USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 575 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 33 SER OG : rot 180:sc= 0.65 USER MOD Set 1.2: A 36 THR OG1 : rot 91:sc= 0.715 USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.796) USER MOD Single : A 9 THR OG1 : rot -75:sc= -1.49 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -135:sc= 0 (180deg=-1.16) USER MOD Single : A 15 TYR OH : rot -144:sc= -0.409 USER MOD Single : A 19 THR OG1 : rot -138:sc= 0.946 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= -0.351 (180deg=-1.07) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -9.19! C(o=-9.2!,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -70:sc= 1.27 USER MOD Single : A 49 ASN : amide:sc= -0.43 K(o=-0.43,f=-2.9) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.705 USER MOD Single : A 63 HIS : no HD1:sc= -4.85! C(o=-4.9!,f=-8.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.714 5.497 -5.290 1.00 32.11 N ATOM 88 CA LYS A 6 9.123 5.354 -5.634 1.00 63.43 C ATOM 89 C LYS A 6 9.540 6.396 -6.667 1.00 72.11 C ATOM 90 O LYS A 6 10.710 6.768 -6.749 1.00 71.32 O ATOM 91 CB LYS A 6 9.397 3.948 -6.174 1.00 24.15 C ATOM 92 CG LYS A 6 9.252 3.836 -7.681 1.00 74.42 C ATOM 93 CD LYS A 6 10.571 4.092 -8.390 1.00 23.34 C ATOM 94 CE LYS A 6 10.924 2.956 -9.338 1.00 5.13 C ATOM 95 NZ LYS A 6 12.088 3.297 -10.202 1.00 70.04 N ATOM 0 HA LYS A 6 9.710 5.510 -4.729 1.00 63.43 H new ATOM 0 HB2 LYS A 6 10.407 3.650 -5.892 1.00 24.15 H new ATOM 0 HB3 LYS A 6 8.712 3.246 -5.698 1.00 24.15 H new ATOM 0 HG2 LYS A 6 8.886 2.842 -7.939 1.00 74.42 H new ATOM 0 HG3 LYS A 6 8.506 4.550 -8.030 1.00 74.42 H new ATOM 0 HD2 LYS A 6 10.510 5.027 -8.947 1.00 23.34 H new ATOM 0 HD3 LYS A 6 11.365 4.212 -7.652 1.00 23.34 H new ATOM 0 HE2 LYS A 6 11.150 2.059 -8.762 1.00 5.13 H new ATOM 0 HE3 LYS A 6 10.062 2.724 -9.964 1.00 5.13 H new ATOM 0 HZ1 LYS A 6 12.600 2.427 -10.454 1.00 70.04 H new ATOM 0 HZ2 LYS A 6 11.752 3.764 -11.068 1.00 70.04 H new ATOM 0 HZ3 LYS A 6 12.726 3.938 -9.688 1.00 70.04 H new ATOM 109 N GLU A 7 8.574 6.864 -7.452 1.00 21.21 N ATOM 110 CA GLU A 7 8.842 7.864 -8.478 1.00 43.05 C ATOM 111 C GLU A 7 8.833 9.270 -7.884 1.00 72.53 C ATOM 112 O GLU A 7 9.442 10.190 -8.430 1.00 22.41 O ATOM 113 CB GLU A 7 7.807 7.766 -9.601 1.00 34.25 C ATOM 114 CG GLU A 7 7.643 6.361 -10.157 1.00 11.25 C ATOM 115 CD GLU A 7 6.879 6.338 -11.466 1.00 64.44 C ATOM 116 OE1 GLU A 7 5.635 6.434 -11.429 1.00 12.03 O ATOM 117 OE2 GLU A 7 7.526 6.223 -12.529 1.00 33.55 O ATOM 0 H GLU A 7 7.600 6.567 -7.397 1.00 21.21 H new ATOM 0 HA GLU A 7 9.832 7.668 -8.889 1.00 43.05 H new ATOM 0 HB2 GLU A 7 6.844 8.115 -9.228 1.00 34.25 H new ATOM 0 HB3 GLU A 7 8.097 8.436 -10.410 1.00 34.25 H new ATOM 0 HG2 GLU A 7 8.627 5.916 -10.307 1.00 11.25 H new ATOM 0 HG3 GLU A 7 7.122 5.743 -9.426 1.00 11.25 H new ATOM 124 N ARG A 8 8.136 9.427 -6.763 1.00 64.03 N ATOM 125 CA ARG A 8 8.046 10.720 -6.096 1.00 34.24 C ATOM 126 C ARG A 8 9.434 11.266 -5.776 1.00 63.35 C ATOM 127 O ARG A 8 9.655 12.477 -5.786 1.00 11.32 O ATOM 128 CB ARG A 8 7.226 10.597 -4.810 1.00 3.05 C ATOM 129 CG ARG A 8 6.847 11.936 -4.199 1.00 0.22 C ATOM 130 CD ARG A 8 6.089 11.758 -2.892 1.00 42.15 C ATOM 131 NE ARG A 8 4.672 11.486 -3.115 1.00 14.13 N ATOM 132 CZ ARG A 8 3.768 11.456 -2.142 1.00 32.23 C ATOM 133 NH1 ARG A 8 4.132 11.680 -0.887 1.00 21.23 N ATOM 134 NH2 ARG A 8 2.496 11.201 -2.423 1.00 43.43 N ATOM 0 H ARG A 8 7.626 8.676 -6.298 1.00 64.03 H new ATOM 0 HA ARG A 8 7.549 11.415 -6.772 1.00 34.24 H new ATOM 0 HB2 ARG A 8 6.317 10.033 -5.021 1.00 3.05 H new ATOM 0 HB3 ARG A 8 7.795 10.022 -4.080 1.00 3.05 H new ATOM 0 HG2 ARG A 8 7.747 12.524 -4.021 1.00 0.22 H new ATOM 0 HG3 ARG A 8 6.233 12.498 -4.903 1.00 0.22 H new ATOM 0 HD2 ARG A 8 6.531 10.938 -2.325 1.00 42.15 H new ATOM 0 HD3 ARG A 8 6.195 12.658 -2.286 1.00 42.15 H new ATOM 0 HE ARG A 8 4.359 11.309 -4.070 1.00 14.13 H new ATOM 0 HH11 ARG A 8 5.108 11.876 -0.666 1.00 21.23 H new ATOM 0 HH12 ARG A 8 3.436 11.656 -0.142 1.00 21.23 H new ATOM 0 HH21 ARG A 8 2.212 11.028 -3.387 1.00 43.43 H new ATOM 0 HH22 ARG A 8 1.803 11.178 -1.675 1.00 43.43 H new ATOM 148 N THR A 9 10.369 10.363 -5.493 1.00 53.34 N ATOM 149 CA THR A 9 11.735 10.754 -5.170 1.00 21.42 C ATOM 150 C THR A 9 12.550 11.004 -6.434 1.00 34.52 C ATOM 151 O THR A 9 13.490 11.798 -6.430 1.00 43.11 O ATOM 152 CB THR A 9 12.441 9.678 -4.322 1.00 53.22 C ATOM 153 OG1 THR A 9 13.814 10.033 -4.126 1.00 22.51 O ATOM 154 CG2 THR A 9 12.354 8.316 -4.995 1.00 1.45 C ATOM 0 H THR A 9 10.204 9.356 -5.481 1.00 53.34 H new ATOM 0 HA THR A 9 11.672 11.677 -4.594 1.00 21.42 H new ATOM 0 HB THR A 9 11.940 9.620 -3.356 1.00 53.22 H new ATOM 0 HG1 THR A 9 14.315 9.870 -4.952 1.00 22.51 H new ATOM 0 HG21 THR A 9 12.859 7.573 -4.378 1.00 1.45 H new ATOM 0 HG22 THR A 9 11.308 8.036 -5.116 1.00 1.45 H new ATOM 0 HG23 THR A 9 12.833 8.362 -5.973 1.00 1.45 H new ATOM 162 N ILE A 10 12.182 10.321 -7.513 1.00 42.43 N ATOM 163 CA ILE A 10 12.879 10.472 -8.785 1.00 34.41 C ATOM 164 C ILE A 10 13.019 11.942 -9.164 1.00 65.12 C ATOM 165 O ILE A 10 14.101 12.398 -9.538 1.00 34.44 O ATOM 166 CB ILE A 10 12.147 9.729 -9.918 1.00 63.55 C ATOM 167 CG1 ILE A 10 12.223 8.216 -9.698 1.00 52.32 C ATOM 168 CG2 ILE A 10 12.742 10.103 -11.268 1.00 5.14 C ATOM 169 CD1 ILE A 10 13.633 7.670 -9.732 1.00 1.42 C ATOM 0 H ILE A 10 11.407 9.659 -7.532 1.00 42.43 H new ATOM 0 HA ILE A 10 13.870 10.037 -8.656 1.00 34.41 H new ATOM 0 HB ILE A 10 11.099 10.027 -9.909 1.00 63.55 H new ATOM 0 HG12 ILE A 10 11.772 7.974 -8.736 1.00 52.32 H new ATOM 0 HG13 ILE A 10 11.630 7.716 -10.463 1.00 52.32 H new ATOM 0 HG21 ILE A 10 12.214 9.570 -12.059 1.00 5.14 H new ATOM 0 HG22 ILE A 10 12.642 11.177 -11.425 1.00 5.14 H new ATOM 0 HG23 ILE A 10 13.797 9.830 -11.289 1.00 5.14 H new ATOM 0 HD11 ILE A 10 13.610 6.593 -9.569 1.00 1.42 H new ATOM 0 HD12 ILE A 10 14.081 7.881 -10.703 1.00 1.42 H new ATOM 0 HD13 ILE A 10 14.225 8.143 -8.949 1.00 1.42 H new ATOM 181 N LYS A 11 11.920 12.681 -9.064 1.00 72.02 N ATOM 182 CA LYS A 11 11.920 14.101 -9.393 1.00 55.44 C ATOM 183 C LYS A 11 12.940 14.856 -8.548 1.00 3.13 C ATOM 184 O LYS A 11 13.647 15.732 -9.047 1.00 2.22 O ATOM 185 CB LYS A 11 10.525 14.695 -9.179 1.00 44.25 C ATOM 186 CG LYS A 11 9.410 13.865 -9.791 1.00 22.44 C ATOM 187 CD LYS A 11 8.072 14.579 -9.705 1.00 32.11 C ATOM 188 CE LYS A 11 6.911 13.599 -9.786 1.00 40.32 C ATOM 189 NZ LYS A 11 5.953 13.963 -10.867 1.00 63.40 N ATOM 0 H LYS A 11 11.017 12.320 -8.757 1.00 72.02 H new ATOM 0 HA LYS A 11 12.196 14.205 -10.442 1.00 55.44 H new ATOM 0 HB2 LYS A 11 10.344 14.799 -8.109 1.00 44.25 H new ATOM 0 HB3 LYS A 11 10.497 15.697 -9.606 1.00 44.25 H new ATOM 0 HG2 LYS A 11 9.644 13.653 -10.834 1.00 22.44 H new ATOM 0 HG3 LYS A 11 9.345 12.906 -9.277 1.00 22.44 H new ATOM 0 HD2 LYS A 11 8.015 15.136 -8.770 1.00 32.11 H new ATOM 0 HD3 LYS A 11 7.993 15.306 -10.514 1.00 32.11 H new ATOM 0 HE2 LYS A 11 7.295 12.595 -9.964 1.00 40.32 H new ATOM 0 HE3 LYS A 11 6.388 13.575 -8.830 1.00 40.32 H new ATOM 0 HZ1 LYS A 11 5.176 13.272 -10.890 1.00 63.40 H new ATOM 0 HZ2 LYS A 11 5.567 14.911 -10.684 1.00 63.40 H new ATOM 0 HZ3 LYS A 11 6.446 13.961 -11.783 1.00 63.40 H new ATOM 203 N ILE A 12 13.013 14.510 -7.267 1.00 34.30 N ATOM 204 CA ILE A 12 13.949 15.153 -6.354 1.00 11.22 C ATOM 205 C ILE A 12 15.392 14.833 -6.730 1.00 54.11 C ATOM 206 O ILE A 12 16.194 15.732 -6.978 1.00 55.45 O ATOM 207 CB ILE A 12 13.702 14.720 -4.897 1.00 21.23 C ATOM 208 CG1 ILE A 12 12.246 14.978 -4.505 1.00 32.13 C ATOM 209 CG2 ILE A 12 14.647 15.455 -3.958 1.00 42.01 C ATOM 210 CD1 ILE A 12 11.918 14.561 -3.088 1.00 4.01 C ATOM 0 H ILE A 12 12.435 13.788 -6.838 1.00 34.30 H new ATOM 0 HA ILE A 12 13.784 16.227 -6.438 1.00 11.22 H new ATOM 0 HB ILE A 12 13.897 13.651 -4.814 1.00 21.23 H new ATOM 0 HG12 ILE A 12 12.030 16.040 -4.622 1.00 32.13 H new ATOM 0 HG13 ILE A 12 11.593 14.442 -5.193 1.00 32.13 H new ATOM 0 HG21 ILE A 12 14.460 15.138 -2.932 1.00 42.01 H new ATOM 0 HG22 ILE A 12 15.678 15.225 -4.226 1.00 42.01 H new ATOM 0 HG23 ILE A 12 14.481 16.529 -4.042 1.00 42.01 H new ATOM 0 HD11 ILE A 12 10.869 14.773 -2.880 1.00 4.01 H new ATOM 0 HD12 ILE A 12 12.102 13.493 -2.971 1.00 4.01 H new ATOM 0 HD13 ILE A 12 12.546 15.116 -2.391 1.00 4.01 H new ATOM 222 N GLY A 13 15.715 13.544 -6.772 1.00 33.02 N ATOM 223 CA GLY A 13 17.060 13.127 -7.120 1.00 44.44 C ATOM 224 C GLY A 13 17.509 13.679 -8.459 1.00 64.52 C ATOM 225 O GLY A 13 18.696 13.929 -8.670 1.00 24.31 O ATOM 0 H GLY A 13 15.069 12.781 -6.571 1.00 33.02 H new ATOM 0 HA2 GLY A 13 17.751 13.456 -6.344 1.00 44.44 H new ATOM 0 HA3 GLY A 13 17.105 12.038 -7.146 1.00 44.44 H new ATOM 229 N LYS A 14 16.559 13.867 -9.368 1.00 40.14 N ATOM 230 CA LYS A 14 16.862 14.392 -10.695 1.00 34.42 C ATOM 231 C LYS A 14 16.896 15.916 -10.682 1.00 52.51 C ATOM 232 O LYS A 14 17.548 16.539 -11.521 1.00 15.43 O ATOM 233 CB LYS A 14 15.824 13.903 -11.708 1.00 22.50 C ATOM 234 CG LYS A 14 15.792 12.392 -11.865 1.00 2.12 C ATOM 235 CD LYS A 14 16.526 11.946 -13.118 1.00 64.02 C ATOM 236 CE LYS A 14 16.128 10.536 -13.526 1.00 35.14 C ATOM 237 NZ LYS A 14 17.292 9.752 -14.024 1.00 53.31 N ATOM 0 H LYS A 14 15.572 13.664 -9.211 1.00 40.14 H new ATOM 0 HA LYS A 14 17.847 14.027 -10.987 1.00 34.42 H new ATOM 0 HB2 LYS A 14 14.837 14.249 -11.400 1.00 22.50 H new ATOM 0 HB3 LYS A 14 16.033 14.356 -12.677 1.00 22.50 H new ATOM 0 HG2 LYS A 14 16.246 11.925 -10.991 1.00 2.12 H new ATOM 0 HG3 LYS A 14 14.757 12.052 -11.908 1.00 2.12 H new ATOM 0 HD2 LYS A 14 16.309 12.636 -13.933 1.00 64.02 H new ATOM 0 HD3 LYS A 14 17.601 11.986 -12.944 1.00 64.02 H new ATOM 0 HE2 LYS A 14 15.683 10.023 -12.673 1.00 35.14 H new ATOM 0 HE3 LYS A 14 15.364 10.585 -14.302 1.00 35.14 H new ATOM 0 HZ1 LYS A 14 17.024 9.245 -14.892 1.00 53.31 H new ATOM 0 HZ2 LYS A 14 18.082 10.396 -14.229 1.00 53.31 H new ATOM 0 HZ3 LYS A 14 17.584 9.066 -13.299 1.00 53.31 H new ATOM 251 N TYR A 15 16.192 16.511 -9.726 1.00 12.43 N ATOM 252 CA TYR A 15 16.141 17.964 -9.605 1.00 22.42 C ATOM 253 C TYR A 15 17.382 18.495 -8.893 1.00 73.41 C ATOM 254 O TYR A 15 17.958 19.505 -9.297 1.00 61.24 O ATOM 255 CB TYR A 15 14.883 18.390 -8.846 1.00 71.45 C ATOM 256 CG TYR A 15 14.682 19.888 -8.799 1.00 64.54 C ATOM 257 CD1 TYR A 15 15.319 20.663 -7.839 1.00 3.44 C ATOM 258 CD2 TYR A 15 13.855 20.527 -9.715 1.00 25.23 C ATOM 259 CE1 TYR A 15 15.139 22.032 -7.791 1.00 54.32 C ATOM 260 CE2 TYR A 15 13.670 21.895 -9.676 1.00 1.22 C ATOM 261 CZ TYR A 15 14.314 22.643 -8.712 1.00 54.52 C ATOM 262 OH TYR A 15 14.130 24.007 -8.669 1.00 64.41 O ATOM 0 H TYR A 15 15.648 16.010 -9.023 1.00 12.43 H new ATOM 0 HA TYR A 15 16.112 18.386 -10.610 1.00 22.42 H new ATOM 0 HB2 TYR A 15 14.013 17.930 -9.314 1.00 71.45 H new ATOM 0 HB3 TYR A 15 14.937 18.007 -7.827 1.00 71.45 H new ATOM 0 HD1 TYR A 15 15.966 20.187 -7.117 1.00 3.44 H new ATOM 0 HD2 TYR A 15 13.349 19.944 -10.470 1.00 25.23 H new ATOM 0 HE1 TYR A 15 15.641 22.620 -7.037 1.00 54.32 H new ATOM 0 HE2 TYR A 15 13.025 22.377 -10.396 1.00 1.22 H new ATOM 0 HH TYR A 15 13.205 24.220 -8.913 1.00 64.41 H new ATOM 272 N ILE A 16 17.787 17.806 -7.832 1.00 30.24 N ATOM 273 CA ILE A 16 18.960 18.206 -7.064 1.00 73.00 C ATOM 274 C ILE A 16 20.176 18.376 -7.968 1.00 3.05 C ATOM 275 O ILE A 16 21.028 19.232 -7.726 1.00 54.03 O ATOM 276 CB ILE A 16 19.290 17.179 -5.965 1.00 3.34 C ATOM 277 CG1 ILE A 16 19.808 15.881 -6.588 1.00 0.34 C ATOM 278 CG2 ILE A 16 18.064 16.909 -5.106 1.00 75.24 C ATOM 279 CD1 ILE A 16 21.317 15.805 -6.658 1.00 21.44 C ATOM 0 H ILE A 16 17.321 16.968 -7.484 1.00 30.24 H new ATOM 0 HA ILE A 16 18.721 19.161 -6.597 1.00 73.00 H new ATOM 0 HB ILE A 16 20.072 17.591 -5.327 1.00 3.34 H new ATOM 0 HG12 ILE A 16 19.436 15.036 -6.009 1.00 0.34 H new ATOM 0 HG13 ILE A 16 19.400 15.782 -7.594 1.00 0.34 H new ATOM 0 HG21 ILE A 16 18.314 16.181 -4.334 1.00 75.24 H new ATOM 0 HG22 ILE A 16 17.737 17.837 -4.637 1.00 75.24 H new ATOM 0 HG23 ILE A 16 17.262 16.515 -5.730 1.00 75.24 H new ATOM 0 HD11 ILE A 16 21.613 14.859 -7.110 1.00 21.44 H new ATOM 0 HD12 ILE A 16 21.695 16.630 -7.262 1.00 21.44 H new ATOM 0 HD13 ILE A 16 21.732 15.872 -5.652 1.00 21.44 H new ATOM 291 N VAL A 17 20.251 17.556 -9.011 1.00 21.32 N ATOM 292 CA VAL A 17 21.362 17.617 -9.953 1.00 71.32 C ATOM 293 C VAL A 17 21.103 18.652 -11.042 1.00 33.01 C ATOM 294 O VAL A 17 22.036 19.235 -11.592 1.00 3.12 O ATOM 295 CB VAL A 17 21.615 16.248 -10.612 1.00 20.41 C ATOM 296 CG1 VAL A 17 20.420 15.832 -11.456 1.00 41.03 C ATOM 297 CG2 VAL A 17 22.883 16.287 -11.451 1.00 24.22 C ATOM 0 H VAL A 17 19.555 16.841 -9.225 1.00 21.32 H new ATOM 0 HA VAL A 17 22.245 17.906 -9.383 1.00 71.32 H new ATOM 0 HB VAL A 17 21.750 15.505 -9.826 1.00 20.41 H new ATOM 0 HG11 VAL A 17 20.617 14.863 -11.913 1.00 41.03 H new ATOM 0 HG12 VAL A 17 19.535 15.761 -10.824 1.00 41.03 H new ATOM 0 HG13 VAL A 17 20.250 16.574 -12.237 1.00 41.03 H new ATOM 0 HG21 VAL A 17 23.046 15.312 -11.909 1.00 24.22 H new ATOM 0 HG22 VAL A 17 22.780 17.042 -12.231 1.00 24.22 H new ATOM 0 HG23 VAL A 17 23.733 16.536 -10.815 1.00 24.22 H new ATOM 307 N GLU A 18 19.828 18.875 -11.347 1.00 43.24 N ATOM 308 CA GLU A 18 19.447 19.841 -12.371 1.00 73.44 C ATOM 309 C GLU A 18 19.655 21.269 -11.877 1.00 10.21 C ATOM 310 O GLU A 18 19.917 22.179 -12.664 1.00 1.51 O ATOM 311 CB GLU A 18 17.985 19.637 -12.776 1.00 41.41 C ATOM 312 CG GLU A 18 17.804 19.267 -14.239 1.00 4.23 C ATOM 313 CD GLU A 18 17.223 17.879 -14.422 1.00 24.44 C ATOM 314 OE1 GLU A 18 16.209 17.569 -13.762 1.00 0.11 O ATOM 315 OE2 GLU A 18 17.783 17.102 -15.223 1.00 75.34 O ATOM 0 H GLU A 18 19.043 18.401 -10.900 1.00 43.24 H new ATOM 0 HA GLU A 18 20.084 19.680 -13.241 1.00 73.44 H new ATOM 0 HB2 GLU A 18 17.551 18.853 -12.155 1.00 41.41 H new ATOM 0 HB3 GLU A 18 17.429 20.551 -12.570 1.00 41.41 H new ATOM 0 HG2 GLU A 18 17.150 19.997 -14.716 1.00 4.23 H new ATOM 0 HG3 GLU A 18 18.767 19.323 -14.746 1.00 4.23 H new ATOM 322 N THR A 19 19.536 21.459 -10.566 1.00 72.14 N ATOM 323 CA THR A 19 19.709 22.776 -9.966 1.00 31.51 C ATOM 324 C THR A 19 20.974 22.831 -9.117 1.00 70.23 C ATOM 325 O THR A 19 21.462 23.910 -8.781 1.00 61.01 O ATOM 326 CB THR A 19 18.500 23.157 -9.091 1.00 1.13 C ATOM 327 OG1 THR A 19 18.355 22.218 -8.020 1.00 30.14 O ATOM 328 CG2 THR A 19 17.223 23.193 -9.917 1.00 64.21 C ATOM 0 H THR A 19 19.321 20.717 -9.900 1.00 72.14 H new ATOM 0 HA THR A 19 19.794 23.489 -10.786 1.00 31.51 H new ATOM 0 HB THR A 19 18.676 24.151 -8.681 1.00 1.13 H new ATOM 0 HG1 THR A 19 17.407 21.996 -7.906 1.00 30.14 H new ATOM 0 HG21 THR A 19 16.383 23.464 -9.277 1.00 64.21 H new ATOM 0 HG22 THR A 19 17.325 23.930 -10.713 1.00 64.21 H new ATOM 0 HG23 THR A 19 17.044 22.210 -10.353 1.00 64.21 H new ATOM 336 N LYS A 20 21.502 21.661 -8.774 1.00 31.12 N ATOM 337 CA LYS A 20 22.712 21.575 -7.965 1.00 64.04 C ATOM 338 C LYS A 20 22.538 22.318 -6.644 1.00 63.55 C ATOM 339 O LYS A 20 23.512 22.773 -6.043 1.00 55.03 O ATOM 340 CB LYS A 20 23.905 22.150 -8.733 1.00 12.41 C ATOM 341 CG LYS A 20 24.033 21.614 -10.148 1.00 65.20 C ATOM 342 CD LYS A 20 24.387 20.136 -10.154 1.00 44.10 C ATOM 343 CE LYS A 20 25.753 19.888 -9.532 1.00 62.44 C ATOM 344 NZ LYS A 20 26.487 18.793 -10.225 1.00 62.25 N ATOM 0 H LYS A 20 21.111 20.759 -9.044 1.00 31.12 H new ATOM 0 HA LYS A 20 22.900 20.524 -7.748 1.00 64.04 H new ATOM 0 HB2 LYS A 20 23.812 23.235 -8.772 1.00 12.41 H new ATOM 0 HB3 LYS A 20 24.821 21.927 -8.185 1.00 12.41 H new ATOM 0 HG2 LYS A 20 23.095 21.767 -10.682 1.00 65.20 H new ATOM 0 HG3 LYS A 20 24.799 22.175 -10.683 1.00 65.20 H new ATOM 0 HD2 LYS A 20 23.629 19.577 -9.605 1.00 44.10 H new ATOM 0 HD3 LYS A 20 24.379 19.763 -11.178 1.00 44.10 H new ATOM 0 HE2 LYS A 20 26.343 20.804 -9.574 1.00 62.44 H new ATOM 0 HE3 LYS A 20 25.632 19.634 -8.479 1.00 62.44 H new ATOM 0 HZ1 LYS A 20 27.413 18.655 -9.772 1.00 62.25 H new ATOM 0 HZ2 LYS A 20 25.936 17.913 -10.164 1.00 62.25 H new ATOM 0 HZ3 LYS A 20 26.625 19.046 -11.224 1.00 62.25 H new ATOM 358 N LYS A 21 21.293 22.435 -6.197 1.00 11.13 N ATOM 359 CA LYS A 21 20.991 23.120 -4.945 1.00 74.43 C ATOM 360 C LYS A 21 21.028 22.147 -3.771 1.00 13.45 C ATOM 361 O LYS A 21 21.366 20.974 -3.932 1.00 11.21 O ATOM 362 CB LYS A 21 19.616 23.788 -5.025 1.00 22.03 C ATOM 363 CG LYS A 21 19.681 25.301 -5.142 1.00 25.13 C ATOM 364 CD LYS A 21 19.019 25.791 -6.419 1.00 23.53 C ATOM 365 CE LYS A 21 17.544 25.424 -6.457 1.00 73.24 C ATOM 366 NZ LYS A 21 16.672 26.631 -6.477 1.00 4.31 N ATOM 0 H LYS A 21 20.476 22.065 -6.683 1.00 11.13 H new ATOM 0 HA LYS A 21 21.751 23.885 -4.785 1.00 74.43 H new ATOM 0 HB2 LYS A 21 19.077 23.388 -5.884 1.00 22.03 H new ATOM 0 HB3 LYS A 21 19.041 23.525 -4.137 1.00 22.03 H new ATOM 0 HG2 LYS A 21 19.192 25.755 -4.280 1.00 25.13 H new ATOM 0 HG3 LYS A 21 20.722 25.624 -5.124 1.00 25.13 H new ATOM 0 HD2 LYS A 21 19.128 26.873 -6.495 1.00 23.53 H new ATOM 0 HD3 LYS A 21 19.525 25.358 -7.282 1.00 23.53 H new ATOM 0 HE2 LYS A 21 17.344 24.817 -7.340 1.00 73.24 H new ATOM 0 HE3 LYS A 21 17.299 24.814 -5.588 1.00 73.24 H new ATOM 0 HZ1 LYS A 21 15.750 26.400 -6.055 1.00 4.31 H new ATOM 0 HZ2 LYS A 21 17.121 27.393 -5.930 1.00 4.31 H new ATOM 0 HZ3 LYS A 21 16.535 26.944 -7.459 1.00 4.31 H new ATOM 380 N THR A 22 20.676 22.642 -2.587 1.00 63.15 N ATOM 381 CA THR A 22 20.669 21.817 -1.386 1.00 1.00 C ATOM 382 C THR A 22 19.280 21.251 -1.116 1.00 73.11 C ATOM 383 O THR A 22 18.278 21.781 -1.597 1.00 0.33 O ATOM 384 CB THR A 22 21.134 22.616 -0.154 1.00 30.45 C ATOM 385 OG1 THR A 22 20.095 23.502 0.276 1.00 10.41 O ATOM 386 CG2 THR A 22 22.391 23.413 -0.468 1.00 14.10 C ATOM 0 H THR A 22 20.392 23.610 -2.435 1.00 63.15 H new ATOM 0 HA THR A 22 21.365 20.996 -1.562 1.00 1.00 H new ATOM 0 HB THR A 22 21.362 21.910 0.645 1.00 30.45 H new ATOM 0 HG1 THR A 22 20.398 24.005 1.061 1.00 10.41 H new ATOM 0 HG21 THR A 22 22.700 23.969 0.417 1.00 14.10 H new ATOM 0 HG22 THR A 22 23.189 22.732 -0.766 1.00 14.10 H new ATOM 0 HG23 THR A 22 22.186 24.110 -1.281 1.00 14.10 H new ATOM 394 N VAL A 23 19.226 20.171 -0.343 1.00 74.33 N ATOM 395 CA VAL A 23 17.958 19.533 -0.008 1.00 11.53 C ATOM 396 C VAL A 23 16.967 20.545 0.558 1.00 24.24 C ATOM 397 O VAL A 23 15.754 20.379 0.430 1.00 3.40 O ATOM 398 CB VAL A 23 18.154 18.397 1.013 1.00 20.21 C ATOM 399 CG1 VAL A 23 18.729 17.163 0.334 1.00 31.25 C ATOM 400 CG2 VAL A 23 19.050 18.854 2.154 1.00 45.43 C ATOM 0 H VAL A 23 20.046 19.719 0.063 1.00 74.33 H new ATOM 0 HA VAL A 23 17.559 19.116 -0.933 1.00 11.53 H new ATOM 0 HB VAL A 23 17.181 18.134 1.429 1.00 20.21 H new ATOM 0 HG11 VAL A 23 18.861 16.371 1.071 1.00 31.25 H new ATOM 0 HG12 VAL A 23 18.046 16.825 -0.445 1.00 31.25 H new ATOM 0 HG13 VAL A 23 19.693 17.409 -0.111 1.00 31.25 H new ATOM 0 HG21 VAL A 23 19.177 18.038 2.866 1.00 45.43 H new ATOM 0 HG22 VAL A 23 20.023 19.145 1.758 1.00 45.43 H new ATOM 0 HG23 VAL A 23 18.593 19.706 2.657 1.00 45.43 H new ATOM 410 N ARG A 24 17.493 21.593 1.185 1.00 71.43 N ATOM 411 CA ARG A 24 16.655 22.631 1.771 1.00 13.24 C ATOM 412 C ARG A 24 15.932 23.424 0.686 1.00 3.33 C ATOM 413 O ARG A 24 14.786 23.836 0.863 1.00 54.12 O ATOM 414 CB ARG A 24 17.500 23.574 2.630 1.00 71.01 C ATOM 415 CG ARG A 24 16.739 24.793 3.125 1.00 44.41 C ATOM 416 CD ARG A 24 17.201 25.212 4.512 1.00 15.21 C ATOM 417 NE ARG A 24 16.812 26.584 4.827 1.00 42.42 N ATOM 418 CZ ARG A 24 17.407 27.654 4.310 1.00 62.43 C ATOM 419 NH1 ARG A 24 18.412 27.510 3.457 1.00 22.40 N ATOM 420 NH2 ARG A 24 16.997 28.870 4.645 1.00 54.00 N ATOM 0 H ARG A 24 18.495 21.745 1.300 1.00 71.43 H new ATOM 0 HA ARG A 24 15.909 22.147 2.401 1.00 13.24 H new ATOM 0 HB2 ARG A 24 17.885 23.023 3.488 1.00 71.01 H new ATOM 0 HB3 ARG A 24 18.362 23.905 2.051 1.00 71.01 H new ATOM 0 HG2 ARG A 24 16.880 25.619 2.428 1.00 44.41 H new ATOM 0 HG3 ARG A 24 15.672 24.573 3.147 1.00 44.41 H new ATOM 0 HD2 ARG A 24 16.778 24.536 5.255 1.00 15.21 H new ATOM 0 HD3 ARG A 24 18.285 25.119 4.577 1.00 15.21 H new ATOM 0 HE ARG A 24 16.042 26.729 5.479 1.00 42.42 H new ATOM 0 HH11 ARG A 24 18.730 26.577 3.196 1.00 22.40 H new ATOM 0 HH12 ARG A 24 18.867 28.333 3.061 1.00 22.40 H new ATOM 0 HH21 ARG A 24 16.224 28.985 5.300 1.00 54.00 H new ATOM 0 HH22 ARG A 24 17.455 29.690 4.247 1.00 54.00 H new ATOM 434 N VAL A 25 16.612 23.635 -0.437 1.00 14.43 N ATOM 435 CA VAL A 25 16.035 24.378 -1.551 1.00 10.52 C ATOM 436 C VAL A 25 15.222 23.463 -2.460 1.00 3.42 C ATOM 437 O VAL A 25 14.275 23.902 -3.113 1.00 10.45 O ATOM 438 CB VAL A 25 17.126 25.075 -2.385 1.00 41.41 C ATOM 439 CG1 VAL A 25 16.500 26.008 -3.411 1.00 60.21 C ATOM 440 CG2 VAL A 25 18.086 25.833 -1.480 1.00 60.31 C ATOM 0 H VAL A 25 17.562 23.302 -0.599 1.00 14.43 H new ATOM 0 HA VAL A 25 15.378 25.134 -1.121 1.00 10.52 H new ATOM 0 HB VAL A 25 17.692 24.312 -2.920 1.00 41.41 H new ATOM 0 HG11 VAL A 25 17.286 26.491 -3.991 1.00 60.21 H new ATOM 0 HG12 VAL A 25 15.857 25.435 -4.079 1.00 60.21 H new ATOM 0 HG13 VAL A 25 15.908 26.767 -2.899 1.00 60.21 H new ATOM 0 HG21 VAL A 25 18.850 26.319 -2.086 1.00 60.31 H new ATOM 0 HG22 VAL A 25 17.536 26.587 -0.916 1.00 60.31 H new ATOM 0 HG23 VAL A 25 18.560 25.137 -0.788 1.00 60.31 H new ATOM 450 N ILE A 26 15.599 22.190 -2.497 1.00 33.41 N ATOM 451 CA ILE A 26 14.904 21.212 -3.325 1.00 15.00 C ATOM 452 C ILE A 26 13.632 20.718 -2.643 1.00 3.35 C ATOM 453 O ILE A 26 12.654 20.375 -3.305 1.00 33.43 O ATOM 454 CB ILE A 26 15.803 20.004 -3.645 1.00 24.20 C ATOM 455 CG1 ILE A 26 17.054 20.458 -4.400 1.00 62.33 C ATOM 456 CG2 ILE A 26 15.035 18.971 -4.455 1.00 34.41 C ATOM 457 CD1 ILE A 26 18.342 19.923 -3.814 1.00 33.43 C ATOM 0 H ILE A 26 16.382 21.811 -1.964 1.00 33.41 H new ATOM 0 HA ILE A 26 14.643 21.716 -4.255 1.00 15.00 H new ATOM 0 HB ILE A 26 16.114 19.543 -2.707 1.00 24.20 H new ATOM 0 HG12 ILE A 26 16.977 20.138 -5.439 1.00 62.33 H new ATOM 0 HG13 ILE A 26 17.091 21.547 -4.403 1.00 62.33 H new ATOM 0 HG21 ILE A 26 15.685 18.123 -4.673 1.00 34.41 H new ATOM 0 HG22 ILE A 26 14.172 18.629 -3.884 1.00 34.41 H new ATOM 0 HG23 ILE A 26 14.697 19.419 -5.390 1.00 34.41 H new ATOM 0 HD11 ILE A 26 19.187 20.286 -4.400 1.00 33.43 H new ATOM 0 HD12 ILE A 26 18.442 20.264 -2.784 1.00 33.43 H new ATOM 0 HD13 ILE A 26 18.327 18.833 -3.836 1.00 33.43 H new ATOM 469 N ALA A 27 13.654 20.688 -1.314 1.00 62.41 N ATOM 470 CA ALA A 27 12.502 20.240 -0.541 1.00 62.13 C ATOM 471 C ALA A 27 11.382 21.274 -0.576 1.00 61.05 C ATOM 472 O ALA A 27 10.234 20.951 -0.883 1.00 42.33 O ATOM 473 CB ALA A 27 12.911 19.950 0.895 1.00 12.34 C ATOM 0 H ALA A 27 14.457 20.969 -0.751 1.00 62.41 H new ATOM 0 HA ALA A 27 12.127 19.322 -0.993 1.00 62.13 H new ATOM 0 HB1 ALA A 27 12.041 19.616 1.461 1.00 12.34 H new ATOM 0 HB2 ALA A 27 13.672 19.170 0.906 1.00 12.34 H new ATOM 0 HB3 ALA A 27 13.313 20.856 1.349 1.00 12.34 H new ATOM 479 N LYS A 28 11.722 22.519 -0.260 1.00 22.23 N ATOM 480 CA LYS A 28 10.746 23.602 -0.255 1.00 72.43 C ATOM 481 C LYS A 28 9.980 23.650 -1.574 1.00 24.52 C ATOM 482 O LYS A 28 8.819 24.054 -1.613 1.00 32.44 O ATOM 483 CB LYS A 28 11.441 24.942 -0.008 1.00 44.22 C ATOM 484 CG LYS A 28 12.584 25.221 -0.969 1.00 24.51 C ATOM 485 CD LYS A 28 12.092 25.886 -2.243 1.00 42.12 C ATOM 486 CE LYS A 28 12.471 27.358 -2.285 1.00 43.52 C ATOM 487 NZ LYS A 28 12.819 27.803 -3.663 1.00 74.35 N ATOM 0 H LYS A 28 12.668 22.803 -0.004 1.00 22.23 H new ATOM 0 HA LYS A 28 10.036 23.414 0.551 1.00 72.43 H new ATOM 0 HB2 LYS A 28 10.706 25.743 -0.088 1.00 44.22 H new ATOM 0 HB3 LYS A 28 11.823 24.961 1.013 1.00 44.22 H new ATOM 0 HG2 LYS A 28 13.320 25.862 -0.484 1.00 24.51 H new ATOM 0 HG3 LYS A 28 13.089 24.287 -1.217 1.00 24.51 H new ATOM 0 HD2 LYS A 28 12.515 25.375 -3.108 1.00 42.12 H new ATOM 0 HD3 LYS A 28 11.009 25.786 -2.312 1.00 42.12 H new ATOM 0 HE2 LYS A 28 11.642 27.957 -1.909 1.00 43.52 H new ATOM 0 HE3 LYS A 28 13.318 27.534 -1.622 1.00 43.52 H new ATOM 0 HZ1 LYS A 28 13.071 28.812 -3.649 1.00 74.35 H new ATOM 0 HZ2 LYS A 28 13.627 27.249 -4.013 1.00 74.35 H new ATOM 0 HZ3 LYS A 28 12.002 27.659 -4.291 1.00 74.35 H new ATOM 501 N GLU A 29 10.639 23.233 -2.651 1.00 2.31 N ATOM 502 CA GLU A 29 10.019 23.229 -3.971 1.00 31.25 C ATOM 503 C GLU A 29 8.904 22.189 -4.044 1.00 43.13 C ATOM 504 O GLU A 29 7.870 22.415 -4.673 1.00 20.12 O ATOM 505 CB GLU A 29 11.066 22.947 -5.050 1.00 3.21 C ATOM 506 CG GLU A 29 11.951 24.141 -5.365 1.00 44.23 C ATOM 507 CD GLU A 29 11.958 24.488 -6.841 1.00 45.44 C ATOM 508 OE1 GLU A 29 11.774 23.571 -7.668 1.00 53.21 O ATOM 509 OE2 GLU A 29 12.149 25.678 -7.169 1.00 54.53 O ATOM 0 H GLU A 29 11.601 22.894 -2.635 1.00 2.31 H new ATOM 0 HA GLU A 29 9.586 24.214 -4.144 1.00 31.25 H new ATOM 0 HB2 GLU A 29 11.693 22.116 -4.728 1.00 3.21 H new ATOM 0 HB3 GLU A 29 10.560 22.630 -5.962 1.00 3.21 H new ATOM 0 HG2 GLU A 29 11.608 25.004 -4.794 1.00 44.23 H new ATOM 0 HG3 GLU A 29 12.970 23.929 -5.040 1.00 44.23 H new ATOM 516 N PHE A 30 9.123 21.049 -3.398 1.00 64.31 N ATOM 517 CA PHE A 30 8.139 19.973 -3.391 1.00 62.33 C ATOM 518 C PHE A 30 7.071 20.219 -2.330 1.00 1.32 C ATOM 519 O PHE A 30 5.954 19.715 -2.429 1.00 75.40 O ATOM 520 CB PHE A 30 8.824 18.628 -3.139 1.00 22.11 C ATOM 521 CG PHE A 30 9.487 18.054 -4.359 1.00 11.54 C ATOM 522 CD1 PHE A 30 10.504 18.744 -5.000 1.00 33.35 C ATOM 523 CD2 PHE A 30 9.093 16.826 -4.865 1.00 13.33 C ATOM 524 CE1 PHE A 30 11.116 18.219 -6.122 1.00 60.31 C ATOM 525 CE2 PHE A 30 9.702 16.296 -5.986 1.00 55.14 C ATOM 526 CZ PHE A 30 10.714 16.994 -6.617 1.00 35.34 C ATOM 0 H PHE A 30 9.973 20.846 -2.872 1.00 64.31 H new ATOM 0 HA PHE A 30 7.657 19.950 -4.368 1.00 62.33 H new ATOM 0 HB2 PHE A 30 9.570 18.751 -2.354 1.00 22.11 H new ATOM 0 HB3 PHE A 30 8.085 17.917 -2.768 1.00 22.11 H new ATOM 0 HD1 PHE A 30 10.822 19.703 -4.618 1.00 33.35 H new ATOM 0 HD2 PHE A 30 8.301 16.277 -4.378 1.00 13.33 H new ATOM 0 HE1 PHE A 30 11.908 18.766 -6.612 1.00 60.31 H new ATOM 0 HE2 PHE A 30 9.387 15.337 -6.369 1.00 55.14 H new ATOM 0 HZ PHE A 30 11.189 16.583 -7.495 1.00 35.34 H new ATOM 536 N GLY A 31 7.425 21.000 -1.313 1.00 33.51 N ATOM 537 CA GLY A 31 6.487 21.299 -0.247 1.00 13.51 C ATOM 538 C GLY A 31 6.611 20.341 0.921 1.00 12.52 C ATOM 539 O GLY A 31 5.615 19.989 1.553 1.00 73.42 O ATOM 0 H GLY A 31 8.344 21.430 -1.209 1.00 33.51 H new ATOM 0 HA2 GLY A 31 6.653 22.318 0.104 1.00 13.51 H new ATOM 0 HA3 GLY A 31 5.471 21.259 -0.640 1.00 13.51 H new ATOM 543 N VAL A 32 7.837 19.917 1.209 1.00 3.51 N ATOM 544 CA VAL A 32 8.088 18.994 2.309 1.00 64.21 C ATOM 545 C VAL A 32 9.302 19.427 3.124 1.00 72.40 C ATOM 546 O VAL A 32 9.997 20.377 2.765 1.00 61.33 O ATOM 547 CB VAL A 32 8.313 17.559 1.796 1.00 22.24 C ATOM 548 CG1 VAL A 32 6.999 16.941 1.344 1.00 12.03 C ATOM 549 CG2 VAL A 32 9.332 17.550 0.667 1.00 41.41 C ATOM 0 H VAL A 32 8.672 20.198 0.696 1.00 3.51 H new ATOM 0 HA VAL A 32 7.203 19.011 2.945 1.00 64.21 H new ATOM 0 HB VAL A 32 8.707 16.957 2.615 1.00 22.24 H new ATOM 0 HG11 VAL A 32 7.178 15.928 0.985 1.00 12.03 H new ATOM 0 HG12 VAL A 32 6.303 16.911 2.183 1.00 12.03 H new ATOM 0 HG13 VAL A 32 6.572 17.541 0.540 1.00 12.03 H new ATOM 0 HG21 VAL A 32 9.478 16.528 0.317 1.00 41.41 H new ATOM 0 HG22 VAL A 32 8.969 18.167 -0.155 1.00 41.41 H new ATOM 0 HG23 VAL A 32 10.280 17.949 1.029 1.00 41.41 H new ATOM 559 N SER A 33 9.551 18.722 4.224 1.00 40.55 N ATOM 560 CA SER A 33 10.679 19.036 5.092 1.00 24.34 C ATOM 561 C SER A 33 11.899 18.198 4.722 1.00 45.14 C ATOM 562 O SER A 33 11.772 17.083 4.216 1.00 74.13 O ATOM 563 CB SER A 33 10.306 18.793 6.556 1.00 11.21 C ATOM 564 OG SER A 33 9.700 17.523 6.724 1.00 11.31 O ATOM 0 H SER A 33 8.987 17.931 4.534 1.00 40.55 H new ATOM 0 HA SER A 33 10.927 20.089 4.957 1.00 24.34 H new ATOM 0 HB2 SER A 33 11.199 18.858 7.178 1.00 11.21 H new ATOM 0 HB3 SER A 33 9.624 19.573 6.895 1.00 11.21 H new ATOM 0 HG SER A 33 9.473 17.391 7.668 1.00 11.31 H new ATOM 570 N LYS A 34 13.084 18.744 4.977 1.00 73.11 N ATOM 571 CA LYS A 34 14.329 18.049 4.672 1.00 33.02 C ATOM 572 C LYS A 34 14.336 16.652 5.286 1.00 45.45 C ATOM 573 O LYS A 34 14.853 15.706 4.691 1.00 1.15 O ATOM 574 CB LYS A 34 15.525 18.851 5.190 1.00 54.52 C ATOM 575 CG LYS A 34 15.566 20.280 4.677 1.00 40.52 C ATOM 576 CD LYS A 34 15.141 21.270 5.749 1.00 45.33 C ATOM 577 CE LYS A 34 14.235 22.352 5.181 1.00 44.10 C ATOM 578 NZ LYS A 34 14.010 23.455 6.156 1.00 33.42 N ATOM 0 H LYS A 34 13.208 19.666 5.394 1.00 73.11 H new ATOM 0 HA LYS A 34 14.406 17.952 3.589 1.00 33.02 H new ATOM 0 HB2 LYS A 34 15.498 18.865 6.280 1.00 54.52 H new ATOM 0 HB3 LYS A 34 16.445 18.343 4.901 1.00 54.52 H new ATOM 0 HG2 LYS A 34 16.575 20.518 4.340 1.00 40.52 H new ATOM 0 HG3 LYS A 34 14.910 20.376 3.812 1.00 40.52 H new ATOM 0 HD2 LYS A 34 14.621 20.742 6.548 1.00 45.33 H new ATOM 0 HD3 LYS A 34 16.024 21.729 6.192 1.00 45.33 H new ATOM 0 HE2 LYS A 34 14.679 22.756 4.271 1.00 44.10 H new ATOM 0 HE3 LYS A 34 13.277 21.914 4.901 1.00 44.10 H new ATOM 0 HZ1 LYS A 34 13.388 24.172 5.731 1.00 33.42 H new ATOM 0 HZ2 LYS A 34 13.564 23.074 7.014 1.00 33.42 H new ATOM 0 HZ3 LYS A 34 14.921 23.890 6.404 1.00 33.42 H new ATOM 592 N SER A 35 13.759 16.531 6.477 1.00 62.24 N ATOM 593 CA SER A 35 13.702 15.250 7.171 1.00 31.12 C ATOM 594 C SER A 35 12.874 14.240 6.382 1.00 44.35 C ATOM 595 O SER A 35 13.131 13.037 6.427 1.00 24.35 O ATOM 596 CB SER A 35 13.108 15.430 8.570 1.00 44.23 C ATOM 597 OG SER A 35 13.596 14.443 9.462 1.00 43.21 O ATOM 0 H SER A 35 13.325 17.304 6.981 1.00 62.24 H new ATOM 0 HA SER A 35 14.719 14.869 7.261 1.00 31.12 H new ATOM 0 HB2 SER A 35 13.356 16.422 8.949 1.00 44.23 H new ATOM 0 HB3 SER A 35 12.021 15.371 8.517 1.00 44.23 H new ATOM 0 HG SER A 35 13.203 14.581 10.349 1.00 43.21 H new ATOM 603 N THR A 36 11.878 14.739 5.656 1.00 2.21 N ATOM 604 CA THR A 36 11.011 13.883 4.857 1.00 62.31 C ATOM 605 C THR A 36 11.660 13.536 3.522 1.00 24.51 C ATOM 606 O THR A 36 11.500 12.427 3.012 1.00 21.41 O ATOM 607 CB THR A 36 9.649 14.552 4.594 1.00 72.43 C ATOM 608 OG1 THR A 36 8.996 14.839 5.835 1.00 2.14 O ATOM 609 CG2 THR A 36 8.761 13.655 3.744 1.00 30.10 C ATOM 0 H THR A 36 11.652 15.732 5.605 1.00 2.21 H new ATOM 0 HA THR A 36 10.854 12.969 5.430 1.00 62.31 H new ATOM 0 HB THR A 36 9.824 15.482 4.053 1.00 72.43 H new ATOM 0 HG1 THR A 36 9.237 15.742 6.130 1.00 2.14 H new ATOM 0 HG21 THR A 36 7.804 14.148 3.571 1.00 30.10 H new ATOM 0 HG22 THR A 36 9.248 13.462 2.788 1.00 30.10 H new ATOM 0 HG23 THR A 36 8.594 12.711 4.263 1.00 30.10 H new ATOM 617 N VAL A 37 12.395 14.490 2.960 1.00 0.53 N ATOM 618 CA VAL A 37 13.071 14.285 1.685 1.00 74.42 C ATOM 619 C VAL A 37 14.269 13.356 1.841 1.00 23.34 C ATOM 620 O VAL A 37 14.328 12.291 1.226 1.00 70.14 O ATOM 621 CB VAL A 37 13.545 15.619 1.079 1.00 12.01 C ATOM 622 CG1 VAL A 37 14.302 15.378 -0.218 1.00 30.31 C ATOM 623 CG2 VAL A 37 12.363 16.550 0.851 1.00 23.21 C ATOM 0 H VAL A 37 12.538 15.414 3.368 1.00 0.53 H new ATOM 0 HA VAL A 37 12.345 13.827 1.013 1.00 74.42 H new ATOM 0 HB VAL A 37 14.225 16.097 1.784 1.00 12.01 H new ATOM 0 HG11 VAL A 37 14.629 16.332 -0.631 1.00 30.31 H new ATOM 0 HG12 VAL A 37 15.172 14.751 -0.021 1.00 30.31 H new ATOM 0 HG13 VAL A 37 13.649 14.878 -0.933 1.00 30.31 H new ATOM 0 HG21 VAL A 37 12.716 17.488 0.422 1.00 23.21 H new ATOM 0 HG22 VAL A 37 11.657 16.081 0.166 1.00 23.21 H new ATOM 0 HG23 VAL A 37 11.868 16.749 1.801 1.00 23.21 H new ATOM 633 N HIS A 38 15.224 13.766 2.670 1.00 24.42 N ATOM 634 CA HIS A 38 16.423 12.969 2.909 1.00 12.32 C ATOM 635 C HIS A 38 16.057 11.543 3.308 1.00 74.21 C ATOM 636 O HIS A 38 16.821 10.606 3.075 1.00 72.01 O ATOM 637 CB HIS A 38 17.279 13.612 4.001 1.00 51.54 C ATOM 638 CG HIS A 38 18.435 14.402 3.468 1.00 70.43 C ATOM 639 ND1 HIS A 38 18.896 15.557 4.063 1.00 22.54 N ATOM 640 CD2 HIS A 38 19.226 14.195 2.389 1.00 55.14 C ATOM 641 CE1 HIS A 38 19.919 16.027 3.373 1.00 42.22 C ATOM 642 NE2 HIS A 38 20.140 15.219 2.352 1.00 53.14 N ATOM 0 H HIS A 38 15.191 14.645 3.187 1.00 24.42 H new ATOM 0 HA HIS A 38 16.996 12.933 1.982 1.00 12.32 H new ATOM 0 HB2 HIS A 38 16.651 14.266 4.606 1.00 51.54 H new ATOM 0 HB3 HIS A 38 17.657 12.832 4.662 1.00 51.54 H new ATOM 0 HD1 HIS A 38 18.507 15.982 4.905 1.00 22.54 H new ATOM 0 HD2 HIS A 38 19.152 13.377 1.688 1.00 55.14 H new ATOM 0 HE1 HIS A 38 20.480 16.921 3.604 1.00 42.22 H new ATOM 650 N LYS A 39 14.883 11.385 3.911 1.00 62.11 N ATOM 651 CA LYS A 39 14.414 10.073 4.342 1.00 3.41 C ATOM 652 C LYS A 39 14.320 9.114 3.160 1.00 31.22 C ATOM 653 O LYS A 39 14.864 8.010 3.200 1.00 50.14 O ATOM 654 CB LYS A 39 13.050 10.196 5.024 1.00 74.43 C ATOM 655 CG LYS A 39 12.406 8.857 5.341 1.00 23.23 C ATOM 656 CD LYS A 39 11.110 9.031 6.115 1.00 23.53 C ATOM 657 CE LYS A 39 11.107 8.201 7.390 1.00 73.41 C ATOM 658 NZ LYS A 39 10.385 6.910 7.210 1.00 41.54 N ATOM 0 H LYS A 39 14.239 12.150 4.112 1.00 62.11 H new ATOM 0 HA LYS A 39 15.135 9.672 5.055 1.00 3.41 H new ATOM 0 HB2 LYS A 39 13.165 10.762 5.948 1.00 74.43 H new ATOM 0 HB3 LYS A 39 12.382 10.768 4.381 1.00 74.43 H new ATOM 0 HG2 LYS A 39 12.208 8.319 4.414 1.00 23.23 H new ATOM 0 HG3 LYS A 39 13.099 8.247 5.921 1.00 23.23 H new ATOM 0 HD2 LYS A 39 10.972 10.083 6.364 1.00 23.53 H new ATOM 0 HD3 LYS A 39 10.268 8.739 5.487 1.00 23.53 H new ATOM 0 HE2 LYS A 39 12.134 8.003 7.697 1.00 73.41 H new ATOM 0 HE3 LYS A 39 10.639 8.770 8.193 1.00 73.41 H new ATOM 0 HZ1 LYS A 39 10.405 6.374 8.101 1.00 41.54 H new ATOM 0 HZ2 LYS A 39 9.398 7.099 6.942 1.00 41.54 H new ATOM 0 HZ3 LYS A 39 10.847 6.355 6.461 1.00 41.54 H new ATOM 672 N ASP A 40 13.628 9.542 2.110 1.00 32.03 N ATOM 673 CA ASP A 40 13.465 8.721 0.916 1.00 54.52 C ATOM 674 C ASP A 40 14.677 8.850 -0.001 1.00 72.04 C ATOM 675 O ASP A 40 15.079 7.887 -0.656 1.00 33.34 O ATOM 676 CB ASP A 40 12.195 9.125 0.164 1.00 64.34 C ATOM 677 CG ASP A 40 10.934 8.688 0.882 1.00 55.32 C ATOM 678 OD1 ASP A 40 11.019 7.776 1.731 1.00 51.13 O ATOM 679 OD2 ASP A 40 9.861 9.260 0.596 1.00 72.44 O ATOM 0 H ASP A 40 13.171 10.453 2.061 1.00 32.03 H new ATOM 0 HA ASP A 40 13.378 7.680 1.229 1.00 54.52 H new ATOM 0 HB2 ASP A 40 12.180 10.207 0.036 1.00 64.34 H new ATOM 0 HB3 ASP A 40 12.212 8.687 -0.834 1.00 64.34 H new ATOM 684 N LEU A 41 15.255 10.045 -0.045 1.00 52.25 N ATOM 685 CA LEU A 41 16.421 10.301 -0.884 1.00 21.33 C ATOM 686 C LEU A 41 17.578 9.384 -0.501 1.00 24.15 C ATOM 687 O LEU A 41 18.511 9.184 -1.279 1.00 60.24 O ATOM 688 CB LEU A 41 16.852 11.763 -0.760 1.00 52.34 C ATOM 689 CG LEU A 41 16.166 12.747 -1.709 1.00 44.14 C ATOM 690 CD1 LEU A 41 16.950 12.871 -3.007 1.00 31.20 C ATOM 691 CD2 LEU A 41 14.735 12.311 -1.988 1.00 24.42 C ATOM 0 H LEU A 41 14.936 10.852 0.490 1.00 52.25 H new ATOM 0 HA LEU A 41 16.146 10.096 -1.919 1.00 21.33 H new ATOM 0 HB2 LEU A 41 16.670 12.089 0.264 1.00 52.34 H new ATOM 0 HB3 LEU A 41 17.928 11.819 -0.926 1.00 52.34 H new ATOM 0 HG LEU A 41 16.139 13.725 -1.229 1.00 44.14 H new ATOM 0 HD11 LEU A 41 16.447 13.575 -3.670 1.00 31.20 H new ATOM 0 HD12 LEU A 41 17.956 13.231 -2.791 1.00 31.20 H new ATOM 0 HD13 LEU A 41 17.009 11.896 -3.491 1.00 31.20 H new ATOM 0 HD21 LEU A 41 14.263 13.023 -2.665 1.00 24.42 H new ATOM 0 HD22 LEU A 41 14.739 11.322 -2.447 1.00 24.42 H new ATOM 0 HD23 LEU A 41 14.177 12.275 -1.053 1.00 24.42 H new ATOM 703 N THR A 42 17.511 8.827 0.705 1.00 62.54 N ATOM 704 CA THR A 42 18.552 7.930 1.191 1.00 2.12 C ATOM 705 C THR A 42 18.001 6.530 1.437 1.00 4.23 C ATOM 706 O THR A 42 18.719 5.644 1.901 1.00 52.34 O ATOM 707 CB THR A 42 19.184 8.457 2.494 1.00 52.25 C ATOM 708 OG1 THR A 42 18.224 8.415 3.555 1.00 1.34 O ATOM 709 CG2 THR A 42 19.686 9.882 2.313 1.00 25.43 C ATOM 0 H THR A 42 16.747 8.982 1.362 1.00 62.54 H new ATOM 0 HA THR A 42 19.318 7.885 0.416 1.00 2.12 H new ATOM 0 HB THR A 42 20.031 7.819 2.746 1.00 52.25 H new ATOM 0 HG1 THR A 42 17.536 9.096 3.401 1.00 1.34 H new ATOM 0 HG21 THR A 42 20.128 10.233 3.245 1.00 25.43 H new ATOM 0 HG22 THR A 42 20.437 9.906 1.524 1.00 25.43 H new ATOM 0 HG23 THR A 42 18.853 10.529 2.040 1.00 25.43 H new ATOM 717 N GLU A 43 16.724 6.338 1.123 1.00 11.15 N ATOM 718 CA GLU A 43 16.078 5.044 1.311 1.00 1.43 C ATOM 719 C GLU A 43 15.523 4.517 -0.008 1.00 75.14 C ATOM 720 O GLU A 43 16.075 3.589 -0.600 1.00 40.42 O ATOM 721 CB GLU A 43 14.953 5.156 2.343 1.00 62.14 C ATOM 722 CG GLU A 43 15.448 5.235 3.777 1.00 41.10 C ATOM 723 CD GLU A 43 15.696 3.868 4.385 1.00 52.21 C ATOM 724 OE1 GLU A 43 16.401 3.056 3.752 1.00 64.42 O ATOM 725 OE2 GLU A 43 15.184 3.612 5.495 1.00 74.42 O ATOM 0 H GLU A 43 16.117 7.061 0.738 1.00 11.15 H new ATOM 0 HA GLU A 43 16.827 4.342 1.676 1.00 1.43 H new ATOM 0 HB2 GLU A 43 14.357 6.042 2.124 1.00 62.14 H new ATOM 0 HB3 GLU A 43 14.292 4.295 2.243 1.00 62.14 H new ATOM 0 HG2 GLU A 43 16.371 5.815 3.807 1.00 41.10 H new ATOM 0 HG3 GLU A 43 14.715 5.770 4.381 1.00 41.10 H new ATOM 732 N ARG A 44 14.426 5.114 -0.463 1.00 50.51 N ATOM 733 CA ARG A 44 13.794 4.704 -1.711 1.00 40.43 C ATOM 734 C ARG A 44 14.647 5.108 -2.911 1.00 14.24 C ATOM 735 O ARG A 44 14.905 4.299 -3.803 1.00 10.22 O ATOM 736 CB ARG A 44 12.401 5.325 -1.830 1.00 72.12 C ATOM 737 CG ARG A 44 11.368 4.684 -0.918 1.00 24.54 C ATOM 738 CD ARG A 44 10.283 3.977 -1.714 1.00 70.24 C ATOM 739 NE ARG A 44 10.711 2.657 -2.171 1.00 53.34 N ATOM 740 CZ ARG A 44 10.714 1.577 -1.398 1.00 54.13 C ATOM 741 NH1 ARG A 44 10.313 1.659 -0.137 1.00 42.50 N ATOM 742 NH2 ARG A 44 11.117 0.411 -1.887 1.00 0.22 N ATOM 0 H ARG A 44 13.957 5.883 0.014 1.00 50.51 H new ATOM 0 HA ARG A 44 13.701 3.618 -1.702 1.00 40.43 H new ATOM 0 HB2 ARG A 44 12.466 6.389 -1.600 1.00 72.12 H new ATOM 0 HB3 ARG A 44 12.063 5.242 -2.863 1.00 72.12 H new ATOM 0 HG2 ARG A 44 11.859 3.970 -0.256 1.00 24.54 H new ATOM 0 HG3 ARG A 44 10.917 5.448 -0.285 1.00 24.54 H new ATOM 0 HD2 ARG A 44 9.390 3.875 -1.098 1.00 70.24 H new ATOM 0 HD3 ARG A 44 10.009 4.587 -2.575 1.00 70.24 H new ATOM 0 HE ARG A 44 11.025 2.560 -3.137 1.00 53.34 H new ATOM 0 HH11 ARG A 44 10.001 2.553 0.242 1.00 42.50 H new ATOM 0 HH12 ARG A 44 10.316 0.828 0.454 1.00 42.50 H new ATOM 0 HH21 ARG A 44 11.425 0.344 -2.857 1.00 0.22 H new ATOM 0 HH22 ARG A 44 11.119 -0.418 -1.293 1.00 0.22 H new ATOM 756 N LEU A 45 15.080 6.364 -2.926 1.00 21.34 N ATOM 757 CA LEU A 45 15.903 6.876 -4.016 1.00 24.14 C ATOM 758 C LEU A 45 16.993 5.876 -4.391 1.00 54.33 C ATOM 759 O LEU A 45 17.087 5.423 -5.532 1.00 52.32 O ATOM 760 CB LEU A 45 16.536 8.211 -3.619 1.00 55.44 C ATOM 761 CG LEU A 45 17.866 8.550 -4.293 1.00 11.31 C ATOM 762 CD1 LEU A 45 17.767 8.356 -5.798 1.00 30.00 C ATOM 763 CD2 LEU A 45 18.282 9.976 -3.964 1.00 3.44 C ATOM 0 H LEU A 45 14.875 7.046 -2.196 1.00 21.34 H new ATOM 0 HA LEU A 45 15.261 7.028 -4.883 1.00 24.14 H new ATOM 0 HB2 LEU A 45 15.826 9.007 -3.841 1.00 55.44 H new ATOM 0 HB3 LEU A 45 16.688 8.211 -2.540 1.00 55.44 H new ATOM 0 HG LEU A 45 18.629 7.872 -3.909 1.00 11.31 H new ATOM 0 HD11 LEU A 45 18.723 8.602 -6.260 1.00 30.00 H new ATOM 0 HD12 LEU A 45 17.515 7.318 -6.015 1.00 30.00 H new ATOM 0 HD13 LEU A 45 16.992 9.009 -6.199 1.00 30.00 H new ATOM 0 HD21 LEU A 45 19.231 10.200 -4.452 1.00 3.44 H new ATOM 0 HD22 LEU A 45 17.519 10.669 -4.319 1.00 3.44 H new ATOM 0 HD23 LEU A 45 18.395 10.082 -2.885 1.00 3.44 H new ATOM 775 N PRO A 46 17.835 5.521 -3.410 1.00 12.55 N ATOM 776 CA PRO A 46 18.931 4.569 -3.612 1.00 52.43 C ATOM 777 C PRO A 46 18.429 3.146 -3.830 1.00 64.10 C ATOM 778 O PRO A 46 19.041 2.369 -4.562 1.00 74.33 O ATOM 779 CB PRO A 46 19.727 4.662 -2.308 1.00 41.33 C ATOM 780 CG PRO A 46 18.739 5.123 -1.293 1.00 41.41 C ATOM 781 CD PRO A 46 17.781 6.022 -2.026 1.00 24.14 C ATOM 0 HA PRO A 46 19.516 4.803 -4.501 1.00 52.43 H new ATOM 0 HB2 PRO A 46 20.154 3.697 -2.035 1.00 41.33 H new ATOM 0 HB3 PRO A 46 20.557 5.363 -2.400 1.00 41.33 H new ATOM 0 HG2 PRO A 46 18.216 4.278 -0.845 1.00 41.41 H new ATOM 0 HG3 PRO A 46 19.233 5.658 -0.482 1.00 41.41 H new ATOM 0 HD2 PRO A 46 16.774 5.957 -1.614 1.00 24.14 H new ATOM 0 HD3 PRO A 46 18.084 7.067 -1.965 1.00 24.14 H new ATOM 789 N GLU A 47 17.313 2.812 -3.190 1.00 23.04 N ATOM 790 CA GLU A 47 16.731 1.481 -3.314 1.00 70.02 C ATOM 791 C GLU A 47 16.305 1.206 -4.754 1.00 24.24 C ATOM 792 O GLU A 47 16.531 0.116 -5.281 1.00 45.42 O ATOM 793 CB GLU A 47 15.529 1.336 -2.379 1.00 13.41 C ATOM 794 CG GLU A 47 15.878 0.738 -1.026 1.00 41.54 C ATOM 795 CD GLU A 47 15.836 -0.777 -1.030 1.00 71.33 C ATOM 796 OE1 GLU A 47 14.723 -1.341 -0.983 1.00 55.43 O ATOM 797 OE2 GLU A 47 16.917 -1.400 -1.081 1.00 23.14 O ATOM 0 H GLU A 47 16.794 3.444 -2.581 1.00 23.04 H new ATOM 0 HA GLU A 47 17.491 0.752 -3.032 1.00 70.02 H new ATOM 0 HB2 GLU A 47 15.077 2.316 -2.228 1.00 13.41 H new ATOM 0 HB3 GLU A 47 14.778 0.710 -2.861 1.00 13.41 H new ATOM 0 HG2 GLU A 47 16.874 1.069 -0.732 1.00 41.54 H new ATOM 0 HG3 GLU A 47 15.183 1.115 -0.276 1.00 41.54 H new ATOM 804 N ILE A 48 15.688 2.200 -5.382 1.00 41.51 N ATOM 805 CA ILE A 48 15.231 2.066 -6.760 1.00 5.32 C ATOM 806 C ILE A 48 16.304 2.526 -7.742 1.00 13.43 C ATOM 807 O ILE A 48 16.341 2.083 -8.888 1.00 71.34 O ATOM 808 CB ILE A 48 13.944 2.874 -7.007 1.00 51.33 C ATOM 809 CG1 ILE A 48 14.134 4.326 -6.564 1.00 12.31 C ATOM 810 CG2 ILE A 48 12.771 2.240 -6.274 1.00 64.13 C ATOM 811 CD1 ILE A 48 13.673 5.337 -7.591 1.00 21.12 C ATOM 0 H ILE A 48 15.493 3.107 -4.959 1.00 41.51 H new ATOM 0 HA ILE A 48 15.023 1.008 -6.922 1.00 5.32 H new ATOM 0 HB ILE A 48 13.727 2.865 -8.075 1.00 51.33 H new ATOM 0 HG12 ILE A 48 13.587 4.488 -5.635 1.00 12.31 H new ATOM 0 HG13 ILE A 48 15.189 4.496 -6.347 1.00 12.31 H new ATOM 0 HG21 ILE A 48 11.869 2.823 -6.459 1.00 64.13 H new ATOM 0 HG22 ILE A 48 12.625 1.221 -6.634 1.00 64.13 H new ATOM 0 HG23 ILE A 48 12.978 2.221 -5.204 1.00 64.13 H new ATOM 0 HD11 ILE A 48 13.838 6.345 -7.209 1.00 21.12 H new ATOM 0 HD12 ILE A 48 14.237 5.202 -8.514 1.00 21.12 H new ATOM 0 HD13 ILE A 48 12.611 5.194 -7.791 1.00 21.12 H new ATOM 823 N ASN A 49 17.176 3.418 -7.282 1.00 53.02 N ATOM 824 CA ASN A 49 18.250 3.938 -8.120 1.00 25.23 C ATOM 825 C ASN A 49 19.471 4.296 -7.278 1.00 2.52 C ATOM 826 O ASN A 49 19.547 5.366 -6.673 1.00 51.55 O ATOM 827 CB ASN A 49 17.772 5.167 -8.894 1.00 42.55 C ATOM 828 CG ASN A 49 17.088 4.800 -10.197 1.00 42.12 C ATOM 829 OD1 ASN A 49 15.967 4.292 -10.201 1.00 13.44 O ATOM 830 ND2 ASN A 49 17.763 5.056 -11.312 1.00 60.50 N ATOM 0 H ASN A 49 17.160 3.795 -6.334 1.00 53.02 H new ATOM 0 HA ASN A 49 18.534 3.160 -8.828 1.00 25.23 H new ATOM 0 HB2 ASN A 49 17.082 5.738 -8.273 1.00 42.55 H new ATOM 0 HB3 ASN A 49 18.623 5.815 -9.104 1.00 42.55 H new ATOM 0 HD21 ASN A 49 17.354 4.830 -12.219 1.00 60.50 H new ATOM 0 HD22 ASN A 49 18.690 5.478 -11.261 1.00 60.50 H new ATOM 837 N PRO A 50 20.451 3.381 -7.237 1.00 1.53 N ATOM 838 CA PRO A 50 21.687 3.579 -6.473 1.00 70.14 C ATOM 839 C PRO A 50 22.581 4.652 -7.085 1.00 61.13 C ATOM 840 O PRO A 50 23.173 5.462 -6.371 1.00 73.33 O ATOM 841 CB PRO A 50 22.369 2.211 -6.543 1.00 64.53 C ATOM 842 CG PRO A 50 21.840 1.586 -7.788 1.00 12.11 C ATOM 843 CD PRO A 50 20.428 2.084 -7.933 1.00 22.15 C ATOM 0 HA PRO A 50 21.488 3.920 -5.457 1.00 70.14 H new ATOM 0 HB2 PRO A 50 23.454 2.311 -6.581 1.00 64.53 H new ATOM 0 HB3 PRO A 50 22.135 1.607 -5.667 1.00 64.53 H new ATOM 0 HG2 PRO A 50 22.443 1.866 -8.652 1.00 12.11 H new ATOM 0 HG3 PRO A 50 21.865 0.498 -7.720 1.00 12.11 H new ATOM 0 HD2 PRO A 50 20.146 2.195 -8.980 1.00 22.15 H new ATOM 0 HD3 PRO A 50 19.711 1.398 -7.481 1.00 22.15 H new ATOM 851 N ASP A 51 22.674 4.652 -8.410 1.00 45.44 N ATOM 852 CA ASP A 51 23.496 5.628 -9.119 1.00 34.53 C ATOM 853 C ASP A 51 23.006 7.047 -8.850 1.00 42.33 C ATOM 854 O ASP A 51 23.789 7.928 -8.491 1.00 21.21 O ATOM 855 CB ASP A 51 23.479 5.345 -10.622 1.00 33.43 C ATOM 856 CG ASP A 51 24.807 4.817 -11.126 1.00 63.34 C ATOM 857 OD1 ASP A 51 25.066 3.607 -10.960 1.00 60.43 O ATOM 858 OD2 ASP A 51 25.589 5.614 -11.687 1.00 13.04 O ATOM 0 H ASP A 51 22.191 3.988 -9.015 1.00 45.44 H new ATOM 0 HA ASP A 51 24.519 5.540 -8.753 1.00 34.53 H new ATOM 0 HB2 ASP A 51 22.695 4.620 -10.844 1.00 33.43 H new ATOM 0 HB3 ASP A 51 23.228 6.260 -11.158 1.00 33.43 H new ATOM 863 N LEU A 52 21.708 7.263 -9.028 1.00 14.31 N ATOM 864 CA LEU A 52 21.113 8.577 -8.806 1.00 21.12 C ATOM 865 C LEU A 52 21.281 9.012 -7.354 1.00 11.04 C ATOM 866 O LEU A 52 21.475 10.193 -7.068 1.00 4.13 O ATOM 867 CB LEU A 52 19.629 8.556 -9.176 1.00 31.25 C ATOM 868 CG LEU A 52 19.125 9.742 -9.999 1.00 65.21 C ATOM 869 CD1 LEU A 52 19.559 9.606 -11.450 1.00 43.44 C ATOM 870 CD2 LEU A 52 17.611 9.854 -9.901 1.00 40.35 C ATOM 0 H LEU A 52 21.047 6.546 -9.325 1.00 14.31 H new ATOM 0 HA LEU A 52 21.629 9.295 -9.443 1.00 21.12 H new ATOM 0 HB2 LEU A 52 19.427 7.641 -9.733 1.00 31.25 H new ATOM 0 HB3 LEU A 52 19.047 8.504 -8.256 1.00 31.25 H new ATOM 0 HG LEU A 52 19.563 10.654 -9.594 1.00 65.21 H new ATOM 0 HD11 LEU A 52 19.192 10.459 -12.021 1.00 43.44 H new ATOM 0 HD12 LEU A 52 20.647 9.576 -11.503 1.00 43.44 H new ATOM 0 HD13 LEU A 52 19.150 8.686 -11.868 1.00 43.44 H new ATOM 0 HD21 LEU A 52 17.270 10.703 -10.493 1.00 40.35 H new ATOM 0 HD22 LEU A 52 17.153 8.940 -10.280 1.00 40.35 H new ATOM 0 HD23 LEU A 52 17.324 9.999 -8.860 1.00 40.35 H new ATOM 882 N ALA A 53 21.206 8.049 -6.440 1.00 45.34 N ATOM 883 CA ALA A 53 21.354 8.332 -5.018 1.00 44.32 C ATOM 884 C ALA A 53 22.678 9.034 -4.733 1.00 11.11 C ATOM 885 O ALA A 53 22.811 9.748 -3.740 1.00 22.33 O ATOM 886 CB ALA A 53 21.252 7.047 -4.211 1.00 34.12 C ATOM 0 H ALA A 53 21.044 7.066 -6.660 1.00 45.34 H new ATOM 0 HA ALA A 53 20.546 9.001 -4.720 1.00 44.32 H new ATOM 0 HB1 ALA A 53 21.364 7.273 -3.151 1.00 34.12 H new ATOM 0 HB2 ALA A 53 20.279 6.586 -4.383 1.00 34.12 H new ATOM 0 HB3 ALA A 53 22.039 6.359 -4.521 1.00 34.12 H new ATOM 892 N ASN A 54 23.654 8.825 -5.610 1.00 42.53 N ATOM 893 CA ASN A 54 24.968 9.437 -5.451 1.00 44.52 C ATOM 894 C ASN A 54 24.909 10.935 -5.737 1.00 2.03 C ATOM 895 O ASN A 54 25.599 11.726 -5.095 1.00 44.43 O ATOM 896 CB ASN A 54 25.981 8.769 -6.383 1.00 24.02 C ATOM 897 CG ASN A 54 27.140 8.148 -5.627 1.00 31.43 C ATOM 898 OD1 ASN A 54 27.739 8.780 -4.757 1.00 14.42 O ATOM 899 ND2 ASN A 54 27.461 6.902 -5.956 1.00 42.04 N ATOM 0 H ASN A 54 23.560 8.237 -6.438 1.00 42.53 H new ATOM 0 HA ASN A 54 25.285 9.294 -4.418 1.00 44.52 H new ATOM 0 HB2 ASN A 54 25.479 7.999 -6.969 1.00 24.02 H new ATOM 0 HB3 ASN A 54 26.364 9.507 -7.088 1.00 24.02 H new ATOM 0 HD21 ASN A 54 28.231 6.431 -5.481 1.00 42.04 H new ATOM 0 HD22 ASN A 54 26.937 6.416 -6.684 1.00 42.04 H new ATOM 906 N GLU A 55 24.079 11.315 -6.703 1.00 44.51 N ATOM 907 CA GLU A 55 23.931 12.718 -7.073 1.00 54.11 C ATOM 908 C GLU A 55 23.642 13.577 -5.845 1.00 61.02 C ATOM 909 O GLU A 55 24.371 14.524 -5.551 1.00 41.41 O ATOM 910 CB GLU A 55 22.807 12.882 -8.099 1.00 20.52 C ATOM 911 CG GLU A 55 22.918 11.932 -9.280 1.00 31.34 C ATOM 912 CD GLU A 55 22.069 12.365 -10.459 1.00 1.41 C ATOM 913 OE1 GLU A 55 21.026 13.013 -10.232 1.00 13.24 O ATOM 914 OE2 GLU A 55 22.447 12.057 -11.608 1.00 45.22 O ATOM 0 H GLU A 55 23.500 10.672 -7.243 1.00 44.51 H new ATOM 0 HA GLU A 55 24.870 13.051 -7.516 1.00 54.11 H new ATOM 0 HB2 GLU A 55 21.849 12.723 -7.604 1.00 20.52 H new ATOM 0 HB3 GLU A 55 22.809 13.908 -8.467 1.00 20.52 H new ATOM 0 HG2 GLU A 55 23.960 11.867 -9.592 1.00 31.34 H new ATOM 0 HG3 GLU A 55 22.616 10.933 -8.967 1.00 31.34 H new ATOM 921 N VAL A 56 22.573 13.239 -5.132 1.00 34.12 N ATOM 922 CA VAL A 56 22.187 13.978 -3.935 1.00 72.45 C ATOM 923 C VAL A 56 23.249 13.857 -2.848 1.00 71.55 C ATOM 924 O VAL A 56 23.384 14.734 -1.996 1.00 11.41 O ATOM 925 CB VAL A 56 20.839 13.481 -3.379 1.00 24.40 C ATOM 926 CG1 VAL A 56 20.896 11.987 -3.097 1.00 62.12 C ATOM 927 CG2 VAL A 56 20.464 14.254 -2.124 1.00 53.22 C ATOM 0 H VAL A 56 21.958 12.458 -5.362 1.00 34.12 H new ATOM 0 HA VAL A 56 22.088 15.024 -4.227 1.00 72.45 H new ATOM 0 HB VAL A 56 20.069 13.656 -4.130 1.00 24.40 H new ATOM 0 HG11 VAL A 56 19.935 11.654 -2.705 1.00 62.12 H new ATOM 0 HG12 VAL A 56 21.117 11.451 -4.020 1.00 62.12 H new ATOM 0 HG13 VAL A 56 21.677 11.785 -2.364 1.00 62.12 H new ATOM 0 HG21 VAL A 56 19.509 13.890 -1.744 1.00 53.22 H new ATOM 0 HG22 VAL A 56 21.234 14.112 -1.366 1.00 53.22 H new ATOM 0 HG23 VAL A 56 20.380 15.314 -2.361 1.00 53.22 H new ATOM 937 N LYS A 57 24.002 12.763 -2.884 1.00 63.45 N ATOM 938 CA LYS A 57 25.055 12.525 -1.904 1.00 1.51 C ATOM 939 C LYS A 57 26.270 13.404 -2.186 1.00 54.14 C ATOM 940 O LYS A 57 27.001 13.779 -1.271 1.00 2.10 O ATOM 941 CB LYS A 57 25.466 11.051 -1.913 1.00 13.35 C ATOM 942 CG LYS A 57 26.781 10.782 -1.202 1.00 50.12 C ATOM 943 CD LYS A 57 26.726 11.210 0.255 1.00 74.02 C ATOM 944 CE LYS A 57 25.781 10.330 1.059 1.00 71.33 C ATOM 945 NZ LYS A 57 26.519 9.398 1.956 1.00 42.13 N ATOM 0 H LYS A 57 23.902 12.026 -3.582 1.00 63.45 H new ATOM 0 HA LYS A 57 24.664 12.781 -0.919 1.00 1.51 H new ATOM 0 HB2 LYS A 57 24.680 10.461 -1.442 1.00 13.35 H new ATOM 0 HB3 LYS A 57 25.545 10.711 -2.946 1.00 13.35 H new ATOM 0 HG2 LYS A 57 27.017 9.719 -1.261 1.00 50.12 H new ATOM 0 HG3 LYS A 57 27.585 11.316 -1.709 1.00 50.12 H new ATOM 0 HD2 LYS A 57 27.725 11.162 0.687 1.00 74.02 H new ATOM 0 HD3 LYS A 57 26.400 12.248 0.318 1.00 74.02 H new ATOM 0 HE2 LYS A 57 25.118 10.958 1.654 1.00 71.33 H new ATOM 0 HE3 LYS A 57 25.151 9.757 0.379 1.00 71.33 H new ATOM 0 HZ1 LYS A 57 25.840 8.816 2.486 1.00 42.13 H new ATOM 0 HZ2 LYS A 57 27.133 8.781 1.386 1.00 42.13 H new ATOM 0 HZ3 LYS A 57 27.100 9.945 2.622 1.00 42.13 H new ATOM 959 N GLU A 58 26.476 13.729 -3.459 1.00 2.22 N ATOM 960 CA GLU A 58 27.602 14.564 -3.860 1.00 1.51 C ATOM 961 C GLU A 58 27.483 15.963 -3.260 1.00 71.25 C ATOM 962 O GLU A 58 28.403 16.447 -2.601 1.00 31.04 O ATOM 963 CB GLU A 58 27.680 14.656 -5.385 1.00 54.53 C ATOM 964 CG GLU A 58 28.204 13.393 -6.045 1.00 64.54 C ATOM 965 CD GLU A 58 28.815 13.656 -7.408 1.00 51.41 C ATOM 966 OE1 GLU A 58 29.503 14.687 -7.561 1.00 52.12 O ATOM 967 OE2 GLU A 58 28.604 12.831 -8.322 1.00 5.14 O ATOM 0 H GLU A 58 25.879 13.427 -4.229 1.00 2.22 H new ATOM 0 HA GLU A 58 28.515 14.103 -3.484 1.00 1.51 H new ATOM 0 HB2 GLU A 58 26.688 14.876 -5.778 1.00 54.53 H new ATOM 0 HB3 GLU A 58 28.324 15.492 -5.658 1.00 54.53 H new ATOM 0 HG2 GLU A 58 28.952 12.933 -5.399 1.00 64.54 H new ATOM 0 HG3 GLU A 58 27.389 12.677 -6.149 1.00 64.54 H new ATOM 974 N ILE A 59 26.344 16.606 -3.496 1.00 21.44 N ATOM 975 CA ILE A 59 26.104 17.947 -2.979 1.00 42.30 C ATOM 976 C ILE A 59 26.212 17.978 -1.458 1.00 41.33 C ATOM 977 O ILE A 59 26.633 18.978 -0.875 1.00 3.11 O ATOM 978 CB ILE A 59 24.717 18.471 -3.395 1.00 33.13 C ATOM 979 CG1 ILE A 59 23.622 17.520 -2.906 1.00 55.52 C ATOM 980 CG2 ILE A 59 24.645 18.639 -4.905 1.00 53.00 C ATOM 981 CD1 ILE A 59 22.223 17.981 -3.253 1.00 20.00 C ATOM 0 H ILE A 59 25.574 16.220 -4.042 1.00 21.44 H new ATOM 0 HA ILE A 59 26.871 18.592 -3.408 1.00 42.30 H new ATOM 0 HB ILE A 59 24.559 19.446 -2.933 1.00 33.13 H new ATOM 0 HG12 ILE A 59 23.789 16.534 -3.339 1.00 55.52 H new ATOM 0 HG13 ILE A 59 23.702 17.411 -1.824 1.00 55.52 H new ATOM 0 HG21 ILE A 59 23.659 19.010 -5.183 1.00 53.00 H new ATOM 0 HG22 ILE A 59 25.405 19.350 -5.229 1.00 53.00 H new ATOM 0 HG23 ILE A 59 24.820 17.677 -5.387 1.00 53.00 H new ATOM 0 HD11 ILE A 59 21.498 17.259 -2.876 1.00 20.00 H new ATOM 0 HD12 ILE A 59 22.037 18.954 -2.798 1.00 20.00 H new ATOM 0 HD13 ILE A 59 22.125 18.062 -4.336 1.00 20.00 H new ATOM 993 N LEU A 60 25.831 16.877 -0.821 1.00 71.32 N ATOM 994 CA LEU A 60 25.887 16.776 0.633 1.00 35.11 C ATOM 995 C LEU A 60 27.313 16.969 1.138 1.00 32.02 C ATOM 996 O LEU A 60 27.549 17.710 2.093 1.00 70.14 O ATOM 997 CB LEU A 60 25.351 15.418 1.091 1.00 53.23 C ATOM 998 CG LEU A 60 23.829 15.286 1.160 1.00 71.24 C ATOM 999 CD1 LEU A 60 23.434 13.885 1.600 1.00 64.42 C ATOM 1000 CD2 LEU A 60 23.245 16.327 2.103 1.00 41.41 C ATOM 0 H LEU A 60 25.480 16.041 -1.288 1.00 71.32 H new ATOM 0 HA LEU A 60 25.263 17.566 1.051 1.00 35.11 H new ATOM 0 HB2 LEU A 60 25.732 14.653 0.415 1.00 53.23 H new ATOM 0 HB3 LEU A 60 25.760 15.203 2.078 1.00 53.23 H new ATOM 0 HG LEU A 60 23.423 15.460 0.163 1.00 71.24 H new ATOM 0 HD11 LEU A 60 22.347 13.810 1.643 1.00 64.42 H new ATOM 0 HD12 LEU A 60 23.820 13.157 0.886 1.00 64.42 H new ATOM 0 HD13 LEU A 60 23.851 13.682 2.586 1.00 64.42 H new ATOM 0 HD21 LEU A 60 22.161 16.218 2.139 1.00 41.41 H new ATOM 0 HD22 LEU A 60 23.658 16.185 3.102 1.00 41.41 H new ATOM 0 HD23 LEU A 60 23.497 17.325 1.744 1.00 41.41 H new ATOM 1012 N ASP A 61 28.260 16.299 0.490 1.00 12.45 N ATOM 1013 CA ASP A 61 29.664 16.400 0.872 1.00 71.34 C ATOM 1014 C ASP A 61 30.159 17.837 0.748 1.00 0.32 C ATOM 1015 O ASP A 61 31.101 18.241 1.430 1.00 24.33 O ATOM 1016 CB ASP A 61 30.518 15.477 0.001 1.00 31.41 C ATOM 1017 CG ASP A 61 31.942 15.356 0.508 1.00 15.22 C ATOM 1018 OD1 ASP A 61 32.121 15.039 1.702 1.00 14.25 O ATOM 1019 OD2 ASP A 61 32.877 15.580 -0.289 1.00 74.11 O ATOM 0 H ASP A 61 28.081 15.681 -0.301 1.00 12.45 H new ATOM 0 HA ASP A 61 29.755 16.092 1.914 1.00 71.34 H new ATOM 0 HB2 ASP A 61 30.062 14.488 -0.031 1.00 31.41 H new ATOM 0 HB3 ASP A 61 30.530 15.856 -1.021 1.00 31.41 H new ATOM 1024 N TYR A 62 29.519 18.605 -0.126 1.00 54.13 N ATOM 1025 CA TYR A 62 29.896 19.997 -0.342 1.00 22.21 C ATOM 1026 C TYR A 62 29.201 20.912 0.661 1.00 34.35 C ATOM 1027 O TYR A 62 29.691 21.998 0.973 1.00 75.31 O ATOM 1028 CB TYR A 62 29.548 20.427 -1.768 1.00 34.31 C ATOM 1029 CG TYR A 62 29.459 21.926 -1.944 1.00 31.22 C ATOM 1030 CD1 TYR A 62 30.590 22.726 -1.838 1.00 71.24 C ATOM 1031 CD2 TYR A 62 28.244 22.542 -2.216 1.00 53.24 C ATOM 1032 CE1 TYR A 62 30.513 24.096 -1.998 1.00 22.24 C ATOM 1033 CE2 TYR A 62 28.158 23.911 -2.379 1.00 12.43 C ATOM 1034 CZ TYR A 62 29.295 24.684 -2.268 1.00 21.12 C ATOM 1035 OH TYR A 62 29.215 26.048 -2.428 1.00 52.25 O ATOM 0 H TYR A 62 28.736 18.287 -0.697 1.00 54.13 H new ATOM 0 HA TYR A 62 30.973 20.081 -0.197 1.00 22.21 H new ATOM 0 HB2 TYR A 62 30.301 20.034 -2.451 1.00 34.31 H new ATOM 0 HB3 TYR A 62 28.595 19.979 -2.051 1.00 34.31 H new ATOM 0 HD1 TYR A 62 31.546 22.269 -1.627 1.00 71.24 H new ATOM 0 HD2 TYR A 62 27.351 21.940 -2.302 1.00 53.24 H new ATOM 0 HE1 TYR A 62 31.402 24.703 -1.912 1.00 22.24 H new ATOM 0 HE2 TYR A 62 27.206 24.374 -2.592 1.00 12.43 H new ATOM 0 HH TYR A 62 28.287 26.302 -2.614 1.00 52.25 H new ATOM 1045 N HIS A 63 28.055 20.464 1.165 1.00 13.10 N ATOM 1046 CA HIS A 63 27.291 21.241 2.135 1.00 75.23 C ATOM 1047 C HIS A 63 28.094 21.455 3.414 1.00 44.24 C ATOM 1048 O HIS A 63 27.854 22.405 4.159 1.00 35.13 O ATOM 1049 CB HIS A 63 25.973 20.537 2.459 1.00 74.21 C ATOM 1050 CG HIS A 63 25.024 20.480 1.302 1.00 74.43 C ATOM 1051 ND1 HIS A 63 23.922 19.651 1.272 1.00 12.01 N ATOM 1052 CD2 HIS A 63 25.015 21.156 0.129 1.00 25.22 C ATOM 1053 CE1 HIS A 63 23.278 19.819 0.131 1.00 70.22 C ATOM 1054 NE2 HIS A 63 23.921 20.727 -0.581 1.00 11.14 N ATOM 0 H HIS A 63 27.635 19.568 0.918 1.00 13.10 H new ATOM 0 HA HIS A 63 27.076 22.215 1.695 1.00 75.23 H new ATOM 0 HB2 HIS A 63 26.186 19.522 2.794 1.00 74.21 H new ATOM 0 HB3 HIS A 63 25.490 21.052 3.289 1.00 74.21 H new ATOM 0 HD2 HIS A 63 25.735 21.896 -0.189 1.00 25.22 H new ATOM 0 HE1 HIS A 63 22.379 19.302 -0.169 1.00 70.22 H new ATOM 0 HE2 HIS A 63 23.649 21.056 -1.507 1.00 11.14 H new ATOM 1062 N LYS A 64 29.050 20.566 3.662 1.00 42.20 N ATOM 1063 CA LYS A 64 29.891 20.657 4.850 1.00 14.30 C ATOM 1064 C LYS A 64 31.056 21.614 4.620 1.00 63.32 C ATOM 1065 O LYS A 64 31.583 22.203 5.563 1.00 5.21 O ATOM 1066 CB LYS A 64 30.420 19.273 5.232 1.00 3.45 C ATOM 1067 CG LYS A 64 29.437 18.449 6.045 1.00 0.14 C ATOM 1068 CD LYS A 64 29.760 16.966 5.975 1.00 45.13 C ATOM 1069 CE LYS A 64 29.312 16.360 4.654 1.00 43.34 C ATOM 1070 NZ LYS A 64 29.696 14.926 4.543 1.00 61.33 N ATOM 0 H LYS A 64 29.262 19.774 3.056 1.00 42.20 H new ATOM 0 HA LYS A 64 29.283 21.045 5.667 1.00 14.30 H new ATOM 0 HB2 LYS A 64 30.674 18.727 4.323 1.00 3.45 H new ATOM 0 HB3 LYS A 64 31.342 19.390 5.802 1.00 3.45 H new ATOM 0 HG2 LYS A 64 29.457 18.778 7.084 1.00 0.14 H new ATOM 0 HG3 LYS A 64 28.426 18.620 5.676 1.00 0.14 H new ATOM 0 HD2 LYS A 64 30.833 16.820 6.098 1.00 45.13 H new ATOM 0 HD3 LYS A 64 29.271 16.447 6.799 1.00 45.13 H new ATOM 0 HE2 LYS A 64 28.230 16.455 4.559 1.00 43.34 H new ATOM 0 HE3 LYS A 64 29.754 16.919 3.829 1.00 43.34 H new ATOM 0 HZ1 LYS A 64 29.373 14.550 3.629 1.00 61.33 H new ATOM 0 HZ2 LYS A 64 30.730 14.838 4.608 1.00 61.33 H new ATOM 0 HZ3 LYS A 64 29.254 14.387 5.315 1.00 61.33 H new ATOM 1084 N SER A 65 31.453 21.764 3.360 1.00 31.20 N ATOM 1085 CA SER A 65 32.558 22.647 3.007 1.00 50.14 C ATOM 1086 C SER A 65 32.223 24.097 3.342 1.00 10.20 C ATOM 1087 O SER A 65 32.972 24.771 4.050 1.00 65.04 O ATOM 1088 CB SER A 65 32.885 22.519 1.518 1.00 63.43 C ATOM 1089 OG SER A 65 34.127 21.864 1.323 1.00 31.11 O ATOM 0 H SER A 65 31.026 21.285 2.567 1.00 31.20 H new ATOM 0 HA SER A 65 33.429 22.349 3.590 1.00 50.14 H new ATOM 0 HB2 SER A 65 32.094 21.963 1.015 1.00 63.43 H new ATOM 0 HB3 SER A 65 32.917 23.509 1.063 1.00 63.43 H new ATOM 0 HG SER A 65 34.312 21.793 0.363 1.00 31.11 H new ATOM 1095 N ILE A 66 31.092 24.570 2.829 1.00 44.52 N ATOM 1096 CA ILE A 66 30.657 25.940 3.074 1.00 20.32 C ATOM 1097 C ILE A 66 29.903 26.048 4.395 1.00 54.41 C ATOM 1098 O ILE A 66 29.513 27.140 4.811 1.00 72.52 O ATOM 1099 CB ILE A 66 29.756 26.456 1.937 1.00 12.21 C ATOM 1100 CG1 ILE A 66 28.308 26.017 2.165 1.00 70.11 C ATOM 1101 CG2 ILE A 66 30.261 25.956 0.592 1.00 3.30 C ATOM 1102 CD1 ILE A 66 28.129 24.515 2.192 1.00 43.02 C ATOM 0 H ILE A 66 30.461 24.025 2.242 1.00 44.52 H new ATOM 0 HA ILE A 66 31.556 26.554 3.120 1.00 20.32 H new ATOM 0 HB ILE A 66 29.789 27.545 1.933 1.00 12.21 H new ATOM 0 HG12 ILE A 66 27.955 26.434 3.108 1.00 70.11 H new ATOM 0 HG13 ILE A 66 27.682 26.435 1.377 1.00 70.11 H new ATOM 0 HG21 ILE A 66 29.613 26.329 -0.201 1.00 3.30 H new ATOM 0 HG22 ILE A 66 31.278 26.314 0.429 1.00 3.30 H new ATOM 0 HG23 ILE A 66 30.254 24.866 0.583 1.00 3.30 H new ATOM 0 HD11 ILE A 66 27.078 24.277 2.358 1.00 43.02 H new ATOM 0 HD12 ILE A 66 28.451 24.093 1.240 1.00 43.02 H new ATOM 0 HD13 ILE A 66 28.728 24.092 2.998 1.00 43.02 H new ATOM 1114 N ARG A 67 29.702 24.910 5.051 1.00 53.03 N ATOM 1115 CA ARG A 67 28.994 24.877 6.325 1.00 4.01 C ATOM 1116 C ARG A 67 29.571 25.906 7.293 1.00 34.14 C ATOM 1117 O ARG A 67 28.832 26.570 8.022 1.00 45.12 O ATOM 1118 CB ARG A 67 29.075 23.479 6.942 1.00 45.34 C ATOM 1119 CG ARG A 67 28.458 23.388 8.327 1.00 11.24 C ATOM 1120 CD ARG A 67 29.489 23.649 9.415 1.00 75.32 C ATOM 1121 NE ARG A 67 29.341 22.730 10.540 1.00 21.52 N ATOM 1122 CZ ARG A 67 28.370 22.821 11.442 1.00 52.44 C ATOM 1123 NH1 ARG A 67 27.465 23.786 11.350 1.00 74.21 N ATOM 1124 NH2 ARG A 67 28.302 21.947 12.437 1.00 23.14 N ATOM 0 H ARG A 67 30.019 23.998 4.721 1.00 53.03 H new ATOM 0 HA ARG A 67 27.949 25.124 6.138 1.00 4.01 H new ATOM 0 HB2 ARG A 67 28.573 22.771 6.283 1.00 45.34 H new ATOM 0 HB3 ARG A 67 30.121 23.176 6.999 1.00 45.34 H new ATOM 0 HG2 ARG A 67 27.646 24.110 8.413 1.00 11.24 H new ATOM 0 HG3 ARG A 67 28.021 22.399 8.468 1.00 11.24 H new ATOM 0 HD2 ARG A 67 30.491 23.551 8.996 1.00 75.32 H new ATOM 0 HD3 ARG A 67 29.390 24.675 9.769 1.00 75.32 H new ATOM 0 HE ARG A 67 30.021 21.976 10.639 1.00 21.52 H new ATOM 0 HH11 ARG A 67 27.514 24.460 10.586 1.00 74.21 H new ATOM 0 HH12 ARG A 67 26.720 23.854 12.043 1.00 74.21 H new ATOM 0 HH21 ARG A 67 28.996 21.203 12.511 1.00 23.14 H new ATOM 0 HH22 ARG A 67 27.556 22.019 13.129 1.00 23.14 H new ATOM 1138 N HIS A 68 30.894 26.032 7.296 1.00 11.24 N ATOM 1139 CA HIS A 68 31.569 26.980 8.175 1.00 5.23 C ATOM 1140 C HIS A 68 30.970 28.376 8.032 1.00 31.12 C ATOM 1141 O HIS A 68 30.891 29.131 9.002 1.00 40.52 O ATOM 1142 CB HIS A 68 33.066 27.021 7.863 1.00 74.32 C ATOM 1143 CG HIS A 68 33.836 25.890 8.472 1.00 75.41 C ATOM 1144 ND1 HIS A 68 34.914 26.078 9.311 1.00 54.54 N ATOM 1145 CD2 HIS A 68 33.677 24.550 8.361 1.00 30.13 C ATOM 1146 CE1 HIS A 68 35.386 24.904 9.688 1.00 30.12 C ATOM 1147 NE2 HIS A 68 34.653 23.960 9.126 1.00 32.23 N ATOM 0 H HIS A 68 31.520 25.490 6.700 1.00 11.24 H new ATOM 0 HA HIS A 68 31.428 26.647 9.203 1.00 5.23 H new ATOM 0 HB2 HIS A 68 33.204 27.003 6.782 1.00 74.32 H new ATOM 0 HB3 HIS A 68 33.478 27.964 8.221 1.00 74.32 H new ATOM 0 HD2 HIS A 68 32.923 24.040 7.779 1.00 30.13 H new ATOM 0 HE1 HIS A 68 36.228 24.743 10.344 1.00 30.12 H new ATOM 0 HE2 HIS A 68 34.790 22.956 9.241 1.00 32.23 H new ATOM 1155 N LEU A 69 30.549 28.712 6.818 1.00 45.12 N ATOM 1156 CA LEU A 69 29.957 30.018 6.547 1.00 24.33 C ATOM 1157 C LEU A 69 28.503 30.062 7.006 1.00 62.43 C ATOM 1158 O LEU A 69 28.008 31.105 7.432 1.00 73.11 O ATOM 1159 CB LEU A 69 30.043 30.339 5.054 1.00 4.23 C ATOM 1160 CG LEU A 69 31.444 30.310 4.441 1.00 12.31 C ATOM 1161 CD1 LEU A 69 31.375 29.927 2.971 1.00 21.51 C ATOM 1162 CD2 LEU A 69 32.128 31.659 4.611 1.00 62.13 C ATOM 0 H LEU A 69 30.606 28.098 6.005 1.00 45.12 H new ATOM 0 HA LEU A 69 30.518 30.767 7.106 1.00 24.33 H new ATOM 0 HB2 LEU A 69 29.417 29.629 4.513 1.00 4.23 H new ATOM 0 HB3 LEU A 69 29.617 31.329 4.890 1.00 4.23 H new ATOM 0 HG LEU A 69 32.034 29.557 4.964 1.00 12.31 H new ATOM 0 HD11 LEU A 69 32.381 29.911 2.551 1.00 21.51 H new ATOM 0 HD12 LEU A 69 30.926 28.939 2.873 1.00 21.51 H new ATOM 0 HD13 LEU A 69 30.769 30.656 2.433 1.00 21.51 H new ATOM 0 HD21 LEU A 69 33.124 31.620 4.169 1.00 62.13 H new ATOM 0 HD22 LEU A 69 31.540 32.430 4.114 1.00 62.13 H new ATOM 0 HD23 LEU A 69 32.211 31.894 5.672 1.00 62.13 H new ATOM 1174 N ARG A 70 27.826 28.922 6.917 1.00 75.21 N ATOM 1175 CA ARG A 70 26.428 28.830 7.323 1.00 4.03 C ATOM 1176 C ARG A 70 26.304 28.828 8.844 1.00 34.51 C ATOM 1177 O ARG A 70 25.272 29.212 9.393 1.00 2.42 O ATOM 1178 CB ARG A 70 25.789 27.565 6.746 1.00 4.54 C ATOM 1179 CG ARG A 70 26.122 27.329 5.282 1.00 32.43 C ATOM 1180 CD ARG A 70 25.135 26.370 4.635 1.00 31.41 C ATOM 1181 NE ARG A 70 23.809 26.964 4.490 1.00 51.32 N ATOM 1182 CZ ARG A 70 22.831 26.415 3.777 1.00 3.35 C ATOM 1183 NH1 ARG A 70 23.030 25.265 3.149 1.00 30.22 N ATOM 1184 NH2 ARG A 70 21.652 27.017 3.693 1.00 52.10 N ATOM 0 H ARG A 70 28.222 28.049 6.568 1.00 75.21 H new ATOM 0 HA ARG A 70 25.904 29.703 6.934 1.00 4.03 H new ATOM 0 HB2 ARG A 70 26.118 26.704 7.328 1.00 4.54 H new ATOM 0 HB3 ARG A 70 24.707 27.631 6.858 1.00 4.54 H new ATOM 0 HG2 ARG A 70 26.112 28.279 4.748 1.00 32.43 H new ATOM 0 HG3 ARG A 70 27.131 26.926 5.197 1.00 32.43 H new ATOM 0 HD2 ARG A 70 25.508 26.073 3.655 1.00 31.41 H new ATOM 0 HD3 ARG A 70 25.062 25.464 5.237 1.00 31.41 H new ATOM 0 HE ARG A 70 23.623 27.849 4.962 1.00 51.32 H new ATOM 0 HH11 ARG A 70 23.935 24.799 3.212 1.00 30.22 H new ATOM 0 HH12 ARG A 70 22.278 24.846 2.602 1.00 30.22 H new ATOM 0 HH21 ARG A 70 21.496 27.902 4.176 1.00 52.10 H new ATOM 0 HH22 ARG A 70 20.902 26.595 3.146 1.00 52.10 H new