USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 68 MET CE :methyl 168:sc=-0.000786 (180deg=0) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.0176 K(o=-0.018,f=-1.6!) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.00118 USER MOD Set 3.2: A 82 THR OG1 : rot -127:sc= -0.0674 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 66:sc= 0.384 USER MOD Single : A 17 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.1!) USER MOD Single : A 22 HIS : no HD1:sc= -2.23! K(o=-2.2!,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.596 K(o=-0.6,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 150:sc=-0.00701 USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.0364 (180deg=-0.244) USER MOD Single : A 44 MET CE :methyl -177:sc= -2.3 (180deg=-2.42) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0547 K(o=-0.055,f=-2.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -154:sc= -0.128 (180deg=-0.725) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= -0.0401 (180deg=-0.304) USER MOD Single : A 76 THR OG1 : rot 36:sc= 0.0357 USER MOD Single : A 77 TYR OH : rot 131:sc= 0.298 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 3:sc= 1.2 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.816 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2.9!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 103 SER OG : rot -137:sc= -0.298 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.751 21.955 4.191 1.00 0.00 N ATOM 67 CA GLU A 8 2.423 20.662 4.158 1.00 0.00 C ATOM 68 C GLU A 8 1.488 19.576 3.633 1.00 0.00 C ATOM 69 O GLU A 8 0.321 19.835 3.338 1.00 0.00 O ATOM 70 CB GLU A 8 2.924 20.287 5.555 1.00 0.00 C ATOM 71 CG GLU A 8 1.820 19.843 6.499 1.00 0.00 C ATOM 72 CD GLU A 8 2.348 19.070 7.691 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.785 17.915 7.502 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.323 19.618 8.813 1.00 0.00 O ATOM 0 HA GLU A 8 3.275 20.741 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.658 19.486 5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.439 21.144 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.274 20.718 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.109 19.222 5.954 1.00 0.00 H new ATOM 81 N VAL A 9 2.010 18.359 3.519 1.00 0.00 N ATOM 82 CA VAL A 9 1.223 17.233 3.030 1.00 0.00 C ATOM 83 C VAL A 9 0.305 16.690 4.120 1.00 0.00 C ATOM 84 O VAL A 9 0.668 16.665 5.296 1.00 0.00 O ATOM 85 CB VAL A 9 2.128 16.094 2.522 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.904 15.475 3.674 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.303 15.042 1.797 1.00 0.00 C ATOM 0 H VAL A 9 2.974 18.128 3.758 1.00 0.00 H new ATOM 0 HA VAL A 9 0.619 17.604 2.202 1.00 0.00 H new ATOM 0 HB VAL A 9 2.845 16.510 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.538 14.673 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.525 16.237 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.206 15.071 4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.958 14.245 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.561 14.627 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.798 15.499 0.946 1.00 0.00 H new ATOM 97 N ASP A 10 -0.885 16.255 3.720 1.00 0.00 N ATOM 98 CA ASP A 10 -1.856 15.710 4.663 1.00 0.00 C ATOM 99 C ASP A 10 -2.214 14.272 4.302 1.00 0.00 C ATOM 100 O ASP A 10 -2.630 13.972 3.183 1.00 0.00 O ATOM 101 CB ASP A 10 -3.118 16.574 4.684 1.00 0.00 C ATOM 102 CG ASP A 10 -3.910 16.411 5.966 1.00 0.00 C ATOM 103 OD1 ASP A 10 -3.640 17.159 6.930 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.799 15.536 6.006 1.00 0.00 O ATOM 0 H ASP A 10 -1.201 16.269 2.750 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.406 15.715 5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.840 17.621 4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.749 16.311 3.835 1.00 0.00 H new ATOM 109 N PRO A 11 -2.050 13.360 5.272 1.00 0.00 N ATOM 110 CA PRO A 11 -2.350 11.938 5.081 1.00 0.00 C ATOM 111 C PRO A 11 -3.846 11.674 4.951 1.00 0.00 C ATOM 112 O PRO A 11 -4.269 10.804 4.191 1.00 0.00 O ATOM 113 CB PRO A 11 -1.800 11.286 6.352 1.00 0.00 C ATOM 114 CG PRO A 11 -1.825 12.368 7.375 1.00 0.00 C ATOM 115 CD PRO A 11 -1.559 13.648 6.631 1.00 0.00 C ATOM 0 HA PRO A 11 -1.912 11.548 4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.412 10.438 6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.788 10.910 6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.790 12.404 7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.069 12.198 8.142 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.086 14.490 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.498 13.900 6.630 1.00 0.00 H new ATOM 123 N ALA A 12 -4.643 12.431 5.699 1.00 0.00 N ATOM 124 CA ALA A 12 -6.093 12.279 5.664 1.00 0.00 C ATOM 125 C ALA A 12 -6.654 12.676 4.303 1.00 0.00 C ATOM 126 O ALA A 12 -7.771 12.300 3.947 1.00 0.00 O ATOM 127 CB ALA A 12 -6.736 13.110 6.765 1.00 0.00 C ATOM 0 H ALA A 12 -4.310 13.155 6.336 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.328 11.228 5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.818 12.988 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.366 12.777 7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.484 14.161 6.622 1.00 0.00 H new ATOM 133 N LYS A 13 -5.873 13.439 3.546 1.00 0.00 N ATOM 134 CA LYS A 13 -6.292 13.887 2.223 1.00 0.00 C ATOM 135 C LYS A 13 -5.673 13.018 1.133 1.00 0.00 C ATOM 136 O LYS A 13 -6.188 12.945 0.017 1.00 0.00 O ATOM 137 CB LYS A 13 -5.897 15.350 2.009 1.00 0.00 C ATOM 138 CG LYS A 13 -6.298 16.263 3.155 1.00 0.00 C ATOM 139 CD LYS A 13 -7.711 16.793 2.977 1.00 0.00 C ATOM 140 CE LYS A 13 -8.739 15.855 3.590 1.00 0.00 C ATOM 141 NZ LYS A 13 -10.097 16.465 3.622 1.00 0.00 N ATOM 0 H LYS A 13 -4.946 13.760 3.826 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.377 13.797 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.818 15.409 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.358 15.711 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.229 15.718 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.600 17.098 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.793 17.777 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.922 16.922 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.771 14.928 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.434 15.594 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.769 15.794 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.073 17.337 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.399 16.691 2.653 1.00 0.00 H new ATOM 155 N CYS A 14 -4.567 12.360 1.464 1.00 0.00 N ATOM 156 CA CYS A 14 -3.879 11.494 0.513 1.00 0.00 C ATOM 157 C CYS A 14 -4.779 10.344 0.075 1.00 0.00 C ATOM 158 O CYS A 14 -5.727 9.982 0.772 1.00 0.00 O ATOM 159 CB CYS A 14 -2.593 10.944 1.131 1.00 0.00 C ATOM 160 SG CYS A 14 -1.230 12.131 1.178 1.00 0.00 S ATOM 0 H CYS A 14 -4.128 12.410 2.383 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.627 12.088 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.805 10.610 2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.277 10.067 0.566 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.528 13.102 1.990 1.00 0.00 H new ATOM 166 N VAL A 15 -4.478 9.773 -1.088 1.00 0.00 N ATOM 167 CA VAL A 15 -5.260 8.664 -1.621 1.00 0.00 C ATOM 168 C VAL A 15 -4.366 7.650 -2.324 1.00 0.00 C ATOM 169 O VAL A 15 -3.192 7.916 -2.585 1.00 0.00 O ATOM 170 CB VAL A 15 -6.334 9.158 -2.608 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.632 9.464 -1.877 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.838 10.381 -3.366 1.00 0.00 C ATOM 0 H VAL A 15 -3.698 10.061 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.750 8.185 -0.773 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.531 8.366 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.379 9.812 -2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.994 8.561 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.455 10.239 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.609 10.717 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.612 11.180 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.937 10.123 -3.923 1.00 0.00 H new ATOM 182 N LEU A 16 -4.928 6.486 -2.630 1.00 0.00 N ATOM 183 CA LEU A 16 -4.182 5.429 -3.305 1.00 0.00 C ATOM 184 C LEU A 16 -4.691 5.228 -4.729 1.00 0.00 C ATOM 185 O LEU A 16 -5.880 5.390 -5.001 1.00 0.00 O ATOM 186 CB LEU A 16 -4.292 4.120 -2.522 1.00 0.00 C ATOM 187 CG LEU A 16 -4.004 4.208 -1.023 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.794 3.153 -0.264 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.514 4.055 -0.756 1.00 0.00 C ATOM 0 H LEU A 16 -5.898 6.250 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.135 5.730 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.299 3.724 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.604 3.398 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.317 5.191 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.576 3.231 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.860 3.309 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.513 2.162 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.328 4.120 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.176 3.087 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.969 4.848 -1.268 1.00 0.00 H new ATOM 201 N GLN A 17 -3.783 4.871 -5.631 1.00 0.00 N ATOM 202 CA GLN A 17 -4.141 4.646 -7.027 1.00 0.00 C ATOM 203 C GLN A 17 -3.813 3.218 -7.449 1.00 0.00 C ATOM 204 O GLN A 17 -2.833 2.633 -6.988 1.00 0.00 O ATOM 205 CB GLN A 17 -3.408 5.639 -7.930 1.00 0.00 C ATOM 206 CG GLN A 17 -4.083 6.998 -8.015 1.00 0.00 C ATOM 207 CD GLN A 17 -3.797 7.712 -9.321 1.00 0.00 C ATOM 208 OE1 GLN A 17 -2.646 7.812 -9.748 1.00 0.00 O ATOM 209 NE2 GLN A 17 -4.845 8.211 -9.965 1.00 0.00 N ATOM 0 H GLN A 17 -2.795 4.731 -5.421 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.215 4.798 -7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.391 5.770 -7.561 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.331 5.218 -8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.160 6.872 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.746 7.619 -7.185 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.781 8.105 -9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.714 8.700 -10.850 1.00 0.00 H new ATOM 218 N GLY A 18 -4.639 2.661 -8.330 1.00 0.00 N ATOM 219 CA GLY A 18 -4.420 1.306 -8.799 1.00 0.00 C ATOM 220 C GLY A 18 -5.706 0.507 -8.886 1.00 0.00 C ATOM 221 O GLY A 18 -6.610 0.686 -8.072 1.00 0.00 O ATOM 0 H GLY A 18 -5.456 3.125 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.948 1.337 -9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.726 0.800 -8.127 1.00 0.00 H new ATOM 225 N GLU A 19 -5.787 -0.374 -9.878 1.00 0.00 N ATOM 226 CA GLU A 19 -6.973 -1.200 -10.070 1.00 0.00 C ATOM 227 C GLU A 19 -6.930 -2.430 -9.167 1.00 0.00 C ATOM 228 O GLU A 19 -5.857 -2.922 -8.820 1.00 0.00 O ATOM 229 CB GLU A 19 -7.090 -1.632 -11.533 1.00 0.00 C ATOM 230 CG GLU A 19 -6.034 -2.638 -11.958 1.00 0.00 C ATOM 231 CD GLU A 19 -4.733 -1.978 -12.372 1.00 0.00 C ATOM 232 OE1 GLU A 19 -4.787 -0.909 -13.014 1.00 0.00 O ATOM 233 OE2 GLU A 19 -3.660 -2.532 -12.052 1.00 0.00 O ATOM 0 H GLU A 19 -5.046 -0.534 -10.561 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.846 -0.605 -9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.077 -2.063 -11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.017 -0.751 -12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.842 -3.327 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.416 -3.232 -12.788 1.00 0.00 H new ATOM 240 N ASP A 20 -8.106 -2.921 -8.791 1.00 0.00 N ATOM 241 CA ASP A 20 -8.205 -4.094 -7.929 1.00 0.00 C ATOM 242 C ASP A 20 -7.137 -4.059 -6.840 1.00 0.00 C ATOM 243 O ASP A 20 -6.379 -5.015 -6.669 1.00 0.00 O ATOM 244 CB ASP A 20 -8.067 -5.373 -8.756 1.00 0.00 C ATOM 245 CG ASP A 20 -9.269 -5.619 -9.646 1.00 0.00 C ATOM 246 OD1 ASP A 20 -10.347 -5.948 -9.110 1.00 0.00 O ATOM 247 OD2 ASP A 20 -9.131 -5.484 -10.880 1.00 0.00 O ATOM 0 H ASP A 20 -9.004 -2.525 -9.069 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.185 -4.083 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.170 -5.309 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.934 -6.223 -8.086 1.00 0.00 H new ATOM 252 N LEU A 21 -7.082 -2.952 -6.108 1.00 0.00 N ATOM 253 CA LEU A 21 -6.106 -2.792 -5.036 1.00 0.00 C ATOM 254 C LEU A 21 -6.385 -3.766 -3.895 1.00 0.00 C ATOM 255 O LEU A 21 -5.528 -4.005 -3.044 1.00 0.00 O ATOM 256 CB LEU A 21 -6.126 -1.355 -4.511 1.00 0.00 C ATOM 257 CG LEU A 21 -5.189 -0.371 -5.213 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.580 1.062 -4.887 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.744 -0.636 -4.817 1.00 0.00 C ATOM 0 H LEU A 21 -7.702 -2.152 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.118 -3.010 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.145 -0.975 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.873 -1.373 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.281 -0.515 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.903 1.748 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.601 1.246 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.517 1.220 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.091 0.073 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.635 -0.520 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.469 -1.651 -5.102 1.00 0.00 H new ATOM 271 N HIS A 22 -7.590 -4.327 -3.885 1.00 0.00 N ATOM 272 CA HIS A 22 -7.982 -5.278 -2.850 1.00 0.00 C ATOM 273 C HIS A 22 -8.015 -6.699 -3.403 1.00 0.00 C ATOM 274 O HIS A 22 -8.735 -7.558 -2.893 1.00 0.00 O ATOM 275 CB HIS A 22 -9.352 -4.908 -2.280 1.00 0.00 C ATOM 276 CG HIS A 22 -9.314 -3.742 -1.340 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.919 -3.755 -0.101 1.00 0.00 N ATOM 278 CD2 HIS A 22 -8.737 -2.524 -1.463 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.718 -2.595 0.497 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.003 -1.830 -0.308 1.00 0.00 N ATOM 0 H HIS A 22 -8.312 -4.140 -4.581 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.241 -5.235 -2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.029 -4.679 -3.103 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.765 -5.772 -1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.173 -2.165 -2.311 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.077 -2.319 1.477 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.698 -0.878 -0.105 1.00 0.00 H new ATOM 289 N ARG A 23 -7.232 -6.941 -4.450 1.00 0.00 N ATOM 290 CA ARG A 23 -7.174 -8.257 -5.073 1.00 0.00 C ATOM 291 C ARG A 23 -5.764 -8.561 -5.572 1.00 0.00 C ATOM 292 O ARG A 23 -5.218 -7.831 -6.399 1.00 0.00 O ATOM 293 CB ARG A 23 -8.167 -8.340 -6.234 1.00 0.00 C ATOM 294 CG ARG A 23 -8.706 -9.740 -6.475 1.00 0.00 C ATOM 295 CD ARG A 23 -7.635 -10.661 -7.038 1.00 0.00 C ATOM 296 NE ARG A 23 -7.370 -10.394 -8.449 1.00 0.00 N ATOM 297 CZ ARG A 23 -6.743 -11.246 -9.253 1.00 0.00 C ATOM 298 NH1 ARG A 23 -6.320 -12.413 -8.787 1.00 0.00 N ATOM 299 NH2 ARG A 23 -6.540 -10.931 -10.526 1.00 0.00 N ATOM 0 H ARG A 23 -6.629 -6.242 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.442 -8.999 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.002 -7.668 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.681 -7.985 -7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.085 -10.151 -5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.547 -9.693 -7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.715 -10.538 -6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.949 -11.698 -6.918 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.683 -9.505 -8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.476 -12.658 -7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.839 -13.065 -9.406 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.865 -10.034 -10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.059 -11.585 -11.143 1.00 0.00 H new ATOM 313 N ALA A 24 -5.182 -9.641 -5.064 1.00 0.00 N ATOM 314 CA ALA A 24 -3.837 -10.042 -5.459 1.00 0.00 C ATOM 315 C ALA A 24 -3.773 -11.537 -5.750 1.00 0.00 C ATOM 316 O ALA A 24 -4.671 -12.291 -5.376 1.00 0.00 O ATOM 317 CB ALA A 24 -2.836 -9.669 -4.376 1.00 0.00 C ATOM 0 H ALA A 24 -5.621 -10.255 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.580 -9.510 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.836 -9.974 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.854 -8.590 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.100 -10.175 -3.447 1.00 0.00 H new ATOM 323 N ARG A 25 -2.706 -11.959 -6.421 1.00 0.00 N ATOM 324 CA ARG A 25 -2.526 -13.365 -6.764 1.00 0.00 C ATOM 325 C ARG A 25 -1.290 -13.938 -6.077 1.00 0.00 C ATOM 326 O ARG A 25 -0.251 -13.283 -6.002 1.00 0.00 O ATOM 327 CB ARG A 25 -2.404 -13.531 -8.280 1.00 0.00 C ATOM 328 CG ARG A 25 -2.502 -14.974 -8.744 1.00 0.00 C ATOM 329 CD ARG A 25 -3.033 -15.067 -10.166 1.00 0.00 C ATOM 330 NE ARG A 25 -4.491 -15.000 -10.211 1.00 0.00 N ATOM 331 CZ ARG A 25 -5.201 -15.174 -11.320 1.00 0.00 C ATOM 332 NH1 ARG A 25 -4.590 -15.425 -12.470 1.00 0.00 N ATOM 333 NH2 ARG A 25 -6.525 -15.097 -11.280 1.00 0.00 N ATOM 0 H ARG A 25 -1.953 -11.348 -6.738 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.401 -13.913 -6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.187 -12.948 -8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.450 -13.117 -8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.519 -15.442 -8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.157 -15.530 -8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.614 -14.257 -10.763 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.699 -16.001 -10.617 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.992 -14.809 -9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.572 -15.485 -12.504 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.138 -15.558 -13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.998 -14.904 -10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.070 -15.231 -12.132 1.00 0.00 H new ATOM 347 N GLU A 26 -1.411 -15.164 -5.578 1.00 0.00 N ATOM 348 CA GLU A 26 -0.303 -15.824 -4.897 1.00 0.00 C ATOM 349 C GLU A 26 0.987 -15.689 -5.701 1.00 0.00 C ATOM 350 O GLU A 26 0.985 -15.810 -6.926 1.00 0.00 O ATOM 351 CB GLU A 26 -0.623 -17.303 -4.669 1.00 0.00 C ATOM 352 CG GLU A 26 0.588 -18.136 -4.287 1.00 0.00 C ATOM 353 CD GLU A 26 1.098 -17.819 -2.894 1.00 0.00 C ATOM 354 OE1 GLU A 26 0.911 -16.670 -2.442 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.683 -18.720 -2.257 1.00 0.00 O ATOM 0 H GLU A 26 -2.264 -15.720 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.162 -15.338 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.373 -17.387 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.065 -17.714 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.329 -19.193 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.385 -17.964 -5.010 1.00 0.00 H new ATOM 362 N LYS A 27 2.089 -15.439 -5.001 1.00 0.00 N ATOM 363 CA LYS A 27 3.388 -15.288 -5.647 1.00 0.00 C ATOM 364 C LYS A 27 3.300 -14.324 -6.826 1.00 0.00 C ATOM 365 O LYS A 27 3.810 -14.608 -7.910 1.00 0.00 O ATOM 366 CB LYS A 27 3.904 -16.647 -6.123 1.00 0.00 C ATOM 367 CG LYS A 27 4.579 -17.458 -5.030 1.00 0.00 C ATOM 368 CD LYS A 27 5.439 -18.569 -5.610 1.00 0.00 C ATOM 369 CE LYS A 27 6.558 -18.962 -4.658 1.00 0.00 C ATOM 370 NZ LYS A 27 7.226 -20.225 -5.079 1.00 0.00 N ATOM 0 H LYS A 27 2.108 -15.337 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 27 4.085 -14.877 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.071 -17.221 -6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.611 -16.493 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.196 -16.801 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.822 -17.888 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.817 -19.439 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.865 -18.243 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.294 -18.160 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.154 -19.082 -3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.983 -20.459 -4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.529 -20.997 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.634 -20.103 -6.028 1.00 0.00 H new ATOM 384 N GLN A 28 2.654 -13.184 -6.606 1.00 0.00 N ATOM 385 CA GLN A 28 2.502 -12.178 -7.651 1.00 0.00 C ATOM 386 C GLN A 28 3.021 -10.823 -7.182 1.00 0.00 C ATOM 387 O GLN A 28 3.009 -10.520 -5.989 1.00 0.00 O ATOM 388 CB GLN A 28 1.034 -12.060 -8.065 1.00 0.00 C ATOM 389 CG GLN A 28 0.839 -11.487 -9.459 1.00 0.00 C ATOM 390 CD GLN A 28 0.905 -12.548 -10.540 1.00 0.00 C ATOM 391 OE1 GLN A 28 -0.121 -12.977 -11.069 1.00 0.00 O ATOM 392 NE2 GLN A 28 2.116 -12.976 -10.876 1.00 0.00 N ATOM 0 H GLN A 28 2.227 -12.934 -5.714 1.00 0.00 H new ATOM 0 HA GLN A 28 3.091 -12.493 -8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.572 -13.046 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.512 -11.429 -7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.126 -10.982 -9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.603 -10.733 -9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.939 -12.593 -10.412 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.223 -13.688 -11.599 1.00 0.00 H new ATOM 401 N THR A 29 3.478 -10.010 -8.130 1.00 0.00 N ATOM 402 CA THR A 29 4.003 -8.688 -7.814 1.00 0.00 C ATOM 403 C THR A 29 2.962 -7.606 -8.077 1.00 0.00 C ATOM 404 O THR A 29 2.697 -7.253 -9.226 1.00 0.00 O ATOM 405 CB THR A 29 5.270 -8.376 -8.633 1.00 0.00 C ATOM 406 OG1 THR A 29 6.283 -9.351 -8.359 1.00 0.00 O ATOM 407 CG2 THR A 29 5.795 -6.986 -8.309 1.00 0.00 C ATOM 0 H THR A 29 3.495 -10.244 -9.123 1.00 0.00 H new ATOM 0 HA THR A 29 4.257 -8.694 -6.754 1.00 0.00 H new ATOM 0 HB THR A 29 5.010 -8.411 -9.691 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.085 -9.147 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.690 -6.788 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.032 -6.244 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.040 -6.928 -7.248 1.00 0.00 H new ATOM 415 N ALA A 30 2.376 -7.082 -7.006 1.00 0.00 N ATOM 416 CA ALA A 30 1.366 -6.037 -7.122 1.00 0.00 C ATOM 417 C ALA A 30 1.939 -4.675 -6.746 1.00 0.00 C ATOM 418 O ALA A 30 2.520 -4.509 -5.673 1.00 0.00 O ATOM 419 CB ALA A 30 0.165 -6.366 -6.247 1.00 0.00 C ATOM 0 H ALA A 30 2.583 -7.364 -6.048 1.00 0.00 H new ATOM 0 HA ALA A 30 1.043 -5.991 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.582 -5.578 -6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.267 -7.315 -6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.482 -6.441 -5.207 1.00 0.00 H new ATOM 425 N SER A 31 1.774 -3.703 -7.637 1.00 0.00 N ATOM 426 CA SER A 31 2.279 -2.355 -7.401 1.00 0.00 C ATOM 427 C SER A 31 1.167 -1.323 -7.557 1.00 0.00 C ATOM 428 O SER A 31 0.229 -1.516 -8.330 1.00 0.00 O ATOM 429 CB SER A 31 3.423 -2.040 -8.367 1.00 0.00 C ATOM 430 OG SER A 31 3.039 -2.285 -9.709 1.00 0.00 O ATOM 0 H SER A 31 1.295 -3.823 -8.529 1.00 0.00 H new ATOM 0 HA SER A 31 2.653 -2.308 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.721 -0.997 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.292 -2.649 -8.117 1.00 0.00 H new ATOM 0 HG SER A 31 3.787 -2.075 -10.307 1.00 0.00 H new ATOM 436 N PHE A 32 1.280 -0.225 -6.817 1.00 0.00 N ATOM 437 CA PHE A 32 0.284 0.839 -6.871 1.00 0.00 C ATOM 438 C PHE A 32 0.937 2.205 -6.682 1.00 0.00 C ATOM 439 O PHE A 32 2.061 2.307 -6.189 1.00 0.00 O ATOM 440 CB PHE A 32 -0.786 0.620 -5.800 1.00 0.00 C ATOM 441 CG PHE A 32 -0.222 0.332 -4.439 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.171 -0.951 -4.094 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.084 1.344 -3.503 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.691 -1.220 -2.842 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.436 1.082 -2.249 1.00 0.00 C ATOM 446 CZ PHE A 32 0.823 -0.202 -1.918 1.00 0.00 C ATOM 0 H PHE A 32 2.051 -0.049 -6.173 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.186 0.813 -7.854 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.418 1.506 -5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.426 -0.209 -6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.070 -1.751 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.386 2.350 -3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.994 -2.225 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.539 1.880 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.228 -0.409 -0.939 1.00 0.00 H new ATOM 456 N THR A 33 0.224 3.255 -7.078 1.00 0.00 N ATOM 457 CA THR A 33 0.733 4.615 -6.954 1.00 0.00 C ATOM 458 C THR A 33 0.078 5.344 -5.787 1.00 0.00 C ATOM 459 O THR A 33 -1.136 5.259 -5.591 1.00 0.00 O ATOM 460 CB THR A 33 0.499 5.423 -8.245 1.00 0.00 C ATOM 461 OG1 THR A 33 1.333 4.920 -9.295 1.00 0.00 O ATOM 462 CG2 THR A 33 0.791 6.899 -8.021 1.00 0.00 C ATOM 0 H THR A 33 -0.708 3.189 -7.487 1.00 0.00 H new ATOM 0 HA THR A 33 1.805 4.535 -6.773 1.00 0.00 H new ATOM 0 HB THR A 33 -0.548 5.316 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.177 5.437 -10.113 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.619 7.449 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.134 7.286 -7.242 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.830 7.022 -7.714 1.00 0.00 H new ATOM 470 N LEU A 34 0.886 6.060 -5.013 1.00 0.00 N ATOM 471 CA LEU A 34 0.384 6.805 -3.864 1.00 0.00 C ATOM 472 C LEU A 34 0.422 8.306 -4.130 1.00 0.00 C ATOM 473 O LEU A 34 1.492 8.915 -4.163 1.00 0.00 O ATOM 474 CB LEU A 34 1.207 6.475 -2.618 1.00 0.00 C ATOM 475 CG LEU A 34 0.917 7.321 -1.378 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.495 7.063 -0.875 1.00 0.00 C ATOM 477 CD2 LEU A 34 1.935 7.033 -0.285 1.00 0.00 C ATOM 0 H LEU A 34 1.892 6.140 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.652 6.511 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.042 5.428 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.263 6.581 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 34 0.997 8.373 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.684 7.674 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.212 7.321 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.603 6.009 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.713 7.644 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.888 5.979 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.935 7.269 -0.648 1.00 0.00 H new ATOM 489 N LEU A 35 -0.753 8.898 -4.316 1.00 0.00 N ATOM 490 CA LEU A 35 -0.855 10.330 -4.577 1.00 0.00 C ATOM 491 C LEU A 35 -0.749 11.128 -3.281 1.00 0.00 C ATOM 492 O LEU A 35 -1.370 10.782 -2.275 1.00 0.00 O ATOM 493 CB LEU A 35 -2.177 10.648 -5.278 1.00 0.00 C ATOM 494 CG LEU A 35 -2.443 9.894 -6.582 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.887 10.079 -7.020 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.489 10.361 -7.672 1.00 0.00 C ATOM 0 H LEU A 35 -1.648 8.409 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.028 10.616 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.992 10.436 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.206 11.717 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.271 8.832 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.058 9.536 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.554 9.695 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.086 11.139 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.693 9.814 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.629 11.428 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.461 10.176 -7.360 1.00 0.00 H new ATOM 508 N CYS A 36 0.038 12.198 -3.314 1.00 0.00 N ATOM 509 CA CYS A 36 0.224 13.046 -2.142 1.00 0.00 C ATOM 510 C CYS A 36 -0.523 14.367 -2.303 1.00 0.00 C ATOM 511 O CYS A 36 -0.271 15.125 -3.240 1.00 0.00 O ATOM 512 CB CYS A 36 1.712 13.313 -1.910 1.00 0.00 C ATOM 513 SG CYS A 36 2.722 11.817 -1.804 1.00 0.00 S ATOM 0 H CYS A 36 0.557 12.499 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.182 12.522 -1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.089 13.936 -2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.829 13.883 -0.988 1.00 0.00 H new ATOM 0 HG CYS A 36 3.921 12.071 -2.238 1.00 0.00 H new ATOM 519 N LYS A 37 -1.444 14.635 -1.384 1.00 0.00 N ATOM 520 CA LYS A 37 -2.229 15.864 -1.423 1.00 0.00 C ATOM 521 C LYS A 37 -2.010 16.689 -0.160 1.00 0.00 C ATOM 522 O LYS A 37 -1.647 16.154 0.888 1.00 0.00 O ATOM 523 CB LYS A 37 -3.716 15.538 -1.581 1.00 0.00 C ATOM 524 CG LYS A 37 -4.110 15.168 -3.001 1.00 0.00 C ATOM 525 CD LYS A 37 -3.942 13.680 -3.257 1.00 0.00 C ATOM 526 CE LYS A 37 -4.174 13.336 -4.720 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.462 13.889 -5.222 1.00 0.00 N ATOM 0 H LYS A 37 -1.666 14.018 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.899 16.450 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.971 14.713 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.304 16.399 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.147 15.454 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.499 15.731 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.939 13.370 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.642 13.122 -2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.352 13.727 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.171 12.253 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.699 13.445 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.216 13.692 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.371 14.917 -5.352 1.00 0.00 H new ATOM 541 N ASP A 38 -2.234 17.994 -0.265 1.00 0.00 N ATOM 542 CA ASP A 38 -2.064 18.894 0.870 1.00 0.00 C ATOM 543 C ASP A 38 -3.326 18.933 1.726 1.00 0.00 C ATOM 544 O ASP A 38 -4.286 18.208 1.468 1.00 0.00 O ATOM 545 CB ASP A 38 -1.718 20.302 0.385 1.00 0.00 C ATOM 546 CG ASP A 38 -2.883 20.977 -0.311 1.00 0.00 C ATOM 547 OD1 ASP A 38 -3.957 20.349 -0.416 1.00 0.00 O ATOM 548 OD2 ASP A 38 -2.721 22.135 -0.751 1.00 0.00 O ATOM 0 H ASP A 38 -2.534 18.453 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.244 18.517 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.405 20.909 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.871 20.250 -0.299 1.00 0.00 H new ATOM 553 N ALA A 39 -3.316 19.784 2.747 1.00 0.00 N ATOM 554 CA ALA A 39 -4.460 19.919 3.641 1.00 0.00 C ATOM 555 C ALA A 39 -5.689 20.419 2.888 1.00 0.00 C ATOM 556 O ALA A 39 -6.819 20.254 3.347 1.00 0.00 O ATOM 557 CB ALA A 39 -4.124 20.858 4.790 1.00 0.00 C ATOM 0 H ALA A 39 -2.528 20.390 2.976 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.691 18.934 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.987 20.949 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.279 20.459 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.865 21.840 4.394 1.00 0.00 H new ATOM 563 N ALA A 40 -5.460 21.030 1.731 1.00 0.00 N ATOM 564 CA ALA A 40 -6.548 21.553 0.914 1.00 0.00 C ATOM 565 C ALA A 40 -7.175 20.452 0.066 1.00 0.00 C ATOM 566 O ALA A 40 -8.161 20.680 -0.635 1.00 0.00 O ATOM 567 CB ALA A 40 -6.047 22.684 0.029 1.00 0.00 C ATOM 0 H ALA A 40 -4.530 21.175 1.338 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.316 21.943 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.870 23.065 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.653 23.487 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.258 22.312 -0.625 1.00 0.00 H new ATOM 573 N GLY A 41 -6.596 19.257 0.132 1.00 0.00 N ATOM 574 CA GLY A 41 -7.112 18.139 -0.636 1.00 0.00 C ATOM 575 C GLY A 41 -6.826 18.273 -2.118 1.00 0.00 C ATOM 576 O GLY A 41 -7.530 17.697 -2.947 1.00 0.00 O ATOM 0 H GLY A 41 -5.779 19.043 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.671 17.214 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.188 18.062 -0.482 1.00 0.00 H new ATOM 580 N GLU A 42 -5.791 19.037 -2.453 1.00 0.00 N ATOM 581 CA GLU A 42 -5.416 19.247 -3.847 1.00 0.00 C ATOM 582 C GLU A 42 -3.981 18.795 -4.098 1.00 0.00 C ATOM 583 O GLU A 42 -3.184 18.676 -3.166 1.00 0.00 O ATOM 584 CB GLU A 42 -5.572 20.721 -4.223 1.00 0.00 C ATOM 585 CG GLU A 42 -4.480 21.613 -3.657 1.00 0.00 C ATOM 586 CD GLU A 42 -4.905 23.065 -3.557 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.099 23.317 -3.295 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.042 23.949 -3.742 1.00 0.00 O ATOM 0 H GLU A 42 -5.198 19.521 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.081 18.649 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.577 20.812 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.540 21.077 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.198 21.252 -2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.594 21.540 -4.288 1.00 0.00 H new ATOM 595 N ILE A 43 -3.658 18.544 -5.362 1.00 0.00 N ATOM 596 CA ILE A 43 -2.320 18.106 -5.736 1.00 0.00 C ATOM 597 C ILE A 43 -1.272 19.140 -5.338 1.00 0.00 C ATOM 598 O ILE A 43 -1.393 20.320 -5.666 1.00 0.00 O ATOM 599 CB ILE A 43 -2.216 17.843 -7.250 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.263 16.815 -7.685 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.816 17.366 -7.610 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.972 15.413 -7.196 1.00 0.00 C ATOM 0 H ILE A 43 -4.305 18.637 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.131 17.176 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.409 18.776 -7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.240 17.125 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.322 16.807 -8.773 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.758 17.184 -8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.089 18.129 -7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.597 16.443 -7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.755 14.737 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.009 15.084 -7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.942 15.407 -6.106 1.00 0.00 H new ATOM 614 N MET A 44 -0.241 18.688 -4.631 1.00 0.00 N ATOM 615 CA MET A 44 0.830 19.573 -4.191 1.00 0.00 C ATOM 616 C MET A 44 2.020 19.503 -5.143 1.00 0.00 C ATOM 617 O MET A 44 2.768 20.468 -5.290 1.00 0.00 O ATOM 618 CB MET A 44 1.274 19.207 -2.774 1.00 0.00 C ATOM 619 CG MET A 44 1.774 17.777 -2.644 1.00 0.00 C ATOM 620 SD MET A 44 3.023 17.592 -1.357 1.00 0.00 S ATOM 621 CE MET A 44 2.168 18.297 0.049 1.00 0.00 C ATOM 0 H MET A 44 -0.125 17.714 -4.351 1.00 0.00 H new ATOM 0 HA MET A 44 0.446 20.593 -4.192 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.065 19.889 -2.462 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.438 19.354 -2.091 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.932 17.120 -2.425 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.190 17.454 -3.598 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.832 18.304 0.913 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.865 19.318 -0.184 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.285 17.699 0.275 1.00 0.00 H new ATOM 631 N GLY A 45 2.189 18.352 -5.788 1.00 0.00 N ATOM 632 CA GLY A 45 3.290 18.177 -6.717 1.00 0.00 C ATOM 633 C GLY A 45 4.642 18.323 -6.048 1.00 0.00 C ATOM 634 O GLY A 45 5.509 19.048 -6.537 1.00 0.00 O ATOM 0 H GLY A 45 1.583 17.538 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.220 17.191 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.204 18.910 -7.519 1.00 0.00 H new ATOM 638 N ARG A 46 4.823 17.634 -4.926 1.00 0.00 N ATOM 639 CA ARG A 46 6.079 17.692 -4.188 1.00 0.00 C ATOM 640 C ARG A 46 6.349 16.374 -3.468 1.00 0.00 C ATOM 641 O ARG A 46 5.501 15.483 -3.445 1.00 0.00 O ATOM 642 CB ARG A 46 6.047 18.840 -3.177 1.00 0.00 C ATOM 643 CG ARG A 46 6.065 20.218 -3.819 1.00 0.00 C ATOM 644 CD ARG A 46 7.334 20.439 -4.628 1.00 0.00 C ATOM 645 NE ARG A 46 7.423 21.802 -5.145 1.00 0.00 N ATOM 646 CZ ARG A 46 8.555 22.355 -5.566 1.00 0.00 C ATOM 647 NH1 ARG A 46 9.687 21.666 -5.532 1.00 0.00 N ATOM 648 NH2 ARG A 46 8.556 23.601 -6.023 1.00 0.00 N ATOM 0 H ARG A 46 4.116 17.029 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 46 6.884 17.867 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.152 18.747 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.903 18.749 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.195 20.330 -4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.988 20.982 -3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.203 20.231 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.362 19.734 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 46 6.570 22.359 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.691 20.708 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.554 22.094 -5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.687 24.135 -6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.426 24.025 -6.346 1.00 0.00 H new ATOM 662 N GLY A 47 7.536 16.258 -2.882 1.00 0.00 N ATOM 663 CA GLY A 47 7.897 15.046 -2.170 1.00 0.00 C ATOM 664 C GLY A 47 8.354 15.320 -0.751 1.00 0.00 C ATOM 665 O GLY A 47 7.692 16.043 -0.007 1.00 0.00 O ATOM 0 H GLY A 47 8.255 16.982 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.040 14.372 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.692 14.534 -2.712 1.00 0.00 H new ATOM 669 N GLY A 48 9.490 14.740 -0.374 1.00 0.00 N ATOM 670 CA GLY A 48 10.014 14.937 0.964 1.00 0.00 C ATOM 671 C GLY A 48 9.039 14.499 2.039 1.00 0.00 C ATOM 672 O GLY A 48 8.873 15.180 3.051 1.00 0.00 O ATOM 0 H GLY A 48 10.056 14.138 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.944 14.379 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.256 15.990 1.105 1.00 0.00 H new ATOM 676 N ASP A 49 8.391 13.360 1.819 1.00 0.00 N ATOM 677 CA ASP A 49 7.427 12.832 2.777 1.00 0.00 C ATOM 678 C ASP A 49 7.868 11.467 3.296 1.00 0.00 C ATOM 679 O ASP A 49 8.612 10.749 2.629 1.00 0.00 O ATOM 680 CB ASP A 49 6.043 12.725 2.134 1.00 0.00 C ATOM 681 CG ASP A 49 5.590 14.032 1.515 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.765 15.086 2.161 1.00 0.00 O ATOM 683 OD2 ASP A 49 5.058 14.001 0.385 1.00 0.00 O ATOM 0 H ASP A 49 8.516 12.785 0.986 1.00 0.00 H new ATOM 0 HA ASP A 49 7.375 13.521 3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.061 11.950 1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.319 12.413 2.887 1.00 0.00 H new ATOM 688 N ASN A 50 7.403 11.115 4.490 1.00 0.00 N ATOM 689 CA ASN A 50 7.751 9.836 5.100 1.00 0.00 C ATOM 690 C ASN A 50 6.634 8.817 4.899 1.00 0.00 C ATOM 691 O ASN A 50 5.634 8.827 5.617 1.00 0.00 O ATOM 692 CB ASN A 50 8.029 10.018 6.593 1.00 0.00 C ATOM 693 CG ASN A 50 9.425 10.547 6.861 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.411 9.821 6.735 1.00 0.00 O ATOM 695 ND2 ASN A 50 9.514 11.819 7.233 1.00 0.00 N ATOM 0 H ASN A 50 6.784 11.697 5.055 1.00 0.00 H new ATOM 0 HA ASN A 50 8.652 9.462 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.296 10.705 7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.901 9.063 7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.427 12.231 7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.670 12.384 7.325 1.00 0.00 H new ATOM 702 N VAL A 51 6.812 7.936 3.920 1.00 0.00 N ATOM 703 CA VAL A 51 5.821 6.908 3.625 1.00 0.00 C ATOM 704 C VAL A 51 6.165 5.597 4.323 1.00 0.00 C ATOM 705 O VAL A 51 7.316 5.161 4.312 1.00 0.00 O ATOM 706 CB VAL A 51 5.706 6.656 2.110 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.817 5.453 1.835 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.175 7.894 1.404 1.00 0.00 C ATOM 0 H VAL A 51 7.634 7.914 3.317 1.00 0.00 H new ATOM 0 HA VAL A 51 4.865 7.275 3.998 1.00 0.00 H new ATOM 0 HB VAL A 51 6.700 6.440 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.747 5.290 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.244 4.569 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.821 5.636 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.100 7.699 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.189 8.143 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.855 8.729 1.574 1.00 0.00 H new ATOM 718 N GLN A 52 5.159 4.974 4.929 1.00 0.00 N ATOM 719 CA GLN A 52 5.356 3.712 5.632 1.00 0.00 C ATOM 720 C GLN A 52 4.490 2.611 5.028 1.00 0.00 C ATOM 721 O GLN A 52 3.262 2.664 5.099 1.00 0.00 O ATOM 722 CB GLN A 52 5.032 3.875 7.118 1.00 0.00 C ATOM 723 CG GLN A 52 6.195 4.406 7.940 1.00 0.00 C ATOM 724 CD GLN A 52 7.178 3.320 8.330 1.00 0.00 C ATOM 725 OE1 GLN A 52 7.767 2.663 7.471 1.00 0.00 O ATOM 726 NE2 GLN A 52 7.361 3.126 9.630 1.00 0.00 N ATOM 0 H GLN A 52 4.200 5.322 4.947 1.00 0.00 H new ATOM 0 HA GLN A 52 6.402 3.426 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.184 4.552 7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.723 2.911 7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.716 5.175 7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.810 4.883 8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.852 3.694 10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.011 2.409 9.952 1.00 0.00 H new ATOM 735 N VAL A 53 5.138 1.615 4.433 1.00 0.00 N ATOM 736 CA VAL A 53 4.427 0.501 3.817 1.00 0.00 C ATOM 737 C VAL A 53 4.822 -0.825 4.457 1.00 0.00 C ATOM 738 O VAL A 53 6.005 -1.152 4.553 1.00 0.00 O ATOM 739 CB VAL A 53 4.701 0.429 2.303 1.00 0.00 C ATOM 740 CG1 VAL A 53 3.863 -0.666 1.660 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.428 1.774 1.648 1.00 0.00 C ATOM 0 H VAL A 53 6.154 1.557 4.364 1.00 0.00 H new ATOM 0 HA VAL A 53 3.363 0.676 3.979 1.00 0.00 H new ATOM 0 HB VAL A 53 5.752 0.184 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.070 -0.702 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.112 -1.627 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.805 -0.455 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.627 1.705 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.386 2.051 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.076 2.532 2.089 1.00 0.00 H new ATOM 751 N ALA A 54 3.824 -1.585 4.894 1.00 0.00 N ATOM 752 CA ALA A 54 4.066 -2.877 5.524 1.00 0.00 C ATOM 753 C ALA A 54 2.844 -3.782 5.410 1.00 0.00 C ATOM 754 O ALA A 54 1.741 -3.404 5.803 1.00 0.00 O ATOM 755 CB ALA A 54 4.452 -2.689 6.984 1.00 0.00 C ATOM 0 H ALA A 54 2.839 -1.328 4.823 1.00 0.00 H new ATOM 0 HA ALA A 54 4.892 -3.359 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.630 -3.662 7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.359 -2.088 7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.644 -2.182 7.512 1.00 0.00 H new ATOM 761 N VAL A 55 3.048 -4.979 4.868 1.00 0.00 N ATOM 762 CA VAL A 55 1.962 -5.938 4.703 1.00 0.00 C ATOM 763 C VAL A 55 2.121 -7.118 5.655 1.00 0.00 C ATOM 764 O VAL A 55 3.197 -7.709 5.753 1.00 0.00 O ATOM 765 CB VAL A 55 1.894 -6.464 3.257 1.00 0.00 C ATOM 766 CG1 VAL A 55 0.616 -7.260 3.038 1.00 0.00 C ATOM 767 CG2 VAL A 55 1.991 -5.314 2.266 1.00 0.00 C ATOM 0 H VAL A 55 3.955 -5.307 4.536 1.00 0.00 H new ATOM 0 HA VAL A 55 1.036 -5.411 4.934 1.00 0.00 H new ATOM 0 HB VAL A 55 2.742 -7.129 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.585 -7.624 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.593 -8.107 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.247 -6.620 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.941 -5.704 1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.165 -4.622 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.936 -4.790 2.408 1.00 0.00 H new ATOM 777 N VAL A 56 1.043 -7.457 6.354 1.00 0.00 N ATOM 778 CA VAL A 56 1.062 -8.568 7.297 1.00 0.00 C ATOM 779 C VAL A 56 -0.165 -9.457 7.125 1.00 0.00 C ATOM 780 O VAL A 56 -1.290 -8.981 6.974 1.00 0.00 O ATOM 781 CB VAL A 56 1.119 -8.068 8.753 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.465 -9.209 9.697 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.122 -6.932 8.887 1.00 0.00 C ATOM 0 H VAL A 56 0.145 -6.978 6.285 1.00 0.00 H new ATOM 0 HA VAL A 56 1.960 -9.148 7.084 1.00 0.00 H new ATOM 0 HB VAL A 56 0.135 -7.688 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.501 -8.836 10.721 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.706 -9.987 9.620 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.437 -9.622 9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.149 -6.591 9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.111 -7.284 8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.825 -6.106 8.241 1.00 0.00 H new ATOM 793 N PRO A 57 0.055 -10.780 7.148 1.00 0.00 N ATOM 794 CA PRO A 57 -1.021 -11.764 6.996 1.00 0.00 C ATOM 795 C PRO A 57 -1.950 -11.798 8.206 1.00 0.00 C ATOM 796 O PRO A 57 -1.496 -11.875 9.348 1.00 0.00 O ATOM 797 CB PRO A 57 -0.271 -13.092 6.860 1.00 0.00 C ATOM 798 CG PRO A 57 1.030 -12.864 7.550 1.00 0.00 C ATOM 799 CD PRO A 57 1.371 -11.417 7.324 1.00 0.00 C ATOM 0 HA PRO A 57 -1.666 -11.535 6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.826 -13.909 7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.123 -13.358 5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.951 -13.085 8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.805 -13.515 7.146 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.912 -10.995 8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.002 -11.285 6.445 1.00 0.00 H new ATOM 807 N LYS A 58 -3.252 -11.741 7.947 1.00 0.00 N ATOM 808 CA LYS A 58 -4.246 -11.767 9.014 1.00 0.00 C ATOM 809 C LYS A 58 -4.197 -13.091 9.770 1.00 0.00 C ATOM 810 O LYS A 58 -4.765 -13.218 10.855 1.00 0.00 O ATOM 811 CB LYS A 58 -5.647 -11.547 8.439 1.00 0.00 C ATOM 812 CG LYS A 58 -6.629 -10.961 9.438 1.00 0.00 C ATOM 813 CD LYS A 58 -7.726 -10.172 8.744 1.00 0.00 C ATOM 814 CE LYS A 58 -8.997 -10.132 9.579 1.00 0.00 C ATOM 815 NZ LYS A 58 -9.780 -8.888 9.338 1.00 0.00 N ATOM 0 H LYS A 58 -3.644 -11.676 7.007 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.016 -10.962 9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.577 -10.882 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.035 -12.499 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.073 -11.764 10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.098 -10.312 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.381 -9.155 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.940 -10.621 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.613 -11.000 9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.739 -10.200 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.638 -8.899 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.201 -8.060 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.048 -8.835 8.334 1.00 0.00 H new ATOM 829 N ASP A 59 -3.514 -14.073 9.192 1.00 0.00 N ATOM 830 CA ASP A 59 -3.389 -15.386 9.813 1.00 0.00 C ATOM 831 C ASP A 59 -2.285 -15.387 10.866 1.00 0.00 C ATOM 832 O ASP A 59 -2.545 -15.573 12.055 1.00 0.00 O ATOM 833 CB ASP A 59 -3.101 -16.450 8.753 1.00 0.00 C ATOM 834 CG ASP A 59 -4.328 -16.797 7.933 1.00 0.00 C ATOM 835 OD1 ASP A 59 -5.102 -15.874 7.604 1.00 0.00 O ATOM 836 OD2 ASP A 59 -4.514 -17.992 7.619 1.00 0.00 O ATOM 0 H ASP A 59 -3.038 -13.984 8.294 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.334 -15.620 10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.313 -16.094 8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.726 -17.351 9.239 1.00 0.00 H new ATOM 841 N LYS A 60 -1.051 -15.178 10.421 1.00 0.00 N ATOM 842 CA LYS A 60 0.095 -15.154 11.323 1.00 0.00 C ATOM 843 C LYS A 60 0.608 -13.731 11.513 1.00 0.00 C ATOM 844 O LYS A 60 0.282 -12.833 10.736 1.00 0.00 O ATOM 845 CB LYS A 60 1.216 -16.044 10.781 1.00 0.00 C ATOM 846 CG LYS A 60 1.244 -16.130 9.265 1.00 0.00 C ATOM 847 CD LYS A 60 0.271 -17.176 8.747 1.00 0.00 C ATOM 848 CE LYS A 60 0.930 -18.543 8.634 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.012 -19.572 8.114 1.00 0.00 N ATOM 0 H LYS A 60 -0.818 -15.023 9.440 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.228 -15.537 12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.174 -15.662 11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.103 -17.047 11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.995 -15.158 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.253 -16.374 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.587 -17.239 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.107 -16.871 7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.795 -18.476 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.299 -18.850 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.475 -20.489 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.825 -19.655 8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.345 -19.292 7.169 1.00 0.00 H new ATOM 863 N LYS A 61 1.413 -13.531 12.551 1.00 0.00 N ATOM 864 CA LYS A 61 1.975 -12.217 12.842 1.00 0.00 C ATOM 865 C LYS A 61 3.496 -12.240 12.741 1.00 0.00 C ATOM 866 O LYS A 61 4.117 -11.254 12.343 1.00 0.00 O ATOM 867 CB LYS A 61 1.553 -11.758 14.240 1.00 0.00 C ATOM 868 CG LYS A 61 2.545 -10.811 14.894 1.00 0.00 C ATOM 869 CD LYS A 61 2.576 -9.464 14.192 1.00 0.00 C ATOM 870 CE LYS A 61 2.992 -8.351 15.141 1.00 0.00 C ATOM 871 NZ LYS A 61 2.018 -8.179 16.255 1.00 0.00 N ATOM 0 H LYS A 61 1.691 -14.262 13.205 1.00 0.00 H new ATOM 0 HA LYS A 61 1.591 -11.514 12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.583 -11.266 14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.424 -12.633 14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.279 -10.670 15.942 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.540 -11.255 14.875 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.270 -9.506 13.352 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.591 -9.244 13.781 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.977 -8.573 15.551 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.080 -7.416 14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.062 -7.201 16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.058 -8.381 15.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.254 -8.835 17.027 1.00 0.00 H new ATOM 885 N ASP A 62 4.091 -13.372 13.101 1.00 0.00 N ATOM 886 CA ASP A 62 5.540 -13.525 13.048 1.00 0.00 C ATOM 887 C ASP A 62 6.013 -13.728 11.612 1.00 0.00 C ATOM 888 O ASP A 62 7.212 -13.702 11.333 1.00 0.00 O ATOM 889 CB ASP A 62 5.982 -14.704 13.916 1.00 0.00 C ATOM 890 CG ASP A 62 5.845 -14.417 15.398 1.00 0.00 C ATOM 891 OD1 ASP A 62 6.591 -13.555 15.907 1.00 0.00 O ATOM 892 OD2 ASP A 62 4.990 -15.053 16.048 1.00 0.00 O ATOM 0 H ASP A 62 3.592 -14.197 13.433 1.00 0.00 H new ATOM 0 HA ASP A 62 5.991 -12.611 13.434 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.387 -15.581 13.662 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.020 -14.948 13.691 1.00 0.00 H new ATOM 897 N SER A 63 5.063 -13.931 10.705 1.00 0.00 N ATOM 898 CA SER A 63 5.383 -14.144 9.298 1.00 0.00 C ATOM 899 C SER A 63 5.077 -12.895 8.477 1.00 0.00 C ATOM 900 O SER A 63 3.957 -12.687 8.010 1.00 0.00 O ATOM 901 CB SER A 63 4.595 -15.335 8.749 1.00 0.00 C ATOM 902 OG SER A 63 5.241 -15.896 7.619 1.00 0.00 O ATOM 0 H SER A 63 4.066 -13.953 10.919 1.00 0.00 H new ATOM 0 HA SER A 63 6.449 -14.356 9.221 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.488 -16.093 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.590 -15.015 8.476 1.00 0.00 H new ATOM 0 HG SER A 63 4.719 -16.656 7.288 1.00 0.00 H new ATOM 908 N PRO A 64 6.097 -12.043 8.295 1.00 0.00 N ATOM 909 CA PRO A 64 5.964 -10.800 7.529 1.00 0.00 C ATOM 910 C PRO A 64 5.783 -11.056 6.037 1.00 0.00 C ATOM 911 O PRO A 64 5.667 -12.201 5.602 1.00 0.00 O ATOM 912 CB PRO A 64 7.287 -10.078 7.792 1.00 0.00 C ATOM 913 CG PRO A 64 8.254 -11.165 8.116 1.00 0.00 C ATOM 914 CD PRO A 64 7.460 -12.228 8.823 1.00 0.00 C ATOM 0 HA PRO A 64 5.085 -10.229 7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.608 -9.510 6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.195 -9.371 8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.715 -11.560 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.060 -10.794 8.749 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.843 -13.226 8.607 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.493 -12.101 9.905 1.00 0.00 H new ATOM 922 N VAL A 65 5.759 -9.980 5.256 1.00 0.00 N ATOM 923 CA VAL A 65 5.594 -10.088 3.811 1.00 0.00 C ATOM 924 C VAL A 65 6.586 -9.193 3.077 1.00 0.00 C ATOM 925 O VAL A 65 6.836 -8.059 3.486 1.00 0.00 O ATOM 926 CB VAL A 65 4.164 -9.713 3.381 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.106 -9.459 1.882 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.183 -10.804 3.783 1.00 0.00 C ATOM 0 H VAL A 65 5.852 -9.024 5.600 1.00 0.00 H new ATOM 0 HA VAL A 65 5.784 -11.128 3.547 1.00 0.00 H new ATOM 0 HB VAL A 65 3.879 -8.794 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.088 -9.195 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.778 -8.640 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.411 -10.359 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.177 -10.522 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.463 -11.741 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.205 -10.932 4.865 1.00 0.00 H new ATOM 938 N ARG A 66 7.148 -9.710 1.989 1.00 0.00 N ATOM 939 CA ARG A 66 8.113 -8.958 1.197 1.00 0.00 C ATOM 940 C ARG A 66 7.480 -7.692 0.627 1.00 0.00 C ATOM 941 O ARG A 66 6.414 -7.740 0.011 1.00 0.00 O ATOM 942 CB ARG A 66 8.658 -9.825 0.060 1.00 0.00 C ATOM 943 CG ARG A 66 9.759 -10.778 0.495 1.00 0.00 C ATOM 944 CD ARG A 66 10.211 -11.667 -0.652 1.00 0.00 C ATOM 945 NE ARG A 66 11.520 -12.263 -0.399 1.00 0.00 N ATOM 946 CZ ARG A 66 12.028 -13.256 -1.122 1.00 0.00 C ATOM 947 NH1 ARG A 66 11.340 -13.760 -2.137 1.00 0.00 N ATOM 948 NH2 ARG A 66 13.226 -13.745 -0.830 1.00 0.00 N ATOM 0 H ARG A 66 6.951 -10.647 1.636 1.00 0.00 H new ATOM 0 HA ARG A 66 8.936 -8.669 1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.839 -10.401 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.041 -9.177 -0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.608 -10.207 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.402 -11.397 1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.477 -12.457 -0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.251 -11.082 -1.571 1.00 0.00 H new ATOM 0 HE ARG A 66 12.075 -11.897 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.419 -13.386 -2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.732 -14.522 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.758 -13.359 -0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.615 -14.507 -1.385 1.00 0.00 H new ATOM 962 N THR A 67 8.143 -6.559 0.836 1.00 0.00 N ATOM 963 CA THR A 67 7.645 -5.280 0.345 1.00 0.00 C ATOM 964 C THR A 67 8.767 -4.453 -0.272 1.00 0.00 C ATOM 965 O THR A 67 9.946 -4.715 -0.034 1.00 0.00 O ATOM 966 CB THR A 67 6.982 -4.465 1.472 1.00 0.00 C ATOM 967 OG1 THR A 67 7.774 -4.541 2.663 1.00 0.00 O ATOM 968 CG2 THR A 67 5.579 -4.978 1.757 1.00 0.00 C ATOM 0 H THR A 67 9.027 -6.501 1.342 1.00 0.00 H new ATOM 0 HA THR A 67 6.900 -5.503 -0.419 1.00 0.00 H new ATOM 0 HB THR A 67 6.913 -3.427 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.347 -4.019 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.131 -4.387 2.556 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.970 -4.892 0.857 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.629 -6.023 2.063 1.00 0.00 H new ATOM 976 N MET A 68 8.393 -3.454 -1.065 1.00 0.00 N ATOM 977 CA MET A 68 9.370 -2.588 -1.714 1.00 0.00 C ATOM 978 C MET A 68 8.859 -1.153 -1.788 1.00 0.00 C ATOM 979 O MET A 68 7.660 -0.917 -1.944 1.00 0.00 O ATOM 980 CB MET A 68 9.684 -3.103 -3.120 1.00 0.00 C ATOM 981 CG MET A 68 11.090 -2.765 -3.590 1.00 0.00 C ATOM 982 SD MET A 68 11.187 -1.150 -4.386 1.00 0.00 S ATOM 983 CE MET A 68 12.422 -1.466 -5.644 1.00 0.00 C ATOM 0 H MET A 68 7.421 -3.225 -1.273 1.00 0.00 H new ATOM 0 HA MET A 68 10.283 -2.600 -1.118 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.553 -4.185 -3.140 1.00 0.00 H new ATOM 0 HB3 MET A 68 8.964 -2.682 -3.822 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.769 -2.787 -2.738 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.430 -3.531 -4.288 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.441 -0.637 -6.352 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.401 -1.565 -5.176 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.177 -2.388 -6.171 1.00 0.00 H new ATOM 993 N VAL A 69 9.775 -0.196 -1.676 1.00 0.00 N ATOM 994 CA VAL A 69 9.417 1.216 -1.731 1.00 0.00 C ATOM 995 C VAL A 69 10.517 2.036 -2.395 1.00 0.00 C ATOM 996 O VAL A 69 11.640 2.106 -1.896 1.00 0.00 O ATOM 997 CB VAL A 69 9.148 1.782 -0.324 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.425 1.787 0.503 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.558 3.181 -0.416 1.00 0.00 C ATOM 0 H VAL A 69 10.771 -0.373 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 69 8.505 1.289 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 69 8.423 1.139 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.215 2.190 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.801 0.768 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.175 2.406 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.374 3.565 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.257 3.838 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.619 3.144 -0.968 1.00 0.00 H new ATOM 1009 N GLN A 70 10.186 2.656 -3.523 1.00 0.00 N ATOM 1010 CA GLN A 70 11.147 3.472 -4.256 1.00 0.00 C ATOM 1011 C GLN A 70 10.742 4.943 -4.232 1.00 0.00 C ATOM 1012 O GLN A 70 9.979 5.401 -5.082 1.00 0.00 O ATOM 1013 CB GLN A 70 11.262 2.987 -5.702 1.00 0.00 C ATOM 1014 CG GLN A 70 12.626 3.241 -6.322 1.00 0.00 C ATOM 1015 CD GLN A 70 13.644 2.181 -5.950 1.00 0.00 C ATOM 1016 OE1 GLN A 70 14.010 2.037 -4.783 1.00 0.00 O ATOM 1017 NE2 GLN A 70 14.106 1.430 -6.943 1.00 0.00 N ATOM 0 H GLN A 70 9.260 2.609 -3.949 1.00 0.00 H new ATOM 0 HA GLN A 70 12.117 3.372 -3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.050 1.918 -5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.500 3.482 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.526 3.278 -7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.990 4.217 -6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.775 1.584 -7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.792 0.699 -6.753 1.00 0.00 H new ATOM 1026 N ASP A 71 11.259 5.677 -3.253 1.00 0.00 N ATOM 1027 CA ASP A 71 10.952 7.096 -3.118 1.00 0.00 C ATOM 1028 C ASP A 71 11.269 7.846 -4.409 1.00 0.00 C ATOM 1029 O ASP A 71 12.341 7.678 -4.988 1.00 0.00 O ATOM 1030 CB ASP A 71 11.740 7.702 -1.955 1.00 0.00 C ATOM 1031 CG ASP A 71 11.150 9.014 -1.477 1.00 0.00 C ATOM 1032 OD1 ASP A 71 10.424 9.659 -2.263 1.00 0.00 O ATOM 1033 OD2 ASP A 71 11.414 9.397 -0.318 1.00 0.00 O ATOM 0 H ASP A 71 11.893 5.313 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 71 9.886 7.194 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.762 6.994 -1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.773 7.863 -2.264 1.00 0.00 H new ATOM 1038 N ASN A 72 10.328 8.672 -4.854 1.00 0.00 N ATOM 1039 CA ASN A 72 10.506 9.445 -6.077 1.00 0.00 C ATOM 1040 C ASN A 72 10.796 10.909 -5.758 1.00 0.00 C ATOM 1041 O ASN A 72 11.556 11.571 -6.465 1.00 0.00 O ATOM 1042 CB ASN A 72 9.259 9.341 -6.957 1.00 0.00 C ATOM 1043 CG ASN A 72 9.322 8.165 -7.913 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.058 8.191 -8.899 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.547 7.126 -7.623 1.00 0.00 N ATOM 0 H ASN A 72 9.434 8.823 -4.386 1.00 0.00 H new ATOM 0 HA ASN A 72 11.359 9.033 -6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.378 9.244 -6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.142 10.263 -7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.546 6.305 -8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.953 7.149 -6.794 1.00 0.00 H new ATOM 1052 N LYS A 73 10.187 11.407 -4.687 1.00 0.00 N ATOM 1053 CA LYS A 73 10.380 12.791 -4.271 1.00 0.00 C ATOM 1054 C LYS A 73 9.892 13.756 -5.347 1.00 0.00 C ATOM 1055 O LYS A 73 10.457 14.834 -5.530 1.00 0.00 O ATOM 1056 CB LYS A 73 11.857 13.053 -3.968 1.00 0.00 C ATOM 1057 CG LYS A 73 12.453 12.082 -2.963 1.00 0.00 C ATOM 1058 CD LYS A 73 13.000 10.839 -3.644 1.00 0.00 C ATOM 1059 CE LYS A 73 14.104 10.193 -2.822 1.00 0.00 C ATOM 1060 NZ LYS A 73 15.336 11.029 -2.793 1.00 0.00 N ATOM 0 H LYS A 73 9.555 10.872 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 73 9.795 12.957 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.425 12.996 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.967 14.069 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.252 12.575 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.692 11.795 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.193 10.123 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.385 11.102 -4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.751 10.031 -1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.340 9.213 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.153 10.434 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.487 11.457 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.229 11.781 -2.082 1.00 0.00 H new ATOM 1074 N ASP A 74 8.840 13.362 -6.056 1.00 0.00 N ATOM 1075 CA ASP A 74 8.274 14.193 -7.112 1.00 0.00 C ATOM 1076 C ASP A 74 6.787 14.434 -6.877 1.00 0.00 C ATOM 1077 O ASP A 74 6.235 15.445 -7.308 1.00 0.00 O ATOM 1078 CB ASP A 74 8.488 13.536 -8.477 1.00 0.00 C ATOM 1079 CG ASP A 74 7.511 14.040 -9.521 1.00 0.00 C ATOM 1080 OD1 ASP A 74 7.593 15.232 -9.885 1.00 0.00 O ATOM 1081 OD2 ASP A 74 6.665 13.242 -9.975 1.00 0.00 O ATOM 0 H ASP A 74 8.362 12.472 -5.918 1.00 0.00 H new ATOM 0 HA ASP A 74 8.786 15.155 -7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.507 13.728 -8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.384 12.456 -8.377 1.00 0.00 H new ATOM 1086 N GLY A 75 6.142 13.495 -6.189 1.00 0.00 N ATOM 1087 CA GLY A 75 4.724 13.624 -5.910 1.00 0.00 C ATOM 1088 C GLY A 75 4.007 12.288 -5.923 1.00 0.00 C ATOM 1089 O GLY A 75 2.859 12.185 -5.488 1.00 0.00 O ATOM 0 H GLY A 75 6.576 12.649 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.590 14.096 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.270 14.284 -6.649 1.00 0.00 H new ATOM 1093 N THR A 76 4.684 11.260 -6.425 1.00 0.00 N ATOM 1094 CA THR A 76 4.104 9.925 -6.496 1.00 0.00 C ATOM 1095 C THR A 76 5.105 8.866 -6.047 1.00 0.00 C ATOM 1096 O THR A 76 6.226 8.803 -6.553 1.00 0.00 O ATOM 1097 CB THR A 76 3.629 9.594 -7.924 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.631 9.973 -8.874 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.326 10.310 -8.240 1.00 0.00 C ATOM 0 H THR A 76 5.635 11.327 -6.788 1.00 0.00 H new ATOM 0 HA THR A 76 3.245 9.917 -5.825 1.00 0.00 H new ATOM 0 HB THR A 76 3.458 8.519 -7.987 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.520 9.816 -8.492 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.010 10.061 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.558 9.996 -7.533 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.474 11.387 -8.160 1.00 0.00 H new ATOM 1107 N TYR A 77 4.693 8.035 -5.096 1.00 0.00 N ATOM 1108 CA TYR A 77 5.555 6.979 -4.578 1.00 0.00 C ATOM 1109 C TYR A 77 5.306 5.664 -5.310 1.00 0.00 C ATOM 1110 O TYR A 77 4.228 5.443 -5.863 1.00 0.00 O ATOM 1111 CB TYR A 77 5.323 6.793 -3.078 1.00 0.00 C ATOM 1112 CG TYR A 77 5.934 7.885 -2.230 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.256 9.077 -2.003 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.190 7.726 -1.657 1.00 0.00 C ATOM 1115 CE1 TYR A 77 5.811 10.078 -1.230 1.00 0.00 C ATOM 1116 CE2 TYR A 77 7.752 8.722 -0.881 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.059 9.896 -0.671 1.00 0.00 C ATOM 1118 OH TYR A 77 7.615 10.890 0.101 1.00 0.00 O ATOM 0 H TYR A 77 3.768 8.072 -4.668 1.00 0.00 H new ATOM 0 HA TYR A 77 6.591 7.276 -4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.251 6.754 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.737 5.832 -2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.279 9.223 -2.439 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.736 6.809 -1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.271 10.998 -1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.728 8.582 -0.441 1.00 0.00 H new ATOM 0 HH TYR A 77 7.936 10.508 0.944 1.00 0.00 H new ATOM 1128 N TYR A 78 6.310 4.794 -5.308 1.00 0.00 N ATOM 1129 CA TYR A 78 6.202 3.501 -5.973 1.00 0.00 C ATOM 1130 C TYR A 78 6.350 2.360 -4.972 1.00 0.00 C ATOM 1131 O TYR A 78 7.452 2.061 -4.513 1.00 0.00 O ATOM 1132 CB TYR A 78 7.264 3.376 -7.067 1.00 0.00 C ATOM 1133 CG TYR A 78 6.859 2.466 -8.204 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.597 2.561 -8.779 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.736 1.511 -8.703 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.222 1.732 -9.818 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.369 0.679 -9.742 1.00 0.00 C ATOM 1138 CZ TYR A 78 6.111 0.792 -10.297 1.00 0.00 C ATOM 1139 OH TYR A 78 5.742 -0.036 -11.331 1.00 0.00 O ATOM 0 H TYR A 78 7.208 4.961 -4.853 1.00 0.00 H new ATOM 0 HA TYR A 78 5.213 3.436 -6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.481 4.367 -7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.187 3.001 -6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.898 3.295 -8.407 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.721 1.418 -8.271 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.238 1.819 -10.253 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.064 -0.057 -10.119 1.00 0.00 H new ATOM 0 HH TYR A 78 6.484 -0.638 -11.548 1.00 0.00 H new ATOM 1149 N ILE A 79 5.230 1.726 -4.638 1.00 0.00 N ATOM 1150 CA ILE A 79 5.234 0.616 -3.693 1.00 0.00 C ATOM 1151 C ILE A 79 4.910 -0.701 -4.390 1.00 0.00 C ATOM 1152 O ILE A 79 4.069 -0.749 -5.287 1.00 0.00 O ATOM 1153 CB ILE A 79 4.224 0.844 -2.554 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.513 2.167 -1.842 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.267 -0.315 -1.568 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.292 2.789 -1.202 1.00 0.00 C ATOM 0 H ILE A 79 4.309 1.962 -5.008 1.00 0.00 H new ATOM 0 HA ILE A 79 6.238 0.563 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 79 3.223 0.895 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.269 2.000 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.936 2.871 -2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.547 -0.139 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.016 -1.242 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.268 -0.395 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.572 3.724 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.542 2.988 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.881 2.104 -0.461 1.00 0.00 H new ATOM 1168 N SER A 80 5.582 -1.768 -3.970 1.00 0.00 N ATOM 1169 CA SER A 80 5.367 -3.086 -4.555 1.00 0.00 C ATOM 1170 C SER A 80 5.491 -4.177 -3.496 1.00 0.00 C ATOM 1171 O SER A 80 6.364 -4.120 -2.629 1.00 0.00 O ATOM 1172 CB SER A 80 6.370 -3.337 -5.682 1.00 0.00 C ATOM 1173 OG SER A 80 5.986 -4.453 -6.467 1.00 0.00 O ATOM 0 H SER A 80 6.280 -1.745 -3.227 1.00 0.00 H new ATOM 0 HA SER A 80 4.357 -3.114 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.441 -2.451 -6.314 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.360 -3.508 -5.260 1.00 0.00 H new ATOM 0 HG SER A 80 6.642 -4.592 -7.182 1.00 0.00 H new ATOM 1179 N TYR A 81 4.613 -5.171 -3.573 1.00 0.00 N ATOM 1180 CA TYR A 81 4.622 -6.275 -2.620 1.00 0.00 C ATOM 1181 C TYR A 81 4.255 -7.588 -3.305 1.00 0.00 C ATOM 1182 O TYR A 81 3.536 -7.602 -4.305 1.00 0.00 O ATOM 1183 CB TYR A 81 3.648 -5.995 -1.474 1.00 0.00 C ATOM 1184 CG TYR A 81 2.194 -6.103 -1.875 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.582 -7.343 -2.013 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.433 -4.966 -2.115 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.254 -7.447 -2.380 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.104 -5.061 -2.480 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.481 -6.303 -2.612 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.804 -6.402 -2.977 1.00 0.00 O ATOM 0 H TYR A 81 3.886 -5.235 -4.286 1.00 0.00 H new ATOM 0 HA TYR A 81 5.631 -6.366 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.845 -6.695 -0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.836 -4.994 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.154 -8.241 -1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.888 -3.992 -2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.206 -8.419 -2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.474 -4.167 -2.661 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.177 -5.504 -3.101 1.00 0.00 H new ATOM 1200 N THR A 82 4.754 -8.692 -2.758 1.00 0.00 N ATOM 1201 CA THR A 82 4.481 -10.011 -3.315 1.00 0.00 C ATOM 1202 C THR A 82 4.224 -11.031 -2.211 1.00 0.00 C ATOM 1203 O THR A 82 5.112 -11.370 -1.428 1.00 0.00 O ATOM 1204 CB THR A 82 5.647 -10.504 -4.192 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.980 -9.509 -5.167 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.287 -11.806 -4.891 1.00 0.00 C ATOM 0 H THR A 82 5.349 -8.699 -1.930 1.00 0.00 H new ATOM 0 HA THR A 82 3.588 -9.914 -3.933 1.00 0.00 H new ATOM 0 HB THR A 82 6.507 -10.683 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.969 -9.911 -6.061 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.126 -12.134 -5.504 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.062 -12.569 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.414 -11.649 -5.525 1.00 0.00 H new ATOM 1214 N PRO A 83 2.983 -11.534 -2.146 1.00 0.00 N ATOM 1215 CA PRO A 83 2.581 -12.524 -1.142 1.00 0.00 C ATOM 1216 C PRO A 83 3.225 -13.885 -1.380 1.00 0.00 C ATOM 1217 O PRO A 83 3.327 -14.345 -2.518 1.00 0.00 O ATOM 1218 CB PRO A 83 1.063 -12.612 -1.318 1.00 0.00 C ATOM 1219 CG PRO A 83 0.821 -12.199 -2.729 1.00 0.00 C ATOM 1220 CD PRO A 83 1.875 -11.175 -3.047 1.00 0.00 C ATOM 0 HA PRO A 83 2.891 -12.235 -0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.701 -13.624 -1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.545 -11.956 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.890 -13.053 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.178 -11.780 -2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.177 -11.221 -4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.519 -10.161 -2.862 1.00 0.00 H new ATOM 1228 N LYS A 84 3.659 -14.527 -0.301 1.00 0.00 N ATOM 1229 CA LYS A 84 4.292 -15.837 -0.391 1.00 0.00 C ATOM 1230 C LYS A 84 3.260 -16.951 -0.250 1.00 0.00 C ATOM 1231 O LYS A 84 3.460 -18.061 -0.743 1.00 0.00 O ATOM 1232 CB LYS A 84 5.366 -15.983 0.689 1.00 0.00 C ATOM 1233 CG LYS A 84 6.558 -15.062 0.490 1.00 0.00 C ATOM 1234 CD LYS A 84 7.454 -15.038 1.717 1.00 0.00 C ATOM 1235 CE LYS A 84 8.192 -16.356 1.894 1.00 0.00 C ATOM 1236 NZ LYS A 84 9.123 -16.319 3.056 1.00 0.00 N ATOM 0 H LYS A 84 3.584 -14.160 0.648 1.00 0.00 H new ATOM 0 HA LYS A 84 4.759 -15.920 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.920 -15.781 1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.714 -17.016 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.133 -15.391 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.207 -14.053 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.175 -14.225 1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.853 -14.834 2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.470 -17.161 2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.752 -16.583 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.607 -17.236 3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.828 -15.568 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.586 -16.128 3.926 1.00 0.00 H new ATOM 1250 N GLU A 85 2.155 -16.646 0.423 1.00 0.00 N ATOM 1251 CA GLU A 85 1.092 -17.623 0.627 1.00 0.00 C ATOM 1252 C GLU A 85 -0.278 -16.991 0.400 1.00 0.00 C ATOM 1253 O GLU A 85 -0.503 -15.815 0.687 1.00 0.00 O ATOM 1254 CB GLU A 85 1.168 -18.205 2.040 1.00 0.00 C ATOM 1255 CG GLU A 85 2.353 -19.133 2.253 1.00 0.00 C ATOM 1256 CD GLU A 85 2.366 -19.755 3.636 1.00 0.00 C ATOM 1257 OE1 GLU A 85 2.815 -19.080 4.586 1.00 0.00 O ATOM 1258 OE2 GLU A 85 1.926 -20.916 3.768 1.00 0.00 O ATOM 0 H GLU A 85 1.973 -15.731 0.836 1.00 0.00 H new ATOM 0 HA GLU A 85 1.228 -18.426 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.224 -17.387 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.248 -18.750 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.330 -19.924 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.278 -18.576 2.100 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.217 -17.789 -0.131 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.581 -17.331 -0.409 1.00 0.00 C ATOM 1267 C PRO A 86 -3.379 -17.075 0.865 1.00 0.00 C ATOM 1268 O PRO A 86 -3.079 -17.635 1.919 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.191 -18.492 -1.198 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.414 -19.689 -0.772 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.019 -19.202 -0.498 1.00 0.00 C ATOM 0 HA PRO A 86 -2.590 -16.382 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.252 -18.608 -0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.108 -18.328 -2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.851 -20.141 0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.415 -20.452 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.548 -19.764 0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.378 -19.304 -1.374 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.396 -16.226 0.761 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.221 -15.912 1.912 1.00 0.00 C ATOM 1281 C GLY A 87 -5.556 -14.436 2.000 1.00 0.00 C ATOM 1282 O GLY A 87 -5.775 -13.780 0.982 1.00 0.00 O ATOM 0 H GLY A 87 -4.663 -15.750 -0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.145 -16.489 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.703 -16.219 2.821 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.599 -13.912 3.221 1.00 0.00 N ATOM 1287 CA VAL A 88 -5.910 -12.505 3.439 1.00 0.00 C ATOM 1288 C VAL A 88 -4.745 -11.780 4.104 1.00 0.00 C ATOM 1289 O VAL A 88 -4.106 -12.313 5.011 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.170 -12.337 4.310 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -6.962 -12.971 5.677 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.531 -10.865 4.445 1.00 0.00 C ATOM 0 H VAL A 88 -5.422 -14.442 4.075 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.094 -12.066 2.458 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.000 -12.848 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.862 -12.843 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.754 -14.034 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.120 -12.491 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.423 -10.764 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.704 -10.329 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.725 -10.446 3.458 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.475 -10.563 3.647 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.385 -9.765 4.196 1.00 0.00 C ATOM 1304 C TYR A 89 -3.861 -8.357 4.541 1.00 0.00 C ATOM 1305 O TYR A 89 -4.927 -7.924 4.105 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.225 -9.694 3.201 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.484 -11.001 3.040 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.037 -12.053 2.320 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.229 -11.185 3.608 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.363 -13.250 2.172 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.453 -12.378 3.463 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.119 -13.407 2.745 1.00 0.00 C ATOM 1313 OH TYR A 89 0.557 -14.597 2.598 1.00 0.00 O ATOM 0 H TYR A 89 -4.996 -10.107 2.898 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.041 -10.247 5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.609 -9.382 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.524 -8.926 3.528 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.011 -11.933 1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.221 -10.382 4.172 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.808 -14.058 1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.428 -12.504 3.909 1.00 0.00 H new ATOM 0 HH TYR A 89 0.034 -15.202 2.032 1.00 0.00 H new ATOM 1323 N THR A 90 -3.060 -7.646 5.330 1.00 0.00 N ATOM 1324 CA THR A 90 -3.398 -6.288 5.735 1.00 0.00 C ATOM 1325 C THR A 90 -2.291 -5.310 5.358 1.00 0.00 C ATOM 1326 O THR A 90 -1.208 -5.326 5.943 1.00 0.00 O ATOM 1327 CB THR A 90 -3.648 -6.200 7.253 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.498 -7.274 7.671 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.286 -4.869 7.620 1.00 0.00 C ATOM 0 H THR A 90 -2.174 -7.989 5.700 1.00 0.00 H new ATOM 0 HA THR A 90 -4.313 -6.020 5.207 1.00 0.00 H new ATOM 0 HB THR A 90 -2.688 -6.277 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.651 -7.213 8.637 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.453 -4.830 8.696 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.624 -4.055 7.326 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.239 -4.767 7.101 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.569 -4.458 4.375 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.597 -3.471 3.921 1.00 0.00 C ATOM 1339 C VAL A 91 -1.597 -2.243 4.824 1.00 0.00 C ATOM 1340 O VAL A 91 -2.635 -1.616 5.036 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.881 -3.030 2.472 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.765 -2.133 1.959 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -2.059 -4.243 1.572 1.00 0.00 C ATOM 0 H VAL A 91 -3.460 -4.432 3.878 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.618 -3.948 3.963 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.809 -2.458 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.983 -1.831 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.691 -1.247 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.179 -2.677 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.259 -3.913 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.150 -4.844 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.896 -4.842 1.930 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.427 -1.905 5.353 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.292 -0.751 6.234 1.00 0.00 C ATOM 1355 C TRP A 92 0.323 0.431 5.492 1.00 0.00 C ATOM 1356 O TRP A 92 1.498 0.402 5.123 1.00 0.00 O ATOM 1357 CB TRP A 92 0.566 -1.108 7.449 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.153 -1.956 8.454 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.048 -2.954 8.194 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.039 -1.878 9.879 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.497 -3.502 9.372 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -0.892 -2.860 10.420 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.703 -1.077 10.751 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.023 -3.058 11.792 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.572 -1.275 12.112 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.285 -2.259 12.622 1.00 0.00 C ATOM 0 H TRP A 92 0.442 -2.413 5.187 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.288 -0.466 6.573 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.459 -1.634 7.112 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.900 -0.190 7.932 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.358 -3.267 7.208 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.171 -4.263 9.453 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.367 -0.317 10.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -1.684 -3.815 12.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 1.140 -0.661 12.795 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.365 -2.389 13.691 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.477 1.470 5.276 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.010 2.663 4.579 1.00 0.00 C ATOM 1379 C VAL A 93 -0.288 3.920 5.395 1.00 0.00 C ATOM 1380 O VAL A 93 -1.432 4.363 5.502 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.676 2.803 3.198 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.239 4.093 2.522 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.352 1.598 2.326 1.00 0.00 C ATOM 0 H VAL A 93 -1.452 1.510 5.574 1.00 0.00 H new ATOM 0 HA VAL A 93 1.066 2.551 4.445 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.756 2.843 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.720 4.174 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.526 4.943 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.843 4.088 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.831 1.713 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.727 1.525 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.720 0.692 2.806 1.00 0.00 H new ATOM 1393 N CYS A 94 0.766 4.492 5.968 1.00 0.00 N ATOM 1394 CA CYS A 94 0.635 5.700 6.775 1.00 0.00 C ATOM 1395 C CYS A 94 1.767 6.678 6.477 1.00 0.00 C ATOM 1396 O CYS A 94 2.880 6.271 6.143 1.00 0.00 O ATOM 1397 CB CYS A 94 0.630 5.346 8.263 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.410 3.926 8.681 1.00 0.00 S ATOM 0 H CYS A 94 1.720 4.139 5.889 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.311 6.178 6.519 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.652 5.140 8.580 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.289 6.212 8.830 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.347 3.704 9.960 1.00 0.00 H new ATOM 1404 N ILE A 95 1.473 7.968 6.597 1.00 0.00 N ATOM 1405 CA ILE A 95 2.466 9.004 6.340 1.00 0.00 C ATOM 1406 C ILE A 95 2.640 9.913 7.552 1.00 0.00 C ATOM 1407 O ILE A 95 1.662 10.376 8.140 1.00 0.00 O ATOM 1408 CB ILE A 95 2.081 9.862 5.120 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.015 8.996 3.860 1.00 0.00 C ATOM 1410 CG2 ILE A 95 3.076 10.998 4.937 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.274 9.651 2.715 1.00 0.00 C ATOM 0 H ILE A 95 0.556 8.321 6.870 1.00 0.00 H new ATOM 0 HA ILE A 95 3.407 8.494 6.134 1.00 0.00 H new ATOM 0 HB ILE A 95 1.095 10.293 5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.029 8.759 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.529 8.051 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.791 11.596 4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.078 11.627 5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.073 10.587 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.267 8.981 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.249 9.863 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.772 10.582 2.445 1.00 0.00 H new ATOM 1423 N LYS A 96 3.891 10.165 7.921 1.00 0.00 N ATOM 1424 CA LYS A 96 4.195 11.021 9.061 1.00 0.00 C ATOM 1425 C LYS A 96 3.525 10.499 10.328 1.00 0.00 C ATOM 1426 O LYS A 96 3.012 11.274 11.134 1.00 0.00 O ATOM 1427 CB LYS A 96 3.738 12.455 8.785 1.00 0.00 C ATOM 1428 CG LYS A 96 4.685 13.233 7.887 1.00 0.00 C ATOM 1429 CD LYS A 96 4.154 14.625 7.588 1.00 0.00 C ATOM 1430 CE LYS A 96 5.269 15.568 7.164 1.00 0.00 C ATOM 1431 NZ LYS A 96 5.949 16.186 8.337 1.00 0.00 N ATOM 0 H LYS A 96 4.711 9.788 7.447 1.00 0.00 H new ATOM 0 HA LYS A 96 5.275 11.012 9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.751 12.430 8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.633 12.983 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.661 13.310 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.831 12.690 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.405 14.568 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.656 15.023 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.999 15.022 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.859 16.352 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.702 16.822 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.258 16.728 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.362 15.440 8.932 1.00 0.00 H new ATOM 1445 N GLU A 97 3.534 9.180 10.496 1.00 0.00 N ATOM 1446 CA GLU A 97 2.928 8.555 11.666 1.00 0.00 C ATOM 1447 C GLU A 97 1.427 8.827 11.711 1.00 0.00 C ATOM 1448 O GLU A 97 0.876 9.153 12.762 1.00 0.00 O ATOM 1449 CB GLU A 97 3.589 9.069 12.947 1.00 0.00 C ATOM 1450 CG GLU A 97 5.070 8.744 13.040 1.00 0.00 C ATOM 1451 CD GLU A 97 5.793 9.606 14.056 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.587 10.837 14.045 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.566 9.048 14.864 1.00 0.00 O ATOM 0 H GLU A 97 3.954 8.524 9.837 1.00 0.00 H new ATOM 0 HA GLU A 97 3.083 7.479 11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.458 10.150 13.005 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.077 8.639 13.808 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.192 7.694 13.307 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.530 8.879 12.061 1.00 0.00 H new ATOM 1460 N GLN A 98 0.772 8.691 10.562 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.664 8.923 10.470 1.00 0.00 C ATOM 1462 C GLN A 98 -1.280 8.090 9.350 1.00 0.00 C ATOM 1463 O GLN A 98 -0.818 8.126 8.209 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.948 10.407 10.232 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.600 11.291 11.419 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.827 12.763 11.137 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.816 13.347 11.581 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.090 13.372 10.395 1.00 0.00 N ATOM 0 H GLN A 98 1.213 8.421 9.683 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.116 8.620 11.414 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.383 10.742 9.362 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.004 10.533 9.993 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.201 10.993 12.278 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.444 11.134 11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.894 12.850 10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.010 14.362 10.172 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.324 7.338 9.684 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.003 6.496 8.706 1.00 0.00 C ATOM 1479 C HIS A 99 -3.774 7.344 7.699 1.00 0.00 C ATOM 1480 O HIS A 99 -4.621 8.155 8.074 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.956 5.528 9.410 1.00 0.00 C ATOM 1482 CG HIS A 99 -5.242 6.162 9.842 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.316 6.339 8.995 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.624 6.661 11.041 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -7.302 6.921 9.654 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -6.908 7.126 10.898 1.00 0.00 N ATOM 0 H HIS A 99 -2.718 7.295 10.624 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.246 5.924 8.168 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.177 4.697 8.740 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.456 5.109 10.283 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.345 6.064 8.013 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.030 6.688 11.942 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.266 7.184 9.245 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.473 7.153 6.418 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.137 7.900 5.357 1.00 0.00 C ATOM 1497 C VAL A 100 -5.559 7.396 5.136 1.00 0.00 C ATOM 1498 O VAL A 100 -6.010 6.470 5.810 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.358 7.805 4.032 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.921 8.263 4.223 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.407 6.385 3.487 1.00 0.00 C ATOM 0 H VAL A 100 -2.773 6.487 6.090 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.170 8.942 5.676 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.830 8.466 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.387 8.189 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.911 9.298 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.433 7.631 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.852 6.335 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.961 5.702 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.444 6.099 3.310 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.258 8.010 4.188 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.629 7.623 3.879 1.00 0.00 C ATOM 1513 C GLN A 101 -7.685 6.192 3.352 1.00 0.00 C ATOM 1514 O GLN A 101 -6.709 5.684 2.803 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.233 8.581 2.850 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.497 8.051 2.193 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.984 8.939 1.065 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -10.037 10.162 1.200 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.344 8.326 -0.057 1.00 0.00 N ATOM 0 H GLN A 101 -5.898 8.777 3.621 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.210 7.676 4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.457 9.530 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.491 8.787 2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.309 7.049 1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.282 7.960 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.284 7.310 -0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.681 8.871 -0.851 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.836 5.548 3.524 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.998 4.182 3.061 1.00 0.00 C ATOM 1530 C GLY A 102 -7.773 3.331 3.330 1.00 0.00 C ATOM 1531 O GLY A 102 -7.266 2.660 2.431 1.00 0.00 O ATOM 0 H GLY A 102 -9.659 5.948 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.862 3.735 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.206 4.186 1.991 1.00 0.00 H new ATOM 1535 N SER A 103 -7.295 3.358 4.570 1.00 0.00 N ATOM 1536 CA SER A 103 -6.118 2.587 4.953 1.00 0.00 C ATOM 1537 C SER A 103 -5.937 2.588 6.468 1.00 0.00 C ATOM 1538 O SER A 103 -6.264 3.555 7.157 1.00 0.00 O ATOM 1539 CB SER A 103 -4.868 3.154 4.278 1.00 0.00 C ATOM 1540 OG SER A 103 -3.690 2.694 4.917 1.00 0.00 O ATOM 0 H SER A 103 -7.705 3.906 5.327 1.00 0.00 H new ATOM 0 HA SER A 103 -6.265 1.559 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.854 2.862 3.228 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.899 4.243 4.305 1.00 0.00 H new ATOM 0 HG SER A 103 -3.057 3.436 5.010 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.403 1.479 7.000 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.011 0.322 6.190 1.00 0.00 C ATOM 1548 C PRO A 104 -6.214 -0.416 5.613 1.00 0.00 C ATOM 1549 O PRO A 104 -7.350 -0.195 6.032 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.263 -0.570 7.185 1.00 0.00 C ATOM 1551 CG PRO A 104 -4.815 -0.197 8.517 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.142 1.269 8.434 1.00 0.00 C ATOM 0 HA PRO A 104 -4.415 0.613 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.426 -1.626 6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.188 -0.398 7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.705 -0.783 8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.091 -0.391 9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.011 1.522 9.042 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.315 1.886 8.787 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.957 -1.294 4.649 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.020 -2.065 4.013 1.00 0.00 C ATOM 1562 C PHE A 105 -6.667 -3.549 3.975 1.00 0.00 C ATOM 1563 O PHE A 105 -5.582 -3.953 4.396 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.272 -1.552 2.594 1.00 0.00 C ATOM 1565 CG PHE A 105 -6.045 -1.560 1.727 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.671 -2.706 1.044 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.267 -0.421 1.595 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.543 -2.717 0.245 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.138 -0.426 0.797 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.775 -1.576 0.122 1.00 0.00 C ATOM 0 H PHE A 105 -5.022 -1.490 4.291 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.928 -1.941 4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.042 -2.165 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.663 -0.536 2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.268 -3.601 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.545 0.480 2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.263 -3.617 -0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.540 0.468 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.892 -1.582 -0.500 1.00 0.00 H new ATOM 1580 N THR A 106 -7.591 -4.358 3.466 1.00 0.00 N ATOM 1581 CA THR A 106 -7.380 -5.797 3.373 1.00 0.00 C ATOM 1582 C THR A 106 -7.069 -6.216 1.941 1.00 0.00 C ATOM 1583 O THR A 106 -7.422 -5.519 0.989 1.00 0.00 O ATOM 1584 CB THR A 106 -8.611 -6.578 3.869 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.254 -5.860 4.928 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.213 -7.963 4.358 1.00 0.00 C ATOM 0 H THR A 106 -8.493 -4.041 3.112 1.00 0.00 H new ATOM 0 HA THR A 106 -6.528 -6.033 4.010 1.00 0.00 H new ATOM 0 HB THR A 106 -9.303 -6.689 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.037 -6.363 5.236 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.099 -8.496 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.751 -8.518 3.542 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.503 -7.869 5.180 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.407 -7.359 1.794 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.050 -7.872 0.477 1.00 0.00 C ATOM 1596 C VAL A 107 -6.270 -9.378 0.396 1.00 0.00 C ATOM 1597 O VAL A 107 -5.640 -10.149 1.121 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.583 -7.559 0.131 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.120 -8.401 -1.048 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.410 -6.076 -0.162 1.00 0.00 C ATOM 0 H VAL A 107 -6.107 -7.948 2.571 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.699 -7.374 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.963 -7.811 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.081 -8.165 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.205 -9.458 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.742 -8.184 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.367 -5.872 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.040 -5.796 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.699 -5.496 0.715 1.00 0.00 H new ATOM 1610 N THR A 108 -7.167 -9.794 -0.493 1.00 0.00 N ATOM 1611 CA THR A 108 -7.471 -11.208 -0.669 1.00 0.00 C ATOM 1612 C THR A 108 -6.604 -11.825 -1.761 1.00 0.00 C ATOM 1613 O THR A 108 -6.863 -11.641 -2.950 1.00 0.00 O ATOM 1614 CB THR A 108 -8.954 -11.424 -1.023 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.789 -10.821 -0.029 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.275 -12.908 -1.130 1.00 0.00 C ATOM 0 H THR A 108 -7.696 -9.170 -1.103 1.00 0.00 H new ATOM 0 HA THR A 108 -7.257 -11.698 0.281 1.00 0.00 H new ATOM 0 HB THR A 108 -9.145 -10.956 -1.989 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.730 -10.962 -0.263 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.328 -13.035 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.659 -13.358 -1.909 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.068 -13.395 -0.177 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.574 -12.558 -1.349 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.670 -13.203 -2.293 1.00 0.00 C ATOM 1626 C VAL A 109 -5.175 -14.589 -2.678 1.00 0.00 C ATOM 1627 O VAL A 109 -5.540 -15.390 -1.817 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.249 -13.331 -1.711 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.275 -13.805 -2.779 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.797 -12.006 -1.116 1.00 0.00 C ATOM 0 H VAL A 109 -5.345 -12.720 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.636 -12.572 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.267 -14.074 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.277 -13.889 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.592 -14.778 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.257 -13.088 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.791 -12.114 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.794 -11.241 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.481 -11.713 -0.320 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.195 -14.865 -3.978 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.656 -16.154 -4.479 1.00 0.00 C ATOM 1642 C ARG A 110 -4.479 -17.087 -4.748 1.00 0.00 C ATOM 1643 O ARG A 110 -3.320 -16.694 -4.611 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.474 -15.966 -5.758 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.589 -14.941 -5.623 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.326 -14.744 -6.938 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.314 -15.793 -7.175 1.00 0.00 N ATOM 1648 CZ ARG A 110 -9.026 -16.958 -7.744 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -7.786 -17.222 -8.133 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -9.980 -17.863 -7.926 1.00 0.00 N ATOM 0 H ARG A 110 -4.897 -14.213 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.288 -16.606 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.807 -15.661 -6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.906 -16.924 -6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.292 -15.265 -4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.172 -13.990 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.822 -13.773 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.608 -14.731 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.278 -15.622 -6.888 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.050 -16.529 -7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.568 -18.118 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.935 -17.664 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.758 -18.757 -8.363 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.784 -18.322 -5.129 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.751 -19.311 -5.416 1.00 0.00 C ATOM 1666 C ARG A 111 -3.357 -19.274 -6.889 1.00 0.00 C ATOM 1667 O ARG A 111 -4.210 -19.161 -7.769 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.239 -20.712 -5.043 1.00 0.00 C ATOM 1669 CG ARG A 111 -4.156 -21.009 -3.554 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.188 -22.045 -3.135 1.00 0.00 C ATOM 1671 NE ARG A 111 -4.989 -22.489 -1.758 1.00 0.00 N ATOM 1672 CZ ARG A 111 -5.549 -23.581 -1.250 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -6.337 -24.337 -2.002 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -5.319 -23.920 0.012 1.00 0.00 N ATOM 0 H ARG A 111 -5.738 -18.663 -5.246 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.874 -19.067 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -5.272 -20.827 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.648 -21.450 -5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.157 -21.369 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.311 -20.090 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.188 -21.624 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -5.133 -22.903 -3.804 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.387 -21.930 -1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.514 -24.081 -2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.766 -25.175 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.712 -23.342 0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -5.749 -24.759 0.401 1.00 0.00 H new