USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1005 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 73 THR OG1 : rot 180:sc= -0.108 USER MOD Set 1.2: A 76 GLN : amide:sc= -0.863 K(o=-0.97,f=-2.7!) USER MOD Set 2.1: A 40 SER OG : rot -20:sc= 1.26 USER MOD Set 2.2: A 43 THR OG1 : rot 110:sc= 1.04 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 82:sc= 0.301 USER MOD Single : A 19 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -115:sc= -3.59! (180deg=-5.35!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -19:sc= -0.618 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 91:sc= 1.19 USER MOD Single : A 62 HIS : no HE2:sc= 0.00674 X(o=0.0067,f=-0.13) USER MOD Single : A 63 HIS : no HD1:sc= -1.51 K(o=-1.5,f=0.024) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 78 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-2.7!) USER MOD Single : A 80 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-8.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.1) USER MOD Single : A 101 ASN : amide:sc= -0.746 K(o=-0.75,f=-4!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.0928) USER MOD Single : A 110 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.0091) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.355 K(o=-0.36,f=-1.3) USER MOD Single : A 121 LYS NZ :NH3+ -126:sc= -1.43 (180deg=-3.17!) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.892 USER MOD Single : A 124 MET CE :methyl -145:sc= -9.01! (180deg=-12.9!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 55:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -16.079 7.515 0.112 1.00 1.31 N ATOM 93 CA CYS A 7 -15.358 7.889 -1.140 1.00 1.95 C ATOM 94 C CYS A 7 -15.052 9.390 -1.143 1.00 1.89 C ATOM 95 O CYS A 7 -15.056 10.030 -2.176 1.00 2.68 O ATOM 96 CB CYS A 7 -16.232 7.540 -2.348 1.00 2.83 C ATOM 97 SG CYS A 7 -15.397 6.295 -3.362 1.00 2.62 S ATOM 0 HA CYS A 7 -14.419 7.338 -1.193 1.00 1.95 H new ATOM 0 HB2 CYS A 7 -17.198 7.163 -2.014 1.00 2.83 H new ATOM 0 HB3 CYS A 7 -16.426 8.435 -2.940 1.00 2.83 H new ATOM 0 HG CYS A 7 -16.142 5.998 -4.386 1.00 2.62 H new ATOM 102 N ASP A 8 -14.780 9.959 -0.004 1.00 2.05 N ATOM 103 CA ASP A 8 -14.472 11.415 0.040 1.00 2.95 C ATOM 104 C ASP A 8 -13.002 11.627 -0.341 1.00 2.47 C ATOM 105 O ASP A 8 -12.430 10.845 -1.070 1.00 2.05 O ATOM 106 CB ASP A 8 -14.737 11.942 1.453 1.00 4.18 C ATOM 107 CG ASP A 8 -15.301 13.362 1.370 1.00 5.26 C ATOM 108 OD1 ASP A 8 -16.298 13.544 0.690 1.00 4.87 O ATOM 109 OD2 ASP A 8 -14.726 14.244 1.986 1.00 6.60 O ATOM 0 H ASP A 8 -14.757 9.481 0.897 1.00 2.05 H new ATOM 0 HA ASP A 8 -15.104 11.956 -0.664 1.00 2.95 H new ATOM 0 HB2 ASP A 8 -15.440 11.289 1.970 1.00 4.18 H new ATOM 0 HB3 ASP A 8 -13.814 11.939 2.033 1.00 4.18 H new ATOM 114 N ILE A 9 -12.380 12.673 0.141 1.00 2.81 N ATOM 115 CA ILE A 9 -10.949 12.911 -0.205 1.00 2.63 C ATOM 116 C ILE A 9 -10.071 11.787 0.367 1.00 2.18 C ATOM 117 O ILE A 9 -8.920 11.650 0.004 1.00 2.26 O ATOM 118 CB ILE A 9 -10.501 14.253 0.383 1.00 3.38 C ATOM 119 CG1 ILE A 9 -11.396 15.372 -0.155 1.00 3.49 C ATOM 120 CG2 ILE A 9 -9.051 14.529 -0.019 1.00 3.80 C ATOM 121 CD1 ILE A 9 -11.020 15.674 -1.606 1.00 4.45 C ATOM 0 H ILE A 9 -12.801 13.369 0.757 1.00 2.81 H new ATOM 0 HA ILE A 9 -10.844 12.928 -1.290 1.00 2.63 H new ATOM 0 HB ILE A 9 -10.578 14.214 1.470 1.00 3.38 H new ATOM 0 HG12 ILE A 9 -12.443 15.076 -0.094 1.00 3.49 H new ATOM 0 HG13 ILE A 9 -11.282 16.268 0.455 1.00 3.49 H new ATOM 0 HG21 ILE A 9 -8.733 15.484 0.400 1.00 3.80 H new ATOM 0 HG22 ILE A 9 -8.410 13.734 0.362 1.00 3.80 H new ATOM 0 HG23 ILE A 9 -8.975 14.566 -1.106 1.00 3.80 H new ATOM 0 HD11 ILE A 9 -11.658 16.471 -1.989 1.00 4.45 H new ATOM 0 HD12 ILE A 9 -9.978 15.989 -1.654 1.00 4.45 H new ATOM 0 HD13 ILE A 9 -11.156 14.778 -2.211 1.00 4.45 H new ATOM 133 N THR A 10 -10.592 10.985 1.261 1.00 1.73 N ATOM 134 CA THR A 10 -9.774 9.886 1.843 1.00 1.28 C ATOM 135 C THR A 10 -9.518 8.800 0.796 1.00 1.07 C ATOM 136 O THR A 10 -8.390 8.499 0.462 1.00 0.98 O ATOM 137 CB THR A 10 -10.527 9.264 3.017 1.00 0.91 C ATOM 138 OG1 THR A 10 -10.707 10.237 4.037 1.00 1.23 O ATOM 139 CG2 THR A 10 -9.719 8.085 3.561 1.00 0.48 C ATOM 0 H THR A 10 -11.548 11.046 1.611 1.00 1.73 H new ATOM 0 HA THR A 10 -8.822 10.298 2.177 1.00 1.28 H new ATOM 0 HB THR A 10 -11.504 8.913 2.684 1.00 0.91 H new ATOM 0 HG1 THR A 10 -11.192 9.837 4.789 1.00 1.23 H new ATOM 0 HG21 THR A 10 -10.251 7.636 4.400 1.00 0.48 H new ATOM 0 HG22 THR A 10 -9.586 7.341 2.775 1.00 0.48 H new ATOM 0 HG23 THR A 10 -8.743 8.436 3.896 1.00 0.48 H new ATOM 147 N LEU A 11 -10.559 8.192 0.297 1.00 1.00 N ATOM 148 CA LEU A 11 -10.383 7.103 -0.708 1.00 0.79 C ATOM 149 C LEU A 11 -9.937 7.680 -2.053 1.00 0.73 C ATOM 150 O LEU A 11 -9.221 7.043 -2.798 1.00 0.53 O ATOM 151 CB LEU A 11 -11.711 6.363 -0.884 1.00 0.84 C ATOM 152 CG LEU A 11 -11.510 4.866 -0.624 1.00 0.65 C ATOM 153 CD1 LEU A 11 -10.940 4.654 0.781 1.00 0.97 C ATOM 154 CD2 LEU A 11 -12.854 4.145 -0.732 1.00 0.61 C ATOM 0 H LEU A 11 -11.527 8.402 0.542 1.00 1.00 H new ATOM 0 HA LEU A 11 -9.616 6.414 -0.354 1.00 0.79 H new ATOM 0 HB2 LEU A 11 -12.455 6.764 -0.196 1.00 0.84 H new ATOM 0 HB3 LEU A 11 -12.093 6.518 -1.893 1.00 0.84 H new ATOM 0 HG LEU A 11 -10.815 4.466 -1.362 1.00 0.65 H new ATOM 0 HD11 LEU A 11 -10.799 3.588 0.960 1.00 0.97 H new ATOM 0 HD12 LEU A 11 -9.981 5.166 0.866 1.00 0.97 H new ATOM 0 HD13 LEU A 11 -11.633 5.057 1.519 1.00 0.97 H new ATOM 0 HD21 LEU A 11 -12.712 3.080 -0.547 1.00 0.61 H new ATOM 0 HD22 LEU A 11 -13.546 4.552 0.006 1.00 0.61 H new ATOM 0 HD23 LEU A 11 -13.264 4.288 -1.732 1.00 0.61 H new ATOM 166 N GLN A 12 -10.350 8.871 -2.378 1.00 0.93 N ATOM 167 CA GLN A 12 -9.939 9.466 -3.681 1.00 0.88 C ATOM 168 C GLN A 12 -8.430 9.702 -3.672 1.00 0.73 C ATOM 169 O GLN A 12 -7.718 9.257 -4.551 1.00 0.50 O ATOM 170 CB GLN A 12 -10.668 10.795 -3.890 1.00 1.19 C ATOM 171 CG GLN A 12 -12.049 10.531 -4.497 1.00 0.71 C ATOM 172 CD GLN A 12 -11.990 10.740 -6.011 1.00 0.92 C ATOM 173 OE1 GLN A 12 -12.267 11.818 -6.498 1.00 0.99 O ATOM 174 NE2 GLN A 12 -11.636 9.747 -6.781 1.00 2.32 N ATOM 0 H GLN A 12 -10.952 9.458 -1.801 1.00 0.93 H new ATOM 0 HA GLN A 12 -10.196 8.785 -4.493 1.00 0.88 H new ATOM 0 HB2 GLN A 12 -10.771 11.319 -2.940 1.00 1.19 H new ATOM 0 HB3 GLN A 12 -10.087 11.441 -4.549 1.00 1.19 H new ATOM 0 HG2 GLN A 12 -12.368 9.513 -4.272 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -12.786 11.201 -4.055 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -11.403 8.842 -6.372 1.00 2.32 H new ATOM 0 HE22 GLN A 12 -11.592 9.876 -7.792 1.00 2.32 H new ATOM 183 N GLU A 13 -7.937 10.388 -2.683 1.00 0.93 N ATOM 184 CA GLU A 13 -6.471 10.643 -2.609 1.00 0.95 C ATOM 185 C GLU A 13 -5.739 9.308 -2.456 1.00 0.79 C ATOM 186 O GLU A 13 -4.628 9.140 -2.916 1.00 0.81 O ATOM 187 CB GLU A 13 -6.168 11.539 -1.405 1.00 1.24 C ATOM 188 CG GLU A 13 -4.734 12.062 -1.504 1.00 2.29 C ATOM 189 CD GLU A 13 -4.356 12.760 -0.196 1.00 2.69 C ATOM 190 OE1 GLU A 13 -4.799 12.304 0.845 1.00 2.88 O ATOM 191 OE2 GLU A 13 -3.630 13.739 -0.257 1.00 3.29 O ATOM 0 H GLU A 13 -8.485 10.785 -1.920 1.00 0.93 H new ATOM 0 HA GLU A 13 -6.136 11.141 -3.519 1.00 0.95 H new ATOM 0 HB2 GLU A 13 -6.869 12.373 -1.374 1.00 1.24 H new ATOM 0 HB3 GLU A 13 -6.298 10.978 -0.479 1.00 1.24 H new ATOM 0 HG2 GLU A 13 -4.048 11.238 -1.701 1.00 2.29 H new ATOM 0 HG3 GLU A 13 -4.646 12.757 -2.339 1.00 2.29 H new ATOM 198 N ILE A 14 -6.363 8.353 -1.820 1.00 0.68 N ATOM 199 CA ILE A 14 -5.720 7.021 -1.641 1.00 0.56 C ATOM 200 C ILE A 14 -5.573 6.346 -3.006 1.00 0.45 C ATOM 201 O ILE A 14 -4.662 5.576 -3.238 1.00 0.53 O ATOM 202 CB ILE A 14 -6.604 6.160 -0.730 1.00 0.47 C ATOM 203 CG1 ILE A 14 -5.916 5.971 0.622 1.00 0.61 C ATOM 204 CG2 ILE A 14 -6.846 4.787 -1.371 1.00 0.40 C ATOM 205 CD1 ILE A 14 -6.922 5.417 1.631 1.00 0.80 C ATOM 0 H ILE A 14 -7.295 8.440 -1.415 1.00 0.68 H new ATOM 0 HA ILE A 14 -4.735 7.138 -1.189 1.00 0.56 H new ATOM 0 HB ILE A 14 -7.561 6.663 -0.590 1.00 0.47 H new ATOM 0 HG12 ILE A 14 -5.072 5.288 0.521 1.00 0.61 H new ATOM 0 HG13 ILE A 14 -5.516 6.922 0.975 1.00 0.61 H new ATOM 0 HG21 ILE A 14 -7.475 4.185 -0.715 1.00 0.40 H new ATOM 0 HG22 ILE A 14 -7.344 4.917 -2.332 1.00 0.40 H new ATOM 0 HG23 ILE A 14 -5.892 4.283 -1.522 1.00 0.40 H new ATOM 0 HD11 ILE A 14 -6.433 5.282 2.596 1.00 0.80 H new ATOM 0 HD12 ILE A 14 -7.751 6.116 1.739 1.00 0.80 H new ATOM 0 HD13 ILE A 14 -7.300 4.458 1.278 1.00 0.80 H new ATOM 217 N ILE A 15 -6.472 6.625 -3.907 1.00 0.37 N ATOM 218 CA ILE A 15 -6.407 6.000 -5.255 1.00 0.36 C ATOM 219 C ILE A 15 -5.289 6.654 -6.071 1.00 0.45 C ATOM 220 O ILE A 15 -4.479 5.984 -6.682 1.00 0.56 O ATOM 221 CB ILE A 15 -7.756 6.200 -5.950 1.00 0.36 C ATOM 222 CG1 ILE A 15 -8.637 4.976 -5.701 1.00 0.38 C ATOM 223 CG2 ILE A 15 -7.548 6.377 -7.451 1.00 0.54 C ATOM 224 CD1 ILE A 15 -10.101 5.409 -5.607 1.00 0.69 C ATOM 0 H ILE A 15 -7.254 7.264 -3.766 1.00 0.37 H new ATOM 0 HA ILE A 15 -6.195 4.934 -5.167 1.00 0.36 H new ATOM 0 HB ILE A 15 -8.238 7.091 -5.549 1.00 0.36 H new ATOM 0 HG12 ILE A 15 -8.512 4.255 -6.508 1.00 0.38 H new ATOM 0 HG13 ILE A 15 -8.334 4.479 -4.779 1.00 0.38 H new ATOM 0 HG21 ILE A 15 -8.513 6.519 -7.938 1.00 0.54 H new ATOM 0 HG22 ILE A 15 -6.919 7.249 -7.631 1.00 0.54 H new ATOM 0 HG23 ILE A 15 -7.063 5.490 -7.858 1.00 0.54 H new ATOM 0 HD11 ILE A 15 -10.728 4.535 -5.429 1.00 0.69 H new ATOM 0 HD12 ILE A 15 -10.220 6.114 -4.784 1.00 0.69 H new ATOM 0 HD13 ILE A 15 -10.400 5.887 -6.540 1.00 0.69 H new ATOM 236 N LYS A 16 -5.234 7.958 -6.081 1.00 0.45 N ATOM 237 CA LYS A 16 -4.165 8.653 -6.850 1.00 0.54 C ATOM 238 C LYS A 16 -2.798 8.170 -6.364 1.00 0.76 C ATOM 239 O LYS A 16 -1.875 8.001 -7.137 1.00 0.87 O ATOM 240 CB LYS A 16 -4.280 10.163 -6.629 1.00 0.52 C ATOM 241 CG LYS A 16 -4.275 10.881 -7.980 1.00 0.99 C ATOM 242 CD LYS A 16 -4.323 12.393 -7.754 1.00 1.67 C ATOM 243 CE LYS A 16 -5.631 12.763 -7.050 1.00 1.09 C ATOM 244 NZ LYS A 16 -5.333 13.292 -5.689 1.00 2.33 N ATOM 0 H LYS A 16 -5.884 8.572 -5.589 1.00 0.45 H new ATOM 0 HA LYS A 16 -4.274 8.432 -7.912 1.00 0.54 H new ATOM 0 HB2 LYS A 16 -5.197 10.393 -6.087 1.00 0.52 H new ATOM 0 HB3 LYS A 16 -3.451 10.515 -6.015 1.00 0.52 H new ATOM 0 HG2 LYS A 16 -3.380 10.615 -8.542 1.00 0.99 H new ATOM 0 HG3 LYS A 16 -5.131 10.564 -8.575 1.00 0.99 H new ATOM 0 HD2 LYS A 16 -3.471 12.708 -7.151 1.00 1.67 H new ATOM 0 HD3 LYS A 16 -4.250 12.916 -8.707 1.00 1.67 H new ATOM 0 HE2 LYS A 16 -6.170 13.511 -7.632 1.00 1.09 H new ATOM 0 HE3 LYS A 16 -6.277 11.888 -6.978 1.00 1.09 H new ATOM 0 HZ1 LYS A 16 -6.222 13.543 -5.212 1.00 2.33 H new ATOM 0 HZ2 LYS A 16 -4.836 12.565 -5.135 1.00 2.33 H new ATOM 0 HZ3 LYS A 16 -4.732 14.137 -5.769 1.00 2.33 H new ATOM 258 N THR A 17 -2.663 7.942 -5.087 1.00 0.86 N ATOM 259 CA THR A 17 -1.359 7.466 -4.549 1.00 1.10 C ATOM 260 C THR A 17 -1.116 6.030 -5.013 1.00 1.17 C ATOM 261 O THR A 17 -0.003 5.637 -5.291 1.00 1.35 O ATOM 262 CB THR A 17 -1.392 7.510 -3.020 1.00 1.16 C ATOM 263 OG1 THR A 17 -1.592 8.851 -2.591 1.00 1.33 O ATOM 264 CG2 THR A 17 -0.066 6.988 -2.466 1.00 1.69 C ATOM 0 H THR A 17 -3.400 8.065 -4.393 1.00 0.86 H new ATOM 0 HA THR A 17 -0.557 8.108 -4.912 1.00 1.10 H new ATOM 0 HB THR A 17 -2.207 6.886 -2.655 1.00 1.16 H new ATOM 0 HG1 THR A 17 -2.546 9.069 -2.634 1.00 1.33 H new ATOM 0 HG21 THR A 17 -0.089 7.019 -1.377 1.00 1.69 H new ATOM 0 HG22 THR A 17 0.087 5.961 -2.796 1.00 1.69 H new ATOM 0 HG23 THR A 17 0.751 7.611 -2.829 1.00 1.69 H new ATOM 272 N LEU A 18 -2.153 5.245 -5.099 1.00 1.06 N ATOM 273 CA LEU A 18 -1.991 3.832 -5.547 1.00 1.20 C ATOM 274 C LEU A 18 -1.277 3.804 -6.900 1.00 1.28 C ATOM 275 O LEU A 18 -0.344 3.054 -7.105 1.00 1.40 O ATOM 276 CB LEU A 18 -3.374 3.189 -5.688 1.00 1.15 C ATOM 277 CG LEU A 18 -3.311 1.726 -5.257 1.00 1.07 C ATOM 278 CD1 LEU A 18 -2.186 1.017 -6.012 1.00 1.12 C ATOM 279 CD2 LEU A 18 -3.042 1.655 -3.754 1.00 1.00 C ATOM 0 H LEU A 18 -3.110 5.521 -4.878 1.00 1.06 H new ATOM 0 HA LEU A 18 -1.401 3.280 -4.815 1.00 1.20 H new ATOM 0 HB2 LEU A 18 -4.099 3.727 -5.077 1.00 1.15 H new ATOM 0 HB3 LEU A 18 -3.714 3.259 -6.721 1.00 1.15 H new ATOM 0 HG LEU A 18 -4.259 1.238 -5.483 1.00 1.07 H new ATOM 0 HD11 LEU A 18 -2.142 -0.027 -5.703 1.00 1.12 H new ATOM 0 HD12 LEU A 18 -2.377 1.071 -7.084 1.00 1.12 H new ATOM 0 HD13 LEU A 18 -1.236 1.502 -5.788 1.00 1.12 H new ATOM 0 HD21 LEU A 18 -2.996 0.612 -3.441 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -2.093 2.143 -3.531 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -3.845 2.160 -3.216 1.00 1.00 H new ATOM 291 N ASN A 19 -1.712 4.614 -7.826 1.00 1.21 N ATOM 292 CA ASN A 19 -1.059 4.630 -9.168 1.00 1.28 C ATOM 293 C ASN A 19 0.303 5.327 -9.078 1.00 1.35 C ATOM 294 O ASN A 19 1.186 5.082 -9.876 1.00 1.44 O ATOM 295 CB ASN A 19 -1.951 5.384 -10.157 1.00 1.29 C ATOM 296 CG ASN A 19 -1.689 4.871 -11.575 1.00 1.64 C ATOM 297 OD1 ASN A 19 -0.943 5.473 -12.323 1.00 2.06 O ATOM 298 ND2 ASN A 19 -2.275 3.776 -11.978 1.00 2.41 N ATOM 0 H ASN A 19 -2.489 5.264 -7.713 1.00 1.21 H new ATOM 0 HA ASN A 19 -0.915 3.605 -9.509 1.00 1.28 H new ATOM 0 HB2 ASN A 19 -3.000 5.244 -9.896 1.00 1.29 H new ATOM 0 HB3 ASN A 19 -1.749 6.454 -10.103 1.00 1.29 H new ATOM 0 HD21 ASN A 19 -2.107 3.425 -12.921 1.00 2.41 H new ATOM 0 HD22 ASN A 19 -2.901 3.272 -11.350 1.00 2.41 H new ATOM 305 N SER A 20 0.481 6.197 -8.121 1.00 1.31 N ATOM 306 CA SER A 20 1.785 6.907 -7.991 1.00 1.37 C ATOM 307 C SER A 20 2.882 5.916 -7.592 1.00 1.44 C ATOM 308 O SER A 20 4.033 6.072 -7.951 1.00 1.42 O ATOM 309 CB SER A 20 1.663 7.990 -6.921 1.00 1.34 C ATOM 310 OG SER A 20 2.659 8.981 -7.139 1.00 1.52 O ATOM 0 H SER A 20 -0.220 6.447 -7.424 1.00 1.31 H new ATOM 0 HA SER A 20 2.046 7.361 -8.947 1.00 1.37 H new ATOM 0 HB2 SER A 20 0.671 8.441 -6.955 1.00 1.34 H new ATOM 0 HB3 SER A 20 1.780 7.552 -5.930 1.00 1.34 H new ATOM 0 HG SER A 20 2.582 9.678 -6.454 1.00 1.52 H new ATOM 316 N LEU A 21 2.539 4.899 -6.850 1.00 1.52 N ATOM 317 CA LEU A 21 3.565 3.902 -6.430 1.00 1.59 C ATOM 318 C LEU A 21 3.902 2.965 -7.602 1.00 1.65 C ATOM 319 O LEU A 21 4.861 2.221 -7.552 1.00 1.75 O ATOM 320 CB LEU A 21 3.024 3.083 -5.248 1.00 1.51 C ATOM 321 CG LEU A 21 2.765 4.011 -4.059 1.00 1.53 C ATOM 322 CD1 LEU A 21 1.612 3.455 -3.222 1.00 1.69 C ATOM 323 CD2 LEU A 21 4.024 4.101 -3.193 1.00 1.34 C ATOM 0 H LEU A 21 1.593 4.715 -6.516 1.00 1.52 H new ATOM 0 HA LEU A 21 4.472 4.425 -6.127 1.00 1.59 H new ATOM 0 HB2 LEU A 21 2.103 2.576 -5.535 1.00 1.51 H new ATOM 0 HB3 LEU A 21 3.740 2.310 -4.970 1.00 1.51 H new ATOM 0 HG LEU A 21 2.506 5.004 -4.425 1.00 1.53 H new ATOM 0 HD11 LEU A 21 1.426 4.115 -2.375 1.00 1.69 H new ATOM 0 HD12 LEU A 21 0.714 3.392 -3.836 1.00 1.69 H new ATOM 0 HD13 LEU A 21 1.873 2.461 -2.858 1.00 1.69 H new ATOM 0 HD21 LEU A 21 3.837 4.762 -2.347 1.00 1.34 H new ATOM 0 HD22 LEU A 21 4.285 3.108 -2.827 1.00 1.34 H new ATOM 0 HD23 LEU A 21 4.847 4.497 -3.788 1.00 1.34 H new ATOM 335 N THR A 22 3.126 2.983 -8.658 1.00 1.62 N ATOM 336 CA THR A 22 3.417 2.085 -9.812 1.00 1.68 C ATOM 337 C THR A 22 4.337 2.781 -10.831 1.00 1.83 C ATOM 338 O THR A 22 4.783 2.167 -11.780 1.00 1.89 O ATOM 339 CB THR A 22 2.103 1.707 -10.501 1.00 1.61 C ATOM 340 OG1 THR A 22 1.260 1.039 -9.574 1.00 1.56 O ATOM 341 CG2 THR A 22 2.394 0.787 -11.686 1.00 2.27 C ATOM 0 H THR A 22 2.306 3.580 -8.768 1.00 1.62 H new ATOM 0 HA THR A 22 3.920 1.193 -9.439 1.00 1.68 H new ATOM 0 HB THR A 22 1.606 2.609 -10.859 1.00 1.61 H new ATOM 0 HG1 THR A 22 0.418 0.798 -10.013 1.00 1.56 H new ATOM 0 HG21 THR A 22 1.458 0.518 -12.176 1.00 2.27 H new ATOM 0 HG22 THR A 22 3.041 1.302 -12.396 1.00 2.27 H new ATOM 0 HG23 THR A 22 2.891 -0.116 -11.332 1.00 2.27 H new ATOM 349 N GLU A 23 4.619 4.048 -10.666 1.00 1.91 N ATOM 350 CA GLU A 23 5.496 4.742 -11.656 1.00 2.08 C ATOM 351 C GLU A 23 6.966 4.625 -11.243 1.00 1.72 C ATOM 352 O GLU A 23 7.798 4.171 -12.004 1.00 1.59 O ATOM 353 CB GLU A 23 5.108 6.220 -11.734 1.00 2.72 C ATOM 354 CG GLU A 23 4.812 6.593 -13.188 1.00 3.68 C ATOM 355 CD GLU A 23 3.410 6.110 -13.564 1.00 5.16 C ATOM 356 OE1 GLU A 23 2.621 5.881 -12.662 1.00 5.59 O ATOM 357 OE2 GLU A 23 3.149 5.976 -14.748 1.00 6.16 O ATOM 0 H GLU A 23 4.284 4.627 -9.896 1.00 1.91 H new ATOM 0 HA GLU A 23 5.364 4.272 -12.631 1.00 2.08 H new ATOM 0 HB2 GLU A 23 4.233 6.411 -11.113 1.00 2.72 H new ATOM 0 HB3 GLU A 23 5.916 6.840 -11.345 1.00 2.72 H new ATOM 0 HG2 GLU A 23 4.883 7.673 -13.319 1.00 3.68 H new ATOM 0 HG3 GLU A 23 5.553 6.142 -13.848 1.00 3.68 H new ATOM 364 N GLN A 24 7.296 5.041 -10.055 1.00 1.88 N ATOM 365 CA GLN A 24 8.718 4.964 -9.607 1.00 2.03 C ATOM 366 C GLN A 24 8.798 4.267 -8.250 1.00 2.20 C ATOM 367 O GLN A 24 9.441 4.739 -7.334 1.00 3.09 O ATOM 368 CB GLN A 24 9.287 6.380 -9.493 1.00 3.23 C ATOM 369 CG GLN A 24 9.980 6.757 -10.803 1.00 4.22 C ATOM 370 CD GLN A 24 11.387 7.278 -10.503 1.00 4.02 C ATOM 371 OE1 GLN A 24 12.337 6.521 -10.489 1.00 3.58 O ATOM 372 NE2 GLN A 24 11.562 8.549 -10.262 1.00 4.55 N ATOM 0 H GLN A 24 6.646 5.431 -9.373 1.00 1.88 H new ATOM 0 HA GLN A 24 9.297 4.393 -10.333 1.00 2.03 H new ATOM 0 HB2 GLN A 24 8.488 7.088 -9.275 1.00 3.23 H new ATOM 0 HB3 GLN A 24 9.995 6.434 -8.666 1.00 3.23 H new ATOM 0 HG2 GLN A 24 10.034 5.890 -11.461 1.00 4.22 H new ATOM 0 HG3 GLN A 24 9.402 7.519 -11.327 1.00 4.22 H new ATOM 0 HE21 GLN A 24 10.765 9.185 -10.274 1.00 4.55 H new ATOM 0 HE22 GLN A 24 12.496 8.906 -10.062 1.00 4.55 H new ATOM 381 N LYS A 25 8.163 3.140 -8.120 1.00 1.88 N ATOM 382 CA LYS A 25 8.219 2.404 -6.831 1.00 2.88 C ATOM 383 C LYS A 25 8.138 0.905 -7.108 1.00 2.89 C ATOM 384 O LYS A 25 7.469 0.173 -6.414 1.00 4.09 O ATOM 385 CB LYS A 25 7.053 2.823 -5.936 1.00 4.14 C ATOM 386 CG LYS A 25 7.576 3.106 -4.529 1.00 5.75 C ATOM 387 CD LYS A 25 7.656 1.795 -3.743 1.00 6.22 C ATOM 388 CE LYS A 25 9.082 1.243 -3.806 1.00 6.83 C ATOM 389 NZ LYS A 25 9.850 1.720 -2.623 1.00 8.61 N ATOM 0 H LYS A 25 7.607 2.696 -8.851 1.00 1.88 H new ATOM 0 HA LYS A 25 9.155 2.637 -6.323 1.00 2.88 H new ATOM 0 HB2 LYS A 25 6.568 3.711 -6.342 1.00 4.14 H new ATOM 0 HB3 LYS A 25 6.301 2.035 -5.906 1.00 4.14 H new ATOM 0 HG2 LYS A 25 8.560 3.572 -4.582 1.00 5.75 H new ATOM 0 HG3 LYS A 25 6.917 3.809 -4.019 1.00 5.75 H new ATOM 0 HD2 LYS A 25 7.366 1.963 -2.706 1.00 6.22 H new ATOM 0 HD3 LYS A 25 6.956 1.069 -4.156 1.00 6.22 H new ATOM 0 HE2 LYS A 25 9.061 0.153 -3.825 1.00 6.83 H new ATOM 0 HE3 LYS A 25 9.569 1.568 -4.725 1.00 6.83 H new ATOM 0 HZ1 LYS A 25 10.621 2.344 -2.938 1.00 8.61 H new ATOM 0 HZ2 LYS A 25 9.217 2.246 -1.987 1.00 8.61 H new ATOM 0 HZ3 LYS A 25 10.250 0.904 -2.117 1.00 8.61 H new ATOM 403 N THR A 26 8.819 0.448 -8.122 1.00 2.13 N ATOM 404 CA THR A 26 8.791 -1.006 -8.448 1.00 2.74 C ATOM 405 C THR A 26 10.178 -1.616 -8.205 1.00 2.30 C ATOM 406 O THR A 26 10.316 -2.809 -8.024 1.00 2.51 O ATOM 407 CB THR A 26 8.404 -1.193 -9.918 1.00 3.21 C ATOM 408 OG1 THR A 26 9.582 -1.325 -10.701 1.00 1.87 O ATOM 409 CG2 THR A 26 7.603 0.019 -10.397 1.00 4.30 C ATOM 0 H THR A 26 9.395 1.020 -8.740 1.00 2.13 H new ATOM 0 HA THR A 26 8.059 -1.504 -7.812 1.00 2.74 H new ATOM 0 HB THR A 26 7.794 -2.090 -10.022 1.00 3.21 H new ATOM 0 HG1 THR A 26 9.337 -1.447 -11.642 1.00 1.87 H new ATOM 0 HG21 THR A 26 7.329 -0.116 -11.443 1.00 4.30 H new ATOM 0 HG22 THR A 26 6.700 0.119 -9.795 1.00 4.30 H new ATOM 0 HG23 THR A 26 8.209 0.919 -10.294 1.00 4.30 H new ATOM 417 N LEU A 27 11.207 -0.811 -8.201 1.00 1.77 N ATOM 418 CA LEU A 27 12.575 -1.350 -7.971 1.00 1.60 C ATOM 419 C LEU A 27 12.680 -1.884 -6.539 1.00 1.20 C ATOM 420 O LEU A 27 13.247 -2.930 -6.297 1.00 1.39 O ATOM 421 CB LEU A 27 13.593 -0.228 -8.184 1.00 1.47 C ATOM 422 CG LEU A 27 15.005 -0.815 -8.219 1.00 1.51 C ATOM 423 CD1 LEU A 27 15.868 -0.011 -9.193 1.00 1.11 C ATOM 424 CD2 LEU A 27 15.621 -0.747 -6.821 1.00 1.72 C ATOM 0 H LEU A 27 11.157 0.197 -8.347 1.00 1.77 H new ATOM 0 HA LEU A 27 12.777 -2.163 -8.669 1.00 1.60 H new ATOM 0 HB2 LEU A 27 13.383 0.295 -9.117 1.00 1.47 H new ATOM 0 HB3 LEU A 27 13.513 0.506 -7.382 1.00 1.47 H new ATOM 0 HG LEU A 27 14.957 -1.854 -8.546 1.00 1.51 H new ATOM 0 HD11 LEU A 27 16.874 -0.429 -9.218 1.00 1.11 H new ATOM 0 HD12 LEU A 27 15.431 -0.058 -10.190 1.00 1.11 H new ATOM 0 HD13 LEU A 27 15.915 1.028 -8.866 1.00 1.11 H new ATOM 0 HD21 LEU A 27 16.627 -1.165 -6.846 1.00 1.72 H new ATOM 0 HD22 LEU A 27 15.668 0.292 -6.494 1.00 1.72 H new ATOM 0 HD23 LEU A 27 15.008 -1.319 -6.125 1.00 1.72 H new ATOM 436 N CYS A 28 12.129 -1.180 -5.591 1.00 0.84 N ATOM 437 CA CYS A 28 12.190 -1.658 -4.178 1.00 0.69 C ATOM 438 C CYS A 28 11.149 -2.769 -3.962 1.00 0.71 C ATOM 439 O CYS A 28 11.206 -3.498 -2.990 1.00 0.77 O ATOM 440 CB CYS A 28 11.907 -0.490 -3.228 1.00 0.88 C ATOM 441 SG CYS A 28 13.137 -0.481 -1.898 1.00 1.45 S ATOM 0 H CYS A 28 11.640 -0.296 -5.731 1.00 0.84 H new ATOM 0 HA CYS A 28 13.184 -2.055 -3.973 1.00 0.69 H new ATOM 0 HB2 CYS A 28 11.939 0.453 -3.774 1.00 0.88 H new ATOM 0 HB3 CYS A 28 10.905 -0.582 -2.810 1.00 0.88 H new ATOM 446 N THR A 29 10.203 -2.913 -4.859 1.00 0.89 N ATOM 447 CA THR A 29 9.174 -3.984 -4.700 1.00 0.98 C ATOM 448 C THR A 29 9.723 -5.332 -5.193 1.00 1.00 C ATOM 449 O THR A 29 9.023 -6.324 -5.201 1.00 1.10 O ATOM 450 CB THR A 29 7.935 -3.611 -5.522 1.00 1.31 C ATOM 451 OG1 THR A 29 8.266 -3.617 -6.902 1.00 1.51 O ATOM 452 CG2 THR A 29 7.462 -2.215 -5.121 1.00 1.18 C ATOM 0 H THR A 29 10.101 -2.335 -5.693 1.00 0.89 H new ATOM 0 HA THR A 29 8.914 -4.075 -3.645 1.00 0.98 H new ATOM 0 HB THR A 29 7.141 -4.334 -5.334 1.00 1.31 H new ATOM 0 HG1 THR A 29 9.238 -3.550 -7.006 1.00 1.51 H new ATOM 0 HG21 THR A 29 6.581 -1.948 -5.704 1.00 1.18 H new ATOM 0 HG22 THR A 29 7.211 -2.207 -4.060 1.00 1.18 H new ATOM 0 HG23 THR A 29 8.256 -1.493 -5.312 1.00 1.18 H new ATOM 460 N GLU A 30 10.967 -5.386 -5.603 1.00 1.06 N ATOM 461 CA GLU A 30 11.536 -6.673 -6.091 1.00 1.32 C ATOM 462 C GLU A 30 12.071 -7.507 -4.919 1.00 1.20 C ATOM 463 O GLU A 30 12.741 -8.501 -5.119 1.00 1.77 O ATOM 464 CB GLU A 30 12.672 -6.370 -7.074 1.00 1.68 C ATOM 465 CG GLU A 30 13.899 -5.873 -6.306 1.00 0.53 C ATOM 466 CD GLU A 30 14.942 -6.991 -6.221 1.00 0.93 C ATOM 467 OE1 GLU A 30 15.070 -7.731 -7.183 1.00 1.84 O ATOM 468 OE2 GLU A 30 15.597 -7.085 -5.195 1.00 1.65 O ATOM 0 H GLU A 30 11.609 -4.594 -5.619 1.00 1.06 H new ATOM 0 HA GLU A 30 10.753 -7.246 -6.588 1.00 1.32 H new ATOM 0 HB2 GLU A 30 12.924 -7.266 -7.641 1.00 1.68 H new ATOM 0 HB3 GLU A 30 12.352 -5.617 -7.794 1.00 1.68 H new ATOM 0 HG2 GLU A 30 14.325 -5.003 -6.805 1.00 0.53 H new ATOM 0 HG3 GLU A 30 13.609 -5.556 -5.304 1.00 0.53 H new ATOM 475 N LEU A 31 11.774 -7.137 -3.697 1.00 0.54 N ATOM 476 CA LEU A 31 12.263 -7.943 -2.552 1.00 0.73 C ATOM 477 C LEU A 31 11.268 -9.103 -2.349 1.00 0.96 C ATOM 478 O LEU A 31 11.190 -9.980 -3.182 1.00 2.25 O ATOM 479 CB LEU A 31 12.367 -7.055 -1.302 1.00 0.76 C ATOM 480 CG LEU A 31 13.693 -6.278 -1.306 1.00 1.11 C ATOM 481 CD1 LEU A 31 14.819 -7.186 -0.815 1.00 3.43 C ATOM 482 CD2 LEU A 31 14.022 -5.792 -2.721 1.00 2.08 C ATOM 0 H LEU A 31 11.218 -6.318 -3.451 1.00 0.54 H new ATOM 0 HA LEU A 31 13.257 -8.347 -2.742 1.00 0.73 H new ATOM 0 HB2 LEU A 31 11.530 -6.358 -1.273 1.00 0.76 H new ATOM 0 HB3 LEU A 31 12.301 -7.670 -0.405 1.00 0.76 H new ATOM 0 HG LEU A 31 13.595 -5.416 -0.646 1.00 1.11 H new ATOM 0 HD11 LEU A 31 15.759 -6.634 -0.818 1.00 3.43 H new ATOM 0 HD12 LEU A 31 14.599 -7.523 0.198 1.00 3.43 H new ATOM 0 HD13 LEU A 31 14.903 -8.050 -1.474 1.00 3.43 H new ATOM 0 HD21 LEU A 31 14.964 -5.243 -2.708 1.00 2.08 H new ATOM 0 HD22 LEU A 31 14.111 -6.649 -3.389 1.00 2.08 H new ATOM 0 HD23 LEU A 31 13.226 -5.137 -3.075 1.00 2.08 H new ATOM 494 N THR A 32 10.489 -9.117 -1.288 1.00 0.34 N ATOM 495 CA THR A 32 9.503 -10.230 -1.109 1.00 0.37 C ATOM 496 C THR A 32 8.595 -9.931 0.092 1.00 0.40 C ATOM 497 O THR A 32 9.040 -9.420 1.100 1.00 0.40 O ATOM 498 CB THR A 32 10.246 -11.550 -0.889 1.00 0.48 C ATOM 499 OG1 THR A 32 11.568 -11.280 -0.442 1.00 0.46 O ATOM 500 CG2 THR A 32 10.296 -12.331 -2.207 1.00 0.53 C ATOM 0 H THR A 32 10.494 -8.414 -0.549 1.00 0.34 H new ATOM 0 HA THR A 32 8.889 -10.314 -2.006 1.00 0.37 H new ATOM 0 HB THR A 32 9.725 -12.142 -0.137 1.00 0.48 H new ATOM 0 HG1 THR A 32 12.044 -12.125 -0.299 1.00 0.46 H new ATOM 0 HG21 THR A 32 10.825 -13.272 -2.053 1.00 0.53 H new ATOM 0 HG22 THR A 32 9.281 -12.537 -2.547 1.00 0.53 H new ATOM 0 HG23 THR A 32 10.818 -11.741 -2.960 1.00 0.53 H new ATOM 508 N VAL A 33 7.330 -10.259 -0.004 1.00 0.53 N ATOM 509 CA VAL A 33 6.394 -10.004 1.130 1.00 0.60 C ATOM 510 C VAL A 33 5.375 -11.154 1.181 1.00 0.64 C ATOM 511 O VAL A 33 5.702 -12.278 0.855 1.00 0.84 O ATOM 512 CB VAL A 33 5.689 -8.653 0.924 1.00 0.66 C ATOM 513 CG1 VAL A 33 6.729 -7.533 0.864 1.00 0.56 C ATOM 514 CG2 VAL A 33 4.896 -8.681 -0.384 1.00 0.70 C ATOM 0 H VAL A 33 6.906 -10.694 -0.823 1.00 0.53 H new ATOM 0 HA VAL A 33 6.936 -9.960 2.075 1.00 0.60 H new ATOM 0 HB VAL A 33 5.010 -8.473 1.757 1.00 0.66 H new ATOM 0 HG11 VAL A 33 6.226 -6.577 0.718 1.00 0.56 H new ATOM 0 HG12 VAL A 33 7.291 -7.508 1.797 1.00 0.56 H new ATOM 0 HG13 VAL A 33 7.412 -7.714 0.034 1.00 0.56 H new ATOM 0 HG21 VAL A 33 4.397 -7.722 -0.528 1.00 0.70 H new ATOM 0 HG22 VAL A 33 5.574 -8.866 -1.217 1.00 0.70 H new ATOM 0 HG23 VAL A 33 4.150 -9.475 -0.341 1.00 0.70 H new ATOM 524 N THR A 34 4.153 -10.908 1.589 1.00 0.59 N ATOM 525 CA THR A 34 3.160 -12.019 1.650 1.00 0.63 C ATOM 526 C THR A 34 2.014 -11.746 0.674 1.00 0.62 C ATOM 527 O THR A 34 1.643 -10.613 0.435 1.00 0.62 O ATOM 528 CB THR A 34 2.610 -12.115 3.080 1.00 0.80 C ATOM 529 OG1 THR A 34 2.990 -13.361 3.646 1.00 0.90 O ATOM 530 CG2 THR A 34 1.083 -11.997 3.078 1.00 0.83 C ATOM 0 H THR A 34 3.805 -9.994 1.879 1.00 0.59 H new ATOM 0 HA THR A 34 3.641 -12.957 1.375 1.00 0.63 H new ATOM 0 HB THR A 34 3.021 -11.298 3.672 1.00 0.80 H new ATOM 0 HG1 THR A 34 2.642 -13.425 4.560 1.00 0.90 H new ATOM 0 HG21 THR A 34 0.711 -12.067 4.100 1.00 0.83 H new ATOM 0 HG22 THR A 34 0.793 -11.037 2.652 1.00 0.83 H new ATOM 0 HG23 THR A 34 0.657 -12.803 2.481 1.00 0.83 H new ATOM 538 N ASP A 35 1.435 -12.780 0.125 1.00 0.64 N ATOM 539 CA ASP A 35 0.297 -12.589 -0.817 1.00 0.67 C ATOM 540 C ASP A 35 -1.010 -12.727 -0.035 1.00 0.70 C ATOM 541 O ASP A 35 -1.313 -13.772 0.504 1.00 0.75 O ATOM 542 CB ASP A 35 0.356 -13.653 -1.915 1.00 0.69 C ATOM 543 CG ASP A 35 -0.530 -13.223 -3.087 1.00 0.87 C ATOM 544 OD1 ASP A 35 -0.515 -12.049 -3.416 1.00 0.72 O ATOM 545 OD2 ASP A 35 -1.207 -14.076 -3.636 1.00 1.65 O ATOM 0 H ASP A 35 1.702 -13.750 0.289 1.00 0.64 H new ATOM 0 HA ASP A 35 0.353 -11.602 -1.277 1.00 0.67 H new ATOM 0 HB2 ASP A 35 1.384 -13.787 -2.252 1.00 0.69 H new ATOM 0 HB3 ASP A 35 0.021 -14.614 -1.524 1.00 0.69 H new ATOM 550 N ILE A 36 -1.782 -11.677 0.043 1.00 0.69 N ATOM 551 CA ILE A 36 -3.060 -11.747 0.806 1.00 0.73 C ATOM 552 C ILE A 36 -4.246 -11.858 -0.159 1.00 0.80 C ATOM 553 O ILE A 36 -5.361 -11.505 0.171 1.00 0.74 O ATOM 554 CB ILE A 36 -3.199 -10.480 1.656 1.00 0.74 C ATOM 555 CG1 ILE A 36 -3.805 -9.355 0.812 1.00 0.86 C ATOM 556 CG2 ILE A 36 -1.817 -10.049 2.154 1.00 0.57 C ATOM 557 CD1 ILE A 36 -3.389 -8.001 1.389 1.00 0.63 C ATOM 0 H ILE A 36 -1.583 -10.775 -0.389 1.00 0.69 H new ATOM 0 HA ILE A 36 -3.053 -12.627 1.450 1.00 0.73 H new ATOM 0 HB ILE A 36 -3.850 -10.686 2.506 1.00 0.74 H new ATOM 0 HG12 ILE A 36 -3.469 -9.440 -0.221 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -4.892 -9.439 0.802 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -1.913 -9.148 2.759 1.00 0.57 H new ATOM 0 HG22 ILE A 36 -1.383 -10.846 2.757 1.00 0.57 H new ATOM 0 HG23 ILE A 36 -1.170 -9.846 1.301 1.00 0.57 H new ATOM 0 HD11 ILE A 36 -3.821 -7.201 0.788 1.00 0.63 H new ATOM 0 HD12 ILE A 36 -3.747 -7.917 2.415 1.00 0.63 H new ATOM 0 HD13 ILE A 36 -2.302 -7.918 1.376 1.00 0.63 H new ATOM 569 N PHE A 37 -4.021 -12.350 -1.348 1.00 0.96 N ATOM 570 CA PHE A 37 -5.143 -12.479 -2.321 1.00 1.02 C ATOM 571 C PHE A 37 -5.389 -13.955 -2.639 1.00 1.23 C ATOM 572 O PHE A 37 -5.722 -14.311 -3.751 1.00 1.23 O ATOM 573 CB PHE A 37 -4.782 -11.735 -3.606 1.00 1.03 C ATOM 574 CG PHE A 37 -4.672 -10.261 -3.310 1.00 0.91 C ATOM 575 CD1 PHE A 37 -5.767 -9.574 -2.776 1.00 0.99 C ATOM 576 CD2 PHE A 37 -3.475 -9.582 -3.564 1.00 0.80 C ATOM 577 CE1 PHE A 37 -5.666 -8.208 -2.496 1.00 0.88 C ATOM 578 CE2 PHE A 37 -3.374 -8.215 -3.284 1.00 0.74 C ATOM 579 CZ PHE A 37 -4.470 -7.530 -2.749 1.00 0.73 C ATOM 0 H PHE A 37 -3.112 -12.667 -1.686 1.00 0.96 H new ATOM 0 HA PHE A 37 -6.048 -12.051 -1.888 1.00 1.02 H new ATOM 0 HB2 PHE A 37 -3.839 -12.110 -4.005 1.00 1.03 H new ATOM 0 HB3 PHE A 37 -5.542 -11.910 -4.368 1.00 1.03 H new ATOM 0 HD1 PHE A 37 -6.690 -10.099 -2.580 1.00 0.99 H new ATOM 0 HD2 PHE A 37 -2.630 -10.113 -3.976 1.00 0.80 H new ATOM 0 HE1 PHE A 37 -6.512 -7.677 -2.084 1.00 0.88 H new ATOM 0 HE2 PHE A 37 -2.451 -7.689 -3.481 1.00 0.74 H new ATOM 0 HZ PHE A 37 -4.392 -6.475 -2.531 1.00 0.73 H new ATOM 589 N ALA A 38 -5.229 -14.816 -1.673 1.00 1.42 N ATOM 590 CA ALA A 38 -5.458 -16.266 -1.931 1.00 1.65 C ATOM 591 C ALA A 38 -6.899 -16.629 -1.565 1.00 1.71 C ATOM 592 O ALA A 38 -7.561 -17.370 -2.265 1.00 1.84 O ATOM 593 CB ALA A 38 -4.491 -17.094 -1.086 1.00 1.90 C ATOM 0 H ALA A 38 -4.951 -14.581 -0.720 1.00 1.42 H new ATOM 0 HA ALA A 38 -5.288 -16.478 -2.987 1.00 1.65 H new ATOM 0 HB1 ALA A 38 -4.659 -18.154 -1.275 1.00 1.90 H new ATOM 0 HB2 ALA A 38 -3.465 -16.836 -1.350 1.00 1.90 H new ATOM 0 HB3 ALA A 38 -4.658 -16.883 -0.030 1.00 1.90 H new ATOM 599 N ALA A 39 -7.391 -16.113 -0.474 1.00 1.67 N ATOM 600 CA ALA A 39 -8.789 -16.429 -0.065 1.00 1.78 C ATOM 601 C ALA A 39 -9.447 -15.173 0.512 1.00 1.63 C ATOM 602 O ALA A 39 -9.514 -14.992 1.713 1.00 1.91 O ATOM 603 CB ALA A 39 -8.773 -17.532 0.995 1.00 2.03 C ATOM 0 H ALA A 39 -6.886 -15.486 0.153 1.00 1.67 H new ATOM 0 HA ALA A 39 -9.355 -16.769 -0.933 1.00 1.78 H new ATOM 0 HB1 ALA A 39 -9.795 -17.764 1.295 1.00 2.03 H new ATOM 0 HB2 ALA A 39 -8.304 -18.426 0.583 1.00 2.03 H new ATOM 0 HB3 ALA A 39 -8.208 -17.194 1.864 1.00 2.03 H new ATOM 609 N SER A 40 -9.931 -14.302 -0.332 1.00 1.36 N ATOM 610 CA SER A 40 -10.582 -13.059 0.171 1.00 1.42 C ATOM 611 C SER A 40 -12.048 -13.034 -0.267 1.00 1.67 C ATOM 612 O SER A 40 -12.447 -12.233 -1.088 1.00 2.43 O ATOM 613 CB SER A 40 -9.859 -11.837 -0.399 1.00 1.57 C ATOM 614 OG SER A 40 -9.943 -10.766 0.532 1.00 2.53 O ATOM 0 H SER A 40 -9.904 -14.398 -1.347 1.00 1.36 H new ATOM 0 HA SER A 40 -10.529 -13.038 1.260 1.00 1.42 H new ATOM 0 HB2 SER A 40 -8.815 -12.078 -0.600 1.00 1.57 H new ATOM 0 HB3 SER A 40 -10.307 -11.545 -1.349 1.00 1.57 H new ATOM 0 HG SER A 40 -10.689 -10.925 1.148 1.00 2.53 H new ATOM 620 N LYS A 41 -12.851 -13.905 0.277 1.00 1.24 N ATOM 621 CA LYS A 41 -14.293 -13.932 -0.103 1.00 1.62 C ATOM 622 C LYS A 41 -15.141 -13.495 1.093 1.00 1.40 C ATOM 623 O LYS A 41 -16.207 -12.932 0.939 1.00 1.91 O ATOM 624 CB LYS A 41 -14.686 -15.352 -0.513 1.00 1.90 C ATOM 625 CG LYS A 41 -15.127 -15.353 -1.978 1.00 3.10 C ATOM 626 CD LYS A 41 -14.656 -16.642 -2.656 1.00 3.30 C ATOM 627 CE LYS A 41 -15.869 -17.517 -2.977 1.00 3.73 C ATOM 628 NZ LYS A 41 -15.513 -18.951 -2.780 1.00 2.83 N ATOM 0 H LYS A 41 -12.572 -14.600 0.969 1.00 1.24 H new ATOM 0 HA LYS A 41 -14.462 -13.253 -0.939 1.00 1.62 H new ATOM 0 HB2 LYS A 41 -13.843 -16.029 -0.375 1.00 1.90 H new ATOM 0 HB3 LYS A 41 -15.494 -15.715 0.122 1.00 1.90 H new ATOM 0 HG2 LYS A 41 -16.212 -15.273 -2.042 1.00 3.10 H new ATOM 0 HG3 LYS A 41 -14.712 -14.487 -2.494 1.00 3.10 H new ATOM 0 HD2 LYS A 41 -14.110 -16.407 -3.570 1.00 3.30 H new ATOM 0 HD3 LYS A 41 -13.968 -17.179 -2.003 1.00 3.30 H new ATOM 0 HE2 LYS A 41 -16.706 -17.247 -2.333 1.00 3.73 H new ATOM 0 HE3 LYS A 41 -16.190 -17.349 -4.005 1.00 3.73 H new ATOM 0 HZ1 LYS A 41 -16.337 -19.546 -2.998 1.00 2.83 H new ATOM 0 HZ2 LYS A 41 -14.727 -19.203 -3.412 1.00 2.83 H new ATOM 0 HZ3 LYS A 41 -15.226 -19.105 -1.792 1.00 2.83 H new ATOM 642 N ASP A 42 -14.674 -13.748 2.286 1.00 1.04 N ATOM 643 CA ASP A 42 -15.449 -13.346 3.492 1.00 1.45 C ATOM 644 C ASP A 42 -14.864 -12.051 4.059 1.00 1.47 C ATOM 645 O ASP A 42 -14.917 -11.803 5.247 1.00 1.63 O ATOM 646 CB ASP A 42 -15.359 -14.453 4.545 1.00 1.52 C ATOM 647 CG ASP A 42 -16.269 -15.616 4.142 1.00 1.67 C ATOM 648 OD1 ASP A 42 -16.451 -15.815 2.954 1.00 1.66 O ATOM 649 OD2 ASP A 42 -16.765 -16.288 5.031 1.00 2.53 O ATOM 0 H ASP A 42 -13.788 -14.216 2.476 1.00 1.04 H new ATOM 0 HA ASP A 42 -16.493 -13.187 3.222 1.00 1.45 H new ATOM 0 HB2 ASP A 42 -14.329 -14.798 4.638 1.00 1.52 H new ATOM 0 HB3 ASP A 42 -15.655 -14.067 5.520 1.00 1.52 H new ATOM 654 N THR A 43 -14.305 -11.225 3.218 1.00 1.39 N ATOM 655 CA THR A 43 -13.715 -9.947 3.707 1.00 1.42 C ATOM 656 C THR A 43 -14.168 -8.799 2.801 1.00 1.27 C ATOM 657 O THR A 43 -14.889 -8.998 1.844 1.00 1.60 O ATOM 658 CB THR A 43 -12.188 -10.044 3.679 1.00 1.40 C ATOM 659 OG1 THR A 43 -11.749 -10.198 2.337 1.00 1.15 O ATOM 660 CG2 THR A 43 -11.732 -11.246 4.508 1.00 1.43 C ATOM 0 H THR A 43 -14.231 -11.380 2.213 1.00 1.39 H new ATOM 0 HA THR A 43 -14.048 -9.761 4.728 1.00 1.42 H new ATOM 0 HB THR A 43 -11.760 -9.134 4.100 1.00 1.40 H new ATOM 0 HG1 THR A 43 -11.296 -9.380 2.045 1.00 1.15 H new ATOM 0 HG21 THR A 43 -10.644 -11.312 4.486 1.00 1.43 H new ATOM 0 HG22 THR A 43 -12.067 -11.126 5.538 1.00 1.43 H new ATOM 0 HG23 THR A 43 -12.159 -12.158 4.092 1.00 1.43 H new ATOM 668 N THR A 44 -13.749 -7.600 3.097 1.00 0.90 N ATOM 669 CA THR A 44 -14.151 -6.437 2.257 1.00 0.76 C ATOM 670 C THR A 44 -12.955 -5.496 2.096 1.00 0.74 C ATOM 671 O THR A 44 -11.820 -5.888 2.275 1.00 0.99 O ATOM 672 CB THR A 44 -15.305 -5.694 2.934 1.00 0.99 C ATOM 673 OG1 THR A 44 -15.811 -6.483 4.003 1.00 1.15 O ATOM 674 CG2 THR A 44 -16.420 -5.439 1.918 1.00 1.19 C ATOM 0 H THR A 44 -13.144 -7.375 3.887 1.00 0.90 H new ATOM 0 HA THR A 44 -14.475 -6.785 1.276 1.00 0.76 H new ATOM 0 HB THR A 44 -14.944 -4.741 3.321 1.00 0.99 H new ATOM 0 HG1 THR A 44 -16.549 -6.008 4.439 1.00 1.15 H new ATOM 0 HG21 THR A 44 -17.240 -4.910 2.403 1.00 1.19 H new ATOM 0 HG22 THR A 44 -16.033 -4.835 1.097 1.00 1.19 H new ATOM 0 HG23 THR A 44 -16.782 -6.391 1.529 1.00 1.19 H new ATOM 682 N GLU A 45 -13.195 -4.257 1.757 1.00 0.60 N ATOM 683 CA GLU A 45 -12.061 -3.306 1.586 1.00 0.59 C ATOM 684 C GLU A 45 -11.526 -2.894 2.958 1.00 0.60 C ATOM 685 O GLU A 45 -10.340 -2.736 3.146 1.00 0.64 O ATOM 686 CB GLU A 45 -12.536 -2.059 0.832 1.00 0.66 C ATOM 687 CG GLU A 45 -13.530 -1.280 1.697 1.00 0.63 C ATOM 688 CD GLU A 45 -14.208 -0.203 0.851 1.00 0.91 C ATOM 689 OE1 GLU A 45 -14.038 -0.231 -0.357 1.00 1.26 O ATOM 690 OE2 GLU A 45 -14.887 0.634 1.424 1.00 1.84 O ATOM 0 H GLU A 45 -14.122 -3.865 1.592 1.00 0.60 H new ATOM 0 HA GLU A 45 -11.270 -3.794 1.016 1.00 0.59 H new ATOM 0 HB2 GLU A 45 -11.684 -1.427 0.582 1.00 0.66 H new ATOM 0 HB3 GLU A 45 -13.006 -2.348 -0.108 1.00 0.66 H new ATOM 0 HG2 GLU A 45 -14.278 -1.957 2.110 1.00 0.63 H new ATOM 0 HG3 GLU A 45 -13.013 -0.823 2.541 1.00 0.63 H new ATOM 697 N LYS A 46 -12.384 -2.711 3.920 1.00 0.63 N ATOM 698 CA LYS A 46 -11.907 -2.297 5.270 1.00 0.65 C ATOM 699 C LYS A 46 -11.031 -3.399 5.883 1.00 0.69 C ATOM 700 O LYS A 46 -10.048 -3.124 6.546 1.00 0.74 O ATOM 701 CB LYS A 46 -13.120 -2.012 6.166 1.00 0.66 C ATOM 702 CG LYS A 46 -13.212 -3.046 7.293 1.00 1.16 C ATOM 703 CD LYS A 46 -14.471 -2.782 8.121 1.00 1.28 C ATOM 704 CE LYS A 46 -14.905 -4.073 8.816 1.00 1.50 C ATOM 705 NZ LYS A 46 -16.234 -4.499 8.292 1.00 1.35 N ATOM 0 H LYS A 46 -13.393 -2.829 3.832 1.00 0.63 H new ATOM 0 HA LYS A 46 -11.304 -1.393 5.184 1.00 0.65 H new ATOM 0 HB2 LYS A 46 -13.039 -1.011 6.589 1.00 0.66 H new ATOM 0 HB3 LYS A 46 -14.032 -2.033 5.570 1.00 0.66 H new ATOM 0 HG2 LYS A 46 -13.241 -4.053 6.877 1.00 1.16 H new ATOM 0 HG3 LYS A 46 -12.327 -2.989 7.927 1.00 1.16 H new ATOM 0 HD2 LYS A 46 -14.276 -2.006 8.861 1.00 1.28 H new ATOM 0 HD3 LYS A 46 -15.272 -2.416 7.478 1.00 1.28 H new ATOM 0 HE2 LYS A 46 -14.167 -4.856 8.644 1.00 1.50 H new ATOM 0 HE3 LYS A 46 -14.960 -3.917 9.893 1.00 1.50 H new ATOM 0 HZ1 LYS A 46 -16.528 -5.377 8.765 1.00 1.35 H new ATOM 0 HZ2 LYS A 46 -16.935 -3.754 8.477 1.00 1.35 H new ATOM 0 HZ3 LYS A 46 -16.167 -4.664 7.267 1.00 1.35 H new ATOM 719 N GLU A 47 -11.375 -4.641 5.672 1.00 0.69 N ATOM 720 CA GLU A 47 -10.558 -5.747 6.251 1.00 0.76 C ATOM 721 C GLU A 47 -9.223 -5.845 5.506 1.00 0.80 C ATOM 722 O GLU A 47 -8.165 -5.835 6.107 1.00 0.94 O ATOM 723 CB GLU A 47 -11.320 -7.067 6.113 1.00 0.75 C ATOM 724 CG GLU A 47 -11.697 -7.591 7.501 1.00 0.82 C ATOM 725 CD GLU A 47 -10.485 -8.272 8.139 1.00 1.63 C ATOM 726 OE1 GLU A 47 -9.972 -9.205 7.544 1.00 1.76 O ATOM 727 OE2 GLU A 47 -10.091 -7.849 9.213 1.00 2.85 O ATOM 0 H GLU A 47 -12.184 -4.937 5.126 1.00 0.69 H new ATOM 0 HA GLU A 47 -10.368 -5.545 7.305 1.00 0.76 H new ATOM 0 HB2 GLU A 47 -12.218 -6.919 5.513 1.00 0.75 H new ATOM 0 HB3 GLU A 47 -10.705 -7.800 5.591 1.00 0.75 H new ATOM 0 HG2 GLU A 47 -12.038 -6.769 8.131 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -12.524 -8.297 7.422 1.00 0.82 H new ATOM 734 N THR A 48 -9.260 -5.938 4.205 1.00 0.72 N ATOM 735 CA THR A 48 -7.989 -6.033 3.428 1.00 0.80 C ATOM 736 C THR A 48 -7.198 -4.720 3.533 1.00 0.68 C ATOM 737 O THR A 48 -6.040 -4.659 3.173 1.00 0.58 O ATOM 738 CB THR A 48 -8.310 -6.311 1.958 1.00 0.84 C ATOM 739 OG1 THR A 48 -8.833 -7.626 1.829 1.00 1.09 O ATOM 740 CG2 THR A 48 -7.035 -6.181 1.122 1.00 0.85 C ATOM 0 H THR A 48 -10.113 -5.952 3.646 1.00 0.72 H new ATOM 0 HA THR A 48 -7.387 -6.844 3.838 1.00 0.80 H new ATOM 0 HB THR A 48 -9.048 -5.591 1.604 1.00 0.84 H new ATOM 0 HG1 THR A 48 -9.041 -7.805 0.888 1.00 1.09 H new ATOM 0 HG21 THR A 48 -7.265 -6.379 0.075 1.00 0.85 H new ATOM 0 HG22 THR A 48 -6.636 -5.171 1.221 1.00 0.85 H new ATOM 0 HG23 THR A 48 -6.295 -6.900 1.473 1.00 0.85 H new ATOM 748 N PHE A 49 -7.806 -3.669 4.020 1.00 0.71 N ATOM 749 CA PHE A 49 -7.074 -2.379 4.136 1.00 0.62 C ATOM 750 C PHE A 49 -6.191 -2.406 5.385 1.00 0.58 C ATOM 751 O PHE A 49 -5.032 -2.042 5.339 1.00 0.41 O ATOM 752 CB PHE A 49 -8.086 -1.238 4.243 1.00 0.64 C ATOM 753 CG PHE A 49 -8.337 -0.649 2.872 1.00 0.56 C ATOM 754 CD1 PHE A 49 -8.398 -1.487 1.752 1.00 0.92 C ATOM 755 CD2 PHE A 49 -8.535 0.728 2.726 1.00 1.75 C ATOM 756 CE1 PHE A 49 -8.656 -0.949 0.487 1.00 1.04 C ATOM 757 CE2 PHE A 49 -8.789 1.268 1.459 1.00 1.76 C ATOM 758 CZ PHE A 49 -8.851 0.429 0.340 1.00 0.76 C ATOM 0 H PHE A 49 -8.774 -3.651 4.340 1.00 0.71 H new ATOM 0 HA PHE A 49 -6.447 -2.229 3.257 1.00 0.62 H new ATOM 0 HB2 PHE A 49 -9.020 -1.606 4.668 1.00 0.64 H new ATOM 0 HB3 PHE A 49 -7.711 -0.468 4.917 1.00 0.64 H new ATOM 0 HD1 PHE A 49 -8.246 -2.550 1.865 1.00 0.92 H new ATOM 0 HD2 PHE A 49 -8.492 1.375 3.590 1.00 1.75 H new ATOM 0 HE1 PHE A 49 -8.705 -1.597 -0.376 1.00 1.04 H new ATOM 0 HE2 PHE A 49 -8.937 2.332 1.345 1.00 1.76 H new ATOM 0 HZ PHE A 49 -9.049 0.845 -0.637 1.00 0.76 H new ATOM 768 N CYS A 50 -6.718 -2.838 6.500 1.00 0.76 N ATOM 769 CA CYS A 50 -5.885 -2.887 7.737 1.00 0.79 C ATOM 770 C CYS A 50 -4.763 -3.919 7.548 1.00 0.76 C ATOM 771 O CYS A 50 -3.632 -3.698 7.932 1.00 0.70 O ATOM 772 CB CYS A 50 -6.750 -3.297 8.931 1.00 0.95 C ATOM 773 SG CYS A 50 -5.698 -4.021 10.215 1.00 1.42 S ATOM 0 H CYS A 50 -7.681 -3.157 6.608 1.00 0.76 H new ATOM 0 HA CYS A 50 -5.458 -1.902 7.924 1.00 0.79 H new ATOM 0 HB2 CYS A 50 -7.280 -2.430 9.325 1.00 0.95 H new ATOM 0 HB3 CYS A 50 -7.506 -4.016 8.616 1.00 0.95 H new ATOM 778 N ARG A 51 -5.073 -5.046 6.957 1.00 0.83 N ATOM 779 CA ARG A 51 -4.030 -6.099 6.741 1.00 0.81 C ATOM 780 C ARG A 51 -2.931 -5.556 5.826 1.00 0.67 C ATOM 781 O ARG A 51 -1.773 -5.489 6.193 1.00 0.68 O ATOM 782 CB ARG A 51 -4.670 -7.321 6.076 1.00 0.91 C ATOM 783 CG ARG A 51 -5.264 -8.240 7.144 1.00 1.14 C ATOM 784 CD ARG A 51 -6.097 -9.331 6.469 1.00 0.84 C ATOM 785 NE ARG A 51 -5.703 -10.666 7.006 1.00 1.24 N ATOM 786 CZ ARG A 51 -6.466 -11.721 6.825 1.00 1.39 C ATOM 787 NH1 ARG A 51 -7.606 -11.637 6.181 1.00 1.23 N ATOM 788 NH2 ARG A 51 -6.083 -12.876 7.299 1.00 1.88 N ATOM 0 H ARG A 51 -6.004 -5.284 6.614 1.00 0.83 H new ATOM 0 HA ARG A 51 -3.601 -6.381 7.703 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -5.449 -7.003 5.383 1.00 0.91 H new ATOM 0 HB3 ARG A 51 -3.925 -7.861 5.492 1.00 0.91 H new ATOM 0 HG2 ARG A 51 -4.467 -8.690 7.737 1.00 1.14 H new ATOM 0 HG3 ARG A 51 -5.886 -7.664 7.830 1.00 1.14 H new ATOM 0 HD2 ARG A 51 -7.158 -9.155 6.647 1.00 0.84 H new ATOM 0 HD3 ARG A 51 -5.946 -9.303 5.390 1.00 0.84 H new ATOM 0 HE ARG A 51 -4.828 -10.762 7.522 1.00 1.24 H new ATOM 0 HH11 ARG A 51 -7.917 -10.740 5.809 1.00 1.23 H new ATOM 0 HH12 ARG A 51 -8.182 -12.469 6.053 1.00 1.23 H new ATOM 0 HH21 ARG A 51 -5.200 -12.953 7.804 1.00 1.88 H new ATOM 0 HH22 ARG A 51 -6.667 -13.701 7.165 1.00 1.88 H new ATOM 802 N ALA A 52 -3.287 -5.173 4.632 1.00 0.57 N ATOM 803 CA ALA A 52 -2.273 -4.636 3.684 1.00 0.47 C ATOM 804 C ALA A 52 -1.522 -3.478 4.345 1.00 0.32 C ATOM 805 O ALA A 52 -0.395 -3.184 4.003 1.00 0.31 O ATOM 806 CB ALA A 52 -2.978 -4.128 2.427 1.00 0.55 C ATOM 0 H ALA A 52 -4.240 -5.209 4.271 1.00 0.57 H new ATOM 0 HA ALA A 52 -1.568 -5.424 3.418 1.00 0.47 H new ATOM 0 HB1 ALA A 52 -2.239 -3.734 1.730 1.00 0.55 H new ATOM 0 HB2 ALA A 52 -3.519 -4.949 1.956 1.00 0.55 H new ATOM 0 HB3 ALA A 52 -3.679 -3.339 2.697 1.00 0.55 H new ATOM 812 N ALA A 53 -2.139 -2.816 5.286 1.00 0.29 N ATOM 813 CA ALA A 53 -1.459 -1.680 5.962 1.00 0.23 C ATOM 814 C ALA A 53 -0.301 -2.205 6.808 1.00 0.21 C ATOM 815 O ALA A 53 0.769 -1.638 6.818 1.00 0.27 O ATOM 816 CB ALA A 53 -2.459 -0.952 6.852 1.00 0.38 C ATOM 0 H ALA A 53 -3.084 -3.014 5.614 1.00 0.29 H new ATOM 0 HA ALA A 53 -1.070 -0.990 5.214 1.00 0.23 H new ATOM 0 HB1 ALA A 53 -1.964 -0.118 7.349 1.00 0.38 H new ATOM 0 HB2 ALA A 53 -3.281 -0.575 6.243 1.00 0.38 H new ATOM 0 HB3 ALA A 53 -2.849 -1.641 7.601 1.00 0.38 H new ATOM 822 N THR A 54 -0.501 -3.287 7.515 1.00 0.35 N ATOM 823 CA THR A 54 0.605 -3.845 8.347 1.00 0.32 C ATOM 824 C THR A 54 1.775 -4.202 7.429 1.00 0.20 C ATOM 825 O THR A 54 2.924 -3.884 7.699 1.00 0.15 O ATOM 826 CB THR A 54 0.116 -5.103 9.072 1.00 0.41 C ATOM 827 OG1 THR A 54 -0.745 -4.728 10.138 1.00 0.41 O ATOM 828 CG2 THR A 54 1.315 -5.876 9.627 1.00 0.59 C ATOM 0 H THR A 54 -1.378 -3.806 7.552 1.00 0.35 H new ATOM 0 HA THR A 54 0.924 -3.110 9.086 1.00 0.32 H new ATOM 0 HB THR A 54 -0.427 -5.738 8.372 1.00 0.41 H new ATOM 0 HG1 THR A 54 -1.060 -5.532 10.602 1.00 0.41 H new ATOM 0 HG21 THR A 54 0.964 -6.770 10.142 1.00 0.59 H new ATOM 0 HG22 THR A 54 1.973 -6.164 8.807 1.00 0.59 H new ATOM 0 HG23 THR A 54 1.862 -5.245 10.327 1.00 0.59 H new ATOM 836 N VAL A 55 1.490 -4.846 6.330 1.00 0.21 N ATOM 837 CA VAL A 55 2.576 -5.204 5.381 1.00 0.17 C ATOM 838 C VAL A 55 3.219 -3.911 4.871 1.00 0.12 C ATOM 839 O VAL A 55 4.386 -3.874 4.536 1.00 0.19 O ATOM 840 CB VAL A 55 1.995 -5.993 4.206 1.00 0.29 C ATOM 841 CG1 VAL A 55 3.041 -6.096 3.095 1.00 0.35 C ATOM 842 CG2 VAL A 55 1.615 -7.400 4.677 1.00 0.28 C ATOM 0 H VAL A 55 0.553 -5.138 6.051 1.00 0.21 H new ATOM 0 HA VAL A 55 3.323 -5.820 5.881 1.00 0.17 H new ATOM 0 HB VAL A 55 1.110 -5.482 3.827 1.00 0.29 H new ATOM 0 HG11 VAL A 55 2.628 -6.658 2.257 1.00 0.35 H new ATOM 0 HG12 VAL A 55 3.316 -5.096 2.760 1.00 0.35 H new ATOM 0 HG13 VAL A 55 3.925 -6.608 3.474 1.00 0.35 H new ATOM 0 HG21 VAL A 55 1.201 -7.964 3.841 1.00 0.28 H new ATOM 0 HG22 VAL A 55 2.502 -7.909 5.054 1.00 0.28 H new ATOM 0 HG23 VAL A 55 0.872 -7.329 5.471 1.00 0.28 H new ATOM 852 N LEU A 56 2.462 -2.843 4.822 1.00 0.12 N ATOM 853 CA LEU A 56 3.023 -1.548 4.348 1.00 0.08 C ATOM 854 C LEU A 56 3.967 -0.995 5.418 1.00 0.17 C ATOM 855 O LEU A 56 4.935 -0.326 5.118 1.00 0.26 O ATOM 856 CB LEU A 56 1.883 -0.557 4.107 1.00 0.12 C ATOM 857 CG LEU A 56 1.701 -0.342 2.603 1.00 0.10 C ATOM 858 CD1 LEU A 56 0.904 -1.508 2.016 1.00 0.36 C ATOM 859 CD2 LEU A 56 0.945 0.966 2.364 1.00 0.45 C ATOM 0 H LEU A 56 1.478 -2.816 5.091 1.00 0.12 H new ATOM 0 HA LEU A 56 3.570 -1.699 3.417 1.00 0.08 H new ATOM 0 HB2 LEU A 56 0.960 -0.936 4.545 1.00 0.12 H new ATOM 0 HB3 LEU A 56 2.103 0.392 4.597 1.00 0.12 H new ATOM 0 HG LEU A 56 2.677 -0.290 2.121 1.00 0.10 H new ATOM 0 HD11 LEU A 56 0.773 -1.357 0.945 1.00 0.36 H new ATOM 0 HD12 LEU A 56 1.443 -2.440 2.188 1.00 0.36 H new ATOM 0 HD13 LEU A 56 -0.073 -1.560 2.497 1.00 0.36 H new ATOM 0 HD21 LEU A 56 0.815 1.120 1.293 1.00 0.45 H new ATOM 0 HD22 LEU A 56 -0.032 0.915 2.845 1.00 0.45 H new ATOM 0 HD23 LEU A 56 1.513 1.796 2.784 1.00 0.45 H new ATOM 871 N ARG A 57 3.701 -1.284 6.664 1.00 0.24 N ATOM 872 CA ARG A 57 4.588 -0.792 7.750 1.00 0.38 C ATOM 873 C ARG A 57 5.979 -1.372 7.523 1.00 0.44 C ATOM 874 O ARG A 57 6.971 -0.673 7.565 1.00 0.58 O ATOM 875 CB ARG A 57 4.047 -1.252 9.107 1.00 0.51 C ATOM 876 CG ARG A 57 5.143 -1.129 10.168 1.00 1.40 C ATOM 877 CD ARG A 57 4.512 -0.781 11.517 1.00 1.25 C ATOM 878 NE ARG A 57 4.159 -2.039 12.237 1.00 1.94 N ATOM 879 CZ ARG A 57 3.873 -2.027 13.519 1.00 2.00 C ATOM 880 NH1 ARG A 57 3.874 -0.909 14.207 1.00 1.64 N ATOM 881 NH2 ARG A 57 3.579 -3.147 14.121 1.00 3.29 N ATOM 0 H ARG A 57 2.905 -1.841 6.974 1.00 0.24 H new ATOM 0 HA ARG A 57 4.628 0.297 7.743 1.00 0.38 H new ATOM 0 HB2 ARG A 57 3.185 -0.648 9.389 1.00 0.51 H new ATOM 0 HB3 ARG A 57 3.705 -2.285 9.042 1.00 0.51 H new ATOM 0 HG2 ARG A 57 5.696 -2.065 10.244 1.00 1.40 H new ATOM 0 HG3 ARG A 57 5.858 -0.358 9.880 1.00 1.40 H new ATOM 0 HD2 ARG A 57 5.206 -0.190 12.114 1.00 1.25 H new ATOM 0 HD3 ARG A 57 3.621 -0.172 11.368 1.00 1.25 H new ATOM 0 HE ARG A 57 4.139 -2.922 11.726 1.00 1.94 H new ATOM 0 HH11 ARG A 57 4.100 -0.027 13.747 1.00 1.64 H new ATOM 0 HH12 ARG A 57 3.649 -0.922 15.202 1.00 1.64 H new ATOM 0 HH21 ARG A 57 3.573 -4.022 13.596 1.00 3.29 H new ATOM 0 HH22 ARG A 57 3.356 -3.148 15.116 1.00 3.29 H new ATOM 895 N GLN A 58 6.056 -2.648 7.257 1.00 0.38 N ATOM 896 CA GLN A 58 7.386 -3.268 7.001 1.00 0.50 C ATOM 897 C GLN A 58 7.924 -2.775 5.651 1.00 0.60 C ATOM 898 O GLN A 58 9.115 -2.776 5.410 1.00 0.85 O ATOM 899 CB GLN A 58 7.248 -4.790 6.968 1.00 0.39 C ATOM 900 CG GLN A 58 8.070 -5.397 8.106 1.00 0.64 C ATOM 901 CD GLN A 58 7.432 -6.713 8.551 1.00 0.65 C ATOM 902 OE1 GLN A 58 6.401 -7.105 8.041 1.00 1.62 O ATOM 903 NE2 GLN A 58 8.004 -7.418 9.489 1.00 1.01 N ATOM 0 H GLN A 58 5.260 -3.284 7.206 1.00 0.38 H new ATOM 0 HA GLN A 58 8.076 -2.986 7.797 1.00 0.50 H new ATOM 0 HB2 GLN A 58 6.200 -5.074 7.069 1.00 0.39 H new ATOM 0 HB3 GLN A 58 7.592 -5.177 6.009 1.00 0.39 H new ATOM 0 HG2 GLN A 58 9.094 -5.570 7.776 1.00 0.64 H new ATOM 0 HG3 GLN A 58 8.118 -4.702 8.945 1.00 0.64 H new ATOM 0 HE21 GLN A 58 8.869 -7.090 9.918 1.00 1.01 H new ATOM 0 HE22 GLN A 58 7.586 -8.297 9.793 1.00 1.01 H new ATOM 912 N PHE A 59 7.056 -2.355 4.767 1.00 0.48 N ATOM 913 CA PHE A 59 7.511 -1.865 3.434 1.00 0.69 C ATOM 914 C PHE A 59 8.404 -0.633 3.611 1.00 0.81 C ATOM 915 O PHE A 59 9.504 -0.571 3.096 1.00 1.02 O ATOM 916 CB PHE A 59 6.281 -1.489 2.600 1.00 0.58 C ATOM 917 CG PHE A 59 6.686 -1.164 1.178 1.00 0.78 C ATOM 918 CD1 PHE A 59 7.603 -1.977 0.501 1.00 0.59 C ATOM 919 CD2 PHE A 59 6.130 -0.050 0.531 1.00 1.45 C ATOM 920 CE1 PHE A 59 7.964 -1.679 -0.817 1.00 0.79 C ATOM 921 CE2 PHE A 59 6.493 0.247 -0.786 1.00 1.63 C ATOM 922 CZ PHE A 59 7.409 -0.569 -1.460 1.00 1.19 C ATOM 0 H PHE A 59 6.047 -2.331 4.913 1.00 0.48 H new ATOM 0 HA PHE A 59 8.080 -2.646 2.930 1.00 0.69 H new ATOM 0 HB2 PHE A 59 5.567 -2.312 2.602 1.00 0.58 H new ATOM 0 HB3 PHE A 59 5.779 -0.631 3.047 1.00 0.58 H new ATOM 0 HD1 PHE A 59 8.032 -2.835 0.997 1.00 0.59 H new ATOM 0 HD2 PHE A 59 5.421 0.578 1.050 1.00 1.45 H new ATOM 0 HE1 PHE A 59 8.672 -2.307 -1.338 1.00 0.79 H new ATOM 0 HE2 PHE A 59 6.067 1.106 -1.283 1.00 1.63 H new ATOM 0 HZ PHE A 59 7.687 -0.341 -2.478 1.00 1.19 H new ATOM 932 N TYR A 60 7.936 0.352 4.326 1.00 0.76 N ATOM 933 CA TYR A 60 8.749 1.587 4.529 1.00 0.98 C ATOM 934 C TYR A 60 9.619 1.472 5.788 1.00 1.06 C ATOM 935 O TYR A 60 10.422 2.338 6.066 1.00 1.14 O ATOM 936 CB TYR A 60 7.807 2.782 4.678 1.00 1.01 C ATOM 937 CG TYR A 60 7.594 3.076 6.144 1.00 0.96 C ATOM 938 CD1 TYR A 60 6.610 2.383 6.860 1.00 0.90 C ATOM 939 CD2 TYR A 60 8.378 4.040 6.788 1.00 1.04 C ATOM 940 CE1 TYR A 60 6.412 2.653 8.218 1.00 0.87 C ATOM 941 CE2 TYR A 60 8.179 4.312 8.147 1.00 1.06 C ATOM 942 CZ TYR A 60 7.195 3.618 8.862 1.00 0.95 C ATOM 943 OH TYR A 60 6.999 3.885 10.202 1.00 0.98 O ATOM 0 H TYR A 60 7.023 0.356 4.780 1.00 0.76 H new ATOM 0 HA TYR A 60 9.403 1.720 3.668 1.00 0.98 H new ATOM 0 HB2 TYR A 60 8.228 3.655 4.179 1.00 1.01 H new ATOM 0 HB3 TYR A 60 6.853 2.569 4.197 1.00 1.01 H new ATOM 0 HD1 TYR A 60 6.004 1.640 6.363 1.00 0.90 H new ATOM 0 HD2 TYR A 60 9.137 4.575 6.236 1.00 1.04 H new ATOM 0 HE1 TYR A 60 5.654 2.117 8.770 1.00 0.87 H new ATOM 0 HE2 TYR A 60 8.784 5.056 8.643 1.00 1.06 H new ATOM 0 HH TYR A 60 7.626 4.580 10.492 1.00 0.98 H new ATOM 953 N SER A 61 9.471 0.428 6.559 1.00 1.04 N ATOM 954 CA SER A 61 10.296 0.301 7.795 1.00 1.12 C ATOM 955 C SER A 61 11.649 -0.333 7.460 1.00 1.23 C ATOM 956 O SER A 61 12.667 0.024 8.020 1.00 1.24 O ATOM 957 CB SER A 61 9.560 -0.577 8.805 1.00 1.11 C ATOM 958 OG SER A 61 8.487 0.159 9.375 1.00 1.19 O ATOM 0 H SER A 61 8.819 -0.338 6.388 1.00 1.04 H new ATOM 0 HA SER A 61 10.462 1.292 8.218 1.00 1.12 H new ATOM 0 HB2 SER A 61 9.181 -1.474 8.316 1.00 1.11 H new ATOM 0 HB3 SER A 61 10.246 -0.906 9.586 1.00 1.11 H new ATOM 0 HG SER A 61 7.674 0.012 8.848 1.00 1.19 H new ATOM 964 N HIS A 62 11.670 -1.278 6.561 1.00 1.38 N ATOM 965 CA HIS A 62 12.959 -1.940 6.205 1.00 1.52 C ATOM 966 C HIS A 62 13.634 -1.201 5.047 1.00 1.34 C ATOM 967 O HIS A 62 14.827 -0.976 5.055 1.00 1.29 O ATOM 968 CB HIS A 62 12.687 -3.388 5.790 1.00 1.86 C ATOM 969 CG HIS A 62 13.777 -4.275 6.325 1.00 2.68 C ATOM 970 ND1 HIS A 62 15.119 -3.955 6.199 1.00 3.41 N ATOM 971 CD2 HIS A 62 13.738 -5.471 6.997 1.00 3.27 C ATOM 972 CE1 HIS A 62 15.828 -4.940 6.781 1.00 4.08 C ATOM 973 NE2 HIS A 62 15.034 -5.890 7.284 1.00 3.99 N ATOM 0 H HIS A 62 10.852 -1.621 6.057 1.00 1.38 H new ATOM 0 HA HIS A 62 13.619 -1.919 7.072 1.00 1.52 H new ATOM 0 HB2 HIS A 62 11.719 -3.712 6.173 1.00 1.86 H new ATOM 0 HB3 HIS A 62 12.642 -3.464 4.704 1.00 1.86 H new ATOM 0 HD1 HIS A 62 15.500 -3.124 5.747 1.00 3.41 H new ATOM 0 HD2 HIS A 62 12.838 -6.006 7.263 1.00 3.27 H new ATOM 0 HE1 HIS A 62 16.906 -4.960 6.835 1.00 4.08 H new ATOM 981 N HIS A 63 12.887 -0.839 4.042 1.00 1.31 N ATOM 982 CA HIS A 63 13.498 -0.134 2.879 1.00 1.29 C ATOM 983 C HIS A 63 13.949 1.276 3.280 1.00 1.05 C ATOM 984 O HIS A 63 14.795 1.866 2.639 1.00 1.44 O ATOM 985 CB HIS A 63 12.473 -0.041 1.749 1.00 1.60 C ATOM 986 CG HIS A 63 12.068 -1.428 1.329 1.00 1.55 C ATOM 987 ND1 HIS A 63 12.927 -2.511 1.431 1.00 0.97 N ATOM 988 CD2 HIS A 63 10.901 -1.926 0.805 1.00 2.16 C ATOM 989 CE1 HIS A 63 12.271 -3.595 0.979 1.00 1.30 C ATOM 990 NE2 HIS A 63 11.031 -3.294 0.584 1.00 1.99 N ATOM 0 H HIS A 63 11.882 -1.000 3.975 1.00 1.31 H new ATOM 0 HA HIS A 63 14.370 -0.696 2.544 1.00 1.29 H new ATOM 0 HB2 HIS A 63 11.600 0.521 2.080 1.00 1.60 H new ATOM 0 HB3 HIS A 63 12.897 0.499 0.902 1.00 1.60 H new ATOM 0 HD2 HIS A 63 10.016 -1.344 0.596 1.00 2.16 H new ATOM 0 HE1 HIS A 63 12.695 -4.587 0.940 1.00 1.30 H new ATOM 0 HE2 HIS A 63 10.330 -3.930 0.203 1.00 1.99 H new ATOM 998 N GLU A 64 13.394 1.829 4.325 1.00 0.68 N ATOM 999 CA GLU A 64 13.806 3.201 4.738 1.00 0.73 C ATOM 1000 C GLU A 64 15.174 3.150 5.421 1.00 0.90 C ATOM 1001 O GLU A 64 15.946 4.087 5.352 1.00 1.39 O ATOM 1002 CB GLU A 64 12.776 3.776 5.712 1.00 0.53 C ATOM 1003 CG GLU A 64 13.380 4.982 6.433 1.00 0.50 C ATOM 1004 CD GLU A 64 12.263 5.805 7.080 1.00 0.47 C ATOM 1005 OE1 GLU A 64 11.487 5.231 7.826 1.00 0.72 O ATOM 1006 OE2 GLU A 64 12.202 6.993 6.816 1.00 1.43 O ATOM 0 H GLU A 64 12.678 1.394 4.907 1.00 0.68 H new ATOM 0 HA GLU A 64 13.867 3.835 3.853 1.00 0.73 H new ATOM 0 HB2 GLU A 64 11.876 4.073 5.174 1.00 0.53 H new ATOM 0 HB3 GLU A 64 12.479 3.017 6.435 1.00 0.53 H new ATOM 0 HG2 GLU A 64 14.086 4.648 7.193 1.00 0.50 H new ATOM 0 HG3 GLU A 64 13.938 5.598 5.728 1.00 0.50 H new ATOM 1013 N LYS A 65 15.481 2.069 6.083 1.00 0.86 N ATOM 1014 CA LYS A 65 16.800 1.969 6.772 1.00 1.44 C ATOM 1015 C LYS A 65 17.694 0.978 6.023 1.00 1.11 C ATOM 1016 O LYS A 65 18.372 0.166 6.620 1.00 1.52 O ATOM 1017 CB LYS A 65 16.586 1.484 8.207 1.00 2.07 C ATOM 1018 CG LYS A 65 15.909 0.112 8.187 1.00 4.30 C ATOM 1019 CD LYS A 65 15.828 -0.440 9.612 1.00 5.46 C ATOM 1020 CE LYS A 65 15.028 0.526 10.490 1.00 5.94 C ATOM 1021 NZ LYS A 65 15.951 1.219 11.435 1.00 5.73 N ATOM 0 H LYS A 65 14.878 1.252 6.177 1.00 0.86 H new ATOM 0 HA LYS A 65 17.280 2.948 6.787 1.00 1.44 H new ATOM 0 HB2 LYS A 65 17.542 1.422 8.727 1.00 2.07 H new ATOM 0 HB3 LYS A 65 15.970 2.197 8.755 1.00 2.07 H new ATOM 0 HG2 LYS A 65 14.909 0.195 7.761 1.00 4.30 H new ATOM 0 HG3 LYS A 65 16.471 -0.573 7.552 1.00 4.30 H new ATOM 0 HD2 LYS A 65 15.353 -1.421 9.607 1.00 5.46 H new ATOM 0 HD3 LYS A 65 16.830 -0.573 10.019 1.00 5.46 H new ATOM 0 HE2 LYS A 65 14.511 1.257 9.868 1.00 5.94 H new ATOM 0 HE3 LYS A 65 14.263 -0.018 11.045 1.00 5.94 H new ATOM 0 HZ1 LYS A 65 15.408 1.875 12.032 1.00 5.73 H new ATOM 0 HZ2 LYS A 65 16.425 0.515 12.037 1.00 5.73 H new ATOM 0 HZ3 LYS A 65 16.665 1.750 10.896 1.00 5.73 H new ATOM 1035 N ASP A 66 17.700 1.037 4.719 1.00 0.58 N ATOM 1036 CA ASP A 66 18.551 0.096 3.936 1.00 0.40 C ATOM 1037 C ASP A 66 19.143 0.823 2.727 1.00 0.29 C ATOM 1038 O ASP A 66 18.482 1.609 2.077 1.00 0.28 O ATOM 1039 CB ASP A 66 17.697 -1.080 3.455 1.00 0.40 C ATOM 1040 CG ASP A 66 18.549 -2.350 3.424 1.00 1.38 C ATOM 1041 OD1 ASP A 66 19.312 -2.551 4.354 1.00 1.73 O ATOM 1042 OD2 ASP A 66 18.425 -3.100 2.470 1.00 2.06 O ATOM 0 H ASP A 66 17.154 1.695 4.163 1.00 0.58 H new ATOM 0 HA ASP A 66 19.359 -0.273 4.567 1.00 0.40 H new ATOM 0 HB2 ASP A 66 16.843 -1.218 4.118 1.00 0.40 H new ATOM 0 HB3 ASP A 66 17.299 -0.872 2.462 1.00 0.40 H new ATOM 1047 N THR A 67 20.386 0.566 2.422 1.00 0.59 N ATOM 1048 CA THR A 67 21.024 1.239 1.256 1.00 0.83 C ATOM 1049 C THR A 67 20.483 0.651 -0.051 1.00 0.96 C ATOM 1050 O THR A 67 20.523 1.285 -1.086 1.00 1.27 O ATOM 1051 CB THR A 67 22.538 1.030 1.316 1.00 1.11 C ATOM 1052 OG1 THR A 67 22.979 1.166 2.660 1.00 1.45 O ATOM 1053 CG2 THR A 67 23.233 2.072 0.440 1.00 2.33 C ATOM 0 H THR A 67 20.987 -0.082 2.931 1.00 0.59 H new ATOM 0 HA THR A 67 20.796 2.304 1.290 1.00 0.83 H new ATOM 0 HB THR A 67 22.783 0.032 0.952 1.00 1.11 H new ATOM 0 HG1 THR A 67 23.949 1.031 2.701 1.00 1.45 H new ATOM 0 HG21 THR A 67 24.312 1.922 0.483 1.00 2.33 H new ATOM 0 HG22 THR A 67 22.893 1.966 -0.590 1.00 2.33 H new ATOM 0 HG23 THR A 67 22.990 3.071 0.801 1.00 2.33 H new ATOM 1061 N ARG A 68 19.988 -0.560 -0.015 1.00 0.83 N ATOM 1062 CA ARG A 68 19.454 -1.189 -1.258 1.00 0.91 C ATOM 1063 C ARG A 68 18.434 -0.258 -1.920 1.00 0.83 C ATOM 1064 O ARG A 68 18.394 -0.126 -3.127 1.00 0.94 O ATOM 1065 CB ARG A 68 18.775 -2.514 -0.904 1.00 0.86 C ATOM 1066 CG ARG A 68 19.694 -3.676 -1.287 1.00 1.40 C ATOM 1067 CD ARG A 68 18.857 -4.938 -1.501 1.00 1.51 C ATOM 1068 NE ARG A 68 19.313 -6.011 -0.558 1.00 0.82 N ATOM 1069 CZ ARG A 68 20.576 -6.360 -0.461 1.00 1.52 C ATOM 1070 NH1 ARG A 68 21.465 -5.960 -1.338 1.00 2.80 N ATOM 1071 NH2 ARG A 68 20.939 -7.181 0.488 1.00 1.46 N ATOM 0 H ARG A 68 19.931 -1.140 0.822 1.00 0.83 H new ATOM 0 HA ARG A 68 20.277 -1.368 -1.950 1.00 0.91 H new ATOM 0 HB2 ARG A 68 18.553 -2.548 0.163 1.00 0.86 H new ATOM 0 HB3 ARG A 68 17.824 -2.600 -1.430 1.00 0.86 H new ATOM 0 HG2 ARG A 68 20.245 -3.434 -2.196 1.00 1.40 H new ATOM 0 HG3 ARG A 68 20.432 -3.844 -0.502 1.00 1.40 H new ATOM 0 HD2 ARG A 68 17.802 -4.719 -1.336 1.00 1.51 H new ATOM 0 HD3 ARG A 68 18.954 -5.280 -2.531 1.00 1.51 H new ATOM 0 HE ARG A 68 18.623 -6.484 0.025 1.00 0.82 H new ATOM 0 HH11 ARG A 68 21.182 -5.365 -2.116 1.00 2.80 H new ATOM 0 HH12 ARG A 68 22.440 -6.244 -1.242 1.00 2.80 H new ATOM 0 HH21 ARG A 68 20.245 -7.543 1.142 1.00 1.46 H new ATOM 0 HH22 ARG A 68 21.916 -7.460 0.575 1.00 1.46 H new ATOM 1085 N CYS A 69 17.606 0.386 -1.143 1.00 0.77 N ATOM 1086 CA CYS A 69 16.590 1.302 -1.737 1.00 0.83 C ATOM 1087 C CYS A 69 17.164 2.718 -1.847 1.00 0.97 C ATOM 1088 O CYS A 69 16.782 3.484 -2.709 1.00 1.04 O ATOM 1089 CB CYS A 69 15.341 1.321 -0.852 1.00 0.73 C ATOM 1090 SG CYS A 69 13.862 1.406 -1.895 1.00 0.76 S ATOM 0 H CYS A 69 17.589 0.318 -0.125 1.00 0.77 H new ATOM 0 HA CYS A 69 16.326 0.947 -2.733 1.00 0.83 H new ATOM 0 HB2 CYS A 69 15.309 0.426 -0.230 1.00 0.73 H new ATOM 0 HB3 CYS A 69 15.373 2.177 -0.178 1.00 0.73 H new ATOM 1095 N LEU A 70 18.074 3.074 -0.982 1.00 1.02 N ATOM 1096 CA LEU A 70 18.663 4.444 -1.044 1.00 1.17 C ATOM 1097 C LEU A 70 19.575 4.559 -2.269 1.00 1.23 C ATOM 1098 O LEU A 70 19.231 5.184 -3.252 1.00 1.16 O ATOM 1099 CB LEU A 70 19.468 4.712 0.229 1.00 1.38 C ATOM 1100 CG LEU A 70 18.531 4.680 1.439 1.00 1.38 C ATOM 1101 CD1 LEU A 70 19.354 4.597 2.724 1.00 1.59 C ATOM 1102 CD2 LEU A 70 17.683 5.955 1.460 1.00 1.69 C ATOM 0 H LEU A 70 18.435 2.478 -0.237 1.00 1.02 H new ATOM 0 HA LEU A 70 17.862 5.179 -1.125 1.00 1.17 H new ATOM 0 HB2 LEU A 70 20.251 3.962 0.342 1.00 1.38 H new ATOM 0 HB3 LEU A 70 19.962 5.682 0.163 1.00 1.38 H new ATOM 0 HG LEU A 70 17.880 3.809 1.369 1.00 1.38 H new ATOM 0 HD11 LEU A 70 18.685 4.574 3.584 1.00 1.59 H new ATOM 0 HD12 LEU A 70 19.959 3.690 2.711 1.00 1.59 H new ATOM 0 HD13 LEU A 70 20.007 5.467 2.795 1.00 1.59 H new ATOM 0 HD21 LEU A 70 17.015 5.934 2.321 1.00 1.69 H new ATOM 0 HD22 LEU A 70 18.336 6.825 1.529 1.00 1.69 H new ATOM 0 HD23 LEU A 70 17.093 6.015 0.545 1.00 1.69 H new ATOM 1114 N GLY A 71 20.735 3.960 -2.223 1.00 1.38 N ATOM 1115 CA GLY A 71 21.655 4.041 -3.393 1.00 1.50 C ATOM 1116 C GLY A 71 23.072 4.368 -2.920 1.00 1.55 C ATOM 1117 O GLY A 71 23.757 3.537 -2.355 1.00 1.04 O ATOM 0 H GLY A 71 21.083 3.421 -1.430 1.00 1.38 H new ATOM 0 HA2 GLY A 71 21.652 3.095 -3.935 1.00 1.50 H new ATOM 0 HA3 GLY A 71 21.308 4.807 -4.087 1.00 1.50 H new ATOM 1121 N ALA A 72 23.522 5.572 -3.150 1.00 2.27 N ATOM 1122 CA ALA A 72 24.900 5.946 -2.719 1.00 2.43 C ATOM 1123 C ALA A 72 25.098 7.460 -2.850 1.00 2.84 C ATOM 1124 O ALA A 72 25.721 8.086 -2.015 1.00 3.92 O ATOM 1125 CB ALA A 72 25.920 5.226 -3.602 1.00 2.41 C ATOM 0 H ALA A 72 22.997 6.311 -3.617 1.00 2.27 H new ATOM 0 HA ALA A 72 25.040 5.655 -1.678 1.00 2.43 H new ATOM 0 HB1 ALA A 72 26.928 5.498 -3.289 1.00 2.41 H new ATOM 0 HB2 ALA A 72 25.788 4.148 -3.506 1.00 2.41 H new ATOM 0 HB3 ALA A 72 25.772 5.518 -4.642 1.00 2.41 H new ATOM 1131 N THR A 73 24.582 8.054 -3.892 1.00 2.11 N ATOM 1132 CA THR A 73 24.756 9.524 -4.067 1.00 2.46 C ATOM 1133 C THR A 73 23.856 10.268 -3.079 1.00 2.36 C ATOM 1134 O THR A 73 23.061 9.672 -2.378 1.00 2.13 O ATOM 1135 CB THR A 73 24.375 9.918 -5.497 1.00 2.64 C ATOM 1136 OG1 THR A 73 23.074 9.429 -5.792 1.00 2.30 O ATOM 1137 CG2 THR A 73 25.383 9.319 -6.479 1.00 2.72 C ATOM 0 H THR A 73 24.050 7.587 -4.626 1.00 2.11 H new ATOM 0 HA THR A 73 25.797 9.789 -3.881 1.00 2.46 H new ATOM 0 HB THR A 73 24.384 11.004 -5.589 1.00 2.64 H new ATOM 0 HG1 THR A 73 22.829 9.682 -6.706 1.00 2.30 H new ATOM 0 HG21 THR A 73 25.111 9.600 -7.496 1.00 2.72 H new ATOM 0 HG22 THR A 73 26.380 9.697 -6.253 1.00 2.72 H new ATOM 0 HG23 THR A 73 25.377 8.233 -6.389 1.00 2.72 H new ATOM 1145 N ALA A 74 23.978 11.564 -3.013 1.00 2.57 N ATOM 1146 CA ALA A 74 23.134 12.345 -2.065 1.00 2.56 C ATOM 1147 C ALA A 74 21.795 12.678 -2.728 1.00 2.43 C ATOM 1148 O ALA A 74 20.772 12.755 -2.076 1.00 2.22 O ATOM 1149 CB ALA A 74 23.857 13.641 -1.688 1.00 2.98 C ATOM 0 H ALA A 74 24.626 12.117 -3.574 1.00 2.57 H new ATOM 0 HA ALA A 74 22.955 11.755 -1.166 1.00 2.56 H new ATOM 0 HB1 ALA A 74 23.241 14.213 -0.995 1.00 2.98 H new ATOM 0 HB2 ALA A 74 24.809 13.402 -1.215 1.00 2.98 H new ATOM 0 HB3 ALA A 74 24.037 14.232 -2.586 1.00 2.98 H new ATOM 1155 N GLN A 75 21.792 12.877 -4.018 1.00 2.59 N ATOM 1156 CA GLN A 75 20.519 13.208 -4.719 1.00 2.49 C ATOM 1157 C GLN A 75 19.528 12.052 -4.552 1.00 2.19 C ATOM 1158 O GLN A 75 18.336 12.257 -4.421 1.00 1.94 O ATOM 1159 CB GLN A 75 20.807 13.447 -6.208 1.00 2.73 C ATOM 1160 CG GLN A 75 20.032 12.444 -7.070 1.00 1.60 C ATOM 1161 CD GLN A 75 20.353 12.694 -8.545 1.00 1.20 C ATOM 1162 OE1 GLN A 75 21.506 12.725 -8.930 1.00 1.68 O ATOM 1163 NE2 GLN A 75 19.379 12.873 -9.394 1.00 1.42 N ATOM 0 H GLN A 75 22.616 12.825 -4.617 1.00 2.59 H new ATOM 0 HA GLN A 75 20.085 14.111 -4.290 1.00 2.49 H new ATOM 0 HB2 GLN A 75 20.526 14.464 -6.481 1.00 2.73 H new ATOM 0 HB3 GLN A 75 21.876 13.350 -6.398 1.00 2.73 H new ATOM 0 HG2 GLN A 75 20.302 11.425 -6.794 1.00 1.60 H new ATOM 0 HG3 GLN A 75 18.961 12.548 -6.896 1.00 1.60 H new ATOM 0 HE21 GLN A 75 18.411 12.847 -9.073 1.00 1.42 H new ATOM 0 HE22 GLN A 75 19.585 13.039 -10.379 1.00 1.42 H new ATOM 1172 N GLN A 76 20.010 10.840 -4.554 1.00 2.21 N ATOM 1173 CA GLN A 76 19.097 9.674 -4.395 1.00 1.95 C ATOM 1174 C GLN A 76 18.424 9.736 -3.023 1.00 1.69 C ATOM 1175 O GLN A 76 17.305 9.296 -2.848 1.00 1.46 O ATOM 1176 CB GLN A 76 19.903 8.379 -4.509 1.00 2.06 C ATOM 1177 CG GLN A 76 20.127 8.043 -5.985 1.00 2.44 C ATOM 1178 CD GLN A 76 20.741 6.647 -6.102 1.00 2.78 C ATOM 1179 OE1 GLN A 76 21.820 6.401 -5.602 1.00 3.77 O ATOM 1180 NE2 GLN A 76 20.093 5.715 -6.746 1.00 2.21 N ATOM 0 H GLN A 76 20.997 10.607 -4.659 1.00 2.21 H new ATOM 0 HA GLN A 76 18.335 9.699 -5.174 1.00 1.95 H new ATOM 0 HB2 GLN A 76 20.861 8.489 -4.001 1.00 2.06 H new ATOM 0 HB3 GLN A 76 19.373 7.564 -4.016 1.00 2.06 H new ATOM 0 HG2 GLN A 76 19.181 8.083 -6.526 1.00 2.44 H new ATOM 0 HG3 GLN A 76 20.786 8.781 -6.441 1.00 2.44 H new ATOM 0 HE21 GLN A 76 19.187 5.921 -7.166 1.00 2.21 H new ATOM 0 HE22 GLN A 76 20.493 4.780 -6.829 1.00 2.21 H new ATOM 1189 N PHE A 77 19.097 10.283 -2.049 1.00 1.78 N ATOM 1190 CA PHE A 77 18.498 10.376 -0.688 1.00 1.63 C ATOM 1191 C PHE A 77 17.328 11.359 -0.713 1.00 1.53 C ATOM 1192 O PHE A 77 16.319 11.150 -0.072 1.00 1.47 O ATOM 1193 CB PHE A 77 19.554 10.867 0.304 1.00 1.86 C ATOM 1194 CG PHE A 77 19.837 9.782 1.315 1.00 1.49 C ATOM 1195 CD1 PHE A 77 19.005 9.628 2.431 1.00 1.82 C ATOM 1196 CD2 PHE A 77 20.931 8.928 1.135 1.00 1.10 C ATOM 1197 CE1 PHE A 77 19.268 8.622 3.366 1.00 1.88 C ATOM 1198 CE2 PHE A 77 21.194 7.922 2.072 1.00 1.11 C ATOM 1199 CZ PHE A 77 20.362 7.768 3.187 1.00 1.57 C ATOM 0 H PHE A 77 20.037 10.670 -2.137 1.00 1.78 H new ATOM 0 HA PHE A 77 18.142 9.393 -0.381 1.00 1.63 H new ATOM 0 HB2 PHE A 77 20.469 11.134 -0.225 1.00 1.86 H new ATOM 0 HB3 PHE A 77 19.204 11.767 0.809 1.00 1.86 H new ATOM 0 HD1 PHE A 77 18.160 10.286 2.570 1.00 1.82 H new ATOM 0 HD2 PHE A 77 21.572 9.045 0.274 1.00 1.10 H new ATOM 0 HE1 PHE A 77 18.626 8.504 4.227 1.00 1.88 H new ATOM 0 HE2 PHE A 77 22.039 7.264 1.935 1.00 1.11 H new ATOM 0 HZ PHE A 77 20.564 6.990 3.909 1.00 1.57 H new ATOM 1209 N HIS A 78 17.453 12.428 -1.451 1.00 1.52 N ATOM 1210 CA HIS A 78 16.343 13.419 -1.516 1.00 1.42 C ATOM 1211 C HIS A 78 15.111 12.753 -2.125 1.00 1.34 C ATOM 1212 O HIS A 78 14.008 12.896 -1.634 1.00 1.27 O ATOM 1213 CB HIS A 78 16.765 14.607 -2.384 1.00 1.40 C ATOM 1214 CG HIS A 78 15.552 15.202 -3.043 1.00 0.65 C ATOM 1215 ND1 HIS A 78 15.040 14.708 -4.233 1.00 0.79 N ATOM 1216 CD2 HIS A 78 14.735 16.248 -2.689 1.00 1.02 C ATOM 1217 CE1 HIS A 78 13.962 15.450 -4.549 1.00 1.36 C ATOM 1218 NE2 HIS A 78 13.732 16.403 -3.641 1.00 1.13 N ATOM 0 H HIS A 78 18.274 12.657 -2.011 1.00 1.52 H new ATOM 0 HA HIS A 78 16.110 13.773 -0.512 1.00 1.42 H new ATOM 0 HB2 HIS A 78 17.265 15.358 -1.773 1.00 1.40 H new ATOM 0 HB3 HIS A 78 17.481 14.283 -3.140 1.00 1.40 H new ATOM 0 HD2 HIS A 78 14.853 16.858 -1.806 1.00 1.02 H new ATOM 0 HE1 HIS A 78 13.357 15.294 -5.430 1.00 1.36 H new ATOM 0 HE2 HIS A 78 12.983 17.095 -3.645 1.00 1.13 H new ATOM 1226 N ARG A 79 15.290 12.023 -3.189 1.00 1.34 N ATOM 1227 CA ARG A 79 14.129 11.344 -3.827 1.00 1.26 C ATOM 1228 C ARG A 79 13.543 10.323 -2.850 1.00 1.26 C ATOM 1229 O ARG A 79 12.357 10.060 -2.848 1.00 1.26 O ATOM 1230 CB ARG A 79 14.590 10.628 -5.100 1.00 1.29 C ATOM 1231 CG ARG A 79 13.882 11.229 -6.317 1.00 1.14 C ATOM 1232 CD ARG A 79 14.848 12.145 -7.068 1.00 2.46 C ATOM 1233 NE ARG A 79 14.409 12.270 -8.488 1.00 1.88 N ATOM 1234 CZ ARG A 79 14.905 13.201 -9.270 1.00 2.64 C ATOM 1235 NH1 ARG A 79 15.799 14.054 -8.831 1.00 3.93 N ATOM 1236 NH2 ARG A 79 14.500 13.278 -10.509 1.00 2.34 N ATOM 0 H ARG A 79 16.189 11.867 -3.644 1.00 1.34 H new ATOM 0 HA ARG A 79 13.370 12.083 -4.084 1.00 1.26 H new ATOM 0 HB2 ARG A 79 15.670 10.724 -5.212 1.00 1.29 H new ATOM 0 HB3 ARG A 79 14.370 9.563 -5.029 1.00 1.29 H new ATOM 0 HG2 ARG A 79 13.531 10.435 -6.976 1.00 1.14 H new ATOM 0 HG3 ARG A 79 13.004 11.791 -5.999 1.00 1.14 H new ATOM 0 HD2 ARG A 79 14.876 13.127 -6.597 1.00 2.46 H new ATOM 0 HD3 ARG A 79 15.859 11.741 -7.023 1.00 2.46 H new ATOM 0 HE ARG A 79 13.713 11.622 -8.857 1.00 1.88 H new ATOM 0 HH11 ARG A 79 16.122 14.002 -7.865 1.00 3.93 H new ATOM 0 HH12 ARG A 79 16.171 14.769 -9.456 1.00 3.93 H new ATOM 0 HH21 ARG A 79 13.805 12.619 -10.860 1.00 2.34 H new ATOM 0 HH22 ARG A 79 14.878 13.997 -11.125 1.00 2.34 H new ATOM 1250 N HIS A 80 14.367 9.748 -2.015 1.00 1.27 N ATOM 1251 CA HIS A 80 13.862 8.746 -1.035 1.00 1.27 C ATOM 1252 C HIS A 80 13.111 9.458 0.096 1.00 1.27 C ATOM 1253 O HIS A 80 12.272 8.878 0.753 1.00 1.28 O ATOM 1254 CB HIS A 80 15.041 7.970 -0.446 1.00 1.33 C ATOM 1255 CG HIS A 80 14.767 6.493 -0.534 1.00 0.67 C ATOM 1256 ND1 HIS A 80 14.166 5.791 0.498 1.00 1.23 N ATOM 1257 CD2 HIS A 80 15.005 5.573 -1.525 1.00 1.65 C ATOM 1258 CE1 HIS A 80 14.063 4.507 0.110 1.00 0.63 C ATOM 1259 NE2 HIS A 80 14.560 4.319 -1.116 1.00 1.79 N ATOM 0 H HIS A 80 15.370 9.930 -1.970 1.00 1.27 H new ATOM 0 HA HIS A 80 13.185 8.059 -1.543 1.00 1.27 H new ATOM 0 HB2 HIS A 80 15.956 8.213 -0.986 1.00 1.33 H new ATOM 0 HB3 HIS A 80 15.198 8.260 0.593 1.00 1.33 H new ATOM 0 HD2 HIS A 80 15.467 5.789 -2.477 1.00 1.65 H new ATOM 0 HE1 HIS A 80 13.631 3.724 0.716 1.00 0.63 H new ATOM 0 HE2 HIS A 80 14.604 3.445 -1.640 1.00 1.79 H new ATOM 1267 N LYS A 81 13.407 10.708 0.333 1.00 1.31 N ATOM 1268 CA LYS A 81 12.708 11.441 1.424 1.00 1.32 C ATOM 1269 C LYS A 81 11.215 11.532 1.108 1.00 1.14 C ATOM 1270 O LYS A 81 10.382 11.528 1.992 1.00 1.11 O ATOM 1271 CB LYS A 81 13.292 12.850 1.542 1.00 1.42 C ATOM 1272 CG LYS A 81 13.494 13.197 3.018 1.00 1.55 C ATOM 1273 CD LYS A 81 12.215 13.826 3.574 1.00 2.54 C ATOM 1274 CE LYS A 81 12.415 14.161 5.053 1.00 3.17 C ATOM 1275 NZ LYS A 81 11.091 14.406 5.691 1.00 4.55 N ATOM 0 H LYS A 81 14.101 11.251 -0.181 1.00 1.31 H new ATOM 0 HA LYS A 81 12.845 10.908 2.365 1.00 1.32 H new ATOM 0 HB2 LYS A 81 14.242 12.907 1.011 1.00 1.42 H new ATOM 0 HB3 LYS A 81 12.622 13.573 1.076 1.00 1.42 H new ATOM 0 HG2 LYS A 81 13.745 12.299 3.583 1.00 1.55 H new ATOM 0 HG3 LYS A 81 14.330 13.888 3.129 1.00 1.55 H new ATOM 0 HD2 LYS A 81 11.968 14.729 3.015 1.00 2.54 H new ATOM 0 HD3 LYS A 81 11.377 13.139 3.455 1.00 2.54 H new ATOM 0 HE2 LYS A 81 12.927 13.341 5.556 1.00 3.17 H new ATOM 0 HE3 LYS A 81 13.048 15.042 5.155 1.00 3.17 H new ATOM 0 HZ1 LYS A 81 11.227 14.634 6.697 1.00 4.55 H new ATOM 0 HZ2 LYS A 81 10.619 15.202 5.216 1.00 4.55 H new ATOM 0 HZ3 LYS A 81 10.502 13.553 5.606 1.00 4.55 H new ATOM 1289 N GLN A 82 10.870 11.617 -0.147 1.00 1.03 N ATOM 1290 CA GLN A 82 9.428 11.712 -0.519 1.00 0.87 C ATOM 1291 C GLN A 82 8.856 10.308 -0.740 1.00 0.55 C ATOM 1292 O GLN A 82 7.686 10.065 -0.524 1.00 0.28 O ATOM 1293 CB GLN A 82 9.290 12.530 -1.804 1.00 1.14 C ATOM 1294 CG GLN A 82 9.653 13.988 -1.519 1.00 1.57 C ATOM 1295 CD GLN A 82 8.517 14.899 -1.991 1.00 1.99 C ATOM 1296 OE1 GLN A 82 7.779 15.435 -1.187 1.00 3.12 O ATOM 1297 NE2 GLN A 82 8.345 15.098 -3.268 1.00 1.31 N ATOM 0 H GLN A 82 11.522 11.625 -0.931 1.00 1.03 H new ATOM 0 HA GLN A 82 8.878 12.199 0.286 1.00 0.87 H new ATOM 0 HB2 GLN A 82 9.943 12.126 -2.578 1.00 1.14 H new ATOM 0 HB3 GLN A 82 8.270 12.465 -2.182 1.00 1.14 H new ATOM 0 HG2 GLN A 82 9.827 14.129 -0.452 1.00 1.57 H new ATOM 0 HG3 GLN A 82 10.579 14.250 -2.030 1.00 1.57 H new ATOM 0 HE21 GLN A 82 8.964 14.648 -3.942 1.00 1.31 H new ATOM 0 HE22 GLN A 82 7.591 15.704 -3.593 1.00 1.31 H new ATOM 1306 N LEU A 83 9.671 9.384 -1.171 1.00 0.70 N ATOM 1307 CA LEU A 83 9.174 7.997 -1.408 1.00 0.70 C ATOM 1308 C LEU A 83 8.671 7.402 -0.091 1.00 0.49 C ATOM 1309 O LEU A 83 7.517 7.042 0.041 1.00 0.57 O ATOM 1310 CB LEU A 83 10.318 7.137 -1.947 1.00 1.06 C ATOM 1311 CG LEU A 83 9.778 5.777 -2.393 1.00 1.20 C ATOM 1312 CD1 LEU A 83 10.677 5.212 -3.495 1.00 2.03 C ATOM 1313 CD2 LEU A 83 9.769 4.815 -1.203 1.00 0.79 C ATOM 0 H LEU A 83 10.661 9.529 -1.370 1.00 0.70 H new ATOM 0 HA LEU A 83 8.359 8.021 -2.131 1.00 0.70 H new ATOM 0 HB2 LEU A 83 10.800 7.640 -2.786 1.00 1.06 H new ATOM 0 HB3 LEU A 83 11.078 7.002 -1.177 1.00 1.06 H new ATOM 0 HG LEU A 83 8.763 5.895 -2.772 1.00 1.20 H new ATOM 0 HD11 LEU A 83 10.295 4.243 -3.815 1.00 2.03 H new ATOM 0 HD12 LEU A 83 10.687 5.896 -4.343 1.00 2.03 H new ATOM 0 HD13 LEU A 83 11.691 5.094 -3.113 1.00 2.03 H new ATOM 0 HD21 LEU A 83 9.384 3.846 -1.521 1.00 0.79 H new ATOM 0 HD22 LEU A 83 10.784 4.696 -0.824 1.00 0.79 H new ATOM 0 HD23 LEU A 83 9.132 5.217 -0.415 1.00 0.79 H new ATOM 1325 N ILE A 84 9.534 7.291 0.881 1.00 0.34 N ATOM 1326 CA ILE A 84 9.117 6.716 2.189 1.00 0.39 C ATOM 1327 C ILE A 84 7.898 7.474 2.715 1.00 0.44 C ATOM 1328 O ILE A 84 7.001 6.895 3.291 1.00 0.63 O ATOM 1329 CB ILE A 84 10.265 6.844 3.192 1.00 0.33 C ATOM 1330 CG1 ILE A 84 11.492 6.090 2.670 1.00 0.32 C ATOM 1331 CG2 ILE A 84 9.838 6.251 4.533 1.00 0.46 C ATOM 1332 CD1 ILE A 84 11.117 4.636 2.380 1.00 0.40 C ATOM 0 H ILE A 84 10.512 7.575 0.825 1.00 0.34 H new ATOM 0 HA ILE A 84 8.863 5.664 2.057 1.00 0.39 H new ATOM 0 HB ILE A 84 10.515 7.897 3.321 1.00 0.33 H new ATOM 0 HG12 ILE A 84 11.866 6.567 1.764 1.00 0.32 H new ATOM 0 HG13 ILE A 84 12.295 6.129 3.406 1.00 0.32 H new ATOM 0 HG21 ILE A 84 10.656 6.342 5.248 1.00 0.46 H new ATOM 0 HG22 ILE A 84 8.967 6.788 4.908 1.00 0.46 H new ATOM 0 HG23 ILE A 84 9.586 5.199 4.402 1.00 0.46 H new ATOM 0 HD11 ILE A 84 11.992 4.102 2.009 1.00 0.40 H new ATOM 0 HD12 ILE A 84 10.764 4.162 3.296 1.00 0.40 H new ATOM 0 HD13 ILE A 84 10.328 4.607 1.629 1.00 0.40 H new ATOM 1344 N ARG A 85 7.859 8.765 2.526 1.00 0.31 N ATOM 1345 CA ARG A 85 6.696 9.556 3.020 1.00 0.43 C ATOM 1346 C ARG A 85 5.402 8.994 2.431 1.00 0.55 C ATOM 1347 O ARG A 85 4.417 8.821 3.121 1.00 0.67 O ATOM 1348 CB ARG A 85 6.855 11.018 2.594 1.00 0.41 C ATOM 1349 CG ARG A 85 7.675 11.773 3.645 1.00 0.66 C ATOM 1350 CD ARG A 85 6.886 12.987 4.146 1.00 1.32 C ATOM 1351 NE ARG A 85 6.370 12.715 5.520 1.00 2.44 N ATOM 1352 CZ ARG A 85 5.922 13.688 6.282 1.00 3.50 C ATOM 1353 NH1 ARG A 85 5.910 14.931 5.863 1.00 3.83 N ATOM 1354 NH2 ARG A 85 5.482 13.414 7.480 1.00 4.47 N ATOM 0 H ARG A 85 8.582 9.306 2.051 1.00 0.31 H new ATOM 0 HA ARG A 85 6.655 9.494 4.107 1.00 0.43 H new ATOM 0 HB2 ARG A 85 7.349 11.073 1.624 1.00 0.41 H new ATOM 0 HB3 ARG A 85 5.876 11.483 2.480 1.00 0.41 H new ATOM 0 HG2 ARG A 85 7.911 11.112 4.479 1.00 0.66 H new ATOM 0 HG3 ARG A 85 8.624 12.096 3.216 1.00 0.66 H new ATOM 0 HD2 ARG A 85 7.524 13.870 4.154 1.00 1.32 H new ATOM 0 HD3 ARG A 85 6.057 13.199 3.470 1.00 1.32 H new ATOM 0 HE ARG A 85 6.365 11.758 5.874 1.00 2.44 H new ATOM 0 HH11 ARG A 85 6.253 15.158 4.929 1.00 3.83 H new ATOM 0 HH12 ARG A 85 5.558 15.671 6.471 1.00 3.83 H new ATOM 0 HH21 ARG A 85 5.488 12.452 7.818 1.00 4.47 H new ATOM 0 HH22 ARG A 85 5.132 14.162 8.078 1.00 4.47 H new ATOM 1368 N PHE A 86 5.394 8.708 1.160 1.00 0.52 N ATOM 1369 CA PHE A 86 4.163 8.158 0.526 1.00 0.64 C ATOM 1370 C PHE A 86 3.800 6.830 1.193 1.00 0.77 C ATOM 1371 O PHE A 86 2.641 6.520 1.392 1.00 0.92 O ATOM 1372 CB PHE A 86 4.413 7.932 -0.967 1.00 0.57 C ATOM 1373 CG PHE A 86 3.503 8.827 -1.773 1.00 0.54 C ATOM 1374 CD1 PHE A 86 3.400 10.189 -1.458 1.00 0.87 C ATOM 1375 CD2 PHE A 86 2.761 8.298 -2.836 1.00 1.30 C ATOM 1376 CE1 PHE A 86 2.556 11.018 -2.206 1.00 0.99 C ATOM 1377 CE2 PHE A 86 1.916 9.128 -3.583 1.00 1.25 C ATOM 1378 CZ PHE A 86 1.814 10.489 -3.268 1.00 0.62 C ATOM 0 H PHE A 86 6.188 8.831 0.531 1.00 0.52 H new ATOM 0 HA PHE A 86 3.342 8.864 0.650 1.00 0.64 H new ATOM 0 HB2 PHE A 86 5.455 8.144 -1.208 1.00 0.57 H new ATOM 0 HB3 PHE A 86 4.233 6.888 -1.222 1.00 0.57 H new ATOM 0 HD1 PHE A 86 3.972 10.599 -0.638 1.00 0.87 H new ATOM 0 HD2 PHE A 86 2.840 7.249 -3.080 1.00 1.30 H new ATOM 0 HE1 PHE A 86 2.477 12.067 -1.963 1.00 0.99 H new ATOM 0 HE2 PHE A 86 1.343 8.719 -4.402 1.00 1.25 H new ATOM 0 HZ PHE A 86 1.163 11.130 -3.844 1.00 0.62 H new ATOM 1388 N LEU A 87 4.782 6.045 1.542 1.00 0.72 N ATOM 1389 CA LEU A 87 4.491 4.739 2.199 1.00 0.86 C ATOM 1390 C LEU A 87 3.748 4.988 3.515 1.00 0.85 C ATOM 1391 O LEU A 87 2.805 4.298 3.848 1.00 0.99 O ATOM 1392 CB LEU A 87 5.801 4.004 2.492 1.00 0.80 C ATOM 1393 CG LEU A 87 6.693 4.015 1.252 1.00 2.10 C ATOM 1394 CD1 LEU A 87 7.793 2.965 1.404 1.00 2.80 C ATOM 1395 CD2 LEU A 87 5.849 3.695 0.017 1.00 2.72 C ATOM 0 H LEU A 87 5.771 6.251 1.401 1.00 0.72 H new ATOM 0 HA LEU A 87 3.875 4.132 1.536 1.00 0.86 H new ATOM 0 HB2 LEU A 87 6.317 4.481 3.326 1.00 0.80 H new ATOM 0 HB3 LEU A 87 5.593 2.977 2.791 1.00 0.80 H new ATOM 0 HG LEU A 87 7.146 5.000 1.139 1.00 2.10 H new ATOM 0 HD11 LEU A 87 8.429 2.974 0.519 1.00 2.80 H new ATOM 0 HD12 LEU A 87 8.394 3.192 2.285 1.00 2.80 H new ATOM 0 HD13 LEU A 87 7.342 1.979 1.517 1.00 2.80 H new ATOM 0 HD21 LEU A 87 6.484 3.702 -0.869 1.00 2.72 H new ATOM 0 HD22 LEU A 87 5.396 2.710 0.131 1.00 2.72 H new ATOM 0 HD23 LEU A 87 5.065 4.444 -0.092 1.00 2.72 H new ATOM 1407 N LYS A 88 4.169 5.972 4.263 1.00 0.72 N ATOM 1408 CA LYS A 88 3.493 6.273 5.556 1.00 0.76 C ATOM 1409 C LYS A 88 2.075 6.775 5.283 1.00 0.86 C ATOM 1410 O LYS A 88 1.180 6.607 6.087 1.00 0.76 O ATOM 1411 CB LYS A 88 4.279 7.354 6.302 1.00 0.73 C ATOM 1412 CG LYS A 88 5.761 6.974 6.349 1.00 0.84 C ATOM 1413 CD LYS A 88 6.482 7.853 7.373 1.00 0.87 C ATOM 1414 CE LYS A 88 5.926 7.576 8.772 1.00 1.47 C ATOM 1415 NZ LYS A 88 6.875 8.100 9.795 1.00 1.70 N ATOM 0 H LYS A 88 4.954 6.581 4.033 1.00 0.72 H new ATOM 0 HA LYS A 88 3.450 5.369 6.163 1.00 0.76 H new ATOM 0 HB2 LYS A 88 4.156 8.316 5.804 1.00 0.73 H new ATOM 0 HB3 LYS A 88 3.890 7.467 7.314 1.00 0.73 H new ATOM 0 HG2 LYS A 88 5.869 5.923 6.616 1.00 0.84 H new ATOM 0 HG3 LYS A 88 6.211 7.101 5.364 1.00 0.84 H new ATOM 0 HD2 LYS A 88 7.553 7.651 7.350 1.00 0.87 H new ATOM 0 HD3 LYS A 88 6.350 8.905 7.120 1.00 0.87 H new ATOM 0 HE2 LYS A 88 4.951 8.049 8.888 1.00 1.47 H new ATOM 0 HE3 LYS A 88 5.779 6.505 8.911 1.00 1.47 H new ATOM 0 HZ1 LYS A 88 6.498 7.912 10.746 1.00 1.70 H new ATOM 0 HZ2 LYS A 88 7.796 7.629 9.688 1.00 1.70 H new ATOM 0 HZ3 LYS A 88 6.994 9.125 9.666 1.00 1.70 H new ATOM 1429 N ARG A 89 1.862 7.391 4.154 1.00 1.06 N ATOM 1430 CA ARG A 89 0.502 7.899 3.835 1.00 1.19 C ATOM 1431 C ARG A 89 -0.465 6.720 3.734 1.00 1.13 C ATOM 1432 O ARG A 89 -1.408 6.613 4.490 1.00 1.08 O ATOM 1433 CB ARG A 89 0.538 8.642 2.498 1.00 1.51 C ATOM 1434 CG ARG A 89 -0.837 9.251 2.207 1.00 1.76 C ATOM 1435 CD ARG A 89 -0.969 10.590 2.935 1.00 1.08 C ATOM 1436 NE ARG A 89 -0.699 11.703 1.980 1.00 0.38 N ATOM 1437 CZ ARG A 89 -1.036 12.939 2.269 1.00 0.92 C ATOM 1438 NH1 ARG A 89 -1.613 13.239 3.410 1.00 2.02 N ATOM 1439 NH2 ARG A 89 -0.791 13.888 1.406 1.00 1.09 N ATOM 0 H ARG A 89 2.570 7.564 3.441 1.00 1.06 H new ATOM 0 HA ARG A 89 0.171 8.579 4.620 1.00 1.19 H new ATOM 0 HB2 ARG A 89 1.295 9.426 2.527 1.00 1.51 H new ATOM 0 HB3 ARG A 89 0.819 7.957 1.698 1.00 1.51 H new ATOM 0 HG2 ARG A 89 -0.963 9.395 1.134 1.00 1.76 H new ATOM 0 HG3 ARG A 89 -1.624 8.570 2.531 1.00 1.76 H new ATOM 0 HD2 ARG A 89 -1.970 10.691 3.354 1.00 1.08 H new ATOM 0 HD3 ARG A 89 -0.268 10.634 3.769 1.00 1.08 H new ATOM 0 HE ARG A 89 -0.246 11.501 1.089 1.00 0.38 H new ATOM 0 HH11 ARG A 89 -1.807 12.505 4.092 1.00 2.02 H new ATOM 0 HH12 ARG A 89 -1.867 14.206 3.615 1.00 2.02 H new ATOM 0 HH21 ARG A 89 -0.342 13.666 0.517 1.00 1.09 H new ATOM 0 HH22 ARG A 89 -1.049 14.851 1.620 1.00 1.09 H new ATOM 1453 N LEU A 90 -0.237 5.842 2.799 1.00 1.15 N ATOM 1454 CA LEU A 90 -1.137 4.664 2.625 1.00 1.12 C ATOM 1455 C LEU A 90 -1.145 3.795 3.890 1.00 0.95 C ATOM 1456 O LEU A 90 -2.065 3.031 4.117 1.00 0.82 O ATOM 1457 CB LEU A 90 -0.636 3.823 1.450 1.00 1.25 C ATOM 1458 CG LEU A 90 -1.526 4.064 0.230 1.00 0.87 C ATOM 1459 CD1 LEU A 90 -1.601 5.564 -0.058 1.00 0.94 C ATOM 1460 CD2 LEU A 90 -0.935 3.341 -0.981 1.00 1.49 C ATOM 0 H LEU A 90 0.541 5.889 2.141 1.00 1.15 H new ATOM 0 HA LEU A 90 -2.149 5.022 2.436 1.00 1.12 H new ATOM 0 HB2 LEU A 90 0.396 4.084 1.217 1.00 1.25 H new ATOM 0 HB3 LEU A 90 -0.645 2.766 1.716 1.00 1.25 H new ATOM 0 HG LEU A 90 -2.527 3.682 0.429 1.00 0.87 H new ATOM 0 HD11 LEU A 90 -2.235 5.736 -0.928 1.00 0.94 H new ATOM 0 HD12 LEU A 90 -2.021 6.080 0.805 1.00 0.94 H new ATOM 0 HD13 LEU A 90 -0.600 5.947 -0.258 1.00 0.94 H new ATOM 0 HD21 LEU A 90 -1.568 3.512 -1.852 1.00 1.49 H new ATOM 0 HD22 LEU A 90 0.066 3.723 -1.180 1.00 1.49 H new ATOM 0 HD23 LEU A 90 -0.881 2.272 -0.776 1.00 1.49 H new ATOM 1472 N ASP A 91 -0.130 3.891 4.706 1.00 0.98 N ATOM 1473 CA ASP A 91 -0.078 3.055 5.937 1.00 0.83 C ATOM 1474 C ASP A 91 -1.337 3.271 6.775 1.00 0.84 C ATOM 1475 O ASP A 91 -2.120 2.367 6.978 1.00 0.88 O ATOM 1476 CB ASP A 91 1.154 3.439 6.759 1.00 0.63 C ATOM 1477 CG ASP A 91 1.050 2.817 8.153 1.00 0.40 C ATOM 1478 OD1 ASP A 91 0.771 1.633 8.233 1.00 1.15 O ATOM 1479 OD2 ASP A 91 1.252 3.537 9.117 1.00 1.56 O ATOM 0 H ASP A 91 0.666 4.514 4.572 1.00 0.98 H new ATOM 0 HA ASP A 91 -0.019 2.005 5.652 1.00 0.83 H new ATOM 0 HB2 ASP A 91 2.059 3.092 6.261 1.00 0.63 H new ATOM 0 HB3 ASP A 91 1.229 4.524 6.837 1.00 0.63 H new ATOM 1484 N ARG A 92 -1.531 4.457 7.277 1.00 0.84 N ATOM 1485 CA ARG A 92 -2.739 4.716 8.118 1.00 0.85 C ATOM 1486 C ARG A 92 -3.914 5.204 7.260 1.00 0.71 C ATOM 1487 O ARG A 92 -5.014 5.359 7.749 1.00 0.49 O ATOM 1488 CB ARG A 92 -2.412 5.769 9.175 1.00 0.97 C ATOM 1489 CG ARG A 92 -3.412 5.657 10.330 1.00 1.12 C ATOM 1490 CD ARG A 92 -3.041 4.469 11.224 1.00 1.65 C ATOM 1491 NE ARG A 92 -2.943 4.929 12.640 1.00 1.68 N ATOM 1492 CZ ARG A 92 -2.900 4.068 13.630 1.00 2.60 C ATOM 1493 NH1 ARG A 92 -2.929 2.775 13.409 1.00 3.49 N ATOM 1494 NH2 ARG A 92 -2.823 4.505 14.856 1.00 2.77 N ATOM 0 H ARG A 92 -0.911 5.256 7.145 1.00 0.84 H new ATOM 0 HA ARG A 92 -3.027 3.781 8.600 1.00 0.85 H new ATOM 0 HB2 ARG A 92 -1.396 5.627 9.544 1.00 0.97 H new ATOM 0 HB3 ARG A 92 -2.456 6.766 8.737 1.00 0.97 H new ATOM 0 HG2 ARG A 92 -3.412 6.577 10.914 1.00 1.12 H new ATOM 0 HG3 ARG A 92 -4.421 5.528 9.938 1.00 1.12 H new ATOM 0 HD2 ARG A 92 -3.792 3.684 11.136 1.00 1.65 H new ATOM 0 HD3 ARG A 92 -2.092 4.040 10.903 1.00 1.65 H new ATOM 0 HE ARG A 92 -2.909 5.928 12.842 1.00 1.68 H new ATOM 0 HH11 ARG A 92 -2.986 2.422 12.454 1.00 3.49 H new ATOM 0 HH12 ARG A 92 -2.895 2.123 14.192 1.00 3.49 H new ATOM 0 HH21 ARG A 92 -2.797 5.508 15.039 1.00 2.77 H new ATOM 0 HH22 ARG A 92 -2.789 3.844 15.632 1.00 2.77 H new ATOM 1508 N ASN A 93 -3.708 5.447 5.993 1.00 0.88 N ATOM 1509 CA ASN A 93 -4.839 5.915 5.142 1.00 0.79 C ATOM 1510 C ASN A 93 -5.787 4.742 4.900 1.00 0.48 C ATOM 1511 O ASN A 93 -6.946 4.784 5.262 1.00 0.54 O ATOM 1512 CB ASN A 93 -4.306 6.428 3.805 1.00 1.23 C ATOM 1513 CG ASN A 93 -4.170 7.951 3.857 1.00 1.42 C ATOM 1514 OD1 ASN A 93 -4.480 8.631 2.899 1.00 2.11 O ATOM 1515 ND2 ASN A 93 -3.716 8.519 4.941 1.00 1.71 N ATOM 0 H ASN A 93 -2.813 5.343 5.514 1.00 0.88 H new ATOM 0 HA ASN A 93 -5.368 6.725 5.644 1.00 0.79 H new ATOM 0 HB2 ASN A 93 -3.339 5.974 3.589 1.00 1.23 H new ATOM 0 HB3 ASN A 93 -4.981 6.140 2.999 1.00 1.23 H new ATOM 0 HD21 ASN A 93 -3.621 9.534 4.984 1.00 1.71 H new ATOM 0 HD22 ASN A 93 -3.456 7.948 5.745 1.00 1.71 H new ATOM 1522 N LEU A 94 -5.301 3.687 4.304 1.00 0.68 N ATOM 1523 CA LEU A 94 -6.175 2.507 4.060 1.00 0.76 C ATOM 1524 C LEU A 94 -6.534 1.885 5.410 1.00 0.52 C ATOM 1525 O LEU A 94 -7.680 1.597 5.691 1.00 0.88 O ATOM 1526 CB LEU A 94 -5.419 1.484 3.209 1.00 1.21 C ATOM 1527 CG LEU A 94 -4.959 2.137 1.905 1.00 1.02 C ATOM 1528 CD1 LEU A 94 -3.520 1.712 1.608 1.00 1.07 C ATOM 1529 CD2 LEU A 94 -5.869 1.689 0.759 1.00 2.66 C ATOM 0 H LEU A 94 -4.340 3.592 3.977 1.00 0.68 H new ATOM 0 HA LEU A 94 -7.081 2.809 3.535 1.00 0.76 H new ATOM 0 HB2 LEU A 94 -4.559 1.104 3.760 1.00 1.21 H new ATOM 0 HB3 LEU A 94 -6.062 0.631 2.993 1.00 1.21 H new ATOM 0 HG LEU A 94 -5.008 3.221 2.003 1.00 1.02 H new ATOM 0 HD11 LEU A 94 -3.188 2.175 0.679 1.00 1.07 H new ATOM 0 HD12 LEU A 94 -2.871 2.030 2.424 1.00 1.07 H new ATOM 0 HD13 LEU A 94 -3.474 0.627 1.509 1.00 1.07 H new ATOM 0 HD21 LEU A 94 -5.540 2.155 -0.170 1.00 2.66 H new ATOM 0 HD22 LEU A 94 -5.820 0.605 0.658 1.00 2.66 H new ATOM 0 HD23 LEU A 94 -6.896 1.988 0.971 1.00 2.66 H new ATOM 1541 N TRP A 95 -5.548 1.691 6.242 1.00 0.33 N ATOM 1542 CA TRP A 95 -5.776 1.099 7.594 1.00 0.79 C ATOM 1543 C TRP A 95 -6.933 1.821 8.294 1.00 0.47 C ATOM 1544 O TRP A 95 -7.731 1.217 8.984 1.00 0.67 O ATOM 1545 CB TRP A 95 -4.491 1.288 8.406 1.00 1.33 C ATOM 1546 CG TRP A 95 -4.524 0.494 9.676 1.00 0.91 C ATOM 1547 CD1 TRP A 95 -3.832 -0.647 9.905 1.00 2.32 C ATOM 1548 CD2 TRP A 95 -5.249 0.782 10.902 1.00 0.44 C ATOM 1549 NE1 TRP A 95 -4.087 -1.073 11.195 1.00 2.66 N ATOM 1550 CE2 TRP A 95 -4.956 -0.225 11.849 1.00 1.25 C ATOM 1551 CE3 TRP A 95 -6.124 1.810 11.276 1.00 1.90 C ATOM 1552 CZ2 TRP A 95 -5.513 -0.207 13.127 1.00 1.17 C ATOM 1553 CZ3 TRP A 95 -6.689 1.833 12.560 1.00 2.22 C ATOM 1554 CH2 TRP A 95 -6.383 0.825 13.485 1.00 1.13 C ATOM 0 H TRP A 95 -4.575 1.922 6.039 1.00 0.33 H new ATOM 0 HA TRP A 95 -6.029 0.042 7.507 1.00 0.79 H new ATOM 0 HB2 TRP A 95 -3.633 0.984 7.807 1.00 1.33 H new ATOM 0 HB3 TRP A 95 -4.358 2.344 8.639 1.00 1.33 H new ATOM 0 HD1 TRP A 95 -3.186 -1.143 9.196 1.00 2.32 H new ATOM 0 HE1 TRP A 95 -3.682 -1.911 11.612 1.00 2.66 H new ATOM 0 HE3 TRP A 95 -6.366 2.591 10.570 1.00 1.90 H new ATOM 0 HZ2 TRP A 95 -5.273 -0.986 13.835 1.00 1.17 H new ATOM 0 HZ3 TRP A 95 -7.362 2.631 12.837 1.00 2.22 H new ATOM 0 HH2 TRP A 95 -6.819 0.847 14.473 1.00 1.13 H new ATOM 1565 N GLY A 96 -7.020 3.115 8.131 1.00 0.21 N ATOM 1566 CA GLY A 96 -8.112 3.889 8.794 1.00 0.55 C ATOM 1567 C GLY A 96 -9.477 3.386 8.321 1.00 0.85 C ATOM 1568 O GLY A 96 -10.368 3.150 9.113 1.00 1.19 O ATOM 0 H GLY A 96 -6.379 3.672 7.565 1.00 0.21 H new ATOM 0 HA2 GLY A 96 -8.034 3.788 9.876 1.00 0.55 H new ATOM 0 HA3 GLY A 96 -8.007 4.949 8.565 1.00 0.55 H new ATOM 1572 N LEU A 97 -9.651 3.226 7.039 1.00 0.78 N ATOM 1573 CA LEU A 97 -10.962 2.744 6.519 1.00 1.13 C ATOM 1574 C LEU A 97 -11.339 1.432 7.212 1.00 0.95 C ATOM 1575 O LEU A 97 -12.501 1.109 7.363 1.00 1.13 O ATOM 1576 CB LEU A 97 -10.855 2.509 5.010 1.00 1.53 C ATOM 1577 CG LEU A 97 -11.219 3.794 4.264 1.00 1.32 C ATOM 1578 CD1 LEU A 97 -12.703 4.106 4.475 1.00 1.39 C ATOM 1579 CD2 LEU A 97 -10.375 4.951 4.803 1.00 2.12 C ATOM 0 H LEU A 97 -8.942 3.408 6.328 1.00 0.78 H new ATOM 0 HA LEU A 97 -11.728 3.493 6.720 1.00 1.13 H new ATOM 0 HB2 LEU A 97 -9.842 2.200 4.751 1.00 1.53 H new ATOM 0 HB3 LEU A 97 -11.522 1.701 4.709 1.00 1.53 H new ATOM 0 HG LEU A 97 -11.023 3.663 3.200 1.00 1.32 H new ATOM 0 HD11 LEU A 97 -12.961 5.022 3.943 1.00 1.39 H new ATOM 0 HD12 LEU A 97 -13.306 3.282 4.093 1.00 1.39 H new ATOM 0 HD13 LEU A 97 -12.900 4.237 5.539 1.00 1.39 H new ATOM 0 HD21 LEU A 97 -10.633 5.868 4.273 1.00 2.12 H new ATOM 0 HD22 LEU A 97 -10.572 5.080 5.867 1.00 2.12 H new ATOM 0 HD23 LEU A 97 -9.318 4.731 4.654 1.00 2.12 H new ATOM 1591 N ALA A 98 -10.367 0.668 7.632 1.00 0.77 N ATOM 1592 CA ALA A 98 -10.676 -0.622 8.309 1.00 0.86 C ATOM 1593 C ALA A 98 -11.398 -0.356 9.629 1.00 0.57 C ATOM 1594 O ALA A 98 -12.526 -0.765 9.823 1.00 0.53 O ATOM 1595 CB ALA A 98 -9.377 -1.380 8.586 1.00 1.10 C ATOM 0 H ALA A 98 -9.374 0.882 7.535 1.00 0.77 H new ATOM 0 HA ALA A 98 -11.317 -1.220 7.661 1.00 0.86 H new ATOM 0 HB1 ALA A 98 -9.605 -2.324 9.081 1.00 1.10 H new ATOM 0 HB2 ALA A 98 -8.864 -1.579 7.645 1.00 1.10 H new ATOM 0 HB3 ALA A 98 -8.735 -0.778 9.229 1.00 1.10 H new ATOM 1601 N GLY A 99 -10.755 0.315 10.539 1.00 0.47 N ATOM 1602 CA GLY A 99 -11.403 0.595 11.850 1.00 0.54 C ATOM 1603 C GLY A 99 -10.962 -0.452 12.881 1.00 0.88 C ATOM 1604 O GLY A 99 -11.076 -0.245 14.073 1.00 1.88 O ATOM 0 H GLY A 99 -9.809 0.682 10.434 1.00 0.47 H new ATOM 0 HA2 GLY A 99 -11.133 1.594 12.194 1.00 0.54 H new ATOM 0 HA3 GLY A 99 -12.487 0.578 11.741 1.00 0.54 H new ATOM 1608 N LEU A 100 -10.459 -1.576 12.437 1.00 0.88 N ATOM 1609 CA LEU A 100 -10.018 -2.626 13.397 1.00 0.99 C ATOM 1610 C LEU A 100 -8.592 -2.324 13.859 1.00 0.47 C ATOM 1611 O LEU A 100 -7.914 -1.486 13.302 1.00 0.75 O ATOM 1612 CB LEU A 100 -10.043 -3.987 12.701 1.00 1.50 C ATOM 1613 CG LEU A 100 -11.135 -4.864 13.312 1.00 2.04 C ATOM 1614 CD1 LEU A 100 -11.972 -5.485 12.194 1.00 2.02 C ATOM 1615 CD2 LEU A 100 -10.488 -5.976 14.141 1.00 2.78 C ATOM 0 H LEU A 100 -10.336 -1.809 11.452 1.00 0.88 H new ATOM 0 HA LEU A 100 -10.687 -2.639 14.257 1.00 0.99 H new ATOM 0 HB2 LEU A 100 -10.224 -3.856 11.634 1.00 1.50 H new ATOM 0 HB3 LEU A 100 -9.074 -4.475 12.802 1.00 1.50 H new ATOM 0 HG LEU A 100 -11.775 -4.257 13.952 1.00 2.04 H new ATOM 0 HD11 LEU A 100 -12.752 -6.111 12.628 1.00 2.02 H new ATOM 0 HD12 LEU A 100 -12.430 -4.694 11.600 1.00 2.02 H new ATOM 0 HD13 LEU A 100 -11.332 -6.093 11.555 1.00 2.02 H new ATOM 0 HD21 LEU A 100 -11.265 -6.603 14.578 1.00 2.78 H new ATOM 0 HD22 LEU A 100 -9.850 -6.583 13.500 1.00 2.78 H new ATOM 0 HD23 LEU A 100 -9.888 -5.534 14.937 1.00 2.78 H new ATOM 1627 N ASN A 101 -8.132 -3.005 14.873 1.00 0.50 N ATOM 1628 CA ASN A 101 -6.749 -2.762 15.371 1.00 0.61 C ATOM 1629 C ASN A 101 -5.744 -3.391 14.396 1.00 1.09 C ATOM 1630 O ASN A 101 -6.029 -3.546 13.225 1.00 1.20 O ATOM 1631 CB ASN A 101 -6.602 -3.390 16.760 1.00 0.99 C ATOM 1632 CG ASN A 101 -6.532 -4.913 16.630 1.00 1.87 C ATOM 1633 OD1 ASN A 101 -7.133 -5.487 15.744 1.00 2.51 O ATOM 1634 ND2 ASN A 101 -5.822 -5.596 17.485 1.00 2.67 N ATOM 0 H ASN A 101 -8.655 -3.720 15.378 1.00 0.50 H new ATOM 0 HA ASN A 101 -6.556 -1.691 15.439 1.00 0.61 H new ATOM 0 HB2 ASN A 101 -5.702 -3.015 17.246 1.00 0.99 H new ATOM 0 HB3 ASN A 101 -7.446 -3.107 17.389 1.00 0.99 H new ATOM 0 HD21 ASN A 101 -5.771 -6.612 17.410 1.00 2.67 H new ATOM 0 HD22 ASN A 101 -5.317 -5.114 18.229 1.00 2.67 H new ATOM 1641 N SER A 102 -4.572 -3.751 14.862 1.00 2.14 N ATOM 1642 CA SER A 102 -3.561 -4.367 13.952 1.00 2.65 C ATOM 1643 C SER A 102 -4.192 -5.548 13.211 1.00 1.92 C ATOM 1644 O SER A 102 -5.299 -5.955 13.504 1.00 1.73 O ATOM 1645 CB SER A 102 -2.370 -4.859 14.774 1.00 3.79 C ATOM 1646 OG SER A 102 -1.615 -3.742 15.223 1.00 4.80 O ATOM 0 H SER A 102 -4.274 -3.644 15.832 1.00 2.14 H new ATOM 0 HA SER A 102 -3.223 -3.625 13.229 1.00 2.65 H new ATOM 0 HB2 SER A 102 -2.718 -5.443 15.626 1.00 3.79 H new ATOM 0 HB3 SER A 102 -1.744 -5.517 14.171 1.00 3.79 H new ATOM 0 HG SER A 102 -0.851 -4.055 15.752 1.00 4.80 H new ATOM 1652 N CYS A 103 -3.502 -6.099 12.249 1.00 1.70 N ATOM 1653 CA CYS A 103 -4.073 -7.247 11.490 1.00 1.01 C ATOM 1654 C CYS A 103 -3.017 -8.364 11.373 1.00 0.89 C ATOM 1655 O CYS A 103 -1.989 -8.158 10.758 1.00 0.99 O ATOM 1656 CB CYS A 103 -4.458 -6.774 10.088 1.00 0.72 C ATOM 1657 SG CYS A 103 -6.094 -6.000 10.136 1.00 0.22 S ATOM 0 H CYS A 103 -2.570 -5.804 11.957 1.00 1.70 H new ATOM 0 HA CYS A 103 -4.951 -7.629 12.010 1.00 1.01 H new ATOM 0 HB2 CYS A 103 -3.719 -6.063 9.717 1.00 0.72 H new ATOM 0 HB3 CYS A 103 -4.464 -7.617 9.397 1.00 0.72 H new ATOM 1662 N PRO A 104 -3.287 -9.518 11.952 1.00 0.72 N ATOM 1663 CA PRO A 104 -2.343 -10.650 11.893 1.00 0.65 C ATOM 1664 C PRO A 104 -2.104 -11.063 10.437 1.00 0.62 C ATOM 1665 O PRO A 104 -2.858 -11.826 9.867 1.00 0.50 O ATOM 1666 CB PRO A 104 -3.031 -11.782 12.669 1.00 0.52 C ATOM 1667 CG PRO A 104 -4.389 -11.244 13.183 1.00 0.49 C ATOM 1668 CD PRO A 104 -4.528 -9.792 12.702 1.00 0.61 C ATOM 0 HA PRO A 104 -1.370 -10.400 12.316 1.00 0.65 H new ATOM 0 HB2 PRO A 104 -3.182 -12.649 12.026 1.00 0.52 H new ATOM 0 HB3 PRO A 104 -2.409 -12.107 13.502 1.00 0.52 H new ATOM 0 HG2 PRO A 104 -5.210 -11.853 12.804 1.00 0.49 H new ATOM 0 HG3 PRO A 104 -4.432 -11.292 14.271 1.00 0.49 H new ATOM 0 HD2 PRO A 104 -5.407 -9.668 12.069 1.00 0.61 H new ATOM 0 HD3 PRO A 104 -4.641 -9.107 13.542 1.00 0.61 H new ATOM 1676 N VAL A 105 -1.061 -10.563 9.831 1.00 0.76 N ATOM 1677 CA VAL A 105 -0.775 -10.926 8.413 1.00 0.74 C ATOM 1678 C VAL A 105 0.441 -11.856 8.358 1.00 1.29 C ATOM 1679 O VAL A 105 1.556 -11.422 8.145 1.00 1.63 O ATOM 1680 CB VAL A 105 -0.477 -9.654 7.616 1.00 0.45 C ATOM 1681 CG1 VAL A 105 0.597 -8.840 8.339 1.00 1.42 C ATOM 1682 CG2 VAL A 105 0.026 -10.031 6.221 1.00 1.39 C ATOM 0 H VAL A 105 -0.394 -9.919 10.257 1.00 0.76 H new ATOM 0 HA VAL A 105 -1.640 -11.433 7.985 1.00 0.74 H new ATOM 0 HB VAL A 105 -1.387 -9.061 7.527 1.00 0.45 H new ATOM 0 HG11 VAL A 105 0.810 -7.934 7.772 1.00 1.42 H new ATOM 0 HG12 VAL A 105 0.241 -8.571 9.334 1.00 1.42 H new ATOM 0 HG13 VAL A 105 1.506 -9.435 8.427 1.00 1.42 H new ATOM 0 HG21 VAL A 105 0.238 -9.125 5.654 1.00 1.39 H new ATOM 0 HG22 VAL A 105 0.936 -10.625 6.310 1.00 1.39 H new ATOM 0 HG23 VAL A 105 -0.737 -10.613 5.704 1.00 1.39 H new ATOM 1692 N LYS A 106 0.238 -13.133 8.549 1.00 1.66 N ATOM 1693 CA LYS A 106 1.390 -14.079 8.507 1.00 2.16 C ATOM 1694 C LYS A 106 0.904 -15.473 8.103 1.00 2.06 C ATOM 1695 O LYS A 106 1.035 -16.427 8.844 1.00 2.53 O ATOM 1696 CB LYS A 106 2.041 -14.144 9.890 1.00 3.29 C ATOM 1697 CG LYS A 106 3.518 -14.512 9.741 1.00 3.88 C ATOM 1698 CD LYS A 106 3.954 -15.369 10.929 1.00 4.16 C ATOM 1699 CE LYS A 106 4.403 -16.742 10.426 1.00 4.44 C ATOM 1700 NZ LYS A 106 5.684 -16.600 9.679 1.00 5.47 N ATOM 0 H LYS A 106 -0.671 -13.559 8.731 1.00 1.66 H new ATOM 0 HA LYS A 106 2.118 -13.730 7.775 1.00 2.16 H new ATOM 0 HB2 LYS A 106 1.944 -13.183 10.395 1.00 3.29 H new ATOM 0 HB3 LYS A 106 1.532 -14.883 10.509 1.00 3.29 H new ATOM 0 HG2 LYS A 106 3.676 -15.056 8.810 1.00 3.88 H new ATOM 0 HG3 LYS A 106 4.125 -13.608 9.689 1.00 3.88 H new ATOM 0 HD2 LYS A 106 4.769 -14.881 11.464 1.00 4.16 H new ATOM 0 HD3 LYS A 106 3.130 -15.479 11.634 1.00 4.16 H new ATOM 0 HE2 LYS A 106 4.533 -17.425 11.266 1.00 4.44 H new ATOM 0 HE3 LYS A 106 3.638 -17.173 9.780 1.00 4.44 H new ATOM 0 HZ1 LYS A 106 6.154 -17.526 9.616 1.00 5.47 H new ATOM 0 HZ2 LYS A 106 5.490 -16.244 8.721 1.00 5.47 H new ATOM 0 HZ3 LYS A 106 6.304 -15.931 10.178 1.00 5.47 H new ATOM 1714 N GLU A 107 0.350 -15.597 6.928 1.00 1.80 N ATOM 1715 CA GLU A 107 -0.139 -16.927 6.466 1.00 1.95 C ATOM 1716 C GLU A 107 -0.072 -16.980 4.945 1.00 1.54 C ATOM 1717 O GLU A 107 -1.044 -17.264 4.273 1.00 1.56 O ATOM 1718 CB GLU A 107 -1.582 -17.137 6.930 1.00 2.30 C ATOM 1719 CG GLU A 107 -2.476 -16.055 6.320 1.00 1.76 C ATOM 1720 CD GLU A 107 -3.663 -15.787 7.246 1.00 2.56 C ATOM 1721 OE1 GLU A 107 -3.799 -16.500 8.225 1.00 3.70 O ATOM 1722 OE2 GLU A 107 -4.415 -14.870 6.959 1.00 2.46 O ATOM 0 H GLU A 107 0.215 -14.833 6.266 1.00 1.80 H new ATOM 0 HA GLU A 107 0.485 -17.715 6.887 1.00 1.95 H new ATOM 0 HB2 GLU A 107 -1.932 -18.125 6.630 1.00 2.30 H new ATOM 0 HB3 GLU A 107 -1.635 -17.097 8.018 1.00 2.30 H new ATOM 0 HG2 GLU A 107 -1.905 -15.139 6.170 1.00 1.76 H new ATOM 0 HG3 GLU A 107 -2.831 -16.373 5.340 1.00 1.76 H new ATOM 1729 N ALA A 108 1.078 -16.713 4.398 1.00 1.43 N ATOM 1730 CA ALA A 108 1.232 -16.748 2.923 1.00 1.13 C ATOM 1731 C ALA A 108 2.701 -16.979 2.581 1.00 0.94 C ATOM 1732 O ALA A 108 3.589 -16.583 3.309 1.00 0.91 O ATOM 1733 CB ALA A 108 0.771 -15.417 2.329 1.00 0.84 C ATOM 0 H ALA A 108 1.923 -16.470 4.915 1.00 1.43 H new ATOM 0 HA ALA A 108 0.627 -17.554 2.509 1.00 1.13 H new ATOM 0 HB1 ALA A 108 0.884 -15.443 1.245 1.00 0.84 H new ATOM 0 HB2 ALA A 108 -0.276 -15.250 2.580 1.00 0.84 H new ATOM 0 HB3 ALA A 108 1.376 -14.607 2.737 1.00 0.84 H new ATOM 1739 N ASP A 109 2.963 -17.607 1.474 1.00 1.07 N ATOM 1740 CA ASP A 109 4.376 -17.856 1.079 1.00 0.94 C ATOM 1741 C ASP A 109 5.061 -16.513 0.847 1.00 0.71 C ATOM 1742 O ASP A 109 4.418 -15.485 0.795 1.00 0.66 O ATOM 1743 CB ASP A 109 4.414 -18.678 -0.212 1.00 0.82 C ATOM 1744 CG ASP A 109 4.896 -20.096 0.095 1.00 1.38 C ATOM 1745 OD1 ASP A 109 4.325 -20.716 0.978 1.00 1.21 O ATOM 1746 OD2 ASP A 109 5.829 -20.538 -0.556 1.00 2.55 O ATOM 0 H ASP A 109 2.261 -17.960 0.824 1.00 1.07 H new ATOM 0 HA ASP A 109 4.889 -18.407 1.867 1.00 0.94 H new ATOM 0 HB2 ASP A 109 3.422 -18.710 -0.663 1.00 0.82 H new ATOM 0 HB3 ASP A 109 5.079 -18.206 -0.936 1.00 0.82 H new ATOM 1751 N GLN A 110 6.355 -16.507 0.705 1.00 0.93 N ATOM 1752 CA GLN A 110 7.063 -15.219 0.472 1.00 0.78 C ATOM 1753 C GLN A 110 6.881 -14.804 -0.988 1.00 0.77 C ATOM 1754 O GLN A 110 7.702 -15.093 -1.835 1.00 0.83 O ATOM 1755 CB GLN A 110 8.552 -15.386 0.782 1.00 0.76 C ATOM 1756 CG GLN A 110 9.052 -14.172 1.567 1.00 1.01 C ATOM 1757 CD GLN A 110 9.185 -14.539 3.046 1.00 1.28 C ATOM 1758 OE1 GLN A 110 10.143 -14.163 3.694 1.00 2.21 O ATOM 1759 NE2 GLN A 110 8.259 -15.261 3.613 1.00 1.47 N ATOM 0 H GLN A 110 6.951 -17.334 0.740 1.00 0.93 H new ATOM 0 HA GLN A 110 6.649 -14.450 1.124 1.00 0.78 H new ATOM 0 HB2 GLN A 110 8.714 -16.297 1.359 1.00 0.76 H new ATOM 0 HB3 GLN A 110 9.117 -15.491 -0.144 1.00 0.76 H new ATOM 0 HG2 GLN A 110 10.015 -13.844 1.175 1.00 1.01 H new ATOM 0 HG3 GLN A 110 8.359 -13.339 1.449 1.00 1.01 H new ATOM 0 HE21 GLN A 110 7.455 -15.577 3.071 1.00 1.47 H new ATOM 0 HE22 GLN A 110 8.339 -15.510 4.599 1.00 1.47 H new ATOM 1768 N SER A 111 5.809 -14.129 -1.287 1.00 0.82 N ATOM 1769 CA SER A 111 5.570 -13.693 -2.689 1.00 0.81 C ATOM 1770 C SER A 111 6.457 -12.490 -2.993 1.00 0.81 C ATOM 1771 O SER A 111 7.440 -12.248 -2.324 1.00 1.31 O ATOM 1772 CB SER A 111 4.099 -13.307 -2.856 1.00 0.80 C ATOM 1773 OG SER A 111 3.595 -13.893 -4.049 1.00 1.95 O ATOM 0 H SER A 111 5.086 -13.860 -0.620 1.00 0.82 H new ATOM 0 HA SER A 111 5.808 -14.504 -3.377 1.00 0.81 H new ATOM 0 HB2 SER A 111 3.521 -13.648 -1.997 1.00 0.80 H new ATOM 0 HB3 SER A 111 3.998 -12.223 -2.898 1.00 0.80 H new ATOM 0 HG SER A 111 2.652 -13.650 -4.160 1.00 1.95 H new ATOM 1779 N THR A 112 6.120 -11.736 -3.995 1.00 0.67 N ATOM 1780 CA THR A 112 6.942 -10.546 -4.336 1.00 0.68 C ATOM 1781 C THR A 112 6.083 -9.289 -4.190 1.00 0.75 C ATOM 1782 O THR A 112 4.912 -9.286 -4.517 1.00 0.83 O ATOM 1783 CB THR A 112 7.439 -10.672 -5.776 1.00 0.68 C ATOM 1784 OG1 THR A 112 6.343 -10.519 -6.665 1.00 0.69 O ATOM 1785 CG2 THR A 112 8.075 -12.048 -5.974 1.00 0.78 C ATOM 0 H THR A 112 5.310 -11.891 -4.595 1.00 0.67 H new ATOM 0 HA THR A 112 7.799 -10.479 -3.666 1.00 0.68 H new ATOM 0 HB THR A 112 8.181 -9.899 -5.979 1.00 0.68 H new ATOM 0 HG1 THR A 112 6.658 -10.597 -7.590 1.00 0.69 H new ATOM 0 HG21 THR A 112 8.430 -12.140 -7.000 1.00 0.78 H new ATOM 0 HG22 THR A 112 8.914 -12.163 -5.288 1.00 0.78 H new ATOM 0 HG23 THR A 112 7.335 -12.823 -5.775 1.00 0.78 H new ATOM 1793 N LEU A 113 6.649 -8.220 -3.696 1.00 0.71 N ATOM 1794 CA LEU A 113 5.853 -6.971 -3.524 1.00 0.78 C ATOM 1795 C LEU A 113 5.534 -6.340 -4.885 1.00 0.68 C ATOM 1796 O LEU A 113 4.794 -5.382 -4.963 1.00 0.61 O ATOM 1797 CB LEU A 113 6.639 -5.970 -2.675 1.00 0.99 C ATOM 1798 CG LEU A 113 5.659 -5.025 -1.972 1.00 1.28 C ATOM 1799 CD1 LEU A 113 6.049 -4.870 -0.502 1.00 1.35 C ATOM 1800 CD2 LEU A 113 5.698 -3.655 -2.647 1.00 1.18 C ATOM 0 H LEU A 113 7.625 -8.158 -3.405 1.00 0.71 H new ATOM 0 HA LEU A 113 4.918 -7.225 -3.025 1.00 0.78 H new ATOM 0 HB2 LEU A 113 7.246 -6.497 -1.939 1.00 0.99 H new ATOM 0 HB3 LEU A 113 7.324 -5.401 -3.304 1.00 0.99 H new ATOM 0 HG LEU A 113 4.654 -5.442 -2.039 1.00 1.28 H new ATOM 0 HD11 LEU A 113 5.348 -4.197 -0.009 1.00 1.35 H new ATOM 0 HD12 LEU A 113 6.022 -5.844 -0.014 1.00 1.35 H new ATOM 0 HD13 LEU A 113 7.056 -4.458 -0.434 1.00 1.35 H new ATOM 0 HD21 LEU A 113 5.001 -2.983 -2.147 1.00 1.18 H new ATOM 0 HD22 LEU A 113 6.706 -3.246 -2.582 1.00 1.18 H new ATOM 0 HD23 LEU A 113 5.415 -3.757 -3.695 1.00 1.18 H new ATOM 1812 N GLU A 114 6.072 -6.852 -5.962 1.00 0.70 N ATOM 1813 CA GLU A 114 5.762 -6.250 -7.286 1.00 0.64 C ATOM 1814 C GLU A 114 4.335 -6.633 -7.690 1.00 0.52 C ATOM 1815 O GLU A 114 3.543 -5.797 -8.077 1.00 0.42 O ATOM 1816 CB GLU A 114 6.750 -6.767 -8.333 1.00 0.61 C ATOM 1817 CG GLU A 114 8.169 -6.746 -7.765 1.00 1.85 C ATOM 1818 CD GLU A 114 9.176 -6.916 -8.904 1.00 1.69 C ATOM 1819 OE1 GLU A 114 9.115 -6.140 -9.842 1.00 1.14 O ATOM 1820 OE2 GLU A 114 9.993 -7.820 -8.817 1.00 2.77 O ATOM 0 H GLU A 114 6.705 -7.652 -5.980 1.00 0.70 H new ATOM 0 HA GLU A 114 5.846 -5.165 -7.223 1.00 0.64 H new ATOM 0 HB2 GLU A 114 6.482 -7.781 -8.629 1.00 0.61 H new ATOM 0 HB3 GLU A 114 6.699 -6.150 -9.230 1.00 0.61 H new ATOM 0 HG2 GLU A 114 8.349 -5.806 -7.243 1.00 1.85 H new ATOM 0 HG3 GLU A 114 8.292 -7.545 -7.034 1.00 1.85 H new ATOM 1827 N ASN A 115 4.001 -7.891 -7.594 1.00 0.56 N ATOM 1828 CA ASN A 115 2.625 -8.331 -7.963 1.00 0.48 C ATOM 1829 C ASN A 115 1.646 -7.958 -6.846 1.00 0.53 C ATOM 1830 O ASN A 115 0.458 -7.856 -7.069 1.00 0.53 O ATOM 1831 CB ASN A 115 2.604 -9.848 -8.168 1.00 0.40 C ATOM 1832 CG ASN A 115 1.618 -10.483 -7.184 1.00 2.01 C ATOM 1833 OD1 ASN A 115 0.421 -10.426 -7.384 1.00 2.67 O ATOM 1834 ND2 ASN A 115 2.073 -11.092 -6.123 1.00 3.29 N ATOM 0 H ASN A 115 4.623 -8.634 -7.275 1.00 0.56 H new ATOM 0 HA ASN A 115 2.329 -7.835 -8.887 1.00 0.48 H new ATOM 0 HB2 ASN A 115 2.314 -10.083 -9.192 1.00 0.40 H new ATOM 0 HB3 ASN A 115 3.602 -10.260 -8.016 1.00 0.40 H new ATOM 0 HD21 ASN A 115 1.424 -11.520 -5.463 1.00 3.29 H new ATOM 0 HD22 ASN A 115 3.078 -11.140 -5.954 1.00 3.29 H new ATOM 1841 N PHE A 116 2.127 -7.749 -5.649 1.00 0.58 N ATOM 1842 CA PHE A 116 1.207 -7.377 -4.540 1.00 0.63 C ATOM 1843 C PHE A 116 0.736 -5.935 -4.746 1.00 0.66 C ATOM 1844 O PHE A 116 -0.440 -5.644 -4.698 1.00 0.70 O ATOM 1845 CB PHE A 116 1.941 -7.489 -3.203 1.00 0.74 C ATOM 1846 CG PHE A 116 1.159 -6.755 -2.143 1.00 0.77 C ATOM 1847 CD1 PHE A 116 -0.114 -7.205 -1.778 1.00 0.78 C ATOM 1848 CD2 PHE A 116 1.707 -5.625 -1.527 1.00 0.87 C ATOM 1849 CE1 PHE A 116 -0.842 -6.523 -0.797 1.00 0.82 C ATOM 1850 CE2 PHE A 116 0.980 -4.942 -0.545 1.00 0.89 C ATOM 1851 CZ PHE A 116 -0.296 -5.391 -0.180 1.00 0.82 C ATOM 0 H PHE A 116 3.112 -7.820 -5.394 1.00 0.58 H new ATOM 0 HA PHE A 116 0.349 -8.049 -4.534 1.00 0.63 H new ATOM 0 HB2 PHE A 116 2.057 -8.537 -2.925 1.00 0.74 H new ATOM 0 HB3 PHE A 116 2.943 -7.069 -3.289 1.00 0.74 H new ATOM 0 HD1 PHE A 116 -0.535 -8.079 -2.253 1.00 0.78 H new ATOM 0 HD2 PHE A 116 2.691 -5.280 -1.809 1.00 0.87 H new ATOM 0 HE1 PHE A 116 -1.825 -6.870 -0.516 1.00 0.82 H new ATOM 0 HE2 PHE A 116 1.402 -4.069 -0.069 1.00 0.89 H new ATOM 0 HZ PHE A 116 -0.858 -4.864 0.577 1.00 0.82 H new ATOM 1861 N LEU A 117 1.650 -5.035 -4.986 1.00 0.65 N ATOM 1862 CA LEU A 117 1.263 -3.614 -5.211 1.00 0.68 C ATOM 1863 C LEU A 117 0.416 -3.531 -6.479 1.00 0.66 C ATOM 1864 O LEU A 117 -0.522 -2.765 -6.565 1.00 0.74 O ATOM 1865 CB LEU A 117 2.523 -2.764 -5.384 1.00 0.70 C ATOM 1866 CG LEU A 117 2.513 -1.612 -4.378 1.00 0.80 C ATOM 1867 CD1 LEU A 117 1.282 -0.735 -4.611 1.00 2.12 C ATOM 1868 CD2 LEU A 117 2.471 -2.180 -2.958 1.00 1.91 C ATOM 0 H LEU A 117 2.651 -5.224 -5.036 1.00 0.65 H new ATOM 0 HA LEU A 117 0.694 -3.244 -4.358 1.00 0.68 H new ATOM 0 HB2 LEU A 117 3.411 -3.379 -5.237 1.00 0.70 H new ATOM 0 HB3 LEU A 117 2.571 -2.372 -6.400 1.00 0.70 H new ATOM 0 HG LEU A 117 3.413 -1.011 -4.507 1.00 0.80 H new ATOM 0 HD11 LEU A 117 1.278 0.085 -3.893 1.00 2.12 H new ATOM 0 HD12 LEU A 117 1.310 -0.331 -5.623 1.00 2.12 H new ATOM 0 HD13 LEU A 117 0.380 -1.333 -4.484 1.00 2.12 H new ATOM 0 HD21 LEU A 117 2.464 -1.361 -2.239 1.00 1.91 H new ATOM 0 HD22 LEU A 117 1.570 -2.781 -2.833 1.00 1.91 H new ATOM 0 HD23 LEU A 117 3.349 -2.803 -2.789 1.00 1.91 H new ATOM 1880 N GLU A 118 0.744 -4.322 -7.462 1.00 0.55 N ATOM 1881 CA GLU A 118 -0.032 -4.308 -8.731 1.00 0.52 C ATOM 1882 C GLU A 118 -1.445 -4.840 -8.466 1.00 0.46 C ATOM 1883 O GLU A 118 -2.400 -4.434 -9.098 1.00 0.56 O ATOM 1884 CB GLU A 118 0.681 -5.200 -9.752 1.00 0.43 C ATOM 1885 CG GLU A 118 -0.155 -5.311 -11.026 1.00 0.47 C ATOM 1886 CD GLU A 118 0.643 -4.756 -12.209 1.00 1.07 C ATOM 1887 OE1 GLU A 118 0.817 -3.550 -12.266 1.00 2.38 O ATOM 1888 OE2 GLU A 118 1.069 -5.547 -13.034 1.00 0.83 O ATOM 0 H GLU A 118 1.522 -4.982 -7.440 1.00 0.55 H new ATOM 0 HA GLU A 118 -0.103 -3.292 -9.120 1.00 0.52 H new ATOM 0 HB2 GLU A 118 1.662 -4.786 -9.986 1.00 0.43 H new ATOM 0 HB3 GLU A 118 0.846 -6.191 -9.329 1.00 0.43 H new ATOM 0 HG2 GLU A 118 -0.422 -6.352 -11.209 1.00 0.47 H new ATOM 0 HG3 GLU A 118 -1.088 -4.759 -10.911 1.00 0.47 H new ATOM 1895 N ARG A 119 -1.584 -5.740 -7.530 1.00 0.56 N ATOM 1896 CA ARG A 119 -2.933 -6.298 -7.215 1.00 0.54 C ATOM 1897 C ARG A 119 -3.748 -5.250 -6.462 1.00 0.55 C ATOM 1898 O ARG A 119 -4.949 -5.175 -6.596 1.00 0.47 O ATOM 1899 CB ARG A 119 -2.782 -7.550 -6.346 1.00 0.62 C ATOM 1900 CG ARG A 119 -2.688 -8.788 -7.241 1.00 0.68 C ATOM 1901 CD ARG A 119 -4.095 -9.272 -7.599 1.00 1.08 C ATOM 1902 NE ARG A 119 -4.006 -10.589 -8.298 1.00 1.18 N ATOM 1903 CZ ARG A 119 -5.070 -11.344 -8.458 1.00 1.68 C ATOM 1904 NH1 ARG A 119 -6.244 -10.971 -8.008 1.00 2.26 N ATOM 1905 NH2 ARG A 119 -4.955 -12.489 -9.077 1.00 1.96 N ATOM 0 H ARG A 119 -0.820 -6.115 -6.968 1.00 0.56 H new ATOM 0 HA ARG A 119 -3.443 -6.563 -8.141 1.00 0.54 H new ATOM 0 HB2 ARG A 119 -1.890 -7.469 -5.726 1.00 0.62 H new ATOM 0 HB3 ARG A 119 -3.633 -7.641 -5.671 1.00 0.62 H new ATOM 0 HG2 ARG A 119 -2.132 -8.552 -8.148 1.00 0.68 H new ATOM 0 HG3 ARG A 119 -2.140 -9.579 -6.728 1.00 0.68 H new ATOM 0 HD2 ARG A 119 -4.699 -9.367 -6.697 1.00 1.08 H new ATOM 0 HD3 ARG A 119 -4.591 -8.542 -8.239 1.00 1.08 H new ATOM 0 HE ARG A 119 -3.106 -10.907 -8.657 1.00 1.18 H new ATOM 0 HH11 ARG A 119 -6.344 -10.079 -7.523 1.00 2.26 H new ATOM 0 HH12 ARG A 119 -7.057 -11.572 -8.143 1.00 2.26 H new ATOM 0 HH21 ARG A 119 -4.046 -12.789 -9.430 1.00 1.96 H new ATOM 0 HH22 ARG A 119 -5.774 -13.083 -9.207 1.00 1.96 H new ATOM 1919 N LEU A 120 -3.103 -4.432 -5.675 1.00 0.79 N ATOM 1920 CA LEU A 120 -3.849 -3.384 -4.923 1.00 0.88 C ATOM 1921 C LEU A 120 -4.387 -2.357 -5.920 1.00 0.77 C ATOM 1922 O LEU A 120 -5.526 -1.941 -5.843 1.00 0.81 O ATOM 1923 CB LEU A 120 -2.912 -2.700 -3.926 1.00 1.11 C ATOM 1924 CG LEU A 120 -3.544 -2.717 -2.533 1.00 1.35 C ATOM 1925 CD1 LEU A 120 -2.467 -3.016 -1.489 1.00 1.59 C ATOM 1926 CD2 LEU A 120 -4.167 -1.350 -2.243 1.00 1.19 C ATOM 0 H LEU A 120 -2.095 -4.444 -5.521 1.00 0.79 H new ATOM 0 HA LEU A 120 -4.676 -3.835 -4.375 1.00 0.88 H new ATOM 0 HB2 LEU A 120 -1.950 -3.212 -3.906 1.00 1.11 H new ATOM 0 HB3 LEU A 120 -2.721 -1.673 -4.237 1.00 1.11 H new ATOM 0 HG LEU A 120 -4.315 -3.487 -2.491 1.00 1.35 H new ATOM 0 HD11 LEU A 120 -2.916 -3.028 -0.496 1.00 1.59 H new ATOM 0 HD12 LEU A 120 -2.019 -3.988 -1.697 1.00 1.59 H new ATOM 0 HD13 LEU A 120 -1.697 -2.245 -1.529 1.00 1.59 H new ATOM 0 HD21 LEU A 120 -4.618 -1.359 -1.251 1.00 1.19 H new ATOM 0 HD22 LEU A 120 -3.394 -0.582 -2.283 1.00 1.19 H new ATOM 0 HD23 LEU A 120 -4.933 -1.134 -2.988 1.00 1.19 H new ATOM 1938 N LYS A 121 -3.579 -1.966 -6.870 1.00 0.70 N ATOM 1939 CA LYS A 121 -4.038 -0.989 -7.899 1.00 0.62 C ATOM 1940 C LYS A 121 -5.314 -1.526 -8.524 1.00 0.66 C ATOM 1941 O LYS A 121 -6.340 -0.879 -8.561 1.00 0.70 O ATOM 1942 CB LYS A 121 -2.985 -0.887 -9.000 1.00 0.79 C ATOM 1943 CG LYS A 121 -3.122 0.453 -9.727 1.00 0.66 C ATOM 1944 CD LYS A 121 -2.824 0.257 -11.216 1.00 1.03 C ATOM 1945 CE LYS A 121 -3.949 -0.561 -11.858 1.00 1.71 C ATOM 1946 NZ LYS A 121 -3.539 -1.992 -11.966 1.00 3.32 N ATOM 0 H LYS A 121 -2.616 -2.284 -6.977 1.00 0.70 H new ATOM 0 HA LYS A 121 -4.201 -0.014 -7.441 1.00 0.62 H new ATOM 0 HB2 LYS A 121 -1.987 -0.978 -8.571 1.00 0.79 H new ATOM 0 HB3 LYS A 121 -3.104 -1.708 -9.707 1.00 0.79 H new ATOM 0 HG2 LYS A 121 -4.129 0.849 -9.596 1.00 0.66 H new ATOM 0 HG3 LYS A 121 -2.434 1.183 -9.300 1.00 0.66 H new ATOM 0 HD2 LYS A 121 -2.735 1.224 -11.711 1.00 1.03 H new ATOM 0 HD3 LYS A 121 -1.870 -0.255 -11.343 1.00 1.03 H new ATOM 0 HE2 LYS A 121 -4.857 -0.478 -11.261 1.00 1.71 H new ATOM 0 HE3 LYS A 121 -4.180 -0.164 -12.847 1.00 1.71 H new ATOM 0 HZ1 LYS A 121 -3.645 -2.310 -12.951 1.00 3.32 H new ATOM 0 HZ2 LYS A 121 -2.546 -2.091 -11.675 1.00 3.32 H new ATOM 0 HZ3 LYS A 121 -4.141 -2.573 -11.348 1.00 3.32 H new ATOM 1960 N THR A 122 -5.228 -2.719 -9.021 1.00 0.64 N ATOM 1961 CA THR A 122 -6.401 -3.369 -9.667 1.00 0.70 C ATOM 1962 C THR A 122 -7.615 -3.308 -8.732 1.00 0.63 C ATOM 1963 O THR A 122 -8.728 -3.080 -9.161 1.00 0.69 O ATOM 1964 CB THR A 122 -6.070 -4.837 -9.981 1.00 0.82 C ATOM 1965 OG1 THR A 122 -4.694 -5.091 -9.768 1.00 0.57 O ATOM 1966 CG2 THR A 122 -6.405 -5.122 -11.440 1.00 1.19 C ATOM 0 H THR A 122 -4.380 -3.286 -9.009 1.00 0.64 H new ATOM 0 HA THR A 122 -6.634 -2.842 -10.592 1.00 0.70 H new ATOM 0 HB THR A 122 -6.656 -5.479 -9.323 1.00 0.82 H new ATOM 0 HG1 THR A 122 -4.499 -6.030 -9.971 1.00 0.57 H new ATOM 0 HG21 THR A 122 -6.173 -6.162 -11.670 1.00 1.19 H new ATOM 0 HG22 THR A 122 -7.466 -4.941 -11.612 1.00 1.19 H new ATOM 0 HG23 THR A 122 -5.816 -4.468 -12.083 1.00 1.19 H new ATOM 1974 N ILE A 123 -7.409 -3.519 -7.462 1.00 0.57 N ATOM 1975 CA ILE A 123 -8.551 -3.485 -6.497 1.00 0.58 C ATOM 1976 C ILE A 123 -9.235 -2.115 -6.533 1.00 0.53 C ATOM 1977 O ILE A 123 -10.442 -2.010 -6.438 1.00 0.56 O ATOM 1978 CB ILE A 123 -8.038 -3.737 -5.075 1.00 0.81 C ATOM 1979 CG1 ILE A 123 -7.675 -5.215 -4.901 1.00 1.14 C ATOM 1980 CG2 ILE A 123 -9.130 -3.361 -4.067 1.00 0.98 C ATOM 1981 CD1 ILE A 123 -7.110 -5.437 -3.498 1.00 3.07 C ATOM 0 H ILE A 123 -6.498 -3.714 -7.047 1.00 0.57 H new ATOM 0 HA ILE A 123 -9.264 -4.259 -6.781 1.00 0.58 H new ATOM 0 HB ILE A 123 -7.150 -3.129 -4.903 1.00 0.81 H new ATOM 0 HG12 ILE A 123 -8.557 -5.838 -5.053 1.00 1.14 H new ATOM 0 HG13 ILE A 123 -6.942 -5.512 -5.651 1.00 1.14 H new ATOM 0 HG21 ILE A 123 -8.768 -3.539 -3.055 1.00 0.98 H new ATOM 0 HG22 ILE A 123 -9.383 -2.307 -4.181 1.00 0.98 H new ATOM 0 HG23 ILE A 123 -10.017 -3.969 -4.247 1.00 0.98 H new ATOM 0 HD11 ILE A 123 -6.851 -6.488 -3.372 1.00 3.07 H new ATOM 0 HD12 ILE A 123 -6.218 -4.825 -3.364 1.00 3.07 H new ATOM 0 HD13 ILE A 123 -7.858 -5.156 -2.756 1.00 3.07 H new ATOM 1993 N MET A 124 -8.471 -1.065 -6.637 1.00 0.61 N ATOM 1994 CA MET A 124 -9.071 0.301 -6.643 1.00 0.88 C ATOM 1995 C MET A 124 -9.682 0.629 -8.011 1.00 0.93 C ATOM 1996 O MET A 124 -10.554 1.467 -8.122 1.00 1.15 O ATOM 1997 CB MET A 124 -7.984 1.329 -6.322 1.00 0.95 C ATOM 1998 CG MET A 124 -7.277 0.939 -5.024 1.00 0.76 C ATOM 1999 SD MET A 124 -7.691 2.140 -3.734 1.00 1.46 S ATOM 2000 CE MET A 124 -6.045 2.270 -3.000 1.00 0.30 C ATOM 0 H MET A 124 -7.455 -1.092 -6.718 1.00 0.61 H new ATOM 0 HA MET A 124 -9.861 0.334 -5.893 1.00 0.88 H new ATOM 0 HB2 MET A 124 -7.264 1.379 -7.139 1.00 0.95 H new ATOM 0 HB3 MET A 124 -8.425 2.321 -6.224 1.00 0.95 H new ATOM 0 HG2 MET A 124 -7.581 -0.062 -4.717 1.00 0.76 H new ATOM 0 HG3 MET A 124 -6.198 0.911 -5.178 1.00 0.76 H new ATOM 0 HE1 MET A 124 -6.137 2.410 -1.923 1.00 0.30 H new ATOM 0 HE2 MET A 124 -5.484 1.357 -3.200 1.00 0.30 H new ATOM 0 HE3 MET A 124 -5.520 3.121 -3.433 1.00 0.30 H new ATOM 2010 N ARG A 125 -9.229 -0.004 -9.057 1.00 1.09 N ATOM 2011 CA ARG A 125 -9.779 0.304 -10.410 1.00 1.38 C ATOM 2012 C ARG A 125 -11.096 -0.440 -10.640 1.00 1.26 C ATOM 2013 O ARG A 125 -11.927 -0.019 -11.419 1.00 1.52 O ATOM 2014 CB ARG A 125 -8.766 -0.125 -11.474 1.00 1.71 C ATOM 2015 CG ARG A 125 -9.124 0.522 -12.812 1.00 2.28 C ATOM 2016 CD ARG A 125 -9.370 -0.567 -13.860 1.00 3.54 C ATOM 2017 NE ARG A 125 -9.779 0.065 -15.148 1.00 3.69 N ATOM 2018 CZ ARG A 125 -9.767 -0.616 -16.271 1.00 4.74 C ATOM 2019 NH1 ARG A 125 -9.404 -1.876 -16.300 1.00 5.74 N ATOM 2020 NH2 ARG A 125 -10.123 -0.026 -17.380 1.00 4.92 N ATOM 0 H ARG A 125 -8.503 -0.720 -9.035 1.00 1.09 H new ATOM 0 HA ARG A 125 -9.966 1.376 -10.477 1.00 1.38 H new ATOM 0 HB2 ARG A 125 -7.761 0.170 -11.173 1.00 1.71 H new ATOM 0 HB3 ARG A 125 -8.764 -1.211 -11.572 1.00 1.71 H new ATOM 0 HG2 ARG A 125 -10.014 1.142 -12.701 1.00 2.28 H new ATOM 0 HG3 ARG A 125 -8.317 1.178 -13.137 1.00 2.28 H new ATOM 0 HD2 ARG A 125 -8.466 -1.159 -14.004 1.00 3.54 H new ATOM 0 HD3 ARG A 125 -10.146 -1.250 -13.515 1.00 3.54 H new ATOM 0 HE ARG A 125 -10.073 1.042 -15.157 1.00 3.69 H new ATOM 0 HH11 ARG A 125 -9.124 -2.346 -15.439 1.00 5.74 H new ATOM 0 HH12 ARG A 125 -9.402 -2.386 -17.183 1.00 5.74 H new ATOM 0 HH21 ARG A 125 -10.406 0.954 -17.368 1.00 4.92 H new ATOM 0 HH22 ARG A 125 -10.118 -0.545 -18.258 1.00 4.92 H new ATOM 2034 N GLU A 126 -11.288 -1.550 -9.989 1.00 1.05 N ATOM 2035 CA GLU A 126 -12.543 -2.323 -10.199 1.00 1.05 C ATOM 2036 C GLU A 126 -13.623 -1.888 -9.204 1.00 0.81 C ATOM 2037 O GLU A 126 -14.792 -1.839 -9.530 1.00 0.83 O ATOM 2038 CB GLU A 126 -12.253 -3.812 -10.006 1.00 1.28 C ATOM 2039 CG GLU A 126 -12.049 -4.472 -11.372 1.00 0.93 C ATOM 2040 CD GLU A 126 -12.419 -5.955 -11.287 1.00 1.61 C ATOM 2041 OE1 GLU A 126 -12.853 -6.378 -10.228 1.00 2.61 O ATOM 2042 OE2 GLU A 126 -12.260 -6.642 -12.282 1.00 1.80 O ATOM 0 H GLU A 126 -10.632 -1.956 -9.321 1.00 1.05 H new ATOM 0 HA GLU A 126 -12.904 -2.135 -11.210 1.00 1.05 H new ATOM 0 HB2 GLU A 126 -11.364 -3.944 -9.390 1.00 1.28 H new ATOM 0 HB3 GLU A 126 -13.079 -4.289 -9.479 1.00 1.28 H new ATOM 0 HG2 GLU A 126 -12.665 -3.976 -12.122 1.00 0.93 H new ATOM 0 HG3 GLU A 126 -11.012 -4.363 -11.688 1.00 0.93 H new ATOM 2049 N LYS A 127 -13.253 -1.606 -7.985 1.00 0.72 N ATOM 2050 CA LYS A 127 -14.277 -1.215 -6.973 1.00 0.89 C ATOM 2051 C LYS A 127 -14.488 0.305 -6.940 1.00 1.03 C ATOM 2052 O LYS A 127 -15.603 0.774 -6.816 1.00 1.40 O ATOM 2053 CB LYS A 127 -13.828 -1.693 -5.591 1.00 1.14 C ATOM 2054 CG LYS A 127 -15.057 -2.043 -4.749 1.00 2.16 C ATOM 2055 CD LYS A 127 -14.687 -1.997 -3.265 1.00 3.21 C ATOM 2056 CE LYS A 127 -15.364 -3.156 -2.532 1.00 3.44 C ATOM 2057 NZ LYS A 127 -14.467 -4.347 -2.552 1.00 2.85 N ATOM 0 H LYS A 127 -12.291 -1.629 -7.646 1.00 0.72 H new ATOM 0 HA LYS A 127 -15.222 -1.682 -7.250 1.00 0.89 H new ATOM 0 HB2 LYS A 127 -13.180 -2.564 -5.688 1.00 1.14 H new ATOM 0 HB3 LYS A 127 -13.245 -0.916 -5.097 1.00 1.14 H new ATOM 0 HG2 LYS A 127 -15.865 -1.341 -4.956 1.00 2.16 H new ATOM 0 HG3 LYS A 127 -15.422 -3.035 -5.013 1.00 2.16 H new ATOM 0 HD2 LYS A 127 -13.605 -2.061 -3.147 1.00 3.21 H new ATOM 0 HD3 LYS A 127 -14.999 -1.047 -2.831 1.00 3.21 H new ATOM 0 HE2 LYS A 127 -15.585 -2.871 -1.503 1.00 3.44 H new ATOM 0 HE3 LYS A 127 -16.315 -3.395 -3.008 1.00 3.44 H new ATOM 0 HZ1 LYS A 127 -14.926 -5.136 -2.054 1.00 2.85 H new ATOM 0 HZ2 LYS A 127 -14.278 -4.623 -3.537 1.00 2.85 H new ATOM 0 HZ3 LYS A 127 -13.570 -4.114 -2.079 1.00 2.85 H new ATOM 2071 N TYR A 128 -13.443 1.086 -7.021 1.00 0.88 N ATOM 2072 CA TYR A 128 -13.624 2.569 -6.960 1.00 1.26 C ATOM 2073 C TYR A 128 -13.803 3.167 -8.362 1.00 1.61 C ATOM 2074 O TYR A 128 -13.512 4.325 -8.587 1.00 2.23 O ATOM 2075 CB TYR A 128 -12.412 3.200 -6.269 1.00 0.96 C ATOM 2076 CG TYR A 128 -12.278 2.606 -4.888 1.00 0.26 C ATOM 2077 CD1 TYR A 128 -13.395 2.548 -4.047 1.00 1.32 C ATOM 2078 CD2 TYR A 128 -11.047 2.103 -4.450 1.00 0.64 C ATOM 2079 CE1 TYR A 128 -13.283 1.991 -2.769 1.00 2.10 C ATOM 2080 CE2 TYR A 128 -10.936 1.544 -3.170 1.00 1.44 C ATOM 2081 CZ TYR A 128 -12.054 1.489 -2.330 1.00 2.09 C ATOM 2082 OH TYR A 128 -11.943 0.938 -1.069 1.00 3.06 O ATOM 0 H TYR A 128 -12.480 0.767 -7.126 1.00 0.88 H new ATOM 0 HA TYR A 128 -14.527 2.785 -6.389 1.00 1.26 H new ATOM 0 HB2 TYR A 128 -11.508 3.015 -6.849 1.00 0.96 H new ATOM 0 HB3 TYR A 128 -12.534 4.281 -6.205 1.00 0.96 H new ATOM 0 HD1 TYR A 128 -14.345 2.934 -4.385 1.00 1.32 H new ATOM 0 HD2 TYR A 128 -10.184 2.146 -5.098 1.00 0.64 H new ATOM 0 HE1 TYR A 128 -14.146 1.949 -2.121 1.00 2.10 H new ATOM 0 HE2 TYR A 128 -9.987 1.155 -2.831 1.00 1.44 H new ATOM 0 HH TYR A 128 -12.603 0.221 -0.966 1.00 3.06 H new