USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 933 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 129 ASN : amide:sc= -7.3! C(o=-10!,f=-18!) USER MOD Set 1.2: A 132 GLN : amide:sc= -2.72! C(o=-10!,f=-14!) USER MOD Set 2.1: A 27 THR OG1 : rot 120:sc= 0 USER MOD Set 2.2: A 59 ASN : amide:sc= -4.73! C(o=-4.7!,f=-16!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -100:sc= -0.919 USER MOD Single : A 14 ASN : amide:sc= -0.0388 X(o=-0.039,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 152:sc= -0.0716 (180deg=-0.548) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= -2.37 (180deg=-3.17!) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 0.164 (180deg=-0.0508) USER MOD Single : A 34 SER OG : rot -119:sc= 3.25 USER MOD Single : A 36 CYS SG : rot 130:sc= -5.03! USER MOD Single : A 39 CYS SG : rot 71:sc= -1.43! USER MOD Single : A 41 SER OG : rot -13:sc= 0.313 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.3!) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0102 (180deg=-0.157) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 99:sc= 0.00414 USER MOD Single : A 62 THR OG1 : rot -81:sc= -1.57 USER MOD Single : A 65 SER OG : rot -161:sc= -0.601 USER MOD Single : A 70 HIS : no HD1:sc= -0.445 X(o=-0.45,f=-0.19) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.753 K(o=-0.75,f=-4.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 95 ASN : amide:sc= -1.69! C(o=-1.7!,f=-8.7!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0991 K(o=-0.099,f=-1.6!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.99) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -37:sc= 0.0379 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.6!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -1.24 USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 1.025 -0.985 12.826 1.00 0.00 N ATOM 125 CA LEU A 9 0.807 0.254 12.098 1.00 0.00 C ATOM 126 C LEU A 9 -0.697 0.503 11.963 1.00 0.00 C ATOM 127 O LEU A 9 -1.483 -0.441 11.886 1.00 0.00 O ATOM 128 CB LEU A 9 1.547 0.226 10.759 1.00 0.00 C ATOM 129 CG LEU A 9 2.863 1.005 10.706 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.618 2.507 10.858 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.856 0.477 11.745 1.00 0.00 C ATOM 0 HA LEU A 9 1.223 1.098 12.649 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.752 -0.813 10.501 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.882 0.621 9.990 1.00 0.00 H new ATOM 0 HG LEU A 9 3.312 0.850 9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.570 3.037 10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.974 2.854 10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.135 2.702 11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.783 1.048 11.686 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.429 0.581 12.742 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.065 -0.574 11.547 1.00 0.00 H new ATOM 143 N LYS A 10 -1.054 1.779 11.941 1.00 0.00 N ATOM 144 CA LYS A 10 -2.448 2.164 11.817 1.00 0.00 C ATOM 145 C LYS A 10 -2.637 2.979 10.536 1.00 0.00 C ATOM 146 O LYS A 10 -1.681 3.551 10.014 1.00 0.00 O ATOM 147 CB LYS A 10 -2.919 2.887 13.081 1.00 0.00 C ATOM 148 CG LYS A 10 -2.831 1.970 14.302 1.00 0.00 C ATOM 149 CD LYS A 10 -3.968 2.257 15.286 1.00 0.00 C ATOM 150 CE LYS A 10 -3.427 2.840 16.593 1.00 0.00 C ATOM 151 NZ LYS A 10 -3.741 1.945 17.729 1.00 0.00 N ATOM 0 H LYS A 10 -0.401 2.559 12.007 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.080 1.280 11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.309 3.776 13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.947 3.225 12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.875 0.929 13.983 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.871 2.111 14.799 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.675 2.955 14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.516 1.338 15.493 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.348 2.977 16.518 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.862 3.824 16.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.367 2.356 18.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.772 1.835 17.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.305 1.014 17.569 1.00 0.00 H new ATOM 164 N THR A 11 -3.876 3.007 10.067 1.00 0.00 N ATOM 165 CA THR A 11 -4.201 3.743 8.857 1.00 0.00 C ATOM 166 C THR A 11 -4.553 5.192 9.193 1.00 0.00 C ATOM 167 O THR A 11 -4.492 5.597 10.353 1.00 0.00 O ATOM 168 CB THR A 11 -5.326 2.995 8.137 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.255 2.685 9.173 1.00 0.00 O ATOM 170 CG2 THR A 11 -4.881 1.628 7.615 1.00 0.00 C ATOM 0 H THR A 11 -4.666 2.532 10.503 1.00 0.00 H new ATOM 0 HA THR A 11 -3.345 3.797 8.185 1.00 0.00 H new ATOM 0 HB THR A 11 -5.689 3.600 7.306 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.136 1.753 9.451 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.717 1.140 7.113 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.060 1.757 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.549 1.010 8.449 1.00 0.00 H new ATOM 178 N ALA A 12 -4.914 5.937 8.158 1.00 0.00 N ATOM 179 CA ALA A 12 -5.275 7.333 8.328 1.00 0.00 C ATOM 180 C ALA A 12 -6.665 7.421 8.963 1.00 0.00 C ATOM 181 O ALA A 12 -7.139 8.512 9.277 1.00 0.00 O ATOM 182 CB ALA A 12 -5.207 8.047 6.976 1.00 0.00 C ATOM 0 H ALA A 12 -4.964 5.598 7.197 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.573 7.832 8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.478 9.095 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.194 7.980 6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.901 7.575 6.280 1.00 0.00 H new ATOM 188 N ASP A 13 -7.276 6.259 9.136 1.00 0.00 N ATOM 189 CA ASP A 13 -8.601 6.191 9.731 1.00 0.00 C ATOM 190 C ASP A 13 -8.482 5.718 11.179 1.00 0.00 C ATOM 191 O ASP A 13 -9.452 5.232 11.759 1.00 0.00 O ATOM 192 CB ASP A 13 -9.489 5.197 8.980 1.00 0.00 C ATOM 193 CG ASP A 13 -8.750 4.269 8.015 1.00 0.00 C ATOM 194 OD1 ASP A 13 -8.021 4.725 7.122 1.00 0.00 O ATOM 195 OD2 ASP A 13 -8.949 3.009 8.210 1.00 0.00 O ATOM 0 H ASP A 13 -6.879 5.357 8.875 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.046 7.185 9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.023 4.587 9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.240 5.755 8.420 1.00 0.00 H new ATOM 201 N ASN A 14 -7.285 5.879 11.724 1.00 0.00 N ATOM 202 CA ASN A 14 -7.027 5.474 13.096 1.00 0.00 C ATOM 203 C ASN A 14 -7.388 3.997 13.265 1.00 0.00 C ATOM 204 O ASN A 14 -7.807 3.576 14.341 1.00 0.00 O ATOM 205 CB ASN A 14 -7.877 6.283 14.078 1.00 0.00 C ATOM 206 CG ASN A 14 -6.996 7.005 15.101 1.00 0.00 C ATOM 207 OD1 ASN A 14 -7.031 8.215 15.244 1.00 0.00 O ATOM 208 ND2 ASN A 14 -6.205 6.196 15.800 1.00 0.00 N ATOM 0 H ASN A 14 -6.483 6.284 11.241 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.971 5.646 13.305 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.477 7.011 13.531 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.572 5.621 14.594 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.578 6.581 16.506 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.226 5.191 15.630 1.00 0.00 H new ATOM 215 N ARG A 15 -7.211 3.251 12.184 1.00 0.00 N ATOM 216 CA ARG A 15 -7.514 1.830 12.198 1.00 0.00 C ATOM 217 C ARG A 15 -6.226 1.012 12.076 1.00 0.00 C ATOM 218 O ARG A 15 -5.264 1.452 11.449 1.00 0.00 O ATOM 219 CB ARG A 15 -8.457 1.456 11.053 1.00 0.00 C ATOM 220 CG ARG A 15 -9.872 1.978 11.315 1.00 0.00 C ATOM 221 CD ARG A 15 -10.883 1.316 10.378 1.00 0.00 C ATOM 222 NE ARG A 15 -11.967 2.270 10.047 1.00 0.00 N ATOM 223 CZ ARG A 15 -13.001 1.985 9.229 1.00 0.00 C ATOM 224 NH1 ARG A 15 -13.101 0.772 8.647 1.00 0.00 N ATOM 225 NH2 ARG A 15 -13.912 2.913 9.002 1.00 0.00 N ATOM 0 H ARG A 15 -6.862 3.604 11.293 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.004 1.605 13.145 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.081 1.869 10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.481 0.373 10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.149 1.783 12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.896 3.059 11.177 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.385 0.988 9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.301 0.427 10.850 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.929 3.200 10.464 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.391 0.061 8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.887 0.566 8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.828 3.829 9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.700 2.714 8.386 1.00 0.00 H new ATOM 238 N PRO A 16 -6.250 -0.195 12.702 1.00 0.00 N ATOM 239 CA PRO A 16 -5.097 -1.078 12.670 1.00 0.00 C ATOM 240 C PRO A 16 -4.960 -1.751 11.303 1.00 0.00 C ATOM 241 O PRO A 16 -5.933 -2.274 10.764 1.00 0.00 O ATOM 242 CB PRO A 16 -5.328 -2.069 13.798 1.00 0.00 C ATOM 243 CG PRO A 16 -6.812 -1.996 14.120 1.00 0.00 C ATOM 244 CD PRO A 16 -7.373 -0.750 13.455 1.00 0.00 C ATOM 0 HA PRO A 16 -4.156 -0.546 12.812 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.043 -3.077 13.497 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.726 -1.815 14.670 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.325 -2.886 13.757 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.967 -1.956 15.198 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.208 -0.993 12.799 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.744 -0.040 14.194 1.00 0.00 H new ATOM 252 N ALA A 17 -3.742 -1.715 10.781 1.00 0.00 N ATOM 253 CA ALA A 17 -3.465 -2.314 9.486 1.00 0.00 C ATOM 254 C ALA A 17 -3.604 -3.834 9.593 1.00 0.00 C ATOM 255 O ALA A 17 -3.714 -4.523 8.580 1.00 0.00 O ATOM 256 CB ALA A 17 -2.073 -1.887 9.014 1.00 0.00 C ATOM 0 H ALA A 17 -2.936 -1.281 11.231 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.182 -1.969 8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.865 -2.336 8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.035 -0.801 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.326 -2.220 9.735 1.00 0.00 H new ATOM 262 N SER A 18 -3.595 -4.312 10.829 1.00 0.00 N ATOM 263 CA SER A 18 -3.719 -5.738 11.081 1.00 0.00 C ATOM 264 C SER A 18 -5.051 -6.252 10.531 1.00 0.00 C ATOM 265 O SER A 18 -5.218 -7.453 10.325 1.00 0.00 O ATOM 266 CB SER A 18 -3.607 -6.043 12.575 1.00 0.00 C ATOM 267 OG SER A 18 -4.886 -6.207 13.183 1.00 0.00 O ATOM 0 H SER A 18 -3.504 -3.737 11.667 1.00 0.00 H new ATOM 0 HA SER A 18 -2.902 -6.249 10.571 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.019 -6.950 12.717 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.071 -5.234 13.071 1.00 0.00 H new ATOM 0 HG SER A 18 -4.772 -6.402 14.137 1.00 0.00 H new ATOM 273 N VAL A 19 -5.964 -5.318 10.310 1.00 0.00 N ATOM 274 CA VAL A 19 -7.276 -5.663 9.788 1.00 0.00 C ATOM 275 C VAL A 19 -7.158 -5.987 8.297 1.00 0.00 C ATOM 276 O VAL A 19 -8.050 -6.607 7.722 1.00 0.00 O ATOM 277 CB VAL A 19 -8.266 -4.533 10.077 1.00 0.00 C ATOM 278 CG1 VAL A 19 -9.599 -4.779 9.367 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.472 -4.356 11.584 1.00 0.00 C ATOM 0 H VAL A 19 -5.822 -4.323 10.483 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.663 -6.553 10.284 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.843 -3.608 9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.285 -3.962 9.588 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.434 -4.833 8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.029 -5.718 9.715 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.180 -3.547 11.762 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.863 -5.280 12.009 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.519 -4.115 12.056 1.00 0.00 H new ATOM 289 N TYR A 20 -6.049 -5.554 7.716 1.00 0.00 N ATOM 290 CA TYR A 20 -5.801 -5.792 6.305 1.00 0.00 C ATOM 291 C TYR A 20 -4.781 -6.915 6.106 1.00 0.00 C ATOM 292 O TYR A 20 -4.187 -7.035 5.037 1.00 0.00 O ATOM 293 CB TYR A 20 -5.221 -4.488 5.753 1.00 0.00 C ATOM 294 CG TYR A 20 -6.279 -3.443 5.387 1.00 0.00 C ATOM 295 CD1 TYR A 20 -7.125 -3.661 4.319 1.00 0.00 C ATOM 296 CD2 TYR A 20 -6.384 -2.282 6.125 1.00 0.00 C ATOM 297 CE1 TYR A 20 -8.118 -2.677 3.975 1.00 0.00 C ATOM 298 CE2 TYR A 20 -7.378 -1.297 5.780 1.00 0.00 C ATOM 299 CZ TYR A 20 -8.196 -1.545 4.723 1.00 0.00 C ATOM 300 OH TYR A 20 -9.134 -0.616 4.397 1.00 0.00 O ATOM 0 H TYR A 20 -5.312 -5.039 8.198 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.720 -6.088 5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.544 -4.061 6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.625 -4.713 4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.042 -4.570 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.722 -2.111 6.961 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.786 -2.835 3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.471 -0.383 6.348 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.075 0.140 5.018 1.00 0.00 H new ATOM 310 N LEU A 21 -4.609 -7.706 7.156 1.00 0.00 N ATOM 311 CA LEU A 21 -3.670 -8.813 7.110 1.00 0.00 C ATOM 312 C LEU A 21 -4.213 -9.970 7.952 1.00 0.00 C ATOM 313 O LEU A 21 -4.438 -9.818 9.151 1.00 0.00 O ATOM 314 CB LEU A 21 -2.274 -8.351 7.530 1.00 0.00 C ATOM 315 CG LEU A 21 -1.212 -8.336 6.428 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.957 -6.912 5.930 1.00 0.00 C ATOM 317 CD2 LEU A 21 0.074 -9.017 6.897 1.00 0.00 C ATOM 0 H LEU A 21 -5.104 -7.602 8.042 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.565 -9.181 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.355 -7.345 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.925 -8.999 8.334 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.591 -8.910 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.198 -6.931 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.881 -6.496 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.609 -6.294 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.812 -8.993 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.467 -8.492 7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.139 -10.052 7.163 1.00 0.00 H new ATOM 329 N LYS A 22 -4.407 -11.101 7.289 1.00 0.00 N ATOM 330 CA LYS A 22 -4.919 -12.283 7.960 1.00 0.00 C ATOM 331 C LYS A 22 -5.317 -13.327 6.916 1.00 0.00 C ATOM 332 O LYS A 22 -5.071 -13.143 5.725 1.00 0.00 O ATOM 333 CB LYS A 22 -6.053 -11.907 8.916 1.00 0.00 C ATOM 334 CG LYS A 22 -5.580 -11.950 10.372 1.00 0.00 C ATOM 335 CD LYS A 22 -6.040 -13.237 11.060 1.00 0.00 C ATOM 336 CE LYS A 22 -6.169 -13.035 12.572 1.00 0.00 C ATOM 337 NZ LYS A 22 -7.282 -12.109 12.876 1.00 0.00 N ATOM 0 H LYS A 22 -4.219 -11.223 6.294 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.144 -12.733 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.418 -10.908 8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.890 -12.593 8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.493 -11.883 10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.970 -11.086 10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.999 -13.551 10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.328 -14.037 10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.342 -13.994 13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.237 -12.637 12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.669 -12.328 13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.932 -11.130 12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.029 -12.217 12.161 1.00 0.00 H new ATOM 350 N LYS A 23 -5.925 -14.400 7.399 1.00 0.00 N ATOM 351 CA LYS A 23 -6.359 -15.473 6.520 1.00 0.00 C ATOM 352 C LYS A 23 -5.134 -16.137 5.889 1.00 0.00 C ATOM 353 O LYS A 23 -5.243 -16.794 4.854 1.00 0.00 O ATOM 354 CB LYS A 23 -7.372 -14.953 5.499 1.00 0.00 C ATOM 355 CG LYS A 23 -8.019 -16.107 4.730 1.00 0.00 C ATOM 356 CD LYS A 23 -9.458 -16.337 5.195 1.00 0.00 C ATOM 357 CE LYS A 23 -9.741 -17.829 5.389 1.00 0.00 C ATOM 358 NZ LYS A 23 -9.668 -18.187 6.823 1.00 0.00 N ATOM 0 H LYS A 23 -6.128 -14.550 8.387 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.881 -16.243 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.142 -14.374 6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.876 -14.279 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.009 -15.888 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.436 -17.017 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.631 -15.806 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.151 -15.924 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.729 -18.072 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.020 -18.419 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.862 -19.202 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.717 -17.973 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.373 -17.637 7.354 1.00 0.00 H new ATOM 371 N ASP A 24 -3.994 -15.941 6.537 1.00 0.00 N ATOM 372 CA ASP A 24 -2.750 -16.513 6.050 1.00 0.00 C ATOM 373 C ASP A 24 -2.699 -16.390 4.527 1.00 0.00 C ATOM 374 O ASP A 24 -2.239 -17.303 3.842 1.00 0.00 O ATOM 375 CB ASP A 24 -2.648 -17.996 6.409 1.00 0.00 C ATOM 376 CG ASP A 24 -3.022 -18.340 7.852 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.574 -17.506 8.586 1.00 0.00 O ATOM 378 OD2 ASP A 24 -2.719 -19.538 8.224 1.00 0.00 O ATOM 0 H ASP A 24 -3.906 -15.395 7.394 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.926 -15.972 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.294 -18.562 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.627 -18.329 6.225 1.00 0.00 H new ATOM 384 N LYS A 25 -3.176 -15.255 4.041 1.00 0.00 N ATOM 385 CA LYS A 25 -3.190 -15.000 2.610 1.00 0.00 C ATOM 386 C LYS A 25 -2.090 -13.995 2.264 1.00 0.00 C ATOM 387 O LYS A 25 -1.471 -13.416 3.155 1.00 0.00 O ATOM 388 CB LYS A 25 -4.585 -14.566 2.155 1.00 0.00 C ATOM 389 CG LYS A 25 -4.736 -13.045 2.229 1.00 0.00 C ATOM 390 CD LYS A 25 -5.931 -12.572 1.399 1.00 0.00 C ATOM 391 CE LYS A 25 -7.157 -12.339 2.284 1.00 0.00 C ATOM 392 NZ LYS A 25 -7.787 -13.628 2.646 1.00 0.00 N ATOM 0 H LYS A 25 -3.556 -14.500 4.612 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.971 -15.915 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.760 -14.903 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.340 -15.041 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.866 -12.739 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.825 -12.567 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.674 -11.650 0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.165 -13.315 0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.864 -11.804 3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.877 -11.710 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.396 -13.495 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.360 -13.970 1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.048 -14.326 2.866 1.00 0.00 H new ATOM 405 N PRO A 26 -1.875 -13.813 0.934 1.00 0.00 N ATOM 406 CA PRO A 26 -0.861 -12.888 0.459 1.00 0.00 C ATOM 407 C PRO A 26 -1.324 -11.438 0.617 1.00 0.00 C ATOM 408 O PRO A 26 -2.523 -11.162 0.618 1.00 0.00 O ATOM 409 CB PRO A 26 -0.619 -13.279 -0.991 1.00 0.00 C ATOM 410 CG PRO A 26 -1.828 -14.098 -1.409 1.00 0.00 C ATOM 411 CD PRO A 26 -2.589 -14.481 -0.151 1.00 0.00 C ATOM 0 HA PRO A 26 0.063 -12.947 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.509 -12.396 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.299 -13.858 -1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.465 -13.522 -2.080 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.516 -14.990 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.627 -14.154 -0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.602 -15.562 -0.010 1.00 0.00 H new ATOM 419 N THR A 27 -0.350 -10.550 0.746 1.00 0.00 N ATOM 420 CA THR A 27 -0.642 -9.136 0.905 1.00 0.00 C ATOM 421 C THR A 27 0.184 -8.306 -0.081 1.00 0.00 C ATOM 422 O THR A 27 1.353 -8.605 -0.322 1.00 0.00 O ATOM 423 CB THR A 27 -0.395 -8.763 2.368 1.00 0.00 C ATOM 424 OG1 THR A 27 -1.388 -9.492 3.085 1.00 0.00 O ATOM 425 CG2 THR A 27 -0.724 -7.297 2.662 1.00 0.00 C ATOM 0 H THR A 27 0.643 -10.783 0.744 1.00 0.00 H new ATOM 0 HA THR A 27 -1.684 -8.919 0.671 1.00 0.00 H new ATOM 0 HB THR A 27 0.647 -8.959 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.953 -10.101 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.531 -7.085 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.101 -6.653 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.774 -7.108 2.440 1.00 0.00 H new ATOM 433 N LEU A 28 -0.456 -7.281 -0.624 1.00 0.00 N ATOM 434 CA LEU A 28 0.204 -6.406 -1.579 1.00 0.00 C ATOM 435 C LEU A 28 0.187 -4.973 -1.045 1.00 0.00 C ATOM 436 O LEU A 28 -0.877 -4.414 -0.787 1.00 0.00 O ATOM 437 CB LEU A 28 -0.424 -6.555 -2.966 1.00 0.00 C ATOM 438 CG LEU A 28 0.498 -6.270 -4.153 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.584 -7.340 -4.270 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.306 -6.125 -5.447 1.00 0.00 C ATOM 0 H LEU A 28 -1.425 -7.036 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 28 1.250 -6.690 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.805 -7.572 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.282 -5.885 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 28 1.000 -5.319 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.226 -7.115 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.181 -7.353 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.120 -8.316 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.372 -5.923 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.852 -7.048 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.012 -5.301 -5.346 1.00 0.00 H new ATOM 452 N ILE A 29 1.382 -4.417 -0.895 1.00 0.00 N ATOM 453 CA ILE A 29 1.519 -3.059 -0.398 1.00 0.00 C ATOM 454 C ILE A 29 1.993 -2.150 -1.534 1.00 0.00 C ATOM 455 O ILE A 29 2.731 -2.585 -2.415 1.00 0.00 O ATOM 456 CB ILE A 29 2.424 -3.028 0.834 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.019 -4.108 1.840 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.446 -1.634 1.466 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.233 -4.920 2.294 1.00 0.00 C ATOM 0 H ILE A 29 2.263 -4.883 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 29 0.554 -2.676 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 29 3.442 -3.251 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.544 -3.644 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.282 -4.772 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.097 -1.641 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.820 -0.911 0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.436 -1.355 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.916 -5.680 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.692 -5.402 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.958 -4.257 2.767 1.00 0.00 H new ATOM 471 N LYS A 30 1.548 -0.903 -1.474 1.00 0.00 N ATOM 472 CA LYS A 30 1.918 0.072 -2.487 1.00 0.00 C ATOM 473 C LYS A 30 2.206 1.415 -1.814 1.00 0.00 C ATOM 474 O LYS A 30 1.398 1.905 -1.026 1.00 0.00 O ATOM 475 CB LYS A 30 0.845 0.146 -3.576 1.00 0.00 C ATOM 476 CG LYS A 30 1.131 1.292 -4.547 1.00 0.00 C ATOM 477 CD LYS A 30 -0.147 2.067 -4.872 1.00 0.00 C ATOM 478 CE LYS A 30 0.144 3.238 -5.813 1.00 0.00 C ATOM 479 NZ LYS A 30 0.406 2.748 -7.186 1.00 0.00 N ATOM 0 H LYS A 30 0.936 -0.546 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 30 2.833 -0.233 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.809 -0.797 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.134 0.288 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.869 1.966 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.564 0.896 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.874 1.398 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.595 2.439 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.702 3.925 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.006 3.798 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.300 3.532 -7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.374 2.372 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.272 1.995 -7.421 1.00 0.00 H new ATOM 492 N PHE A 31 3.360 1.974 -2.149 1.00 0.00 N ATOM 493 CA PHE A 31 3.764 3.252 -1.587 1.00 0.00 C ATOM 494 C PHE A 31 3.521 4.389 -2.581 1.00 0.00 C ATOM 495 O PHE A 31 3.650 4.200 -3.790 1.00 0.00 O ATOM 496 CB PHE A 31 5.263 3.157 -1.296 1.00 0.00 C ATOM 497 CG PHE A 31 5.642 2.016 -0.349 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.608 0.730 -0.787 1.00 0.00 C ATOM 499 CD2 PHE A 31 6.014 2.289 0.931 1.00 0.00 C ATOM 500 CE1 PHE A 31 5.960 -0.330 0.091 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.366 1.230 1.809 1.00 0.00 C ATOM 502 CZ PHE A 31 6.333 -0.056 1.371 1.00 0.00 C ATOM 0 H PHE A 31 4.028 1.565 -2.803 1.00 0.00 H new ATOM 0 HA PHE A 31 3.187 3.463 -0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.798 3.027 -2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.600 4.100 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.313 0.514 -1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.042 3.311 1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.932 -1.352 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.660 1.447 2.825 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.603 -0.861 2.039 1.00 0.00 H new ATOM 512 N TRP A 32 3.174 5.545 -2.034 1.00 0.00 N ATOM 513 CA TRP A 32 2.912 6.713 -2.857 1.00 0.00 C ATOM 514 C TRP A 32 2.879 7.939 -1.942 1.00 0.00 C ATOM 515 O TRP A 32 2.678 7.812 -0.735 1.00 0.00 O ATOM 516 CB TRP A 32 1.625 6.536 -3.665 1.00 0.00 C ATOM 517 CG TRP A 32 0.390 6.239 -2.812 1.00 0.00 C ATOM 518 CD1 TRP A 32 0.333 6.021 -1.491 1.00 0.00 C ATOM 519 CD2 TRP A 32 -0.972 6.132 -3.278 1.00 0.00 C ATOM 520 NE1 TRP A 32 -0.961 5.785 -1.073 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.780 5.854 -2.194 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.504 6.266 -4.573 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -3.166 5.686 -2.293 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.891 6.095 -4.655 1.00 0.00 C ATOM 525 CH2 TRP A 32 -3.717 5.816 -3.574 1.00 0.00 C ATOM 0 H TRP A 32 3.068 5.697 -1.031 1.00 0.00 H new ATOM 0 HA TRP A 32 3.703 6.850 -3.594 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.444 7.442 -4.244 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.765 5.724 -4.378 1.00 0.00 H new ATOM 0 HD1 TRP A 32 1.192 6.029 -0.836 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.261 5.595 -0.117 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.891 6.483 -5.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.777 5.468 -1.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.351 6.187 -5.628 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.781 5.700 -3.721 1.00 0.00 H new ATOM 536 N ALA A 33 3.080 9.097 -2.551 1.00 0.00 N ATOM 537 CA ALA A 33 3.076 10.345 -1.806 1.00 0.00 C ATOM 538 C ALA A 33 1.824 11.148 -2.169 1.00 0.00 C ATOM 539 O ALA A 33 1.251 10.957 -3.239 1.00 0.00 O ATOM 540 CB ALA A 33 4.366 11.116 -2.094 1.00 0.00 C ATOM 0 H ALA A 33 3.247 9.198 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 33 3.044 10.151 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.363 12.052 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.224 10.516 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.431 11.330 -3.161 1.00 0.00 H new ATOM 546 N SER A 34 1.439 12.027 -1.256 1.00 0.00 N ATOM 547 CA SER A 34 0.266 12.859 -1.467 1.00 0.00 C ATOM 548 C SER A 34 0.615 14.031 -2.385 1.00 0.00 C ATOM 549 O SER A 34 -0.271 14.645 -2.977 1.00 0.00 O ATOM 550 CB SER A 34 -0.290 13.373 -0.137 1.00 0.00 C ATOM 551 OG SER A 34 -1.661 13.747 -0.242 1.00 0.00 O ATOM 0 H SER A 34 1.918 12.181 -0.369 1.00 0.00 H new ATOM 0 HA SER A 34 -0.505 12.251 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.182 12.600 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.296 14.231 0.194 1.00 0.00 H new ATOM 0 HG SER A 34 -1.758 14.698 -0.025 1.00 0.00 H new ATOM 557 N TRP A 35 1.907 14.308 -2.475 1.00 0.00 N ATOM 558 CA TRP A 35 2.383 15.396 -3.311 1.00 0.00 C ATOM 559 C TRP A 35 2.345 14.926 -4.767 1.00 0.00 C ATOM 560 O TRP A 35 2.403 15.740 -5.688 1.00 0.00 O ATOM 561 CB TRP A 35 3.773 15.860 -2.871 1.00 0.00 C ATOM 562 CG TRP A 35 4.803 14.733 -2.773 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.328 14.189 -1.667 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.416 14.029 -3.875 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.231 13.190 -1.974 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.285 13.090 -3.358 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.240 14.183 -5.262 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.048 12.231 -4.160 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.008 13.316 -6.047 1.00 0.00 C ATOM 570 CH2 TRP A 35 6.888 12.365 -5.543 1.00 0.00 C ATOM 0 H TRP A 35 2.640 13.797 -1.982 1.00 0.00 H new ATOM 0 HA TRP A 35 1.738 16.269 -3.209 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.135 16.609 -3.576 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.691 16.349 -1.900 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.077 14.493 -0.662 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.761 12.629 -1.307 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.566 14.912 -5.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.723 11.504 -3.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.910 13.391 -7.120 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.446 11.732 -6.217 1.00 0.00 H new ATOM 581 N CYS A 36 2.247 13.615 -4.929 1.00 0.00 N ATOM 582 CA CYS A 36 2.198 13.026 -6.257 1.00 0.00 C ATOM 583 C CYS A 36 0.807 13.273 -6.842 1.00 0.00 C ATOM 584 O CYS A 36 -0.200 13.054 -6.170 1.00 0.00 O ATOM 585 CB CYS A 36 2.550 11.538 -6.229 1.00 0.00 C ATOM 586 SG CYS A 36 2.466 10.843 -7.920 1.00 0.00 S ATOM 0 H CYS A 36 2.200 12.943 -4.163 1.00 0.00 H new ATOM 0 HA CYS A 36 2.947 13.497 -6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.551 11.400 -5.820 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.861 11.005 -5.573 1.00 0.00 H new ATOM 0 HG CYS A 36 3.558 10.185 -8.173 1.00 0.00 H new ATOM 592 N PRO A 37 0.794 13.737 -8.121 1.00 0.00 N ATOM 593 CA PRO A 37 -0.457 14.015 -8.804 1.00 0.00 C ATOM 594 C PRO A 37 -1.150 12.719 -9.231 1.00 0.00 C ATOM 595 O PRO A 37 -2.358 12.571 -9.057 1.00 0.00 O ATOM 596 CB PRO A 37 -0.076 14.899 -9.980 1.00 0.00 C ATOM 597 CG PRO A 37 1.419 14.703 -10.181 1.00 0.00 C ATOM 598 CD PRO A 37 1.967 14.007 -8.947 1.00 0.00 C ATOM 0 HA PRO A 37 -1.182 14.517 -8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.631 14.619 -10.875 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.309 15.944 -9.775 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.609 14.105 -11.073 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.913 15.663 -10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.486 13.086 -9.210 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.684 14.638 -8.422 1.00 0.00 H new ATOM 606 N LEU A 38 -0.353 11.814 -9.780 1.00 0.00 N ATOM 607 CA LEU A 38 -0.874 10.534 -10.232 1.00 0.00 C ATOM 608 C LEU A 38 -1.471 9.781 -9.041 1.00 0.00 C ATOM 609 O LEU A 38 -2.444 9.046 -9.193 1.00 0.00 O ATOM 610 CB LEU A 38 0.207 9.749 -10.978 1.00 0.00 C ATOM 611 CG LEU A 38 0.963 8.704 -10.156 1.00 0.00 C ATOM 612 CD1 LEU A 38 0.473 7.292 -10.480 1.00 0.00 C ATOM 613 CD2 LEU A 38 2.475 8.845 -10.348 1.00 0.00 C ATOM 0 H LEU A 38 0.649 11.941 -9.922 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.680 10.683 -10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.257 9.248 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.930 10.458 -11.381 1.00 0.00 H new ATOM 0 HG LEU A 38 0.754 8.882 -9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.027 6.568 -9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.590 7.214 -10.251 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.632 7.086 -11.538 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.989 8.090 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.722 8.708 -11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.791 9.838 -10.027 1.00 0.00 H new ATOM 625 N CYS A 39 -0.860 9.991 -7.884 1.00 0.00 N ATOM 626 CA CYS A 39 -1.320 9.341 -6.668 1.00 0.00 C ATOM 627 C CYS A 39 -2.728 9.849 -6.355 1.00 0.00 C ATOM 628 O CYS A 39 -3.664 9.059 -6.234 1.00 0.00 O ATOM 629 CB CYS A 39 -0.356 9.575 -5.503 1.00 0.00 C ATOM 630 SG CYS A 39 -1.155 9.107 -3.925 1.00 0.00 S ATOM 0 H CYS A 39 -0.052 10.601 -7.763 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.350 8.262 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.552 8.989 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.058 10.623 -5.472 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.273 7.814 -3.865 1.00 0.00 H new ATOM 636 N LEU A 40 -2.834 11.164 -6.230 1.00 0.00 N ATOM 637 CA LEU A 40 -4.114 11.786 -5.932 1.00 0.00 C ATOM 638 C LEU A 40 -5.168 11.269 -6.913 1.00 0.00 C ATOM 639 O LEU A 40 -6.283 10.936 -6.514 1.00 0.00 O ATOM 640 CB LEU A 40 -3.980 13.309 -5.921 1.00 0.00 C ATOM 641 CG LEU A 40 -3.298 13.914 -4.692 1.00 0.00 C ATOM 642 CD1 LEU A 40 -2.781 15.323 -4.988 1.00 0.00 C ATOM 643 CD2 LEU A 40 -4.231 13.887 -3.480 1.00 0.00 C ATOM 0 H LEU A 40 -2.056 11.816 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.447 11.511 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.422 13.611 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.976 13.742 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.431 13.301 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.301 15.729 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.058 15.282 -5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.615 15.964 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.723 14.322 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.130 14.463 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.506 12.856 -3.255 1.00 0.00 H new ATOM 655 N SER A 41 -4.779 11.217 -8.178 1.00 0.00 N ATOM 656 CA SER A 41 -5.676 10.747 -9.220 1.00 0.00 C ATOM 657 C SER A 41 -5.848 9.230 -9.116 1.00 0.00 C ATOM 658 O SER A 41 -6.859 8.685 -9.556 1.00 0.00 O ATOM 659 CB SER A 41 -5.159 11.129 -10.608 1.00 0.00 C ATOM 660 OG SER A 41 -3.987 10.399 -10.961 1.00 0.00 O ATOM 0 H SER A 41 -3.853 11.493 -8.506 1.00 0.00 H new ATOM 0 HA SER A 41 -6.644 11.227 -9.079 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.938 10.945 -11.348 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.942 12.197 -10.633 1.00 0.00 H new ATOM 0 HG SER A 41 -3.625 9.957 -10.165 1.00 0.00 H new ATOM 666 N GLU A 42 -4.844 8.592 -8.531 1.00 0.00 N ATOM 667 CA GLU A 42 -4.871 7.148 -8.366 1.00 0.00 C ATOM 668 C GLU A 42 -5.693 6.772 -7.131 1.00 0.00 C ATOM 669 O GLU A 42 -6.052 5.609 -6.951 1.00 0.00 O ATOM 670 CB GLU A 42 -3.453 6.581 -8.275 1.00 0.00 C ATOM 671 CG GLU A 42 -2.957 6.127 -9.649 1.00 0.00 C ATOM 672 CD GLU A 42 -1.983 4.952 -9.519 1.00 0.00 C ATOM 673 OE1 GLU A 42 -1.327 4.803 -8.479 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.923 4.177 -10.550 1.00 0.00 O ATOM 0 H GLU A 42 -4.008 9.048 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.347 6.709 -9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.780 7.338 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.437 5.740 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.805 5.834 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.465 6.958 -10.155 1.00 0.00 H new ATOM 682 N LEU A 43 -5.965 7.777 -6.313 1.00 0.00 N ATOM 683 CA LEU A 43 -6.738 7.566 -5.100 1.00 0.00 C ATOM 684 C LEU A 43 -7.938 6.669 -5.414 1.00 0.00 C ATOM 685 O LEU A 43 -8.169 5.675 -4.730 1.00 0.00 O ATOM 686 CB LEU A 43 -7.120 8.906 -4.468 1.00 0.00 C ATOM 687 CG LEU A 43 -6.022 9.604 -3.662 1.00 0.00 C ATOM 688 CD1 LEU A 43 -6.473 10.996 -3.214 1.00 0.00 C ATOM 689 CD2 LEU A 43 -5.575 8.739 -2.481 1.00 0.00 C ATOM 0 H LEU A 43 -5.664 8.740 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.139 7.047 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.445 9.580 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.977 8.746 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.155 9.738 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.675 11.471 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.704 11.603 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.362 10.907 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.794 9.258 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.425 8.552 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.187 7.790 -2.851 1.00 0.00 H new ATOM 701 N GLY A 44 -8.669 7.056 -6.449 1.00 0.00 N ATOM 702 CA GLY A 44 -9.839 6.300 -6.863 1.00 0.00 C ATOM 703 C GLY A 44 -9.440 4.930 -7.412 1.00 0.00 C ATOM 704 O GLY A 44 -9.942 3.903 -6.954 1.00 0.00 O ATOM 0 H GLY A 44 -8.474 7.883 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.513 6.174 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.385 6.856 -7.625 1.00 0.00 H new ATOM 708 N GLN A 45 -8.542 4.956 -8.386 1.00 0.00 N ATOM 709 CA GLN A 45 -8.070 3.729 -9.003 1.00 0.00 C ATOM 710 C GLN A 45 -7.601 2.741 -7.931 1.00 0.00 C ATOM 711 O GLN A 45 -7.864 1.544 -8.028 1.00 0.00 O ATOM 712 CB GLN A 45 -6.955 4.014 -10.010 1.00 0.00 C ATOM 713 CG GLN A 45 -6.554 2.742 -10.760 1.00 0.00 C ATOM 714 CD GLN A 45 -5.953 3.078 -12.126 1.00 0.00 C ATOM 715 OE1 GLN A 45 -6.620 3.066 -13.147 1.00 0.00 O ATOM 716 NE2 GLN A 45 -4.657 3.378 -12.088 1.00 0.00 N ATOM 0 H GLN A 45 -8.129 5.809 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.900 3.278 -9.548 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.287 4.770 -10.721 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.088 4.423 -9.492 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.831 2.180 -10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.427 2.102 -10.890 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.157 3.369 -11.199 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.163 3.617 -12.948 1.00 0.00 H new ATOM 725 N THR A 46 -6.918 3.282 -6.933 1.00 0.00 N ATOM 726 CA THR A 46 -6.412 2.464 -5.844 1.00 0.00 C ATOM 727 C THR A 46 -7.567 1.911 -5.009 1.00 0.00 C ATOM 728 O THR A 46 -7.561 0.740 -4.631 1.00 0.00 O ATOM 729 CB THR A 46 -5.428 3.312 -5.034 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.467 3.742 -5.995 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.615 2.478 -4.042 1.00 0.00 C ATOM 0 H THR A 46 -6.703 4.276 -6.856 1.00 0.00 H new ATOM 0 HA THR A 46 -5.879 1.591 -6.221 1.00 0.00 H new ATOM 0 HB THR A 46 -5.974 4.086 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.806 4.532 -6.466 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.933 3.128 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.290 1.986 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.042 1.725 -4.583 1.00 0.00 H new ATOM 739 N GLU A 47 -8.532 2.780 -4.745 1.00 0.00 N ATOM 740 CA GLU A 47 -9.694 2.393 -3.961 1.00 0.00 C ATOM 741 C GLU A 47 -10.594 1.459 -4.772 1.00 0.00 C ATOM 742 O GLU A 47 -11.298 0.624 -4.208 1.00 0.00 O ATOM 743 CB GLU A 47 -10.468 3.624 -3.485 1.00 0.00 C ATOM 744 CG GLU A 47 -11.460 3.253 -2.380 1.00 0.00 C ATOM 745 CD GLU A 47 -12.003 4.505 -1.689 1.00 0.00 C ATOM 746 OE1 GLU A 47 -11.956 5.601 -2.266 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.488 4.310 -0.510 1.00 0.00 O ATOM 0 H GLU A 47 -8.533 3.750 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.350 1.856 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.771 4.376 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.002 4.069 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.285 2.680 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.970 2.612 -1.647 1.00 0.00 H new ATOM 755 N LYS A 48 -10.544 1.632 -6.085 1.00 0.00 N ATOM 756 CA LYS A 48 -11.345 0.816 -6.981 1.00 0.00 C ATOM 757 C LYS A 48 -10.689 -0.557 -7.137 1.00 0.00 C ATOM 758 O LYS A 48 -11.379 -1.571 -7.236 1.00 0.00 O ATOM 759 CB LYS A 48 -11.576 1.542 -8.307 1.00 0.00 C ATOM 760 CG LYS A 48 -12.297 0.638 -9.309 1.00 0.00 C ATOM 761 CD LYS A 48 -13.587 1.292 -9.808 1.00 0.00 C ATOM 762 CE LYS A 48 -13.960 0.777 -11.199 1.00 0.00 C ATOM 763 NZ LYS A 48 -15.272 1.319 -11.618 1.00 0.00 N ATOM 0 H LYS A 48 -9.960 2.327 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.337 0.650 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.165 2.443 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.620 1.861 -8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.641 0.429 -10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.528 -0.319 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.398 1.084 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.462 2.374 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.194 1.067 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.995 -0.312 -11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.510 0.959 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.003 1.021 -10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.226 2.358 -11.644 1.00 0.00 H new ATOM 776 N TRP A 49 -9.365 -0.546 -7.154 1.00 0.00 N ATOM 777 CA TRP A 49 -8.608 -1.777 -7.297 1.00 0.00 C ATOM 778 C TRP A 49 -8.798 -2.600 -6.022 1.00 0.00 C ATOM 779 O TRP A 49 -8.971 -3.817 -6.083 1.00 0.00 O ATOM 780 CB TRP A 49 -7.136 -1.485 -7.605 1.00 0.00 C ATOM 781 CG TRP A 49 -6.854 -1.215 -9.084 1.00 0.00 C ATOM 782 CD1 TRP A 49 -7.727 -0.879 -10.044 1.00 0.00 C ATOM 783 CD2 TRP A 49 -5.568 -1.272 -9.738 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.100 -0.718 -11.263 1.00 0.00 N ATOM 785 CE2 TRP A 49 -5.746 -0.964 -11.071 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.297 -1.577 -9.219 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -4.696 -0.928 -11.996 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.258 -1.536 -10.157 1.00 0.00 C ATOM 789 CH2 TRP A 49 -3.420 -1.228 -11.503 1.00 0.00 C ATOM 0 H TRP A 49 -8.797 0.297 -7.071 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.974 -2.357 -8.145 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.817 -0.622 -7.021 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.532 -2.331 -7.279 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.787 -0.750 -9.884 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.548 -0.465 -12.143 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.135 -1.823 -8.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.861 -0.682 -13.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.260 -1.760 -9.810 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.567 -1.220 -12.165 1.00 0.00 H new ATOM 800 N ALA A 50 -8.759 -1.903 -4.895 1.00 0.00 N ATOM 801 CA ALA A 50 -8.926 -2.556 -3.607 1.00 0.00 C ATOM 802 C ALA A 50 -10.328 -3.160 -3.523 1.00 0.00 C ATOM 803 O ALA A 50 -10.611 -3.960 -2.633 1.00 0.00 O ATOM 804 CB ALA A 50 -8.656 -1.549 -2.487 1.00 0.00 C ATOM 0 H ALA A 50 -8.614 -0.894 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.211 -3.370 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.781 -2.037 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.637 -1.172 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.358 -0.719 -2.567 1.00 0.00 H new ATOM 810 N GLN A 51 -11.170 -2.754 -4.462 1.00 0.00 N ATOM 811 CA GLN A 51 -12.537 -3.245 -4.505 1.00 0.00 C ATOM 812 C GLN A 51 -12.670 -4.352 -5.553 1.00 0.00 C ATOM 813 O GLN A 51 -13.631 -5.120 -5.532 1.00 0.00 O ATOM 814 CB GLN A 51 -13.520 -2.106 -4.784 1.00 0.00 C ATOM 815 CG GLN A 51 -13.693 -1.218 -3.550 1.00 0.00 C ATOM 816 CD GLN A 51 -15.144 -1.230 -3.064 1.00 0.00 C ATOM 817 OE1 GLN A 51 -15.947 -2.063 -3.449 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.433 -0.261 -2.200 1.00 0.00 N ATOM 0 H GLN A 51 -10.932 -2.090 -5.199 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.783 -3.663 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.160 -1.507 -5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.485 -2.518 -5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.036 -1.565 -2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.394 -0.197 -3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.712 0.404 -1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.375 -0.183 -1.818 1.00 0.00 H new ATOM 827 N ASP A 52 -11.691 -4.399 -6.445 1.00 0.00 N ATOM 828 CA ASP A 52 -11.687 -5.399 -7.500 1.00 0.00 C ATOM 829 C ASP A 52 -11.691 -6.795 -6.872 1.00 0.00 C ATOM 830 O ASP A 52 -10.811 -7.126 -6.080 1.00 0.00 O ATOM 831 CB ASP A 52 -10.434 -5.277 -8.370 1.00 0.00 C ATOM 832 CG ASP A 52 -10.186 -6.454 -9.315 1.00 0.00 C ATOM 833 OD1 ASP A 52 -9.040 -6.890 -9.503 1.00 0.00 O ATOM 834 OD2 ASP A 52 -11.243 -6.935 -9.877 1.00 0.00 O ATOM 0 H ASP A 52 -10.895 -3.761 -6.459 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.572 -5.242 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.508 -4.365 -8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.567 -5.165 -7.719 1.00 0.00 H new ATOM 840 N ALA A 53 -12.693 -7.575 -7.250 1.00 0.00 N ATOM 841 CA ALA A 53 -12.824 -8.928 -6.734 1.00 0.00 C ATOM 842 C ALA A 53 -11.529 -9.698 -7.002 1.00 0.00 C ATOM 843 O ALA A 53 -10.975 -10.320 -6.097 1.00 0.00 O ATOM 844 CB ALA A 53 -14.044 -9.599 -7.366 1.00 0.00 C ATOM 0 H ALA A 53 -13.422 -7.297 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.982 -8.915 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.142 -10.613 -6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.940 -9.029 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.920 -9.634 -8.448 1.00 0.00 H new ATOM 850 N LYS A 54 -11.087 -9.632 -8.249 1.00 0.00 N ATOM 851 CA LYS A 54 -9.868 -10.316 -8.647 1.00 0.00 C ATOM 852 C LYS A 54 -8.756 -9.988 -7.650 1.00 0.00 C ATOM 853 O LYS A 54 -8.034 -10.879 -7.204 1.00 0.00 O ATOM 854 CB LYS A 54 -9.514 -9.980 -10.097 1.00 0.00 C ATOM 855 CG LYS A 54 -10.376 -10.786 -11.073 1.00 0.00 C ATOM 856 CD LYS A 54 -9.572 -11.183 -12.314 1.00 0.00 C ATOM 857 CE LYS A 54 -8.805 -12.485 -12.077 1.00 0.00 C ATOM 858 NZ LYS A 54 -9.727 -13.641 -12.102 1.00 0.00 N ATOM 0 H LYS A 54 -11.551 -9.116 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.011 -11.396 -8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.659 -8.914 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.460 -10.192 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.753 -11.681 -10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.243 -10.197 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.244 -11.302 -13.164 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.873 -10.386 -12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.039 -12.607 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.292 -12.442 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.183 -14.516 -12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.239 -13.696 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.408 -13.525 -12.879 1.00 0.00 H new ATOM 871 N PHE A 55 -8.650 -8.707 -7.331 1.00 0.00 N ATOM 872 CA PHE A 55 -7.636 -8.249 -6.395 1.00 0.00 C ATOM 873 C PHE A 55 -8.036 -8.570 -4.954 1.00 0.00 C ATOM 874 O PHE A 55 -7.176 -8.748 -4.092 1.00 0.00 O ATOM 875 CB PHE A 55 -7.530 -6.731 -6.556 1.00 0.00 C ATOM 876 CG PHE A 55 -7.039 -6.285 -7.934 1.00 0.00 C ATOM 877 CD1 PHE A 55 -6.608 -7.208 -8.835 1.00 0.00 C ATOM 878 CD2 PHE A 55 -7.032 -4.964 -8.259 1.00 0.00 C ATOM 879 CE1 PHE A 55 -6.151 -6.794 -10.114 1.00 0.00 C ATOM 880 CE2 PHE A 55 -6.576 -4.549 -9.539 1.00 0.00 C ATOM 881 CZ PHE A 55 -6.144 -5.474 -10.438 1.00 0.00 C ATOM 0 H PHE A 55 -9.250 -7.971 -7.704 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.688 -8.747 -6.601 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.508 -6.287 -6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.852 -6.342 -5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.613 -8.257 -8.577 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.373 -4.230 -7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.809 -7.528 -10.829 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.572 -3.501 -9.798 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.795 -5.159 -11.410 1.00 0.00 H new ATOM 891 N SER A 56 -9.341 -8.636 -4.736 1.00 0.00 N ATOM 892 CA SER A 56 -9.866 -8.933 -3.414 1.00 0.00 C ATOM 893 C SER A 56 -9.110 -10.114 -2.804 1.00 0.00 C ATOM 894 O SER A 56 -8.810 -10.117 -1.611 1.00 0.00 O ATOM 895 CB SER A 56 -11.365 -9.234 -3.471 1.00 0.00 C ATOM 896 OG SER A 56 -11.946 -9.297 -2.171 1.00 0.00 O ATOM 0 H SER A 56 -10.051 -8.489 -5.453 1.00 0.00 H new ATOM 0 HA SER A 56 -9.723 -8.055 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.868 -8.464 -4.056 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.525 -10.181 -3.986 1.00 0.00 H new ATOM 0 HG SER A 56 -12.904 -9.489 -2.250 1.00 0.00 H new ATOM 902 N SER A 57 -8.823 -11.093 -3.651 1.00 0.00 N ATOM 903 CA SER A 57 -8.107 -12.279 -3.210 1.00 0.00 C ATOM 904 C SER A 57 -7.018 -11.890 -2.209 1.00 0.00 C ATOM 905 O SER A 57 -7.074 -12.281 -1.044 1.00 0.00 O ATOM 906 CB SER A 57 -7.495 -13.025 -4.398 1.00 0.00 C ATOM 907 OG SER A 57 -8.491 -13.499 -5.302 1.00 0.00 O ATOM 0 H SER A 57 -9.073 -11.089 -4.640 1.00 0.00 H new ATOM 0 HA SER A 57 -8.817 -12.947 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.810 -12.363 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.906 -13.867 -4.033 1.00 0.00 H new ATOM 0 HG SER A 57 -8.566 -12.882 -6.059 1.00 0.00 H new ATOM 913 N ALA A 58 -6.053 -11.128 -2.699 1.00 0.00 N ATOM 914 CA ALA A 58 -4.952 -10.683 -1.862 1.00 0.00 C ATOM 915 C ALA A 58 -5.336 -9.368 -1.178 1.00 0.00 C ATOM 916 O ALA A 58 -6.311 -8.726 -1.564 1.00 0.00 O ATOM 917 CB ALA A 58 -3.686 -10.551 -2.710 1.00 0.00 C ATOM 0 H ALA A 58 -6.010 -10.807 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.745 -11.414 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.860 -10.217 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.440 -11.518 -3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.854 -9.824 -3.504 1.00 0.00 H new ATOM 923 N ASN A 59 -4.548 -9.008 -0.176 1.00 0.00 N ATOM 924 CA ASN A 59 -4.795 -7.782 0.564 1.00 0.00 C ATOM 925 C ASN A 59 -4.068 -6.623 -0.122 1.00 0.00 C ATOM 926 O ASN A 59 -2.850 -6.662 -0.293 1.00 0.00 O ATOM 927 CB ASN A 59 -4.266 -7.888 1.998 1.00 0.00 C ATOM 928 CG ASN A 59 -4.570 -9.263 2.592 1.00 0.00 C ATOM 929 OD1 ASN A 59 -4.306 -10.297 1.999 1.00 0.00 O ATOM 930 ND2 ASN A 59 -5.135 -9.220 3.795 1.00 0.00 N ATOM 0 H ASN A 59 -3.739 -9.543 0.141 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.872 -7.613 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.190 -7.714 2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.720 -7.113 2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.374 -10.086 4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.329 -8.321 4.235 1.00 0.00 H new ATOM 937 N LEU A 60 -4.847 -5.618 -0.497 1.00 0.00 N ATOM 938 CA LEU A 60 -4.293 -4.451 -1.161 1.00 0.00 C ATOM 939 C LEU A 60 -4.430 -3.234 -0.243 1.00 0.00 C ATOM 940 O LEU A 60 -5.513 -2.963 0.275 1.00 0.00 O ATOM 941 CB LEU A 60 -4.939 -4.259 -2.536 1.00 0.00 C ATOM 942 CG LEU A 60 -4.263 -3.243 -3.458 1.00 0.00 C ATOM 943 CD1 LEU A 60 -5.004 -3.137 -4.793 1.00 0.00 C ATOM 944 CD2 LEU A 60 -4.129 -1.883 -2.768 1.00 0.00 C ATOM 0 H LEU A 60 -5.856 -5.588 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.229 -4.591 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.960 -5.223 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.975 -3.954 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.255 -3.596 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.503 -2.408 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.006 -4.109 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.031 -2.818 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.645 -1.178 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.118 -1.511 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.528 -1.991 -1.865 1.00 0.00 H new ATOM 956 N ILE A 61 -3.317 -2.535 -0.071 1.00 0.00 N ATOM 957 CA ILE A 61 -3.301 -1.355 0.776 1.00 0.00 C ATOM 958 C ILE A 61 -2.192 -0.411 0.305 1.00 0.00 C ATOM 959 O ILE A 61 -1.296 -0.819 -0.430 1.00 0.00 O ATOM 960 CB ILE A 61 -3.185 -1.752 2.249 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.792 -2.303 2.560 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.291 -2.735 2.640 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.132 -1.516 3.694 1.00 0.00 C ATOM 0 H ILE A 61 -2.422 -2.763 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.242 -0.812 0.690 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.320 -0.857 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.866 -3.354 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.169 -2.252 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.186 -3.001 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.264 -2.271 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.212 -3.634 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.143 -1.928 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.037 -0.470 3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.745 -1.589 4.592 1.00 0.00 H new ATOM 975 N THR A 62 -2.290 0.834 0.749 1.00 0.00 N ATOM 976 CA THR A 62 -1.307 1.838 0.383 1.00 0.00 C ATOM 977 C THR A 62 -0.496 2.265 1.608 1.00 0.00 C ATOM 978 O THR A 62 -0.939 2.086 2.741 1.00 0.00 O ATOM 979 CB THR A 62 -2.043 2.998 -0.292 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.586 3.743 0.795 1.00 0.00 O ATOM 981 CG2 THR A 62 -3.271 2.533 -1.076 1.00 0.00 C ATOM 0 H THR A 62 -3.036 1.169 1.359 1.00 0.00 H new ATOM 0 HA THR A 62 -0.581 1.438 -0.325 1.00 0.00 H new ATOM 0 HB THR A 62 -1.361 3.521 -0.962 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.411 3.314 1.106 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.757 3.394 -1.535 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.963 1.833 -1.853 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.969 2.040 -0.400 1.00 0.00 H new ATOM 989 N VAL A 63 0.677 2.819 1.340 1.00 0.00 N ATOM 990 CA VAL A 63 1.552 3.271 2.408 1.00 0.00 C ATOM 991 C VAL A 63 1.868 4.755 2.208 1.00 0.00 C ATOM 992 O VAL A 63 2.107 5.197 1.085 1.00 0.00 O ATOM 993 CB VAL A 63 2.806 2.395 2.462 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.872 3.021 3.365 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.464 0.976 2.918 1.00 0.00 C ATOM 0 H VAL A 63 1.042 2.965 0.399 1.00 0.00 H new ATOM 0 HA VAL A 63 1.059 3.171 3.375 1.00 0.00 H new ATOM 0 HB VAL A 63 3.216 2.332 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.753 2.379 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.147 4.002 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.476 3.128 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.373 0.374 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.019 1.011 3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.756 0.530 2.219 1.00 0.00 H new ATOM 1005 N ALA A 64 1.859 5.483 3.315 1.00 0.00 N ATOM 1006 CA ALA A 64 2.140 6.909 3.275 1.00 0.00 C ATOM 1007 C ALA A 64 3.118 7.261 4.398 1.00 0.00 C ATOM 1008 O ALA A 64 2.847 6.996 5.568 1.00 0.00 O ATOM 1009 CB ALA A 64 0.829 7.691 3.376 1.00 0.00 C ATOM 0 H ALA A 64 1.662 5.113 4.245 1.00 0.00 H new ATOM 0 HA ALA A 64 2.609 7.183 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.040 8.760 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.182 7.425 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.330 7.446 4.314 1.00 0.00 H new ATOM 1015 N SER A 65 4.234 7.856 4.003 1.00 0.00 N ATOM 1016 CA SER A 65 5.252 8.248 4.961 1.00 0.00 C ATOM 1017 C SER A 65 5.193 9.758 5.201 1.00 0.00 C ATOM 1018 O SER A 65 5.579 10.543 4.335 1.00 0.00 O ATOM 1019 CB SER A 65 6.648 7.841 4.481 1.00 0.00 C ATOM 1020 OG SER A 65 7.588 7.798 5.549 1.00 0.00 O ATOM 0 H SER A 65 4.455 8.076 3.032 1.00 0.00 H new ATOM 0 HA SER A 65 5.054 7.730 5.899 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.596 6.862 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.991 8.547 3.724 1.00 0.00 H new ATOM 0 HG SER A 65 8.498 7.832 5.186 1.00 0.00 H new ATOM 1026 N PRO A 66 4.693 10.130 6.409 1.00 0.00 N ATOM 1027 CA PRO A 66 4.578 11.532 6.772 1.00 0.00 C ATOM 1028 C PRO A 66 5.945 12.123 7.118 1.00 0.00 C ATOM 1029 O PRO A 66 6.742 11.491 7.810 1.00 0.00 O ATOM 1030 CB PRO A 66 3.607 11.555 7.942 1.00 0.00 C ATOM 1031 CG PRO A 66 3.577 10.138 8.489 1.00 0.00 C ATOM 1032 CD PRO A 66 4.226 9.227 7.458 1.00 0.00 C ATOM 0 HA PRO A 66 4.211 12.151 5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.933 12.261 8.706 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.615 11.870 7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.112 10.083 9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.551 9.825 8.683 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.052 8.663 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.514 8.500 7.067 1.00 0.00 H new ATOM 1040 N GLY A 67 6.176 13.329 6.619 1.00 0.00 N ATOM 1041 CA GLY A 67 7.435 14.013 6.866 1.00 0.00 C ATOM 1042 C GLY A 67 8.590 13.309 6.152 1.00 0.00 C ATOM 1043 O GLY A 67 9.755 13.618 6.398 1.00 0.00 O ATOM 0 H GLY A 67 5.513 13.850 6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.366 15.045 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.631 14.046 7.938 1.00 0.00 H new ATOM 1047 N PHE A 68 8.227 12.378 5.284 1.00 0.00 N ATOM 1048 CA PHE A 68 9.218 11.628 4.532 1.00 0.00 C ATOM 1049 C PHE A 68 8.925 11.681 3.031 1.00 0.00 C ATOM 1050 O PHE A 68 7.776 11.543 2.614 1.00 0.00 O ATOM 1051 CB PHE A 68 9.135 10.175 5.004 1.00 0.00 C ATOM 1052 CG PHE A 68 10.188 9.257 4.382 1.00 0.00 C ATOM 1053 CD1 PHE A 68 11.450 9.229 4.886 1.00 0.00 C ATOM 1054 CD2 PHE A 68 9.861 8.466 3.325 1.00 0.00 C ATOM 1055 CE1 PHE A 68 12.428 8.377 4.309 1.00 0.00 C ATOM 1056 CE2 PHE A 68 10.839 7.614 2.746 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.101 7.586 3.251 1.00 0.00 C ATOM 0 H PHE A 68 7.259 12.125 5.084 1.00 0.00 H new ATOM 0 HA PHE A 68 10.208 12.053 4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.241 10.150 6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.144 9.784 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.709 9.856 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.858 8.486 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.431 8.357 4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.580 6.988 1.905 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.844 6.936 2.813 1.00 0.00 H new ATOM 1067 N LEU A 69 9.984 11.883 2.260 1.00 0.00 N ATOM 1068 CA LEU A 69 9.855 11.956 0.815 1.00 0.00 C ATOM 1069 C LEU A 69 9.063 13.210 0.441 1.00 0.00 C ATOM 1070 O LEU A 69 8.137 13.147 -0.366 1.00 0.00 O ATOM 1071 CB LEU A 69 9.252 10.661 0.264 1.00 0.00 C ATOM 1072 CG LEU A 69 10.099 9.911 -0.765 1.00 0.00 C ATOM 1073 CD1 LEU A 69 10.440 10.810 -1.955 1.00 0.00 C ATOM 1074 CD2 LEU A 69 11.352 9.319 -0.116 1.00 0.00 C ATOM 0 H LEU A 69 10.935 11.998 2.609 1.00 0.00 H new ATOM 0 HA LEU A 69 10.836 12.047 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.055 9.991 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.289 10.896 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 69 9.511 9.078 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.043 10.252 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.520 11.142 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.001 11.677 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.937 8.791 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.953 10.121 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.060 8.623 0.670 1.00 0.00 H new ATOM 1086 N HIS A 70 9.456 14.321 1.046 1.00 0.00 N ATOM 1087 CA HIS A 70 8.796 15.589 0.787 1.00 0.00 C ATOM 1088 C HIS A 70 7.292 15.444 1.035 1.00 0.00 C ATOM 1089 O HIS A 70 6.490 16.169 0.447 1.00 0.00 O ATOM 1090 CB HIS A 70 9.118 16.093 -0.621 1.00 0.00 C ATOM 1091 CG HIS A 70 10.104 17.236 -0.655 1.00 0.00 C ATOM 1092 ND1 HIS A 70 10.982 17.437 -1.705 1.00 0.00 N ATOM 1093 CD2 HIS A 70 10.339 18.236 0.242 1.00 0.00 C ATOM 1094 CE1 HIS A 70 11.710 18.513 -1.440 1.00 0.00 C ATOM 1095 NE2 HIS A 70 11.310 19.006 -0.233 1.00 0.00 N ATOM 0 H HIS A 70 10.224 14.369 1.715 1.00 0.00 H new ATOM 0 HA HIS A 70 9.173 16.346 1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.516 15.266 -1.209 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.193 16.411 -1.102 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.823 18.377 1.180 1.00 0.00 H new ATOM 0 HE1 HIS A 70 12.484 18.927 -2.070 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.694 19.831 0.229 1.00 0.00 H new ATOM 1104 N GLU A 71 6.957 14.504 1.906 1.00 0.00 N ATOM 1105 CA GLU A 71 5.565 14.255 2.240 1.00 0.00 C ATOM 1106 C GLU A 71 5.126 15.158 3.394 1.00 0.00 C ATOM 1107 O GLU A 71 5.961 15.708 4.111 1.00 0.00 O ATOM 1108 CB GLU A 71 5.338 12.780 2.580 1.00 0.00 C ATOM 1109 CG GLU A 71 3.848 12.483 2.758 1.00 0.00 C ATOM 1110 CD GLU A 71 3.054 12.899 1.517 1.00 0.00 C ATOM 1111 OE1 GLU A 71 1.962 13.473 1.645 1.00 0.00 O ATOM 1112 OE2 GLU A 71 3.609 12.609 0.391 1.00 0.00 O ATOM 0 H GLU A 71 7.626 13.905 2.391 1.00 0.00 H new ATOM 0 HA GLU A 71 4.955 14.491 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.745 12.153 1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.875 12.527 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.705 11.419 2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.469 13.014 3.631 1.00 0.00 H new ATOM 1120 N LYS A 72 3.815 15.283 3.539 1.00 0.00 N ATOM 1121 CA LYS A 72 3.254 16.110 4.595 1.00 0.00 C ATOM 1122 C LYS A 72 3.506 15.441 5.948 1.00 0.00 C ATOM 1123 O LYS A 72 3.353 14.228 6.082 1.00 0.00 O ATOM 1124 CB LYS A 72 1.778 16.404 4.319 1.00 0.00 C ATOM 1125 CG LYS A 72 1.494 17.906 4.399 1.00 0.00 C ATOM 1126 CD LYS A 72 1.256 18.494 3.007 1.00 0.00 C ATOM 1127 CE LYS A 72 0.771 19.942 3.100 1.00 0.00 C ATOM 1128 NZ LYS A 72 1.692 20.844 2.371 1.00 0.00 N ATOM 0 H LYS A 72 3.125 14.826 2.943 1.00 0.00 H new ATOM 0 HA LYS A 72 3.748 17.081 4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.508 16.031 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.157 15.874 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.620 18.082 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.334 18.414 4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.178 18.452 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.518 17.893 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.233 20.023 2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.708 20.244 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.349 21.823 2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.643 20.779 2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.732 20.564 1.370 1.00 0.00 H new ATOM 1141 N LYS A 73 3.884 16.262 6.916 1.00 0.00 N ATOM 1142 CA LYS A 73 4.156 15.765 8.255 1.00 0.00 C ATOM 1143 C LYS A 73 2.881 15.152 8.836 1.00 0.00 C ATOM 1144 O LYS A 73 1.776 15.491 8.413 1.00 0.00 O ATOM 1145 CB LYS A 73 4.760 16.871 9.123 1.00 0.00 C ATOM 1146 CG LYS A 73 5.763 16.294 10.126 1.00 0.00 C ATOM 1147 CD LYS A 73 5.332 16.590 11.563 1.00 0.00 C ATOM 1148 CE LYS A 73 6.539 16.936 12.438 1.00 0.00 C ATOM 1149 NZ LYS A 73 6.683 15.952 13.535 1.00 0.00 N ATOM 0 H LYS A 73 4.009 17.268 6.801 1.00 0.00 H new ATOM 0 HA LYS A 73 4.904 14.972 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.256 17.606 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.966 17.394 9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.848 15.217 9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.750 16.718 9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.624 17.418 11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.815 15.724 11.977 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.444 16.948 11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.420 17.937 12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.507 16.201 14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.826 15.960 14.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.818 15.002 13.134 1.00 0.00 H new ATOM 1162 N ASP A 74 3.075 14.262 9.797 1.00 0.00 N ATOM 1163 CA ASP A 74 1.955 13.599 10.442 1.00 0.00 C ATOM 1164 C ASP A 74 0.938 14.650 10.894 1.00 0.00 C ATOM 1165 O ASP A 74 1.263 15.831 10.993 1.00 0.00 O ATOM 1166 CB ASP A 74 2.411 12.822 11.679 1.00 0.00 C ATOM 1167 CG ASP A 74 1.313 12.537 12.705 1.00 0.00 C ATOM 1168 OD1 ASP A 74 0.731 11.442 12.731 1.00 0.00 O ATOM 1169 OD2 ASP A 74 1.057 13.508 13.513 1.00 0.00 O ATOM 0 H ASP A 74 3.993 13.984 10.145 1.00 0.00 H new ATOM 0 HA ASP A 74 1.514 12.907 9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.840 11.874 11.356 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.208 13.382 12.168 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.274 14.180 11.153 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.341 15.064 11.591 1.00 0.00 C ATOM 1177 C GLY A 75 -1.940 15.829 10.409 1.00 0.00 C ATOM 1178 O GLY A 75 -3.154 15.833 10.219 1.00 0.00 O ATOM 0 H GLY A 75 -0.540 13.199 11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.120 14.483 12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.955 15.769 12.327 1.00 0.00 H new ATOM 1182 N ASP A 76 -1.058 16.458 9.645 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.484 17.225 8.487 1.00 0.00 C ATOM 1184 C ASP A 76 -2.011 16.269 7.414 1.00 0.00 C ATOM 1185 O ASP A 76 -3.111 16.459 6.895 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.317 18.011 7.887 1.00 0.00 C ATOM 1187 CG ASP A 76 -0.236 19.478 8.317 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -0.790 20.368 7.656 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.439 19.693 9.394 1.00 0.00 O ATOM 0 H ASP A 76 -0.051 16.452 9.806 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.259 17.920 8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.614 17.516 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.392 17.970 6.800 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.204 15.263 7.114 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.575 14.278 6.113 1.00 0.00 C ATOM 1197 C PHE A 77 -2.891 13.590 6.483 1.00 0.00 C ATOM 1198 O PHE A 77 -3.614 13.115 5.608 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.459 13.232 6.080 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.549 12.265 4.898 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -1.524 11.319 4.866 1.00 0.00 C ATOM 1202 CD2 PHE A 77 0.348 12.351 3.879 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -1.609 10.420 3.769 1.00 0.00 C ATOM 1204 CE2 PHE A 77 0.264 11.452 2.781 1.00 0.00 C ATOM 1205 CZ PHE A 77 -0.712 10.507 2.750 1.00 0.00 C ATOM 0 H PHE A 77 -0.293 15.108 7.547 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.708 14.762 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.503 13.743 6.046 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.484 12.660 7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.235 11.250 5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.124 13.102 3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.385 9.669 3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.976 11.520 1.972 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.776 9.824 1.916 1.00 0.00 H new ATOM 1215 N GLN A 78 -3.162 13.559 7.780 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.377 12.937 8.276 1.00 0.00 C ATOM 1217 C GLN A 78 -5.597 13.778 7.892 1.00 0.00 C ATOM 1218 O GLN A 78 -6.618 13.240 7.463 1.00 0.00 O ATOM 1219 CB GLN A 78 -4.309 12.728 9.789 1.00 0.00 C ATOM 1220 CG GLN A 78 -2.926 12.228 10.211 1.00 0.00 C ATOM 1221 CD GLN A 78 -2.945 11.714 11.653 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.174 12.134 12.499 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -3.866 10.783 11.882 1.00 0.00 N ATOM 0 H GLN A 78 -2.560 13.955 8.502 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.475 11.955 7.812 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.533 13.665 10.300 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.069 12.009 10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.604 11.431 9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.200 13.035 10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.480 10.477 11.127 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.959 10.375 12.812 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.452 15.084 8.063 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.530 16.004 7.741 1.00 0.00 C ATOM 1234 C LYS A 79 -6.687 16.087 6.221 1.00 0.00 C ATOM 1235 O LYS A 79 -7.774 16.372 5.720 1.00 0.00 O ATOM 1236 CB LYS A 79 -6.295 17.360 8.410 1.00 0.00 C ATOM 1237 CG LYS A 79 -7.410 17.680 9.407 1.00 0.00 C ATOM 1238 CD LYS A 79 -6.883 18.530 10.565 1.00 0.00 C ATOM 1239 CE LYS A 79 -7.979 19.445 11.117 1.00 0.00 C ATOM 1240 NZ LYS A 79 -7.999 20.730 10.382 1.00 0.00 N ATOM 0 H LYS A 79 -4.605 15.527 8.420 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.476 15.637 8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.334 17.354 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.246 18.141 7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.216 18.210 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.833 16.753 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.513 17.881 11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.040 19.131 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.949 18.954 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.808 19.628 12.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.748 21.339 10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.079 21.204 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.184 20.551 9.374 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.586 15.832 5.530 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.588 15.875 4.078 1.00 0.00 C ATOM 1255 C TRP A 80 -6.318 14.629 3.569 1.00 0.00 C ATOM 1256 O TRP A 80 -7.129 14.713 2.647 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.164 15.997 3.530 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.094 16.184 2.014 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -5.110 16.294 1.148 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -2.897 16.279 1.214 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -4.659 16.453 -0.146 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -3.269 16.443 -0.105 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -1.543 16.229 1.592 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -2.349 16.570 -1.152 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -0.635 16.357 0.535 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -0.994 16.523 -0.798 1.00 0.00 C ATOM 0 H TRP A 80 -4.687 15.595 5.949 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.115 16.759 3.720 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.671 16.841 4.013 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.603 15.102 3.802 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.153 16.262 1.428 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.238 16.558 -0.979 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.229 16.102 2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.666 16.697 -2.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 0.418 16.325 0.771 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.232 16.615 -1.557 1.00 0.00 H new ATOM 1383 N LYS A 88 -12.935 4.421 2.552 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.008 3.005 2.230 1.00 0.00 C ATOM 1385 C LYS A 88 -11.706 2.574 1.551 1.00 0.00 C ATOM 1386 O LYS A 88 -11.547 1.409 1.193 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.260 2.709 1.403 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.330 2.023 2.255 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.218 3.053 2.955 1.00 0.00 C ATOM 1390 CE LYS A 88 -16.457 2.668 4.417 1.00 0.00 C ATOM 1391 NZ LYS A 88 -16.085 3.783 5.316 1.00 0.00 N ATOM 0 HA LYS A 88 -13.106 2.411 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.657 3.637 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.000 2.072 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.943 1.378 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.853 1.384 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.749 4.036 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.173 3.129 2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.506 2.409 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.872 1.782 4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.254 3.504 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.078 4.011 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.661 4.619 5.089 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.809 3.537 1.397 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.526 3.271 0.769 1.00 0.00 C ATOM 1406 C LEU A 89 -8.483 2.984 1.850 1.00 0.00 C ATOM 1407 O LEU A 89 -8.386 3.716 2.833 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.141 4.416 -0.171 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.645 4.588 -0.439 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -7.197 3.721 -1.619 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.291 6.063 -0.644 1.00 0.00 C ATOM 0 H LEU A 89 -10.945 4.503 1.696 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.586 2.382 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.646 4.262 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.525 5.347 0.246 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.098 4.245 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.130 3.861 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.394 2.672 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.748 4.011 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.222 6.158 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.846 6.455 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.553 6.628 0.251 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.708 1.888 1.626 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.677 1.496 2.570 1.00 0.00 C ATOM 1425 C PRO A 90 -5.460 2.418 2.467 1.00 0.00 C ATOM 1426 O PRO A 90 -4.937 2.642 1.376 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.356 0.051 2.225 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.880 -0.166 0.814 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.797 0.997 0.473 1.00 0.00 C ATOM 0 HA PRO A 90 -7.002 1.582 3.607 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.283 -0.134 2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.831 -0.633 2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.054 -0.222 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.421 -1.110 0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.478 1.498 -0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.821 0.660 0.311 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.046 2.929 3.618 1.00 0.00 N ATOM 1438 CA VAL A 91 -3.902 3.822 3.671 1.00 0.00 C ATOM 1439 C VAL A 91 -3.208 3.676 5.026 1.00 0.00 C ATOM 1440 O VAL A 91 -3.814 3.925 6.068 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.344 5.259 3.378 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.162 6.225 3.467 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -5.030 5.354 2.013 1.00 0.00 C ATOM 0 H VAL A 91 -5.483 2.741 4.520 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.176 3.556 2.903 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.070 5.548 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.503 7.238 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.737 6.188 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.402 5.938 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.334 6.385 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.337 5.036 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.909 4.709 2.002 1.00 0.00 H new ATOM 1453 N VAL A 92 -1.948 3.271 4.969 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.164 3.088 6.179 1.00 0.00 C ATOM 1455 C VAL A 92 -0.158 4.232 6.309 1.00 0.00 C ATOM 1456 O VAL A 92 0.574 4.530 5.366 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.504 1.707 6.171 1.00 0.00 C ATOM 1458 CG1 VAL A 92 0.536 1.591 7.287 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.551 0.598 6.278 1.00 0.00 C ATOM 0 H VAL A 92 -1.450 3.064 4.103 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.807 3.121 7.059 1.00 0.00 H new ATOM 0 HB VAL A 92 0.012 1.587 5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.990 0.601 7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.307 2.348 7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.052 1.742 8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.055 -0.373 6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.109 0.713 7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.237 0.662 5.433 1.00 0.00 H new ATOM 1469 N THR A 93 -0.154 4.844 7.485 1.00 0.00 N ATOM 1470 CA THR A 93 0.751 5.949 7.750 1.00 0.00 C ATOM 1471 C THR A 93 1.845 5.520 8.730 1.00 0.00 C ATOM 1472 O THR A 93 1.568 5.259 9.900 1.00 0.00 O ATOM 1473 CB THR A 93 -0.081 7.132 8.249 1.00 0.00 C ATOM 1474 OG1 THR A 93 -1.090 6.531 9.056 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.862 7.814 7.124 1.00 0.00 C ATOM 0 H THR A 93 -0.763 4.595 8.264 1.00 0.00 H new ATOM 0 HA THR A 93 1.273 6.258 6.844 1.00 0.00 H new ATOM 0 HB THR A 93 0.574 7.859 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.674 7.228 9.422 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.435 8.646 7.532 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.166 8.186 6.372 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.542 7.096 6.665 1.00 0.00 H new ATOM 1483 N ASP A 94 3.065 5.459 8.215 1.00 0.00 N ATOM 1484 CA ASP A 94 4.201 5.066 9.031 1.00 0.00 C ATOM 1485 C ASP A 94 5.162 6.250 9.165 1.00 0.00 C ATOM 1486 O ASP A 94 5.804 6.644 8.193 1.00 0.00 O ATOM 1487 CB ASP A 94 4.966 3.907 8.388 1.00 0.00 C ATOM 1488 CG ASP A 94 6.160 3.393 9.195 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.601 4.034 10.160 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.645 2.268 8.792 1.00 0.00 O ATOM 0 H ASP A 94 3.291 5.675 7.244 1.00 0.00 H new ATOM 0 HA ASP A 94 3.824 4.754 10.005 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.274 3.081 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.319 4.225 7.407 1.00 0.00 H new ATOM 1496 N ASN A 95 5.228 6.784 10.375 1.00 0.00 N ATOM 1497 CA ASN A 95 6.099 7.914 10.649 1.00 0.00 C ATOM 1498 C ASN A 95 7.544 7.528 10.329 1.00 0.00 C ATOM 1499 O ASN A 95 8.107 6.637 10.962 1.00 0.00 O ATOM 1500 CB ASN A 95 6.032 8.317 12.122 1.00 0.00 C ATOM 1501 CG ASN A 95 6.986 9.477 12.418 1.00 0.00 C ATOM 1502 OD1 ASN A 95 7.960 9.707 11.720 1.00 0.00 O ATOM 1503 ND2 ASN A 95 6.653 10.192 13.488 1.00 0.00 N ATOM 0 H ASN A 95 4.692 6.455 11.178 1.00 0.00 H new ATOM 0 HA ASN A 95 5.770 8.750 10.032 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.013 8.606 12.378 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.288 7.462 12.748 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.226 10.988 13.768 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.824 9.945 14.029 1.00 0.00 H new ATOM 1510 N GLY A 96 8.104 8.218 9.345 1.00 0.00 N ATOM 1511 CA GLY A 96 9.473 7.959 8.933 1.00 0.00 C ATOM 1512 C GLY A 96 9.527 6.858 7.871 1.00 0.00 C ATOM 1513 O GLY A 96 10.500 6.758 7.125 1.00 0.00 O ATOM 0 H GLY A 96 7.634 8.956 8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.917 8.873 8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.067 7.664 9.798 1.00 0.00 H new ATOM 1517 N GLY A 97 8.469 6.061 7.836 1.00 0.00 N ATOM 1518 CA GLY A 97 8.384 4.974 6.877 1.00 0.00 C ATOM 1519 C GLY A 97 9.433 3.899 7.171 1.00 0.00 C ATOM 1520 O GLY A 97 10.371 3.716 6.398 1.00 0.00 O ATOM 0 H GLY A 97 7.664 6.147 8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.388 4.533 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.529 5.362 5.869 1.00 0.00 H new ATOM 1524 N THR A 98 9.237 3.218 8.292 1.00 0.00 N ATOM 1525 CA THR A 98 10.156 2.167 8.697 1.00 0.00 C ATOM 1526 C THR A 98 10.184 1.051 7.653 1.00 0.00 C ATOM 1527 O THR A 98 11.219 0.419 7.442 1.00 0.00 O ATOM 1528 CB THR A 98 9.737 1.687 10.088 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.328 2.633 10.976 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.394 0.357 10.470 1.00 0.00 C ATOM 0 H THR A 98 8.457 3.373 8.931 1.00 0.00 H new ATOM 0 HA THR A 98 11.180 2.537 8.758 1.00 0.00 H new ATOM 0 HB THR A 98 8.653 1.581 10.124 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.105 2.398 11.901 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.064 0.061 11.466 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.109 -0.410 9.750 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.478 0.472 10.467 1.00 0.00 H new ATOM 1538 N ILE A 99 9.036 0.843 7.022 1.00 0.00 N ATOM 1539 CA ILE A 99 8.917 -0.186 6.003 1.00 0.00 C ATOM 1540 C ILE A 99 9.526 0.324 4.695 1.00 0.00 C ATOM 1541 O ILE A 99 10.131 -0.442 3.948 1.00 0.00 O ATOM 1542 CB ILE A 99 7.463 -0.641 5.868 1.00 0.00 C ATOM 1543 CG1 ILE A 99 6.891 -1.055 7.226 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.332 -1.754 4.828 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.611 -0.277 7.542 1.00 0.00 C ATOM 0 H ILE A 99 8.181 1.370 7.197 1.00 0.00 H new ATOM 0 HA ILE A 99 9.479 -1.074 6.292 1.00 0.00 H new ATOM 0 HB ILE A 99 6.872 0.203 5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.680 -2.124 7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.631 -0.877 8.006 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.288 -2.059 4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.675 -1.390 3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.939 -2.608 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.225 -0.590 8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.831 0.790 7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.865 -0.477 6.773 1.00 0.00 H new ATOM 1557 N ALA A 100 9.345 1.616 4.460 1.00 0.00 N ATOM 1558 CA ALA A 100 9.868 2.238 3.256 1.00 0.00 C ATOM 1559 C ALA A 100 11.392 2.309 3.345 1.00 0.00 C ATOM 1560 O ALA A 100 12.093 1.876 2.432 1.00 0.00 O ATOM 1561 CB ALA A 100 9.228 3.616 3.074 1.00 0.00 C ATOM 0 H ALA A 100 8.843 2.249 5.083 1.00 0.00 H new ATOM 0 HA ALA A 100 9.617 1.644 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.620 4.083 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.147 3.506 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.460 4.242 3.936 1.00 0.00 H new ATOM 1567 N GLN A 101 11.863 2.861 4.455 1.00 0.00 N ATOM 1568 CA GLN A 101 13.293 2.995 4.675 1.00 0.00 C ATOM 1569 C GLN A 101 13.931 1.617 4.870 1.00 0.00 C ATOM 1570 O GLN A 101 15.107 1.425 4.560 1.00 0.00 O ATOM 1571 CB GLN A 101 13.580 3.905 5.870 1.00 0.00 C ATOM 1572 CG GLN A 101 13.551 3.116 7.181 1.00 0.00 C ATOM 1573 CD GLN A 101 13.685 4.049 8.387 1.00 0.00 C ATOM 1574 OE1 GLN A 101 12.713 4.454 9.001 1.00 0.00 O ATOM 1575 NE2 GLN A 101 14.942 4.366 8.688 1.00 0.00 N ATOM 0 H GLN A 101 11.280 3.220 5.211 1.00 0.00 H new ATOM 0 HA GLN A 101 13.735 3.458 3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 101 14.555 4.376 5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 101 12.842 4.706 5.907 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.618 2.556 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.362 2.387 7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 101 15.710 3.991 8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 101 15.138 4.984 9.476 1.00 0.00 H new ATOM 1584 N SER A 102 13.130 0.695 5.381 1.00 0.00 N ATOM 1585 CA SER A 102 13.601 -0.659 5.619 1.00 0.00 C ATOM 1586 C SER A 102 14.043 -1.298 4.302 1.00 0.00 C ATOM 1587 O SER A 102 15.044 -2.011 4.259 1.00 0.00 O ATOM 1588 CB SER A 102 12.520 -1.509 6.288 1.00 0.00 C ATOM 1589 OG SER A 102 12.694 -2.897 6.022 1.00 0.00 O ATOM 0 H SER A 102 12.156 0.859 5.637 1.00 0.00 H new ATOM 0 HA SER A 102 14.455 -0.611 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.541 -1.341 7.365 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.539 -1.192 5.935 1.00 0.00 H new ATOM 0 HG SER A 102 11.985 -3.407 6.467 1.00 0.00 H new ATOM 1595 N LEU A 103 13.273 -1.021 3.260 1.00 0.00 N ATOM 1596 CA LEU A 103 13.572 -1.562 1.944 1.00 0.00 C ATOM 1597 C LEU A 103 14.241 -0.481 1.093 1.00 0.00 C ATOM 1598 O LEU A 103 14.473 -0.678 -0.099 1.00 0.00 O ATOM 1599 CB LEU A 103 12.311 -2.153 1.309 1.00 0.00 C ATOM 1600 CG LEU A 103 11.982 -3.598 1.691 1.00 0.00 C ATOM 1601 CD1 LEU A 103 10.498 -3.899 1.469 1.00 0.00 C ATOM 1602 CD2 LEU A 103 12.884 -4.582 0.945 1.00 0.00 C ATOM 0 H LEU A 103 12.443 -0.429 3.300 1.00 0.00 H new ATOM 0 HA LEU A 103 14.279 -2.388 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.463 -1.524 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 103 12.414 -2.099 0.225 1.00 0.00 H new ATOM 0 HG LEU A 103 12.181 -3.723 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.291 -4.932 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.895 -3.229 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.250 -3.750 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 103 12.629 -5.601 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.741 -4.464 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.926 -4.383 1.197 1.00 0.00 H new ATOM 1614 N ASN A 104 14.531 0.640 1.738 1.00 0.00 N ATOM 1615 CA ASN A 104 15.167 1.753 1.055 1.00 0.00 C ATOM 1616 C ASN A 104 14.272 2.220 -0.095 1.00 0.00 C ATOM 1617 O ASN A 104 14.692 2.223 -1.251 1.00 0.00 O ATOM 1618 CB ASN A 104 16.517 1.338 0.465 1.00 0.00 C ATOM 1619 CG ASN A 104 17.231 2.534 -0.166 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.283 2.694 -1.374 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.777 3.366 0.718 1.00 0.00 N ATOM 0 H ASN A 104 14.337 0.801 2.726 1.00 0.00 H new ATOM 0 HA ASN A 104 15.320 2.551 1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.143 0.908 1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.367 0.562 -0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.275 4.196 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.697 3.174 1.716 1.00 0.00 H new ATOM 1628 N ILE A 105 13.056 2.604 0.263 1.00 0.00 N ATOM 1629 CA ILE A 105 12.098 3.072 -0.724 1.00 0.00 C ATOM 1630 C ILE A 105 12.253 4.584 -0.901 1.00 0.00 C ATOM 1631 O ILE A 105 11.991 5.351 0.023 1.00 0.00 O ATOM 1632 CB ILE A 105 10.682 2.639 -0.344 1.00 0.00 C ATOM 1633 CG1 ILE A 105 10.398 1.212 -0.819 1.00 0.00 C ATOM 1634 CG2 ILE A 105 9.644 3.633 -0.870 1.00 0.00 C ATOM 1635 CD1 ILE A 105 11.291 0.204 -0.092 1.00 0.00 C ATOM 0 H ILE A 105 12.712 2.601 1.223 1.00 0.00 H new ATOM 0 HA ILE A 105 12.296 2.615 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 105 10.607 2.639 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 105 9.350 0.968 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 105 10.565 1.143 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 105 8.645 3.301 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 105 9.834 4.618 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 105 9.712 3.689 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 105 11.069 -0.802 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 105 12.337 0.436 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 105 11.104 0.259 0.980 1.00 0.00 H new ATOM 1647 N SER A 106 12.678 4.967 -2.097 1.00 0.00 N ATOM 1648 CA SER A 106 12.871 6.374 -2.407 1.00 0.00 C ATOM 1649 C SER A 106 12.363 6.671 -3.820 1.00 0.00 C ATOM 1650 O SER A 106 12.818 7.620 -4.458 1.00 0.00 O ATOM 1651 CB SER A 106 14.342 6.770 -2.277 1.00 0.00 C ATOM 1652 OG SER A 106 15.190 5.943 -3.068 1.00 0.00 O ATOM 0 H SER A 106 12.894 4.328 -2.862 1.00 0.00 H new ATOM 0 HA SER A 106 12.300 6.965 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.465 7.810 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.644 6.704 -1.232 1.00 0.00 H new ATOM 0 HG SER A 106 16.121 6.229 -2.959 1.00 0.00 H new ATOM 1658 N VAL A 107 11.429 5.845 -4.265 1.00 0.00 N ATOM 1659 CA VAL A 107 10.855 6.008 -5.590 1.00 0.00 C ATOM 1660 C VAL A 107 9.384 5.590 -5.559 1.00 0.00 C ATOM 1661 O VAL A 107 9.044 4.536 -5.025 1.00 0.00 O ATOM 1662 CB VAL A 107 11.677 5.226 -6.617 1.00 0.00 C ATOM 1663 CG1 VAL A 107 12.072 3.852 -6.071 1.00 0.00 C ATOM 1664 CG2 VAL A 107 10.920 5.092 -7.940 1.00 0.00 C ATOM 0 H VAL A 107 11.055 5.060 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 107 10.890 7.054 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 107 12.592 5.787 -6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.655 3.317 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.669 3.977 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.173 3.282 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.527 4.532 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.981 4.565 -7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.712 6.083 -8.342 1.00 0.00 H new ATOM 1674 N TYR A 108 8.548 6.440 -6.138 1.00 0.00 N ATOM 1675 CA TYR A 108 7.121 6.173 -6.184 1.00 0.00 C ATOM 1676 C TYR A 108 6.581 6.319 -7.608 1.00 0.00 C ATOM 1677 O TYR A 108 7.136 7.064 -8.414 1.00 0.00 O ATOM 1678 CB TYR A 108 6.466 7.228 -5.292 1.00 0.00 C ATOM 1679 CG TYR A 108 6.691 7.006 -3.795 1.00 0.00 C ATOM 1680 CD1 TYR A 108 6.979 5.741 -3.322 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.609 8.068 -2.919 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.192 5.531 -1.913 1.00 0.00 C ATOM 1683 CE2 TYR A 108 6.821 7.858 -1.511 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.103 6.600 -1.076 1.00 0.00 C ATOM 1685 OH TYR A 108 7.304 6.401 0.253 1.00 0.00 O ATOM 0 H TYR A 108 8.832 7.314 -6.579 1.00 0.00 H new ATOM 0 HA TYR A 108 6.910 5.156 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.852 8.210 -5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.394 7.241 -5.490 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.045 4.910 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.386 9.058 -3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.417 4.547 -1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 108 6.758 8.681 -0.815 1.00 0.00 H new ATOM 0 HH TYR A 108 7.211 7.252 0.729 1.00 0.00 H new ATOM 1695 N PRO A 109 5.474 5.578 -7.883 1.00 0.00 N ATOM 1696 CA PRO A 109 4.877 4.722 -6.871 1.00 0.00 C ATOM 1697 C PRO A 109 5.714 3.458 -6.660 1.00 0.00 C ATOM 1698 O PRO A 109 6.637 3.184 -7.427 1.00 0.00 O ATOM 1699 CB PRO A 109 3.476 4.428 -7.381 1.00 0.00 C ATOM 1700 CG PRO A 109 3.499 4.744 -8.869 1.00 0.00 C ATOM 1701 CD PRO A 109 4.764 5.535 -9.157 1.00 0.00 C ATOM 0 HA PRO A 109 4.838 5.195 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.208 3.386 -7.207 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.736 5.038 -6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.482 3.825 -9.455 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.617 5.319 -9.151 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.365 5.054 -9.929 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.531 6.538 -9.514 1.00 0.00 H new ATOM 1709 N SER A 110 5.362 2.722 -5.616 1.00 0.00 N ATOM 1710 CA SER A 110 6.068 1.494 -5.294 1.00 0.00 C ATOM 1711 C SER A 110 5.069 0.397 -4.921 1.00 0.00 C ATOM 1712 O SER A 110 3.912 0.685 -4.616 1.00 0.00 O ATOM 1713 CB SER A 110 7.066 1.714 -4.155 1.00 0.00 C ATOM 1714 OG SER A 110 8.340 1.146 -4.443 1.00 0.00 O ATOM 0 H SER A 110 4.597 2.953 -4.982 1.00 0.00 H new ATOM 0 HA SER A 110 6.628 1.181 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.179 2.783 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.672 1.275 -3.238 1.00 0.00 H new ATOM 0 HG SER A 110 8.220 0.303 -4.928 1.00 0.00 H new ATOM 1720 N TRP A 111 5.551 -0.836 -4.958 1.00 0.00 N ATOM 1721 CA TRP A 111 4.713 -1.977 -4.627 1.00 0.00 C ATOM 1722 C TRP A 111 5.574 -2.988 -3.865 1.00 0.00 C ATOM 1723 O TRP A 111 6.751 -3.166 -4.175 1.00 0.00 O ATOM 1724 CB TRP A 111 4.068 -2.565 -5.883 1.00 0.00 C ATOM 1725 CG TRP A 111 2.950 -1.703 -6.470 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.065 -0.663 -7.307 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.535 -1.848 -6.230 1.00 0.00 C ATOM 1728 NE1 TRP A 111 1.831 -0.130 -7.623 1.00 0.00 N ATOM 1729 CE2 TRP A 111 0.871 -0.874 -6.947 1.00 0.00 C ATOM 1730 CE3 TRP A 111 0.838 -2.774 -5.432 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.521 -0.730 -6.938 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.553 -2.616 -5.434 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -1.236 -1.640 -6.151 1.00 0.00 C ATOM 0 H TRP A 111 6.511 -1.071 -5.212 1.00 0.00 H new ATOM 0 HA TRP A 111 3.882 -1.676 -3.989 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.838 -2.709 -6.641 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.667 -3.550 -5.646 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.004 -0.289 -7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 111 1.656 0.664 -8.239 1.00 0.00 H new ATOM 0 HE3 TRP A 111 1.336 -3.545 -4.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.017 0.042 -7.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.137 -3.301 -4.836 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -2.313 -1.584 -6.101 1.00 0.00 H new ATOM 1744 N ALA A 112 4.952 -3.625 -2.884 1.00 0.00 N ATOM 1745 CA ALA A 112 5.645 -4.614 -2.077 1.00 0.00 C ATOM 1746 C ALA A 112 4.743 -5.836 -1.889 1.00 0.00 C ATOM 1747 O ALA A 112 3.555 -5.697 -1.603 1.00 0.00 O ATOM 1748 CB ALA A 112 6.060 -3.986 -0.746 1.00 0.00 C ATOM 0 H ALA A 112 3.976 -3.475 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 112 6.554 -4.949 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.580 -4.728 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.723 -3.141 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.173 -3.641 -0.215 1.00 0.00 H new ATOM 1754 N LEU A 113 5.342 -7.006 -2.056 1.00 0.00 N ATOM 1755 CA LEU A 113 4.608 -8.250 -1.907 1.00 0.00 C ATOM 1756 C LEU A 113 5.049 -8.948 -0.620 1.00 0.00 C ATOM 1757 O LEU A 113 6.242 -9.059 -0.348 1.00 0.00 O ATOM 1758 CB LEU A 113 4.762 -9.116 -3.160 1.00 0.00 C ATOM 1759 CG LEU A 113 4.168 -10.523 -3.080 1.00 0.00 C ATOM 1760 CD1 LEU A 113 2.638 -10.473 -3.080 1.00 0.00 C ATOM 1761 CD2 LEU A 113 4.711 -11.413 -4.200 1.00 0.00 C ATOM 0 H LEU A 113 6.328 -7.118 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 113 3.540 -8.052 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.298 -8.594 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.824 -9.204 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 113 4.477 -10.970 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.241 -11.486 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.293 -9.899 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.289 -9.998 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.272 -12.408 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.453 -10.980 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.795 -11.487 -4.113 1.00 0.00 H new ATOM 1773 N ILE A 114 4.060 -9.400 0.139 1.00 0.00 N ATOM 1774 CA ILE A 114 4.332 -10.084 1.392 1.00 0.00 C ATOM 1775 C ILE A 114 3.749 -11.497 1.334 1.00 0.00 C ATOM 1776 O ILE A 114 2.533 -11.667 1.245 1.00 0.00 O ATOM 1777 CB ILE A 114 3.824 -9.257 2.575 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.524 -7.897 2.634 1.00 0.00 C ATOM 1779 CG2 ILE A 114 3.963 -10.032 3.886 1.00 0.00 C ATOM 1780 CD1 ILE A 114 5.977 -8.050 3.091 1.00 0.00 C ATOM 0 H ILE A 114 3.070 -9.306 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 114 5.406 -10.188 1.544 1.00 0.00 H new ATOM 0 HB ILE A 114 2.761 -9.065 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.495 -7.426 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 114 3.990 -7.238 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.595 -9.421 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.382 -10.952 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.012 -10.276 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.453 -7.070 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.001 -8.499 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.513 -8.690 2.390 1.00 0.00 H new ATOM 1792 N GLY A 115 4.641 -12.473 1.386 1.00 0.00 N ATOM 1793 CA GLY A 115 4.230 -13.867 1.341 1.00 0.00 C ATOM 1794 C GLY A 115 3.036 -14.116 2.264 1.00 0.00 C ATOM 1795 O GLY A 115 2.661 -13.247 3.050 1.00 0.00 O ATOM 0 H GLY A 115 5.648 -12.328 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.967 -14.140 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.063 -14.505 1.637 1.00 0.00 H new ATOM 1799 N LYS A 116 2.471 -15.308 2.140 1.00 0.00 N ATOM 1800 CA LYS A 116 1.328 -15.684 2.954 1.00 0.00 C ATOM 1801 C LYS A 116 1.779 -15.873 4.404 1.00 0.00 C ATOM 1802 O LYS A 116 0.950 -15.991 5.305 1.00 0.00 O ATOM 1803 CB LYS A 116 0.629 -16.909 2.363 1.00 0.00 C ATOM 1804 CG LYS A 116 1.599 -18.086 2.235 1.00 0.00 C ATOM 1805 CD LYS A 116 0.886 -19.415 2.495 1.00 0.00 C ATOM 1806 CE LYS A 116 1.141 -19.904 3.922 1.00 0.00 C ATOM 1807 NZ LYS A 116 0.835 -21.347 4.037 1.00 0.00 N ATOM 0 H LYS A 116 2.784 -16.027 1.487 1.00 0.00 H new ATOM 0 HA LYS A 116 0.582 -14.889 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.212 -17.193 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.221 -16.662 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.038 -18.094 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.419 -17.965 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.185 -19.295 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 116 1.233 -20.164 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.181 -19.724 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 116 0.526 -19.339 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.013 -21.663 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.164 -21.510 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.440 -21.883 3.383 1.00 0.00 H new ATOM 1820 N ASP A 117 3.091 -15.894 4.584 1.00 0.00 N ATOM 1821 CA ASP A 117 3.661 -16.066 5.908 1.00 0.00 C ATOM 1822 C ASP A 117 3.874 -14.694 6.550 1.00 0.00 C ATOM 1823 O ASP A 117 3.915 -14.576 7.774 1.00 0.00 O ATOM 1824 CB ASP A 117 5.019 -16.770 5.836 1.00 0.00 C ATOM 1825 CG ASP A 117 5.058 -18.164 6.464 1.00 0.00 C ATOM 1826 OD1 ASP A 117 5.473 -19.141 5.824 1.00 0.00 O ATOM 1827 OD2 ASP A 117 4.635 -18.227 7.681 1.00 0.00 O ATOM 0 H ASP A 117 3.776 -15.795 3.834 1.00 0.00 H new ATOM 0 HA ASP A 117 2.971 -16.671 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.315 -16.851 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.762 -16.144 6.330 1.00 0.00 H new ATOM 1833 N GLY A 118 4.004 -13.689 5.696 1.00 0.00 N ATOM 1834 CA GLY A 118 4.210 -12.330 6.164 1.00 0.00 C ATOM 1835 C GLY A 118 5.668 -11.901 5.975 1.00 0.00 C ATOM 1836 O GLY A 118 6.132 -10.967 6.627 1.00 0.00 O ATOM 0 H GLY A 118 3.970 -13.790 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.554 -11.651 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.940 -12.259 7.218 1.00 0.00 H new ATOM 1840 N ASP A 119 6.347 -12.605 5.081 1.00 0.00 N ATOM 1841 CA ASP A 119 7.741 -12.308 4.799 1.00 0.00 C ATOM 1842 C ASP A 119 7.851 -11.661 3.417 1.00 0.00 C ATOM 1843 O ASP A 119 7.052 -11.951 2.527 1.00 0.00 O ATOM 1844 CB ASP A 119 8.585 -13.585 4.793 1.00 0.00 C ATOM 1845 CG ASP A 119 8.485 -14.419 3.515 1.00 0.00 C ATOM 1846 OD1 ASP A 119 7.488 -15.120 3.287 1.00 0.00 O ATOM 1847 OD2 ASP A 119 9.501 -14.329 2.724 1.00 0.00 O ATOM 0 H ASP A 119 5.958 -13.379 4.543 1.00 0.00 H new ATOM 0 HA ASP A 119 8.107 -11.637 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.629 -13.314 4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.285 -14.205 5.638 1.00 0.00 H new ATOM 1853 N VAL A 120 8.847 -10.799 3.280 1.00 0.00 N ATOM 1854 CA VAL A 120 9.072 -10.110 2.021 1.00 0.00 C ATOM 1855 C VAL A 120 9.190 -11.138 0.895 1.00 0.00 C ATOM 1856 O VAL A 120 10.160 -11.893 0.838 1.00 0.00 O ATOM 1857 CB VAL A 120 10.298 -9.202 2.134 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.674 -8.616 0.770 1.00 0.00 C ATOM 1859 CG2 VAL A 120 10.067 -8.092 3.160 1.00 0.00 C ATOM 0 H VAL A 120 9.508 -10.562 4.020 1.00 0.00 H new ATOM 0 HA VAL A 120 8.227 -9.464 1.783 1.00 0.00 H new ATOM 0 HB VAL A 120 11.133 -9.810 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.548 -7.974 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.901 -9.426 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.840 -8.030 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.954 -7.462 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.212 -7.488 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.870 -8.534 4.136 1.00 0.00 H new ATOM 1869 N GLN A 121 8.190 -11.134 0.025 1.00 0.00 N ATOM 1870 CA GLN A 121 8.170 -12.059 -1.095 1.00 0.00 C ATOM 1871 C GLN A 121 8.881 -11.443 -2.303 1.00 0.00 C ATOM 1872 O GLN A 121 9.809 -12.035 -2.851 1.00 0.00 O ATOM 1873 CB GLN A 121 6.738 -12.461 -1.449 1.00 0.00 C ATOM 1874 CG GLN A 121 6.696 -13.868 -2.051 1.00 0.00 C ATOM 1875 CD GLN A 121 6.637 -14.931 -0.953 1.00 0.00 C ATOM 1876 OE1 GLN A 121 7.585 -15.159 -0.221 1.00 0.00 O ATOM 1877 NE2 GLN A 121 5.472 -15.570 -0.882 1.00 0.00 N ATOM 0 H GLN A 121 7.388 -10.505 0.073 1.00 0.00 H new ATOM 0 HA GLN A 121 8.704 -12.963 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.115 -12.425 -0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.320 -11.746 -2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 121 5.827 -13.963 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 121 7.578 -14.029 -2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 121 4.718 -15.330 -1.526 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.332 -16.300 -0.183 1.00 0.00 H new ATOM 1886 N ARG A 122 8.416 -10.262 -2.683 1.00 0.00 N ATOM 1887 CA ARG A 122 8.995 -9.560 -3.817 1.00 0.00 C ATOM 1888 C ARG A 122 8.772 -8.053 -3.677 1.00 0.00 C ATOM 1889 O ARG A 122 7.816 -7.620 -3.035 1.00 0.00 O ATOM 1890 CB ARG A 122 8.382 -10.040 -5.134 1.00 0.00 C ATOM 1891 CG ARG A 122 9.293 -9.702 -6.316 1.00 0.00 C ATOM 1892 CD ARG A 122 9.663 -10.963 -7.100 1.00 0.00 C ATOM 1893 NE ARG A 122 10.762 -11.680 -6.418 1.00 0.00 N ATOM 1894 CZ ARG A 122 11.309 -12.831 -6.864 1.00 0.00 C ATOM 1895 NH1 ARG A 122 10.862 -13.405 -8.000 1.00 0.00 N ATOM 1896 NH2 ARG A 122 12.287 -13.386 -6.174 1.00 0.00 N ATOM 0 H ARG A 122 7.646 -9.773 -2.227 1.00 0.00 H new ATOM 0 HA ARG A 122 10.064 -9.773 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.218 -11.117 -5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.407 -9.575 -5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.792 -8.993 -6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.199 -9.215 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.793 -11.614 -7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.966 -10.696 -8.112 1.00 0.00 H new ATOM 0 HE ARG A 122 11.130 -11.279 -5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 122 10.106 -12.969 -8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 122 11.280 -14.275 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 122 12.620 -12.946 -5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 122 12.710 -14.256 -6.498 1.00 0.00 H new ATOM 1909 N ILE A 123 9.667 -7.294 -4.291 1.00 0.00 N ATOM 1910 CA ILE A 123 9.580 -5.845 -4.244 1.00 0.00 C ATOM 1911 C ILE A 123 9.509 -5.297 -5.670 1.00 0.00 C ATOM 1912 O ILE A 123 10.268 -5.720 -6.540 1.00 0.00 O ATOM 1913 CB ILE A 123 10.731 -5.265 -3.418 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.544 -3.763 -3.197 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.083 -5.586 -4.059 1.00 0.00 C ATOM 1916 CD1 ILE A 123 11.290 -3.297 -1.945 1.00 0.00 C ATOM 0 H ILE A 123 10.457 -7.656 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 123 8.667 -5.534 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 123 10.720 -5.739 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 123 10.908 -3.216 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.483 -3.535 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 123 12.883 -5.162 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.208 -6.667 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.122 -5.158 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 123 11.141 -2.226 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 123 10.907 -3.829 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 123 12.354 -3.504 -2.057 1.00 0.00 H new ATOM 1928 N VAL A 124 8.592 -4.360 -5.864 1.00 0.00 N ATOM 1929 CA VAL A 124 8.413 -3.748 -7.170 1.00 0.00 C ATOM 1930 C VAL A 124 8.515 -2.227 -7.034 1.00 0.00 C ATOM 1931 O VAL A 124 7.945 -1.643 -6.114 1.00 0.00 O ATOM 1932 CB VAL A 124 7.089 -4.206 -7.786 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.759 -3.398 -9.043 1.00 0.00 C ATOM 1934 CG2 VAL A 124 7.115 -5.705 -8.087 1.00 0.00 C ATOM 0 H VAL A 124 7.966 -4.010 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 124 9.201 -4.067 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 124 6.300 -4.025 -7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.813 -3.744 -9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.677 -2.342 -8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.551 -3.532 -9.780 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.163 -6.005 -8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.920 -5.921 -8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.281 -6.259 -7.163 1.00 0.00 H new ATOM 1944 N LYS A 125 9.244 -1.629 -7.965 1.00 0.00 N ATOM 1945 CA LYS A 125 9.427 -0.188 -7.961 1.00 0.00 C ATOM 1946 C LYS A 125 8.849 0.399 -9.250 1.00 0.00 C ATOM 1947 O LYS A 125 9.316 0.083 -10.345 1.00 0.00 O ATOM 1948 CB LYS A 125 10.897 0.164 -7.729 1.00 0.00 C ATOM 1949 CG LYS A 125 11.795 -0.523 -8.760 1.00 0.00 C ATOM 1950 CD LYS A 125 12.641 -1.618 -8.107 1.00 0.00 C ATOM 1951 CE LYS A 125 13.968 -1.054 -7.596 1.00 0.00 C ATOM 1952 NZ LYS A 125 14.726 -2.093 -6.863 1.00 0.00 N ATOM 0 H LYS A 125 9.715 -2.117 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 125 8.881 0.263 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.030 1.244 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.193 -0.139 -6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 125 11.182 -0.955 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 125 12.447 0.214 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.089 -2.064 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.833 -2.413 -8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.560 -0.687 -8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.780 -0.203 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.624 -1.693 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.166 -2.424 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.922 -2.893 -7.498 1.00 0.00 H new ATOM 1965 N GLY A 126 7.842 1.243 -9.079 1.00 0.00 N ATOM 1966 CA GLY A 126 7.195 1.877 -10.216 1.00 0.00 C ATOM 1967 C GLY A 126 5.676 1.724 -10.137 1.00 0.00 C ATOM 1968 O GLY A 126 5.106 1.697 -9.047 1.00 0.00 O ATOM 0 H GLY A 126 7.458 1.503 -8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.457 2.935 -10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.561 1.433 -11.142 1.00 0.00 H new ATOM 1972 N SER A 127 5.061 1.629 -11.308 1.00 0.00 N ATOM 1973 CA SER A 127 3.619 1.479 -11.385 1.00 0.00 C ATOM 1974 C SER A 127 3.265 0.225 -12.188 1.00 0.00 C ATOM 1975 O SER A 127 3.919 -0.085 -13.182 1.00 0.00 O ATOM 1976 CB SER A 127 2.969 2.714 -12.016 1.00 0.00 C ATOM 1977 OG SER A 127 3.651 3.913 -11.661 1.00 0.00 O ATOM 0 H SER A 127 5.536 1.653 -12.210 1.00 0.00 H new ATOM 0 HA SER A 127 3.232 1.375 -10.371 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.963 2.607 -13.101 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.929 2.780 -11.697 1.00 0.00 H new ATOM 0 HG SER A 127 3.208 4.678 -12.084 1.00 0.00 H new ATOM 1983 N ILE A 128 2.229 -0.462 -11.727 1.00 0.00 N ATOM 1984 CA ILE A 128 1.781 -1.673 -12.390 1.00 0.00 C ATOM 1985 C ILE A 128 0.364 -1.462 -12.927 1.00 0.00 C ATOM 1986 O ILE A 128 -0.313 -0.509 -12.545 1.00 0.00 O ATOM 1987 CB ILE A 128 1.909 -2.877 -11.452 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.132 -2.646 -10.153 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.379 -3.211 -11.188 1.00 0.00 C ATOM 1990 CD1 ILE A 128 0.794 -3.974 -9.475 1.00 0.00 C ATOM 0 H ILE A 128 1.688 -0.202 -10.902 1.00 0.00 H new ATOM 0 HA ILE A 128 2.418 -1.895 -13.246 1.00 0.00 H new ATOM 0 HB ILE A 128 1.464 -3.742 -11.944 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.722 -2.028 -9.477 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.214 -2.098 -10.366 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.443 -4.069 -10.519 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.873 -3.448 -12.130 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.870 -2.354 -10.726 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.242 -3.783 -8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.183 -4.579 -10.145 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.715 -4.508 -9.241 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.044 -2.368 -13.803 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.369 -2.292 -14.396 1.00 0.00 C ATOM 2004 C ASN A 129 -2.255 -3.383 -13.794 1.00 0.00 C ATOM 2005 O ASN A 129 -1.771 -4.254 -13.070 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.309 -2.513 -15.908 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.291 -3.598 -16.265 1.00 0.00 C ATOM 2008 OD1 ASN A 129 0.877 -3.530 -15.916 1.00 0.00 O ATOM 2009 ND2 ASN A 129 -0.797 -4.604 -16.974 1.00 0.00 N ATOM 0 H ASN A 129 0.519 -3.159 -14.117 1.00 0.00 H new ATOM 0 HA ASN A 129 -1.773 -1.300 -14.192 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.294 -2.799 -16.276 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.041 -1.581 -16.405 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -0.198 -5.380 -17.258 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -1.783 -4.600 -17.233 1.00 0.00 H new ATOM 2016 N GLU A 130 -3.538 -3.303 -14.114 1.00 0.00 N ATOM 2017 CA GLU A 130 -4.497 -4.274 -13.614 1.00 0.00 C ATOM 2018 C GLU A 130 -4.113 -5.682 -14.067 1.00 0.00 C ATOM 2019 O GLU A 130 -4.323 -6.652 -13.341 1.00 0.00 O ATOM 2020 CB GLU A 130 -5.918 -3.921 -14.062 1.00 0.00 C ATOM 2021 CG GLU A 130 -6.912 -5.000 -13.627 1.00 0.00 C ATOM 2022 CD GLU A 130 -7.811 -5.418 -14.792 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -7.310 -5.708 -15.889 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.074 -5.435 -14.528 1.00 0.00 O ATOM 0 H GLU A 130 -3.936 -2.580 -14.714 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.477 -4.247 -12.525 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.209 -2.960 -13.637 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.945 -3.812 -15.146 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.371 -5.868 -13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.524 -4.626 -12.806 1.00 0.00 H new ATOM 2032 N ALA A 131 -3.555 -5.751 -15.267 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.138 -7.026 -15.828 1.00 0.00 C ATOM 2034 C ALA A 131 -2.018 -7.614 -14.968 1.00 0.00 C ATOM 2035 O ALA A 131 -2.093 -8.767 -14.546 1.00 0.00 O ATOM 2036 CB ALA A 131 -2.715 -6.830 -17.284 1.00 0.00 C ATOM 0 H ALA A 131 -3.382 -4.944 -15.867 1.00 0.00 H new ATOM 0 HA ALA A 131 -3.965 -7.736 -15.823 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.403 -7.786 -17.704 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.555 -6.439 -17.858 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -1.885 -6.125 -17.330 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.002 -6.793 -14.735 1.00 0.00 N ATOM 2043 CA GLN A 132 0.134 -7.218 -13.935 1.00 0.00 C ATOM 2044 C GLN A 132 -0.345 -7.817 -12.610 1.00 0.00 C ATOM 2045 O GLN A 132 0.129 -8.874 -12.195 1.00 0.00 O ATOM 2046 CB GLN A 132 1.099 -6.056 -13.693 1.00 0.00 C ATOM 2047 CG GLN A 132 2.173 -6.001 -14.781 1.00 0.00 C ATOM 2048 CD GLN A 132 3.155 -4.855 -14.527 1.00 0.00 C ATOM 2049 OE1 GLN A 132 2.778 -3.705 -14.364 1.00 0.00 O ATOM 2050 NE2 GLN A 132 4.430 -5.231 -14.500 1.00 0.00 N ATOM 0 H GLN A 132 -0.943 -5.837 -15.086 1.00 0.00 H new ATOM 0 HA GLN A 132 0.674 -7.988 -14.486 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.546 -5.117 -13.675 1.00 0.00 H new ATOM 0 HB3 GLN A 132 1.571 -6.167 -12.717 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.713 -6.947 -14.811 1.00 0.00 H new ATOM 0 HG3 GLN A 132 1.702 -5.871 -15.755 1.00 0.00 H new ATOM 0 HE21 GLN A 132 4.676 -6.210 -14.644 1.00 0.00 H new ATOM 0 HE22 GLN A 132 5.162 -4.540 -14.335 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.277 -7.116 -11.982 1.00 0.00 N ATOM 2060 CA ALA A 133 -1.825 -7.565 -10.714 1.00 0.00 C ATOM 2061 C ALA A 133 -2.304 -9.012 -10.854 1.00 0.00 C ATOM 2062 O ALA A 133 -1.963 -9.863 -10.036 1.00 0.00 O ATOM 2063 CB ALA A 133 -2.946 -6.619 -10.278 1.00 0.00 C ATOM 0 H ALA A 133 -1.667 -6.239 -12.328 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.061 -7.544 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.357 -6.956 -9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.548 -5.611 -10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.733 -6.615 -11.032 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.088 -9.243 -11.897 1.00 0.00 N ATOM 2070 CA LEU A 134 -3.618 -10.571 -12.154 1.00 0.00 C ATOM 2071 C LEU A 134 -2.465 -11.578 -12.191 1.00 0.00 C ATOM 2072 O LEU A 134 -2.584 -12.683 -11.665 1.00 0.00 O ATOM 2073 CB LEU A 134 -4.473 -10.571 -13.423 1.00 0.00 C ATOM 2074 CG LEU A 134 -5.735 -9.706 -13.381 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -6.676 -10.052 -14.535 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.432 -9.819 -12.022 1.00 0.00 C ATOM 0 H LEU A 134 -3.369 -8.533 -12.574 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.284 -10.877 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -3.854 -10.235 -14.255 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -4.767 -11.598 -13.639 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.439 -8.665 -13.507 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -7.564 -9.423 -14.481 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.167 -9.881 -15.483 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.969 -11.100 -14.464 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.326 -9.195 -12.018 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -6.713 -10.857 -11.843 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.754 -9.486 -11.236 1.00 0.00 H new