.03 O ATOM 1231 CB PRO A 82 -18.527 38.563 -25.124 1.00 25.11 C ATOM 1232 CG PRO A 82 -19.118 37.953 -26.348 1.00 3.22 C ATOM 1233 CD PRO A 82 -18.197 36.830 -26.737 1.00 30.31 C ATOM 0 HA PRO A 82 -16.964 37.673 -23.841 1.00 33.03 H new ATOM 0 HB2 PRO A 82 -19.292 39.036 -24.509 1.00 25.11 H new ATOM 0 HB3 PRO A 82 -17.800 39.334 -25.378 1.00 25.11 H new ATOM 0 HG2 PRO A 82 -20.124 37.582 -26.152 1.00 3.22 H new ATOM 0 HG3 PRO A 82 -19.199 38.687 -27.150 1.00 3.22 H new ATOM 0 HD2 PRO A 82 -18.742 36.003 -27.192 1.00 30.31 H new ATOM 0 HD3 PRO A 82 -17.449 37.156 -27.460 1.00 30.31 H new