USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 51 LYS NZ :NH3+ -134:sc= 0.134 (180deg=0) USER MOD Set 1.2: A 63 ASN : amide:sc= 0.126 K(o=0.26,f=-2.7!) USER MOD Set 2.1: A 58 GLN : amide:sc= 0.334 K(o=0.68,f=-0.41) USER MOD Set 2.2: A 95 GLN : amide:sc= 0.342 K(o=0.68,f=-0.41) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 LYS NZ :NH3+ -147:sc= 0.00226 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= 0.832 (180deg=0.486) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 73:sc= 0.656 USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0.577 (180deg=0.57) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 69:sc= 0.763 USER MOD Single : A 38 HIS : no HE2:sc= 0.899 K(o=0.9,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0024 USER MOD Single : A 46 HIS : no HD1:sc=-0.00655 X(o=-0.0066,f=-0.0097) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 72:sc= 0.318 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 154:sc= 0.679 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -128:sc= 0 (180deg=-0.0165) USER MOD Single : A 64 SER OG : rot 82:sc= 1.21 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 77 ASN : amide:sc= -0.0934 X(o=-0.093,f=-0.17) USER MOD Single : A 78 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.031) USER MOD Single : A 79 THR OG1 : rot 132:sc= 1.27 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 8 18.325 -13.108 15.251 1.00 25.00 N ATOM 59 CA GLU A 8 17.041 -13.693 14.863 1.00 25.00 C ATOM 60 C GLU A 8 15.942 -13.160 15.772 1.00 25.00 C ATOM 61 O GLU A 8 16.247 -12.618 16.835 1.00 25.00 O ATOM 62 CB GLU A 8 17.125 -15.222 14.966 1.00 25.00 C ATOM 63 CG GLU A 8 17.272 -15.760 16.386 1.00 25.00 C ATOM 64 CD GLU A 8 17.612 -17.236 16.402 1.00 25.00 C ATOM 65 OE1 GLU A 8 18.778 -17.589 16.119 1.00 25.00 O ATOM 66 OE2 GLU A 8 16.727 -18.079 16.687 1.00 25.00 O ATOM 0 HA GLU A 8 16.808 -13.420 13.834 1.00 25.00 H new ATOM 0 HB2 GLU A 8 16.228 -15.652 14.521 1.00 25.00 H new ATOM 0 HB3 GLU A 8 17.972 -15.566 14.372 1.00 25.00 H new ATOM 0 HG2 GLU A 8 18.052 -15.203 16.906 1.00 25.00 H new ATOM 0 HG3 GLU A 8 16.344 -15.596 16.934 1.00 25.00 H new ATOM 73 N ALA A 9 14.691 -13.324 15.357 1.00 25.00 N ATOM 74 CA ALA A 9 13.502 -12.943 16.125 1.00 25.00 C ATOM 75 C ALA A 9 13.530 -11.509 16.679 1.00 25.00 C ATOM 76 O ALA A 9 13.112 -11.260 17.808 1.00 25.00 O ATOM 77 CB ALA A 9 13.252 -13.977 17.243 1.00 25.00 C ATOM 0 H ALA A 9 14.465 -13.737 14.452 1.00 25.00 H new ATOM 0 HA ALA A 9 12.668 -12.946 15.424 1.00 25.00 H new ATOM 0 HB1 ALA A 9 12.367 -13.691 17.812 1.00 25.00 H new ATOM 0 HB2 ALA A 9 13.096 -14.961 16.800 1.00 25.00 H new ATOM 0 HB3 ALA A 9 14.116 -14.011 17.907 1.00 25.00 H new ATOM 83 N LYS A 10 14.051 -10.562 15.910 1.00 25.00 N ATOM 84 CA LYS A 10 14.101 -9.166 16.366 1.00 25.00 C ATOM 85 C LYS A 10 12.732 -8.513 16.635 1.00 25.00 C ATOM 86 O LYS A 10 12.595 -7.859 17.679 1.00 25.00 O ATOM 87 CB LYS A 10 14.901 -8.313 15.370 1.00 25.00 C ATOM 88 CG LYS A 10 15.153 -6.877 15.827 1.00 25.00 C ATOM 89 CD LYS A 10 15.869 -6.083 14.748 1.00 25.00 C ATOM 90 CE LYS A 10 16.139 -4.647 15.178 1.00 25.00 C ATOM 91 NZ LYS A 10 14.891 -3.820 15.302 1.00 25.00 N ATOM 0 H LYS A 10 14.441 -10.723 14.981 1.00 25.00 H new ATOM 0 HA LYS A 10 14.598 -9.202 17.335 1.00 25.00 H new ATOM 0 HB2 LYS A 10 15.861 -8.796 15.186 1.00 25.00 H new ATOM 0 HB3 LYS A 10 14.368 -8.290 14.420 1.00 25.00 H new ATOM 0 HG2 LYS A 10 14.205 -6.396 16.069 1.00 25.00 H new ATOM 0 HG3 LYS A 10 15.751 -6.881 16.739 1.00 25.00 H new ATOM 0 HD2 LYS A 10 16.812 -6.572 14.505 1.00 25.00 H new ATOM 0 HD3 LYS A 10 15.267 -6.082 13.839 1.00 25.00 H new ATOM 0 HE2 LYS A 10 16.659 -4.653 16.136 1.00 25.00 H new ATOM 0 HE3 LYS A 10 16.807 -4.178 14.456 1.00 25.00 H new ATOM 0 HZ1 LYS A 10 15.126 -2.815 15.175 1.00 25.00 H new ATOM 0 HZ2 LYS A 10 14.208 -4.111 14.573 1.00 25.00 H new ATOM 0 HZ3 LYS A 10 14.473 -3.961 16.244 1.00 25.00 H new ATOM 105 N PRO A 11 11.731 -8.643 15.732 1.00 25.00 N ATOM 106 CA PRO A 11 10.508 -7.897 16.069 1.00 25.00 C ATOM 107 C PRO A 11 9.801 -8.355 17.338 1.00 25.00 C ATOM 108 O PRO A 11 9.862 -9.534 17.705 1.00 25.00 O ATOM 109 CB PRO A 11 9.597 -8.151 14.863 1.00 25.00 C ATOM 110 CG PRO A 11 10.520 -8.493 13.763 1.00 25.00 C ATOM 111 CD PRO A 11 11.556 -9.331 14.437 1.00 25.00 C ATOM 0 HA PRO A 11 10.752 -6.853 16.265 1.00 25.00 H new ATOM 0 HB2 PRO A 11 8.897 -8.963 15.059 1.00 25.00 H new ATOM 0 HB3 PRO A 11 9.003 -7.269 14.622 1.00 25.00 H new ATOM 0 HG2 PRO A 11 10.014 -9.040 12.968 1.00 25.00 H new ATOM 0 HG3 PRO A 11 10.955 -7.602 13.310 1.00 25.00 H new ATOM 0 HD2 PRO A 11 11.224 -10.361 14.566 1.00 25.00 H new ATOM 0 HD3 PRO A 11 12.484 -9.365 13.867 1.00 25.00 H new ATOM 119 N SER A 12 9.128 -7.409 17.983 1.00 25.00 N ATOM 120 CA SER A 12 8.351 -7.619 19.212 1.00 25.00 C ATOM 121 C SER A 12 9.075 -8.264 20.397 1.00 25.00 C ATOM 122 O SER A 12 8.437 -8.796 21.310 1.00 25.00 O ATOM 123 CB SER A 12 7.107 -8.446 18.887 1.00 25.00 C ATOM 124 OG SER A 12 6.476 -7.934 17.724 1.00 25.00 O ATOM 0 H SER A 12 9.104 -6.442 17.660 1.00 25.00 H new ATOM 0 HA SER A 12 8.119 -6.609 19.551 1.00 25.00 H new ATOM 0 HB2 SER A 12 7.383 -9.489 18.732 1.00 25.00 H new ATOM 0 HB3 SER A 12 6.414 -8.422 19.728 1.00 25.00 H new ATOM 0 HG SER A 12 5.681 -8.470 17.521 1.00 25.00 H new ATOM 130 N THR A 13 10.400 -8.242 20.379 1.00 25.00 N ATOM 131 CA THR A 13 11.209 -8.899 21.404 1.00 25.00 C ATOM 132 C THR A 13 12.176 -7.872 21.990 1.00 25.00 C ATOM 133 O THR A 13 13.314 -7.736 21.537 1.00 25.00 O ATOM 134 CB THR A 13 11.921 -10.127 20.804 1.00 25.00 C ATOM 135 OG1 THR A 13 10.979 -10.867 20.020 1.00 25.00 O ATOM 136 CG2 THR A 13 12.435 -11.064 21.879 1.00 25.00 C ATOM 0 H THR A 13 10.946 -7.771 19.658 1.00 25.00 H new ATOM 0 HA THR A 13 10.586 -9.273 22.217 1.00 25.00 H new ATOM 0 HB THR A 13 12.761 -9.763 20.212 1.00 25.00 H new ATOM 0 HG1 THR A 13 10.793 -10.383 19.189 1.00 25.00 H new ATOM 0 HG21 THR A 13 12.930 -11.916 21.413 1.00 25.00 H new ATOM 0 HG22 THR A 13 13.145 -10.535 22.514 1.00 25.00 H new ATOM 0 HG23 THR A 13 11.600 -11.416 22.484 1.00 25.00 H new ATOM 144 N GLU A 14 11.656 -7.090 22.930 1.00 25.00 N ATOM 145 CA GLU A 14 12.316 -5.902 23.495 1.00 25.00 C ATOM 146 C GLU A 14 12.660 -4.912 22.379 1.00 25.00 C ATOM 147 O GLU A 14 13.743 -4.329 22.299 1.00 25.00 O ATOM 148 CB GLU A 14 13.500 -6.248 24.405 1.00 25.00 C ATOM 149 CG GLU A 14 13.063 -7.085 25.598 1.00 25.00 C ATOM 150 CD GLU A 14 14.158 -7.307 26.628 1.00 25.00 C ATOM 151 OE1 GLU A 14 15.071 -6.464 26.808 1.00 25.00 O ATOM 152 OE2 GLU A 14 14.092 -8.347 27.322 1.00 25.00 O ATOM 0 H GLU A 14 10.737 -7.264 23.337 1.00 25.00 H new ATOM 0 HA GLU A 14 11.611 -5.406 24.162 1.00 25.00 H new ATOM 0 HB2 GLU A 14 14.252 -6.792 23.834 1.00 25.00 H new ATOM 0 HB3 GLU A 14 13.970 -5.330 24.757 1.00 25.00 H new ATOM 0 HG2 GLU A 14 12.217 -6.597 26.081 1.00 25.00 H new ATOM 0 HG3 GLU A 14 12.712 -8.053 25.241 1.00 25.00 H new ATOM 159 N ASP A 15 11.692 -4.760 21.489 1.00 25.00 N ATOM 160 CA ASP A 15 11.831 -3.989 20.256 1.00 25.00 C ATOM 161 C ASP A 15 10.749 -2.914 20.133 1.00 25.00 C ATOM 162 O ASP A 15 10.573 -2.308 19.085 1.00 25.00 O ATOM 163 CB ASP A 15 11.716 -4.968 19.087 1.00 25.00 C ATOM 164 CG ASP A 15 12.218 -4.392 17.780 1.00 25.00 C ATOM 165 OD1 ASP A 15 13.331 -3.827 17.751 1.00 25.00 O ATOM 166 OD2 ASP A 15 11.521 -4.515 16.750 1.00 25.00 O ATOM 0 H ASP A 15 10.768 -5.176 21.603 1.00 25.00 H new ATOM 0 HA ASP A 15 12.794 -3.478 20.257 1.00 25.00 H new ATOM 0 HB2 ASP A 15 12.280 -5.871 19.320 1.00 25.00 H new ATOM 0 HB3 ASP A 15 10.674 -5.265 18.970 1.00 25.00 H new ATOM 171 N LEU A 16 9.977 -2.722 21.194 1.00 25.00 N ATOM 172 CA LEU A 16 8.813 -1.834 21.157 1.00 25.00 C ATOM 173 C LEU A 16 9.156 -0.355 20.959 1.00 25.00 C ATOM 174 O LEU A 16 10.007 0.203 21.664 1.00 25.00 O ATOM 175 CB LEU A 16 8.025 -1.980 22.468 1.00 25.00 C ATOM 176 CG LEU A 16 6.684 -1.237 22.617 1.00 25.00 C ATOM 177 CD1 LEU A 16 5.600 -1.762 21.678 1.00 50.00 C ATOM 178 CD2 LEU A 16 6.191 -1.358 24.048 1.00 50.00 C ATOM 0 H LEU A 16 10.133 -3.170 22.097 1.00 25.00 H new ATOM 0 HA LEU A 16 8.227 -2.140 20.290 1.00 25.00 H new ATOM 0 HB2 LEU A 16 7.832 -3.042 22.620 1.00 25.00 H new ATOM 0 HB3 LEU A 16 8.674 -1.654 23.281 1.00 25.00 H new ATOM 0 HG LEU A 16 6.872 -0.197 22.352 1.00 25.00 H new ATOM 0 HD11 LEU A 16 4.680 -1.197 21.832 1.00 50.00 H new ATOM 0 HD12 LEU A 16 5.927 -1.648 20.645 1.00 50.00 H new ATOM 0 HD13 LEU A 16 5.418 -2.816 21.886 1.00 50.00 H new ATOM 0 HD21 LEU A 16 5.242 -0.832 24.152 1.00 50.00 H new ATOM 0 HD22 LEU A 16 6.052 -2.410 24.297 1.00 50.00 H new ATOM 0 HD23 LEU A 16 6.925 -0.919 24.724 1.00 50.00 H new ATOM 190 N GLY A 17 8.431 0.287 20.053 1.00 25.00 N ATOM 191 CA GLY A 17 8.506 1.728 19.875 1.00 25.00 C ATOM 192 C GLY A 17 9.646 2.209 19.001 1.00 25.00 C ATOM 193 O GLY A 17 10.495 1.436 18.562 1.00 25.00 O ATOM 0 H GLY A 17 7.776 -0.176 19.423 1.00 25.00 H new ATOM 0 HA2 GLY A 17 7.567 2.075 19.444 1.00 25.00 H new ATOM 0 HA3 GLY A 17 8.598 2.195 20.855 1.00 25.00 H new ATOM 197 N ASP A 18 9.663 3.507 18.731 1.00 25.00 N ATOM 198 CA ASP A 18 10.677 4.118 17.868 1.00 25.00 C ATOM 199 C ASP A 18 12.002 4.420 18.571 1.00 25.00 C ATOM 200 O ASP A 18 13.019 4.693 17.921 1.00 25.00 O ATOM 201 CB ASP A 18 10.124 5.394 17.219 1.00 25.00 C ATOM 202 CG ASP A 18 9.948 6.564 18.192 1.00 25.00 C ATOM 203 OD1 ASP A 18 9.947 6.418 19.438 1.00 25.00 O ATOM 204 OD2 ASP A 18 9.775 7.686 17.675 1.00 25.00 O ATOM 0 H ASP A 18 8.979 4.168 19.100 1.00 25.00 H new ATOM 0 HA ASP A 18 10.904 3.373 17.106 1.00 25.00 H new ATOM 0 HB2 ASP A 18 10.795 5.701 16.416 1.00 25.00 H new ATOM 0 HB3 ASP A 18 9.161 5.168 16.761 1.00 25.00 H new ATOM 209 N LYS A 19 11.960 4.380 19.900 1.00 25.00 N ATOM 210 CA LYS A 19 13.109 4.604 20.784 1.00 25.00 C ATOM 211 C LYS A 19 13.849 5.908 20.472 1.00 25.00 C ATOM 212 O LYS A 19 15.084 5.964 20.520 1.00 25.00 O ATOM 213 CB LYS A 19 14.039 3.380 20.756 1.00 25.00 C ATOM 214 CG LYS A 19 13.335 2.084 21.164 1.00 25.00 C ATOM 215 CD LYS A 19 14.296 0.908 21.233 1.00 25.00 C ATOM 216 CE LYS A 19 13.553 -0.375 21.601 1.00 25.00 C ATOM 217 NZ LYS A 19 14.505 -1.520 21.735 1.00 25.00 N ATOM 0 H LYS A 19 11.099 4.185 20.411 1.00 25.00 H new ATOM 0 HA LYS A 19 12.733 4.724 21.800 1.00 25.00 H new ATOM 0 HB2 LYS A 19 14.448 3.264 19.752 1.00 25.00 H new ATOM 0 HB3 LYS A 19 14.881 3.555 21.425 1.00 25.00 H new ATOM 0 HG2 LYS A 19 12.860 2.221 22.135 1.00 25.00 H new ATOM 0 HG3 LYS A 19 12.542 1.862 20.450 1.00 25.00 H new ATOM 0 HD2 LYS A 19 14.795 0.783 20.272 1.00 25.00 H new ATOM 0 HD3 LYS A 19 15.072 1.109 21.971 1.00 25.00 H new ATOM 0 HE2 LYS A 19 13.014 -0.233 22.538 1.00 25.00 H new ATOM 0 HE3 LYS A 19 12.809 -0.602 20.837 1.00 25.00 H new ATOM 0 HZ1 LYS A 19 13.973 -2.394 21.918 1.00 25.00 H new ATOM 0 HZ2 LYS A 19 15.049 -1.624 20.855 1.00 25.00 H new ATOM 0 HZ3 LYS A 19 15.156 -1.339 22.525 1.00 25.00 H new ATOM 275 N GLU A 23 19.452 7.597 26.517 1.00 25.00 N ATOM 276 CA GLU A 23 20.469 8.167 27.403 1.00 25.00 C ATOM 277 C GLU A 23 21.440 9.066 26.634 1.00 25.00 C ATOM 278 O GLU A 23 21.643 8.872 25.433 1.00 25.00 O ATOM 279 CB GLU A 23 21.246 7.049 28.120 1.00 25.00 C ATOM 280 CG GLU A 23 22.303 6.289 27.301 1.00 25.00 C ATOM 281 CD GLU A 23 21.761 5.569 26.073 1.00 25.00 C ATOM 282 OE1 GLU A 23 20.672 4.952 26.135 1.00 25.00 O ATOM 283 OE2 GLU A 23 22.420 5.625 25.006 1.00 25.00 O ATOM 0 HA GLU A 23 19.955 8.778 28.145 1.00 25.00 H new ATOM 0 HB2 GLU A 23 21.741 7.485 28.988 1.00 25.00 H new ATOM 0 HB3 GLU A 23 20.524 6.324 28.495 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.071 6.993 26.983 1.00 25.00 H new ATOM 0 HG3 GLU A 23 22.789 5.559 27.949 1.00 25.00 H new ATOM 290 N TYR A 24 22.055 10.025 27.311 1.00 25.00 N ATOM 291 CA TYR A 24 23.134 10.830 26.740 1.00 25.00 C ATOM 292 C TYR A 24 23.989 11.307 27.914 1.00 25.00 C ATOM 293 O TYR A 24 23.460 11.635 28.975 1.00 25.00 O ATOM 294 CB TYR A 24 22.628 11.966 25.825 1.00 25.00 C ATOM 295 CG TYR A 24 21.686 13.014 26.406 1.00 25.00 C ATOM 296 CD1 TYR A 24 20.477 12.670 27.059 1.00 25.00 C ATOM 297 CD2 TYR A 24 21.977 14.384 26.240 1.00 25.00 C ATOM 298 CE1 TYR A 24 19.634 13.671 27.611 1.00 25.00 C ATOM 299 CE2 TYR A 24 21.121 15.384 26.775 1.00 25.00 C ATOM 300 CZ TYR A 24 19.975 15.017 27.478 1.00 25.00 C ATOM 301 OH TYR A 24 19.195 15.988 28.048 1.00 25.00 O ATOM 0 H TYR A 24 21.822 10.270 28.273 1.00 25.00 H new ATOM 0 HA TYR A 24 23.742 10.233 26.060 1.00 25.00 H new ATOM 0 HB2 TYR A 24 23.501 12.488 25.434 1.00 25.00 H new ATOM 0 HB3 TYR A 24 22.125 11.505 24.975 1.00 25.00 H new ATOM 0 HD1 TYR A 24 20.192 11.631 27.138 1.00 25.00 H new ATOM 0 HD2 TYR A 24 22.864 14.677 25.698 1.00 25.00 H new ATOM 0 HE1 TYR A 24 18.731 13.391 28.133 1.00 25.00 H new ATOM 0 HE2 TYR A 24 21.358 16.428 26.637 1.00 25.00 H new ATOM 0 HH TYR A 24 19.579 16.869 27.858 1.00 25.00 H new ATOM 311 N ILE A 25 25.303 11.202 27.782 1.00 25.00 N ATOM 312 CA ILE A 25 26.217 11.297 28.923 1.00 25.00 C ATOM 313 C ILE A 25 27.541 11.992 28.560 1.00 25.00 C ATOM 314 O ILE A 25 28.060 11.846 27.441 1.00 25.00 O ATOM 315 CB ILE A 25 26.420 9.849 29.499 1.00 25.00 C ATOM 316 CG1 ILE A 25 27.124 9.891 30.867 1.00 25.00 C ATOM 317 CG2 ILE A 25 27.115 8.908 28.479 1.00 25.00 C ATOM 318 CD1 ILE A 25 27.043 8.583 31.672 1.00 25.00 C ATOM 0 H ILE A 25 25.769 11.049 26.888 1.00 25.00 H new ATOM 0 HA ILE A 25 25.782 11.933 29.694 1.00 25.00 H new ATOM 0 HB ILE A 25 25.435 9.414 29.670 1.00 25.00 H new ATOM 0 HG12 ILE A 25 28.173 10.142 30.713 1.00 25.00 H new ATOM 0 HG13 ILE A 25 26.688 10.694 31.460 1.00 25.00 H new ATOM 0 HG21 ILE A 25 27.235 7.918 28.920 1.00 25.00 H new ATOM 0 HG22 ILE A 25 26.505 8.833 27.579 1.00 25.00 H new ATOM 0 HG23 ILE A 25 28.094 9.311 28.221 1.00 25.00 H new ATOM 0 HD11 ILE A 25 27.566 8.706 32.620 1.00 25.00 H new ATOM 0 HD12 ILE A 25 25.998 8.337 31.863 1.00 25.00 H new ATOM 0 HD13 ILE A 25 27.507 7.777 31.104 1.00 25.00 H new ATOM 330 N LYS A 26 28.066 12.790 29.485 1.00 25.00 N ATOM 331 CA LYS A 26 29.378 13.431 29.338 1.00 25.00 C ATOM 332 C LYS A 26 30.468 12.442 29.741 1.00 25.00 C ATOM 333 O LYS A 26 30.403 11.862 30.824 1.00 25.00 O ATOM 334 CB LYS A 26 29.489 14.654 30.253 1.00 25.00 C ATOM 335 CG LYS A 26 28.617 15.839 29.854 1.00 25.00 C ATOM 336 CD LYS A 26 28.881 17.029 30.771 1.00 25.00 C ATOM 337 CE LYS A 26 28.086 18.264 30.372 1.00 25.00 C ATOM 338 NZ LYS A 26 28.455 19.430 31.246 1.00 25.00 N ATOM 0 H LYS A 26 27.596 13.014 30.362 1.00 25.00 H new ATOM 0 HA LYS A 26 29.494 13.740 28.299 1.00 25.00 H new ATOM 0 HB2 LYS A 26 29.227 14.355 31.268 1.00 25.00 H new ATOM 0 HB3 LYS A 26 30.529 14.979 30.275 1.00 25.00 H new ATOM 0 HG2 LYS A 26 28.821 16.117 28.820 1.00 25.00 H new ATOM 0 HG3 LYS A 26 27.565 15.558 29.907 1.00 25.00 H new ATOM 0 HD2 LYS A 26 28.630 16.756 31.796 1.00 25.00 H new ATOM 0 HD3 LYS A 26 29.945 17.266 30.755 1.00 25.00 H new ATOM 0 HE2 LYS A 26 28.281 18.508 29.328 1.00 25.00 H new ATOM 0 HE3 LYS A 26 27.019 18.061 30.458 1.00 25.00 H new ATOM 0 HZ1 LYS A 26 27.904 20.265 30.962 1.00 25.00 H new ATOM 0 HZ2 LYS A 26 28.247 19.200 32.239 1.00 25.00 H new ATOM 0 HZ3 LYS A 26 29.470 19.633 31.144 1.00 25.00 H new ATOM 352 N LEU A 27 31.460 12.243 28.889 1.00 25.00 N ATOM 353 CA LEU A 27 32.550 11.287 29.115 1.00 25.00 C ATOM 354 C LEU A 27 33.854 12.007 28.811 1.00 25.00 C ATOM 355 O LEU A 27 33.811 13.153 28.393 1.00 25.00 O ATOM 356 CB LEU A 27 32.398 10.077 28.186 1.00 25.00 C ATOM 357 CG LEU A 27 31.123 9.236 28.332 1.00 25.00 C ATOM 358 CD1 LEU A 27 31.154 8.135 27.294 1.00 50.00 C ATOM 359 CD2 LEU A 27 30.950 8.611 29.713 1.00 50.00 C ATOM 0 H LEU A 27 31.539 12.745 28.005 1.00 25.00 H new ATOM 0 HA LEU A 27 32.533 10.927 30.144 1.00 25.00 H new ATOM 0 HB2 LEU A 27 32.452 10.432 27.157 1.00 25.00 H new ATOM 0 HB3 LEU A 27 33.255 9.421 28.342 1.00 25.00 H new ATOM 0 HG LEU A 27 30.278 9.910 28.190 1.00 25.00 H new ATOM 0 HD11 LEU A 27 30.254 7.526 27.383 1.00 50.00 H new ATOM 0 HD12 LEU A 27 31.197 8.575 26.298 1.00 50.00 H new ATOM 0 HD13 LEU A 27 32.033 7.510 27.453 1.00 50.00 H new ATOM 0 HD21 LEU A 27 30.027 8.032 29.737 1.00 50.00 H new ATOM 0 HD22 LEU A 27 31.795 7.955 29.924 1.00 50.00 H new ATOM 0 HD23 LEU A 27 30.905 9.398 30.466 1.00 50.00 H new ATOM 371 N LYS A 28 34.999 11.356 28.972 1.00 25.00 N ATOM 372 CA LYS A 28 36.290 11.947 28.608 1.00 25.00 C ATOM 373 C LYS A 28 36.959 11.103 27.530 1.00 25.00 C ATOM 374 O LYS A 28 37.907 10.369 27.785 1.00 25.00 O ATOM 375 CB LYS A 28 37.198 12.064 29.833 1.00 25.00 C ATOM 376 CG LYS A 28 36.693 13.026 30.890 1.00 25.00 C ATOM 377 CD LYS A 28 37.742 13.239 31.967 1.00 25.00 C ATOM 378 CE LYS A 28 37.277 14.274 32.979 1.00 25.00 C ATOM 379 NZ LYS A 28 38.304 14.524 34.037 1.00 25.00 N ATOM 0 H LYS A 28 35.065 10.413 29.354 1.00 25.00 H new ATOM 0 HA LYS A 28 36.117 12.950 28.218 1.00 25.00 H new ATOM 0 HB2 LYS A 28 37.314 11.077 30.281 1.00 25.00 H new ATOM 0 HB3 LYS A 28 38.188 12.385 29.509 1.00 25.00 H new ATOM 0 HG2 LYS A 28 36.439 13.980 30.429 1.00 25.00 H new ATOM 0 HG3 LYS A 28 35.779 12.635 31.338 1.00 25.00 H new ATOM 0 HD2 LYS A 28 37.946 12.296 32.473 1.00 25.00 H new ATOM 0 HD3 LYS A 28 38.677 13.565 31.511 1.00 25.00 H new ATOM 0 HE2 LYS A 28 37.052 15.208 32.465 1.00 25.00 H new ATOM 0 HE3 LYS A 28 36.352 13.935 33.445 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 37.947 15.236 34.706 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 38.501 13.639 34.546 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 39.179 14.872 33.596 1.00 25.00 H new ATOM 393 N VAL A 29 36.437 11.176 26.318 1.00 25.00 N ATOM 394 CA VAL A 29 37.002 10.393 25.220 1.00 25.00 C ATOM 395 C VAL A 29 38.222 11.182 24.767 1.00 25.00 C ATOM 396 O VAL A 29 38.092 12.367 24.493 1.00 25.00 O ATOM 397 CB VAL A 29 35.993 10.242 24.046 1.00 25.00 C ATOM 398 CG1 VAL A 29 36.603 9.443 22.883 1.00 50.00 C ATOM 399 CG2 VAL A 29 34.693 9.572 24.531 1.00 50.00 C ATOM 0 H VAL A 29 35.637 11.757 26.066 1.00 25.00 H new ATOM 0 HA VAL A 29 37.249 9.380 25.539 1.00 25.00 H new ATOM 0 HB VAL A 29 35.758 11.242 23.681 1.00 25.00 H new ATOM 0 HG11 VAL A 29 35.872 9.356 22.079 1.00 50.00 H new ATOM 0 HG12 VAL A 29 37.490 9.958 22.513 1.00 50.00 H new ATOM 0 HG13 VAL A 29 36.880 8.448 23.231 1.00 50.00 H new ATOM 0 HG21 VAL A 29 34.000 9.475 23.695 1.00 50.00 H new ATOM 0 HG22 VAL A 29 34.920 8.584 24.930 1.00 50.00 H new ATOM 0 HG23 VAL A 29 34.238 10.183 25.311 1.00 50.00 H new ATOM 409 N ILE A 30 39.402 10.590 24.692 1.00 25.00 N ATOM 410 CA ILE A 30 40.559 11.318 24.166 1.00 25.00 C ATOM 411 C ILE A 30 40.549 11.004 22.674 1.00 25.00 C ATOM 412 O ILE A 30 40.675 9.845 22.277 1.00 25.00 O ATOM 413 CB ILE A 30 41.896 10.936 24.860 1.00 25.00 C ATOM 414 CG1 ILE A 30 41.772 11.192 26.380 1.00 25.00 C ATOM 415 CG2 ILE A 30 43.069 11.758 24.251 1.00 25.00 C ATOM 416 CD1 ILE A 30 42.972 10.768 27.246 1.00 25.00 C ATOM 0 H ILE A 30 39.589 9.630 24.980 1.00 25.00 H new ATOM 0 HA ILE A 30 40.487 12.388 24.361 1.00 25.00 H new ATOM 0 HB ILE A 30 42.106 9.879 24.697 1.00 25.00 H new ATOM 0 HG12 ILE A 30 41.599 12.257 26.534 1.00 25.00 H new ATOM 0 HG13 ILE A 30 40.887 10.670 26.743 1.00 25.00 H new ATOM 0 HG21 ILE A 30 44.001 11.483 24.744 1.00 25.00 H new ATOM 0 HG22 ILE A 30 43.147 11.546 23.185 1.00 25.00 H new ATOM 0 HG23 ILE A 30 42.882 12.822 24.397 1.00 25.00 H new ATOM 0 HD11 ILE A 30 42.766 10.998 28.291 1.00 25.00 H new ATOM 0 HD12 ILE A 30 43.139 9.696 27.137 1.00 25.00 H new ATOM 0 HD13 ILE A 30 43.862 11.309 26.924 1.00 25.00 H new ATOM 428 N GLY A 31 40.335 12.025 21.856 1.00 25.00 N ATOM 429 CA GLY A 31 40.182 11.840 20.421 1.00 25.00 C ATOM 430 C GLY A 31 41.469 11.862 19.620 1.00 25.00 C ATOM 431 O GLY A 31 42.563 11.940 20.178 1.00 25.00 O ATOM 0 H GLY A 31 40.263 12.995 22.164 1.00 25.00 H new ATOM 0 HA2 GLY A 31 39.682 10.887 20.246 1.00 25.00 H new ATOM 0 HA3 GLY A 31 39.524 12.620 20.040 1.00 25.00 H new ATOM 435 N GLN A 32 41.332 11.821 18.301 1.00 25.00 N ATOM 436 CA GLN A 32 42.469 11.772 17.373 1.00 25.00 C ATOM 437 C GLN A 32 43.377 13.009 17.397 1.00 25.00 C ATOM 438 O GLN A 32 44.556 12.932 17.047 1.00 25.00 O ATOM 439 CB GLN A 32 41.946 11.537 15.947 1.00 25.00 C ATOM 440 CG GLN A 32 41.132 12.695 15.354 1.00 25.00 C ATOM 441 CD GLN A 32 40.530 12.373 14.005 1.00 25.00 C ATOM 442 OE1 GLN A 32 41.215 11.937 13.082 1.00 25.00 O ATOM 443 NE2 GLN A 32 39.251 12.591 13.868 1.00 25.00 N ATOM 0 H GLN A 32 40.424 11.821 17.835 1.00 25.00 H new ATOM 0 HA GLN A 32 43.097 10.947 17.710 1.00 25.00 H new ATOM 0 HB2 GLN A 32 42.795 11.338 15.293 1.00 25.00 H new ATOM 0 HB3 GLN A 32 41.326 10.640 15.947 1.00 25.00 H new ATOM 0 HG2 GLN A 32 40.333 12.961 16.047 1.00 25.00 H new ATOM 0 HG3 GLN A 32 41.775 13.570 15.258 1.00 25.00 H new ATOM 0 HE21 GLN A 32 38.709 12.953 14.652 1.00 25.00 H new ATOM 0 HE22 GLN A 32 38.794 12.399 12.977 1.00 25.00 H new ATOM 452 N ASP A 33 42.852 14.140 17.851 1.00 25.00 N ATOM 453 CA ASP A 33 43.623 15.385 17.976 1.00 25.00 C ATOM 454 C ASP A 33 44.351 15.442 19.327 1.00 25.00 C ATOM 455 O ASP A 33 44.810 16.502 19.760 1.00 25.00 O ATOM 456 CB ASP A 33 42.675 16.586 17.832 1.00 25.00 C ATOM 457 CG ASP A 33 43.401 17.884 17.484 1.00 25.00 C ATOM 458 OD1 ASP A 33 44.427 17.859 16.764 1.00 25.00 O ATOM 459 OD2 ASP A 33 42.928 18.970 17.900 1.00 25.00 O ATOM 0 H ASP A 33 41.879 14.227 18.145 1.00 25.00 H new ATOM 0 HA ASP A 33 44.374 15.417 17.187 1.00 25.00 H new ATOM 0 HB2 ASP A 33 41.939 16.370 17.058 1.00 25.00 H new ATOM 0 HB3 ASP A 33 42.126 16.722 18.764 1.00 25.00 H new ATOM 464 N SER A 34 44.395 14.301 20.011 1.00 25.00 N ATOM 465 CA SER A 34 45.005 14.140 21.340 1.00 25.00 C ATOM 466 C SER A 34 44.439 15.155 22.328 1.00 25.00 C ATOM 467 O SER A 34 45.146 15.751 23.147 1.00 25.00 O ATOM 468 CB SER A 34 46.531 14.212 21.258 1.00 25.00 C ATOM 469 OG SER A 34 47.018 13.205 20.378 1.00 25.00 O ATOM 0 H SER A 34 43.997 13.434 19.650 1.00 25.00 H new ATOM 0 HA SER A 34 44.749 13.148 21.713 1.00 25.00 H new ATOM 0 HB2 SER A 34 46.839 15.196 20.904 1.00 25.00 H new ATOM 0 HB3 SER A 34 46.964 14.080 22.250 1.00 25.00 H new ATOM 0 HG SER A 34 47.995 13.258 20.329 1.00 25.00 H new ATOM 475 N SER A 35 43.137 15.368 22.208 1.00 25.00 N ATOM 476 CA SER A 35 42.408 16.360 22.989 1.00 25.00 C ATOM 477 C SER A 35 41.098 15.712 23.410 1.00 25.00 C ATOM 478 O SER A 35 40.639 14.772 22.754 1.00 25.00 O ATOM 479 CB SER A 35 42.159 17.601 22.131 1.00 25.00 C ATOM 480 OG SER A 35 43.393 18.135 21.675 1.00 25.00 O ATOM 0 H SER A 35 42.548 14.850 21.556 1.00 25.00 H new ATOM 0 HA SER A 35 42.970 16.676 23.868 1.00 25.00 H new ATOM 0 HB2 SER A 35 41.529 17.344 21.280 1.00 25.00 H new ATOM 0 HB3 SER A 35 41.621 18.351 22.711 1.00 25.00 H new ATOM 0 HG SER A 35 43.793 17.523 21.022 1.00 25.00 H new ATOM 486 N GLU A 36 40.519 16.159 24.510 1.00 25.00 N ATOM 487 CA GLU A 36 39.340 15.513 25.078 1.00 25.00 C ATOM 488 C GLU A 36 38.052 15.906 24.348 1.00 25.00 C ATOM 489 O GLU A 36 37.854 17.070 23.991 1.00 25.00 O ATOM 490 CB GLU A 36 39.267 15.917 26.551 1.00 25.00 C ATOM 491 CG GLU A 36 38.323 15.112 27.421 1.00 25.00 C ATOM 492 CD GLU A 36 38.358 15.609 28.857 1.00 25.00 C ATOM 493 OE1 GLU A 36 39.433 15.586 29.503 1.00 25.00 O ATOM 494 OE2 GLU A 36 37.308 16.059 29.360 1.00 25.00 O ATOM 0 H GLU A 36 40.845 16.971 25.033 1.00 25.00 H new ATOM 0 HA GLU A 36 39.431 14.432 24.969 1.00 25.00 H new ATOM 0 HB2 GLU A 36 40.268 15.846 26.976 1.00 25.00 H new ATOM 0 HB3 GLU A 36 38.972 16.965 26.604 1.00 25.00 H new ATOM 0 HG2 GLU A 36 37.308 15.186 27.030 1.00 25.00 H new ATOM 0 HG3 GLU A 36 38.601 14.058 27.389 1.00 25.00 H new ATOM 501 N ILE A 37 37.172 14.940 24.136 1.00 25.00 N ATOM 502 CA ILE A 37 35.848 15.148 23.562 1.00 25.00 C ATOM 503 C ILE A 37 34.895 14.842 24.720 1.00 25.00 C ATOM 504 O ILE A 37 34.887 13.724 25.253 1.00 25.00 O ATOM 505 CB ILE A 37 35.583 14.209 22.346 1.00 25.00 C ATOM 506 CG1 ILE A 37 36.682 14.374 21.275 1.00 25.00 C ATOM 507 CG2 ILE A 37 34.193 14.498 21.745 1.00 25.00 C ATOM 508 CD1 ILE A 37 36.620 13.373 20.106 1.00 25.00 C ATOM 0 H ILE A 37 37.362 13.964 24.364 1.00 25.00 H new ATOM 0 HA ILE A 37 35.725 16.156 23.167 1.00 25.00 H new ATOM 0 HB ILE A 37 35.606 13.177 22.696 1.00 25.00 H new ATOM 0 HG12 ILE A 37 36.622 15.384 20.870 1.00 25.00 H new ATOM 0 HG13 ILE A 37 37.654 14.282 21.759 1.00 25.00 H new ATOM 0 HG21 ILE A 37 34.019 13.836 20.896 1.00 25.00 H new ATOM 0 HG22 ILE A 37 33.427 14.327 22.501 1.00 25.00 H new ATOM 0 HG23 ILE A 37 34.149 15.535 21.412 1.00 25.00 H new ATOM 0 HD11 ILE A 37 37.435 13.575 19.411 1.00 25.00 H new ATOM 0 HD12 ILE A 37 36.715 12.358 20.491 1.00 25.00 H new ATOM 0 HD13 ILE A 37 35.667 13.477 19.588 1.00 25.00 H new ATOM 520 N HIS A 38 34.147 15.850 25.150 1.00 25.00 N ATOM 521 CA HIS A 38 33.375 15.795 26.397 1.00 25.00 C ATOM 522 C HIS A 38 31.868 16.012 26.248 1.00 25.00 C ATOM 523 O HIS A 38 31.099 15.707 27.159 1.00 25.00 O ATOM 524 CB HIS A 38 33.960 16.840 27.359 1.00 25.00 C ATOM 525 CG HIS A 38 33.652 16.588 28.804 1.00 25.00 C ATOM 526 ND1 HIS A 38 34.555 16.011 29.684 1.00 25.00 N ATOM 527 CD2 HIS A 38 32.559 16.857 29.561 1.00 25.00 C ATOM 528 CE1 HIS A 38 34.010 15.931 30.887 1.00 25.00 C ATOM 529 NE2 HIS A 38 32.803 16.436 30.839 1.00 25.00 N ATOM 0 H HIS A 38 34.055 16.733 24.647 1.00 25.00 H new ATOM 0 HA HIS A 38 33.468 14.777 26.777 1.00 25.00 H new ATOM 0 HB2 HIS A 38 35.042 16.870 27.230 1.00 25.00 H new ATOM 0 HB3 HIS A 38 33.579 17.823 27.084 1.00 25.00 H new ATOM 0 HD1 HIS A 38 35.495 15.697 29.441 1.00 25.00 H new ATOM 0 HD2 HIS A 38 31.650 17.325 29.213 1.00 25.00 H new ATOM 0 HE1 HIS A 38 34.483 15.517 31.765 1.00 25.00 H new ATOM 538 N PHE A 39 31.444 16.549 25.110 1.00 25.00 N ATOM 539 CA PHE A 39 30.036 16.895 24.894 1.00 25.00 C ATOM 540 C PHE A 39 29.100 15.699 25.114 1.00 25.00 C ATOM 541 O PHE A 39 29.412 14.565 24.739 1.00 25.00 O ATOM 542 CB PHE A 39 29.860 17.478 23.486 1.00 25.00 C ATOM 543 CG PHE A 39 28.451 17.913 23.182 1.00 25.00 C ATOM 544 CD1 PHE A 39 27.964 19.145 23.656 1.00 25.00 C ATOM 545 CD2 PHE A 39 27.597 17.088 22.431 1.00 25.00 C ATOM 546 CE1 PHE A 39 26.619 19.529 23.432 1.00 25.00 C ATOM 547 CE2 PHE A 39 26.249 17.455 22.195 1.00 25.00 C ATOM 548 CZ PHE A 39 25.756 18.676 22.706 1.00 25.00 C ATOM 0 H PHE A 39 32.053 16.756 24.319 1.00 25.00 H new ATOM 0 HA PHE A 39 29.758 17.645 25.634 1.00 25.00 H new ATOM 0 HB2 PHE A 39 30.527 18.332 23.370 1.00 25.00 H new ATOM 0 HB3 PHE A 39 30.167 16.732 22.753 1.00 25.00 H new ATOM 0 HD1 PHE A 39 28.624 19.806 24.198 1.00 25.00 H new ATOM 0 HD2 PHE A 39 27.974 16.160 22.027 1.00 25.00 H new ATOM 0 HE1 PHE A 39 26.254 20.471 23.815 1.00 25.00 H new ATOM 0 HE2 PHE A 39 25.601 16.804 21.627 1.00 25.00 H new ATOM 0 HZ PHE A 39 24.726 18.956 22.543 1.00 25.00 H new ATOM 558 N LYS A 40 27.975 15.956 25.767 1.00 25.00 N ATOM 559 CA LYS A 40 27.019 14.932 26.201 1.00 25.00 C ATOM 560 C LYS A 40 26.345 14.200 25.033 1.00 25.00 C ATOM 561 O LYS A 40 25.531 14.787 24.327 1.00 25.00 O ATOM 562 CB LYS A 40 25.984 15.662 27.068 1.00 25.00 C ATOM 563 CG LYS A 40 25.113 14.807 27.960 1.00 25.00 C ATOM 564 CD LYS A 40 24.160 15.702 28.744 1.00 25.00 C ATOM 565 CE LYS A 40 23.223 14.891 29.624 1.00 25.00 C ATOM 566 NZ LYS A 40 22.194 15.747 30.299 1.00 25.00 N ATOM 0 H LYS A 40 27.690 16.903 26.018 1.00 25.00 H new ATOM 0 HA LYS A 40 27.538 14.149 26.754 1.00 25.00 H new ATOM 0 HB2 LYS A 40 26.513 16.378 27.697 1.00 25.00 H new ATOM 0 HB3 LYS A 40 25.333 16.236 26.408 1.00 25.00 H new ATOM 0 HG2 LYS A 40 24.549 14.093 27.360 1.00 25.00 H new ATOM 0 HG3 LYS A 40 25.732 14.228 28.645 1.00 25.00 H new ATOM 0 HD2 LYS A 40 24.734 16.392 29.363 1.00 25.00 H new ATOM 0 HD3 LYS A 40 23.576 16.307 28.051 1.00 25.00 H new ATOM 0 HE2 LYS A 40 22.723 14.135 29.019 1.00 25.00 H new ATOM 0 HE3 LYS A 40 23.804 14.362 30.379 1.00 25.00 H new ATOM 0 HZ1 LYS A 40 21.969 15.348 31.233 1.00 25.00 H new ATOM 0 HZ2 LYS A 40 22.566 16.711 30.415 1.00 25.00 H new ATOM 0 HZ3 LYS A 40 21.332 15.777 29.718 1.00 25.00 H new ATOM 580 N VAL A 41 26.686 12.937 24.811 1.00 25.00 N ATOM 581 CA VAL A 41 26.164 12.151 23.677 1.00 25.00 C ATOM 582 C VAL A 41 25.765 10.748 24.121 1.00 25.00 C ATOM 583 O VAL A 41 26.147 10.317 25.213 1.00 25.00 O ATOM 584 CB VAL A 41 27.209 12.020 22.522 1.00 25.00 C ATOM 585 CG1 VAL A 41 27.473 13.375 21.869 1.00 50.00 C ATOM 586 CG2 VAL A 41 28.532 11.414 23.011 1.00 50.00 C ATOM 0 H VAL A 41 27.332 12.419 25.407 1.00 25.00 H new ATOM 0 HA VAL A 41 25.292 12.691 23.309 1.00 25.00 H new ATOM 0 HB VAL A 41 26.779 11.344 21.783 1.00 25.00 H new ATOM 0 HG11 VAL A 41 28.203 13.257 21.069 1.00 50.00 H new ATOM 0 HG12 VAL A 41 26.543 13.768 21.457 1.00 50.00 H new ATOM 0 HG13 VAL A 41 27.861 14.069 22.615 1.00 50.00 H new ATOM 0 HG21 VAL A 41 29.229 11.341 22.176 1.00 50.00 H new ATOM 0 HG22 VAL A 41 28.959 12.050 23.786 1.00 50.00 H new ATOM 0 HG23 VAL A 41 28.348 10.420 23.418 1.00 50.00 H new ATOM 596 N LYS A 42 24.995 10.041 23.298 1.00 25.00 N ATOM 597 CA LYS A 42 24.497 8.699 23.629 1.00 25.00 C ATOM 598 C LYS A 42 25.582 7.660 23.873 1.00 25.00 C ATOM 599 O LYS A 42 26.730 7.825 23.446 1.00 25.00 O ATOM 600 CB LYS A 42 23.572 8.191 22.517 1.00 25.00 C ATOM 601 CG LYS A 42 24.254 7.819 21.200 1.00 25.00 C ATOM 602 CD LYS A 42 23.212 7.316 20.218 1.00 25.00 C ATOM 603 CE LYS A 42 23.838 6.688 18.983 1.00 25.00 C ATOM 604 NZ LYS A 42 22.777 6.223 18.025 1.00 25.00 N ATOM 0 H LYS A 42 24.696 10.377 22.383 1.00 25.00 H new ATOM 0 HA LYS A 42 23.962 8.819 24.571 1.00 25.00 H new ATOM 0 HB2 LYS A 42 23.037 7.316 22.887 1.00 25.00 H new ATOM 0 HB3 LYS A 42 22.825 8.958 22.313 1.00 25.00 H new ATOM 0 HG2 LYS A 42 24.770 8.686 20.787 1.00 25.00 H new ATOM 0 HG3 LYS A 42 25.008 7.051 21.372 1.00 25.00 H new ATOM 0 HD2 LYS A 42 22.574 6.583 20.712 1.00 25.00 H new ATOM 0 HD3 LYS A 42 22.571 8.144 19.916 1.00 25.00 H new ATOM 0 HE2 LYS A 42 24.487 7.412 18.490 1.00 25.00 H new ATOM 0 HE3 LYS A 42 24.465 5.846 19.276 1.00 25.00 H new ATOM 0 HZ1 LYS A 42 23.226 5.798 17.189 1.00 25.00 H new ATOM 0 HZ2 LYS A 42 22.174 5.516 18.492 1.00 25.00 H new ATOM 0 HZ3 LYS A 42 22.196 7.034 17.731 1.00 25.00 H new ATOM 618 N MET A 43 25.228 6.578 24.548 1.00 25.00 N ATOM 619 CA MET A 43 26.191 5.506 24.778 1.00 25.00 C ATOM 620 C MET A 43 26.352 4.698 23.500 1.00 25.00 C ATOM 621 O MET A 43 25.405 4.519 22.732 1.00 25.00 O ATOM 622 CB MET A 43 25.762 4.592 25.918 1.00 25.00 C ATOM 623 CG MET A 43 25.882 5.249 27.273 1.00 25.00 C ATOM 624 SD MET A 43 25.448 4.091 28.573 1.00 25.00 S ATOM 625 CE MET A 43 25.711 5.112 30.012 1.00 25.00 C ATOM 0 H MET A 43 24.300 6.417 24.941 1.00 25.00 H new ATOM 0 HA MET A 43 27.142 5.958 25.062 1.00 25.00 H new ATOM 0 HB2 MET A 43 24.729 4.282 25.760 1.00 25.00 H new ATOM 0 HB3 MET A 43 26.372 3.689 25.902 1.00 25.00 H new ATOM 0 HG2 MET A 43 26.901 5.606 27.421 1.00 25.00 H new ATOM 0 HG3 MET A 43 25.228 6.120 27.321 1.00 25.00 H new ATOM 0 HE1 MET A 43 25.484 4.539 30.911 1.00 25.00 H new ATOM 0 HE2 MET A 43 26.751 5.438 30.042 1.00 25.00 H new ATOM 0 HE3 MET A 43 25.059 5.984 29.964 1.00 25.00 H new ATOM 635 N THR A 44 27.562 4.228 23.267 1.00 25.00 N ATOM 636 CA THR A 44 27.896 3.512 22.041 1.00 25.00 C ATOM 637 C THR A 44 27.363 2.082 21.966 1.00 25.00 C ATOM 638 O THR A 44 27.035 1.451 22.978 1.00 25.00 O ATOM 639 CB THR A 44 29.426 3.440 21.936 1.00 25.00 C ATOM 640 OG1 THR A 44 29.953 2.948 23.171 1.00 25.00 O ATOM 641 CG2 THR A 44 30.030 4.818 21.715 1.00 25.00 C ATOM 0 H THR A 44 28.342 4.329 23.917 1.00 25.00 H new ATOM 0 HA THR A 44 27.425 4.065 21.228 1.00 25.00 H new ATOM 0 HB THR A 44 29.672 2.790 21.096 1.00 25.00 H new ATOM 0 HG1 THR A 44 30.930 2.897 23.113 1.00 25.00 H new ATOM 0 HG21 THR A 44 31.114 4.733 21.645 1.00 25.00 H new ATOM 0 HG22 THR A 44 29.639 5.243 20.790 1.00 25.00 H new ATOM 0 HG23 THR A 44 29.770 5.467 22.551 1.00 25.00 H new ATOM 649 N THR A 45 27.309 1.561 20.747 1.00 25.00 N ATOM 650 CA THR A 45 27.063 0.138 20.494 1.00 25.00 C ATOM 651 C THR A 45 28.288 -0.674 20.943 1.00 25.00 C ATOM 652 O THR A 45 29.293 -0.107 21.378 1.00 25.00 O ATOM 653 CB THR A 45 26.745 -0.084 18.985 1.00 25.00 C ATOM 654 OG1 THR A 45 26.315 -1.429 18.754 1.00 25.00 O ATOM 655 CG2 THR A 45 27.940 0.180 18.084 1.00 25.00 C ATOM 0 H THR A 45 27.435 2.113 19.898 1.00 25.00 H new ATOM 0 HA THR A 45 26.200 -0.202 21.066 1.00 25.00 H new ATOM 0 HB THR A 45 25.957 0.628 18.740 1.00 25.00 H new ATOM 0 HG1 THR A 45 26.118 -1.550 17.802 1.00 25.00 H new ATOM 0 HG21 THR A 45 27.657 0.009 17.045 1.00 25.00 H new ATOM 0 HG22 THR A 45 28.266 1.213 18.206 1.00 25.00 H new ATOM 0 HG23 THR A 45 28.755 -0.492 18.354 1.00 25.00 H new ATOM 663 N HIS A 46 28.222 -1.995 20.850 1.00 25.00 N ATOM 664 CA HIS A 46 29.325 -2.861 21.270 1.00 25.00 C ATOM 665 C HIS A 46 30.567 -2.580 20.421 1.00 25.00 C ATOM 666 O HIS A 46 30.463 -2.237 19.240 1.00 25.00 O ATOM 667 CB HIS A 46 28.921 -4.331 21.134 1.00 25.00 C ATOM 668 CG HIS A 46 27.725 -4.704 21.955 1.00 25.00 C ATOM 669 ND1 HIS A 46 26.442 -4.799 21.465 1.00 25.00 N ATOM 670 CD2 HIS A 46 27.620 -5.027 23.272 1.00 25.00 C ATOM 671 CE1 HIS A 46 25.633 -5.124 22.472 1.00 25.00 C ATOM 672 NE2 HIS A 46 26.304 -5.289 23.595 1.00 25.00 N ATOM 0 H HIS A 46 27.412 -2.497 20.485 1.00 25.00 H new ATOM 0 HA HIS A 46 29.556 -2.653 22.315 1.00 25.00 H new ATOM 0 HB2 HIS A 46 28.713 -4.546 20.086 1.00 25.00 H new ATOM 0 HB3 HIS A 46 29.762 -4.959 21.427 1.00 25.00 H new ATOM 0 HD2 HIS A 46 28.447 -5.072 23.965 1.00 25.00 H new ATOM 0 HE1 HIS A 46 24.563 -5.238 22.380 1.00 25.00 H new ATOM 0 HE2 HIS A 46 25.931 -5.553 24.507 1.00 25.00 H new ATOM 680 N LEU A 47 31.740 -2.697 21.028 1.00 25.00 N ATOM 681 CA LEU A 47 32.984 -2.191 20.443 1.00 25.00 C ATOM 682 C LEU A 47 33.305 -2.719 19.047 1.00 25.00 C ATOM 683 O LEU A 47 33.712 -1.955 18.182 1.00 25.00 O ATOM 684 CB LEU A 47 34.141 -2.494 21.405 1.00 25.00 C ATOM 685 CG LEU A 47 35.362 -1.571 21.530 1.00 25.00 C ATOM 686 CD1 LEU A 47 36.218 -1.547 20.279 1.00 50.00 C ATOM 687 CD2 LEU A 47 34.955 -0.146 21.911 1.00 50.00 C ATOM 0 H LEU A 47 31.861 -3.143 21.937 1.00 25.00 H new ATOM 0 HA LEU A 47 32.845 -1.118 20.308 1.00 25.00 H new ATOM 0 HB2 LEU A 47 33.707 -2.577 22.401 1.00 25.00 H new ATOM 0 HB3 LEU A 47 34.520 -3.481 21.139 1.00 25.00 H new ATOM 0 HG LEU A 47 35.967 -1.993 22.332 1.00 25.00 H new ATOM 0 HD11 LEU A 47 37.064 -0.877 20.430 1.00 50.00 H new ATOM 0 HD12 LEU A 47 36.584 -2.552 20.069 1.00 50.00 H new ATOM 0 HD13 LEU A 47 35.622 -1.194 19.437 1.00 50.00 H new ATOM 0 HD21 LEU A 47 35.845 0.478 21.990 1.00 50.00 H new ATOM 0 HD22 LEU A 47 34.294 0.261 21.146 1.00 50.00 H new ATOM 0 HD23 LEU A 47 34.435 -0.160 22.869 1.00 50.00 H new ATOM 699 N LYS A 48 33.072 -3.998 18.793 1.00 25.00 N ATOM 700 CA LYS A 48 33.299 -4.586 17.468 1.00 25.00 C ATOM 701 C LYS A 48 32.549 -3.841 16.370 1.00 25.00 C ATOM 702 O LYS A 48 33.113 -3.510 15.323 1.00 25.00 O ATOM 703 CB LYS A 48 32.856 -6.054 17.496 1.00 25.00 C ATOM 704 CG LYS A 48 33.182 -6.830 16.235 1.00 25.00 C ATOM 705 CD LYS A 48 32.756 -8.278 16.368 1.00 25.00 C ATOM 706 CE LYS A 48 33.174 -9.078 15.145 1.00 25.00 C ATOM 707 NZ LYS A 48 32.941 -10.545 15.329 1.00 25.00 N ATOM 0 H LYS A 48 32.723 -4.658 19.488 1.00 25.00 H new ATOM 0 HA LYS A 48 34.362 -4.509 17.240 1.00 25.00 H new ATOM 0 HB2 LYS A 48 33.329 -6.548 18.345 1.00 25.00 H new ATOM 0 HB3 LYS A 48 31.780 -6.093 17.664 1.00 25.00 H new ATOM 0 HG2 LYS A 48 32.678 -6.375 15.382 1.00 25.00 H new ATOM 0 HG3 LYS A 48 34.253 -6.778 16.037 1.00 25.00 H new ATOM 0 HD2 LYS A 48 33.203 -8.712 17.262 1.00 25.00 H new ATOM 0 HD3 LYS A 48 31.675 -8.334 16.492 1.00 25.00 H new ATOM 0 HE2 LYS A 48 32.617 -8.729 14.275 1.00 25.00 H new ATOM 0 HE3 LYS A 48 34.230 -8.901 14.940 1.00 25.00 H new ATOM 0 HZ1 LYS A 48 33.239 -11.054 14.473 1.00 25.00 H new ATOM 0 HZ2 LYS A 48 33.492 -10.885 16.143 1.00 25.00 H new ATOM 0 HZ3 LYS A 48 31.930 -10.717 15.499 1.00 25.00 H new ATOM 721 N LYS A 49 31.287 -3.533 16.627 1.00 25.00 N ATOM 722 CA LYS A 49 30.459 -2.834 15.647 1.00 25.00 C ATOM 723 C LYS A 49 30.862 -1.369 15.579 1.00 25.00 C ATOM 724 O LYS A 49 30.944 -0.795 14.500 1.00 25.00 O ATOM 725 CB LYS A 49 28.978 -2.967 16.014 1.00 25.00 C ATOM 726 CG LYS A 49 28.467 -4.405 15.975 1.00 25.00 C ATOM 727 CD LYS A 49 26.987 -4.465 16.319 1.00 25.00 C ATOM 728 CE LYS A 49 26.455 -5.894 16.274 1.00 25.00 C ATOM 729 NZ LYS A 49 24.983 -5.953 16.567 1.00 25.00 N ATOM 0 H LYS A 49 30.812 -3.754 17.502 1.00 25.00 H new ATOM 0 HA LYS A 49 30.612 -3.285 14.666 1.00 25.00 H new ATOM 0 HB2 LYS A 49 28.822 -2.561 17.014 1.00 25.00 H new ATOM 0 HB3 LYS A 49 28.386 -2.361 15.328 1.00 25.00 H new ATOM 0 HG2 LYS A 49 28.631 -4.827 14.983 1.00 25.00 H new ATOM 0 HG3 LYS A 49 29.033 -5.015 16.679 1.00 25.00 H new ATOM 0 HD2 LYS A 49 26.827 -4.048 17.313 1.00 25.00 H new ATOM 0 HD3 LYS A 49 26.425 -3.845 15.620 1.00 25.00 H new ATOM 0 HE2 LYS A 49 26.647 -6.322 15.290 1.00 25.00 H new ATOM 0 HE3 LYS A 49 26.994 -6.505 16.998 1.00 25.00 H new ATOM 0 HZ1 LYS A 49 24.660 -6.941 16.527 1.00 25.00 H new ATOM 0 HZ2 LYS A 49 24.802 -5.568 17.516 1.00 25.00 H new ATOM 0 HZ3 LYS A 49 24.466 -5.391 15.861 1.00 25.00 H new ATOM 743 N LEU A 50 31.178 -0.781 16.724 1.00 25.00 N ATOM 744 CA LEU A 50 31.585 0.624 16.785 1.00 25.00 C ATOM 745 C LEU A 50 32.861 0.874 15.988 1.00 25.00 C ATOM 746 O LEU A 50 32.992 1.877 15.286 1.00 25.00 O ATOM 747 CB LEU A 50 31.831 1.028 18.244 1.00 25.00 C ATOM 748 CG LEU A 50 32.106 2.517 18.501 1.00 25.00 C ATOM 749 CD1 LEU A 50 30.857 3.363 18.266 1.00 50.00 C ATOM 750 CD2 LEU A 50 32.616 2.700 19.920 1.00 50.00 C ATOM 0 H LEU A 50 31.162 -1.253 17.628 1.00 25.00 H new ATOM 0 HA LEU A 50 30.781 1.219 16.352 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.961 0.734 18.832 1.00 25.00 H new ATOM 0 HB3 LEU A 50 32.678 0.454 18.620 1.00 25.00 H new ATOM 0 HG LEU A 50 32.866 2.856 17.797 1.00 25.00 H new ATOM 0 HD11 LEU A 50 31.086 4.411 18.457 1.00 50.00 H new ATOM 0 HD12 LEU A 50 30.527 3.246 17.234 1.00 50.00 H new ATOM 0 HD13 LEU A 50 30.065 3.037 18.940 1.00 50.00 H new ATOM 0 HD21 LEU A 50 32.811 3.757 20.103 1.00 50.00 H new ATOM 0 HD22 LEU A 50 31.866 2.342 20.625 1.00 50.00 H new ATOM 0 HD23 LEU A 50 33.537 2.133 20.052 1.00 50.00 H new ATOM 762 N LYS A 51 33.795 -0.062 16.082 1.00 25.00 N ATOM 763 CA LYS A 51 35.069 0.020 15.372 1.00 25.00 C ATOM 764 C LYS A 51 34.828 0.103 13.871 1.00 25.00 C ATOM 765 O LYS A 51 35.405 0.949 13.187 1.00 25.00 O ATOM 766 CB LYS A 51 35.922 -1.198 15.746 1.00 25.00 C ATOM 767 CG LYS A 51 37.348 -1.204 15.211 1.00 25.00 C ATOM 768 CD LYS A 51 38.055 -2.490 15.624 1.00 25.00 C ATOM 769 CE LYS A 51 39.453 -2.586 15.038 1.00 25.00 C ATOM 770 NZ LYS A 51 40.058 -3.935 15.323 1.00 25.00 N ATOM 0 H LYS A 51 33.693 -0.901 16.653 1.00 25.00 H new ATOM 0 HA LYS A 51 35.607 0.923 15.662 1.00 25.00 H new ATOM 0 HB2 LYS A 51 35.963 -1.268 16.833 1.00 25.00 H new ATOM 0 HB3 LYS A 51 35.417 -2.095 15.387 1.00 25.00 H new ATOM 0 HG2 LYS A 51 37.338 -1.118 14.124 1.00 25.00 H new ATOM 0 HG3 LYS A 51 37.892 -0.341 15.594 1.00 25.00 H new ATOM 0 HD2 LYS A 51 38.114 -2.538 16.711 1.00 25.00 H new ATOM 0 HD3 LYS A 51 37.466 -3.348 15.299 1.00 25.00 H new ATOM 0 HE2 LYS A 51 39.414 -2.420 13.961 1.00 25.00 H new ATOM 0 HE3 LYS A 51 40.084 -1.803 15.459 1.00 25.00 H new ATOM 0 HZ1 LYS A 51 41.034 -3.813 15.662 1.00 25.00 H new ATOM 0 HZ2 LYS A 51 39.497 -4.420 16.052 1.00 25.00 H new ATOM 0 HZ3 LYS A 51 40.062 -4.504 14.453 1.00 25.00 H new ATOM 784 N GLU A 52 33.934 -0.735 13.369 1.00 25.00 N ATOM 785 CA GLU A 52 33.603 -0.737 11.945 1.00 25.00 C ATOM 786 C GLU A 52 32.855 0.532 11.536 1.00 25.00 C ATOM 787 O GLU A 52 33.149 1.115 10.484 1.00 25.00 O ATOM 788 CB GLU A 52 32.774 -1.978 11.597 1.00 25.00 C ATOM 789 CG GLU A 52 33.574 -3.272 11.729 1.00 25.00 C ATOM 790 CD GLU A 52 32.803 -4.504 11.279 1.00 25.00 C ATOM 791 OE1 GLU A 52 32.305 -4.524 10.131 1.00 25.00 O ATOM 792 OE2 GLU A 52 32.708 -5.486 12.048 1.00 25.00 O ATOM 0 H GLU A 52 33.423 -1.423 13.922 1.00 25.00 H new ATOM 0 HA GLU A 52 34.539 -0.762 11.387 1.00 25.00 H new ATOM 0 HB2 GLU A 52 31.903 -2.025 12.251 1.00 25.00 H new ATOM 0 HB3 GLU A 52 32.401 -1.888 10.577 1.00 25.00 H new ATOM 0 HG2 GLU A 52 34.487 -3.188 11.140 1.00 25.00 H new ATOM 0 HG3 GLU A 52 33.876 -3.400 12.769 1.00 25.00 H new ATOM 799 N SER A 53 31.942 1.001 12.379 1.00 25.00 N ATOM 800 CA SER A 53 31.200 2.237 12.116 1.00 25.00 C ATOM 801 C SER A 53 32.104 3.461 12.023 1.00 25.00 C ATOM 802 O SER A 53 31.875 4.345 11.194 1.00 25.00 O ATOM 803 CB SER A 53 30.174 2.496 13.219 1.00 25.00 C ATOM 804 OG SER A 53 29.233 1.442 13.308 1.00 25.00 O ATOM 0 H SER A 53 31.694 0.544 13.256 1.00 25.00 H new ATOM 0 HA SER A 53 30.710 2.089 11.154 1.00 25.00 H new ATOM 0 HB2 SER A 53 30.686 2.610 14.174 1.00 25.00 H new ATOM 0 HB3 SER A 53 29.655 3.434 13.022 1.00 25.00 H new ATOM 0 HG SER A 53 29.663 0.652 13.697 1.00 25.00 H new ATOM 810 N TYR A 54 33.135 3.526 12.852 1.00 25.00 N ATOM 811 CA TYR A 54 34.081 4.639 12.793 1.00 25.00 C ATOM 812 C TYR A 54 34.976 4.556 11.564 1.00 25.00 C ATOM 813 O TYR A 54 35.225 5.562 10.899 1.00 25.00 O ATOM 814 CB TYR A 54 34.941 4.675 14.054 1.00 25.00 C ATOM 815 CG TYR A 54 34.423 5.681 15.055 1.00 25.00 C ATOM 816 CD1 TYR A 54 33.364 5.366 15.931 1.00 25.00 C ATOM 817 CD2 TYR A 54 34.978 6.977 15.109 1.00 25.00 C ATOM 818 CE1 TYR A 54 32.876 6.330 16.859 1.00 25.00 C ATOM 819 CE2 TYR A 54 34.491 7.938 16.029 1.00 25.00 C ATOM 820 CZ TYR A 54 33.451 7.604 16.899 1.00 25.00 C ATOM 821 OH TYR A 54 33.002 8.545 17.790 1.00 25.00 O ATOM 0 H TYR A 54 33.340 2.830 13.569 1.00 25.00 H new ATOM 0 HA TYR A 54 33.497 5.557 12.725 1.00 25.00 H new ATOM 0 HB2 TYR A 54 34.960 3.685 14.510 1.00 25.00 H new ATOM 0 HB3 TYR A 54 35.968 4.923 13.787 1.00 25.00 H new ATOM 0 HD1 TYR A 54 32.918 4.383 15.898 1.00 25.00 H new ATOM 0 HD2 TYR A 54 35.784 7.240 14.440 1.00 25.00 H new ATOM 0 HE1 TYR A 54 32.066 6.078 17.528 1.00 25.00 H new ATOM 0 HE2 TYR A 54 34.923 8.927 16.057 1.00 25.00 H new ATOM 0 HH TYR A 54 33.516 9.372 17.679 1.00 25.00 H new ATOM 831 N CYS A 55 35.428 3.362 11.211 1.00 25.00 N ATOM 832 CA CYS A 55 36.256 3.220 10.017 1.00 25.00 C ATOM 833 C CYS A 55 35.486 3.594 8.753 1.00 25.00 C ATOM 834 O CYS A 55 36.006 4.333 7.922 1.00 25.00 O ATOM 835 CB CYS A 55 36.809 1.801 9.933 1.00 25.00 C ATOM 836 SG CYS A 55 37.987 1.488 11.266 1.00 25.00 S ATOM 0 H CYS A 55 35.243 2.496 11.717 1.00 25.00 H new ATOM 0 HA CYS A 55 37.093 3.914 10.094 1.00 25.00 H new ATOM 0 HB2 CYS A 55 35.990 1.084 9.990 1.00 25.00 H new ATOM 0 HB3 CYS A 55 37.296 1.653 8.969 1.00 25.00 H new ATOM 0 HG CYS A 55 38.028 0.213 11.518 1.00 25.00 H new ATOM 841 N GLN A 56 34.234 3.175 8.617 1.00 25.00 N ATOM 842 CA GLN A 56 33.470 3.551 7.423 1.00 25.00 C ATOM 843 C GLN A 56 33.084 5.034 7.422 1.00 25.00 C ATOM 844 O GLN A 56 32.919 5.628 6.358 1.00 25.00 O ATOM 845 CB GLN A 56 32.252 2.639 7.220 1.00 25.00 C ATOM 846 CG GLN A 56 31.084 2.849 8.171 1.00 25.00 C ATOM 847 CD GLN A 56 30.045 1.757 8.057 1.00 25.00 C ATOM 848 OE1 GLN A 56 30.319 0.595 8.331 1.00 25.00 O ATOM 849 NE2 GLN A 56 28.851 2.106 7.668 1.00 25.00 N ATOM 0 H GLN A 56 33.735 2.594 9.291 1.00 25.00 H new ATOM 0 HA GLN A 56 34.129 3.404 6.567 1.00 25.00 H new ATOM 0 HB2 GLN A 56 31.891 2.773 6.200 1.00 25.00 H new ATOM 0 HB3 GLN A 56 32.582 1.604 7.307 1.00 25.00 H new ATOM 0 HG2 GLN A 56 31.455 2.888 9.195 1.00 25.00 H new ATOM 0 HG3 GLN A 56 30.619 3.813 7.964 1.00 25.00 H new ATOM 0 HE21 GLN A 56 28.652 3.081 7.446 1.00 25.00 H new ATOM 0 HE22 GLN A 56 28.116 1.404 7.585 1.00 25.00 H new ATOM 858 N ARG A 57 33.016 5.663 8.591 1.00 25.00 N ATOM 859 CA ARG A 57 32.772 7.109 8.675 1.00 25.00 C ATOM 860 C ARG A 57 33.968 7.886 8.137 1.00 25.00 C ATOM 861 O ARG A 57 33.810 8.850 7.387 1.00 25.00 O ATOM 862 CB ARG A 57 32.510 7.507 10.132 1.00 25.00 C ATOM 863 CG ARG A 57 32.032 8.938 10.341 1.00 25.00 C ATOM 864 CD ARG A 57 31.932 9.263 11.825 1.00 25.00 C ATOM 865 NE ARG A 57 30.969 8.421 12.551 1.00 25.00 N ATOM 866 CZ ARG A 57 30.719 8.468 13.852 1.00 25.00 C ATOM 867 NH1 ARG A 57 31.342 9.267 14.680 1.00 25.00 N ATOM 868 NH2 ARG A 57 29.805 7.671 14.326 1.00 25.00 N ATOM 0 H ARG A 57 33.125 5.201 9.494 1.00 25.00 H new ATOM 0 HA ARG A 57 31.898 7.350 8.070 1.00 25.00 H new ATOM 0 HB2 ARG A 57 31.765 6.828 10.548 1.00 25.00 H new ATOM 0 HB3 ARG A 57 33.428 7.361 10.702 1.00 25.00 H new ATOM 0 HG2 ARG A 57 32.721 9.631 9.858 1.00 25.00 H new ATOM 0 HG3 ARG A 57 31.060 9.074 9.868 1.00 25.00 H new ATOM 0 HD2 ARG A 57 32.916 9.149 12.280 1.00 25.00 H new ATOM 0 HD3 ARG A 57 31.646 10.309 11.941 1.00 25.00 H new ATOM 0 HE ARG A 57 30.445 7.738 12.003 1.00 25.00 H new ATOM 0 HH11 ARG A 57 32.064 9.899 14.333 1.00 25.00 H new ATOM 0 HH12 ARG A 57 31.106 9.258 15.672 1.00 25.00 H new ATOM 0 HH21 ARG A 57 29.307 7.037 13.701 1.00 25.00 H new ATOM 0 HH22 ARG A 57 29.587 7.681 15.322 1.00 25.00 H new ATOM 882 N GLN A 58 35.167 7.444 8.490 1.00 25.00 N ATOM 883 CA GLN A 58 36.391 8.083 8.007 1.00 25.00 C ATOM 884 C GLN A 58 36.723 7.618 6.579 1.00 25.00 C ATOM 885 O GLN A 58 37.543 8.219 5.891 1.00 25.00 O ATOM 886 CB GLN A 58 37.533 7.827 9.001 1.00 25.00 C ATOM 887 CG GLN A 58 38.772 8.701 8.777 1.00 25.00 C ATOM 888 CD GLN A 58 39.839 8.550 9.842 1.00 25.00 C ATOM 889 OE1 GLN A 58 39.586 8.691 11.032 1.00 25.00 O ATOM 890 NE2 GLN A 58 41.048 8.302 9.423 1.00 25.00 N ATOM 0 H GLN A 58 35.322 6.647 9.108 1.00 25.00 H new ATOM 0 HA GLN A 58 36.245 9.162 7.949 1.00 25.00 H new ATOM 0 HB2 GLN A 58 37.163 7.994 10.013 1.00 25.00 H new ATOM 0 HB3 GLN A 58 37.826 6.779 8.938 1.00 25.00 H new ATOM 0 HG2 GLN A 58 39.205 8.456 7.807 1.00 25.00 H new ATOM 0 HG3 GLN A 58 38.463 9.745 8.733 1.00 25.00 H new ATOM 0 HE21 GLN A 58 41.229 8.189 8.426 1.00 25.00 H new ATOM 0 HE22 GLN A 58 41.813 8.221 10.093 1.00 25.00 H new ATOM 899 N GLY A 59 36.059 6.574 6.104 1.00 25.00 N ATOM 900 CA GLY A 59 36.242 6.119 4.734 1.00 25.00 C ATOM 901 C GLY A 59 37.475 5.256 4.539 1.00 25.00 C ATOM 902 O GLY A 59 38.085 5.261 3.466 1.00 25.00 O ATOM 0 H GLY A 59 35.390 6.027 6.646 1.00 25.00 H new ATOM 0 HA2 GLY A 59 35.362 5.554 4.427 1.00 25.00 H new ATOM 0 HA3 GLY A 59 36.309 6.987 4.078 1.00 25.00 H new ATOM 906 N VAL A 60 37.861 4.537 5.584 1.00 25.00 N ATOM 907 CA VAL A 60 39.080 3.721 5.600 1.00 25.00 C ATOM 908 C VAL A 60 38.672 2.279 5.916 1.00 25.00 C ATOM 909 O VAL A 60 37.581 2.066 6.458 1.00 25.00 O ATOM 910 CB VAL A 60 40.102 4.291 6.639 1.00 25.00 C ATOM 911 CG1 VAL A 60 40.570 5.691 6.212 1.00 50.00 C ATOM 912 CG2 VAL A 60 39.504 4.362 8.052 1.00 50.00 C ATOM 0 H VAL A 60 37.335 4.500 6.457 1.00 25.00 H new ATOM 0 HA VAL A 60 39.580 3.745 4.632 1.00 25.00 H new ATOM 0 HB VAL A 60 40.951 3.608 6.664 1.00 25.00 H new ATOM 0 HG11 VAL A 60 41.281 6.076 6.943 1.00 50.00 H new ATOM 0 HG12 VAL A 60 41.051 5.632 5.235 1.00 50.00 H new ATOM 0 HG13 VAL A 60 39.711 6.360 6.154 1.00 50.00 H new ATOM 0 HG21 VAL A 60 40.247 4.763 8.742 1.00 50.00 H new ATOM 0 HG22 VAL A 60 38.628 5.011 8.044 1.00 50.00 H new ATOM 0 HG23 VAL A 60 39.212 3.362 8.374 1.00 50.00 H new ATOM 922 N PRO A 61 39.498 1.274 5.563 1.00 25.00 N ATOM 923 CA PRO A 61 39.012 -0.087 5.833 1.00 25.00 C ATOM 924 C PRO A 61 38.949 -0.445 7.322 1.00 25.00 C ATOM 925 O PRO A 61 39.502 0.253 8.178 1.00 25.00 O ATOM 926 CB PRO A 61 39.999 -0.957 5.050 1.00 25.00 C ATOM 927 CG PRO A 61 41.258 -0.198 5.093 1.00 25.00 C ATOM 928 CD PRO A 61 40.819 1.235 4.904 1.00 25.00 C ATOM 0 HA PRO A 61 37.975 -0.225 5.526 1.00 25.00 H new ATOM 0 HB2 PRO A 61 40.111 -1.941 5.505 1.00 25.00 H new ATOM 0 HB3 PRO A 61 39.664 -1.116 4.025 1.00 25.00 H new ATOM 0 HG2 PRO A 61 41.777 -0.336 6.042 1.00 25.00 H new ATOM 0 HG3 PRO A 61 41.943 -0.514 4.306 1.00 25.00 H new ATOM 0 HD2 PRO A 61 41.518 1.934 5.363 1.00 25.00 H new ATOM 0 HD3 PRO A 61 40.750 1.499 3.849 1.00 25.00 H new ATOM 936 N MET A 62 38.224 -1.515 7.618 1.00 25.00 N ATOM 937 CA MET A 62 37.631 -1.773 8.935 1.00 25.00 C ATOM 938 C MET A 62 38.509 -1.819 10.187 1.00 25.00 C ATOM 939 O MET A 62 37.985 -1.643 11.285 1.00 25.00 O ATOM 940 CB MET A 62 36.842 -3.085 8.863 1.00 25.00 C ATOM 941 CG MET A 62 37.699 -4.342 8.684 1.00 25.00 C ATOM 942 SD MET A 62 36.718 -5.857 8.559 1.00 25.00 S ATOM 943 CE MET A 62 36.147 -6.088 10.256 1.00 25.00 C ATOM 0 H MET A 62 38.024 -2.248 6.938 1.00 25.00 H new ATOM 0 HA MET A 62 37.042 -0.870 9.095 1.00 25.00 H new ATOM 0 HB2 MET A 62 36.255 -3.190 9.775 1.00 25.00 H new ATOM 0 HB3 MET A 62 36.136 -3.023 8.035 1.00 25.00 H new ATOM 0 HG2 MET A 62 38.307 -4.235 7.786 1.00 25.00 H new ATOM 0 HG3 MET A 62 38.386 -4.429 9.526 1.00 25.00 H new ATOM 0 HE1 MET A 62 36.384 -7.100 10.585 1.00 25.00 H new ATOM 0 HE2 MET A 62 36.643 -5.369 10.908 1.00 25.00 H new ATOM 0 HE3 MET A 62 35.069 -5.935 10.301 1.00 25.00 H new ATOM 953 N ASN A 63 39.810 -2.038 10.062 1.00 25.00 N ATOM 954 CA ASN A 63 40.703 -2.117 11.221 1.00 25.00 C ATOM 955 C ASN A 63 41.715 -0.973 11.264 1.00 25.00 C ATOM 956 O ASN A 63 42.673 -1.008 12.033 1.00 25.00 O ATOM 957 CB ASN A 63 41.403 -3.483 11.247 1.00 25.00 C ATOM 958 CG ASN A 63 40.444 -4.617 11.523 1.00 25.00 C ATOM 959 OD1 ASN A 63 39.523 -4.484 12.317 1.00 25.00 O ATOM 960 ND2 ASN A 63 40.636 -5.729 10.875 1.00 25.00 N ATOM 0 H ASN A 63 40.278 -2.166 9.165 1.00 25.00 H new ATOM 0 HA ASN A 63 40.092 -2.012 12.117 1.00 25.00 H new ATOM 0 HB2 ASN A 63 41.897 -3.653 10.290 1.00 25.00 H new ATOM 0 HB3 ASN A 63 42.181 -3.475 12.010 1.00 25.00 H new ATOM 0 HD21 ASN A 63 40.009 -6.520 11.023 1.00 25.00 H new ATOM 0 HD22 ASN A 63 41.413 -5.809 10.219 1.00 25.00 H new ATOM 967 N SER A 64 41.508 0.056 10.455 1.00 25.00 N ATOM 968 CA SER A 64 42.440 1.190 10.412 1.00 25.00 C ATOM 969 C SER A 64 42.392 2.088 11.643 1.00 25.00 C ATOM 970 O SER A 64 43.311 2.867 11.892 1.00 25.00 O ATOM 971 CB SER A 64 42.128 2.065 9.209 1.00 25.00 C ATOM 972 OG SER A 64 42.063 1.276 8.037 1.00 25.00 O ATOM 0 H SER A 64 40.712 0.136 9.822 1.00 25.00 H new ATOM 0 HA SER A 64 43.433 0.743 10.360 1.00 25.00 H new ATOM 0 HB2 SER A 64 41.181 2.582 9.362 1.00 25.00 H new ATOM 0 HB3 SER A 64 42.895 2.831 9.098 1.00 25.00 H new ATOM 0 HG SER A 64 41.182 0.851 7.977 1.00 25.00 H new ATOM 978 N LEU A 65 41.309 1.997 12.396 1.00 25.00 N ATOM 979 CA LEU A 65 41.115 2.792 13.603 1.00 25.00 C ATOM 980 C LEU A 65 40.711 1.798 14.679 1.00 25.00 C ATOM 981 O LEU A 65 39.999 0.836 14.370 1.00 25.00 O ATOM 982 CB LEU A 65 39.986 3.804 13.402 1.00 25.00 C ATOM 983 CG LEU A 65 40.068 4.842 12.277 1.00 25.00 C ATOM 984 CD1 LEU A 65 38.747 5.603 12.225 1.00 50.00 C ATOM 985 CD2 LEU A 65 41.226 5.802 12.464 1.00 50.00 C ATOM 0 H LEU A 65 40.534 1.367 12.189 1.00 25.00 H new ATOM 0 HA LEU A 65 42.016 3.348 13.863 1.00 25.00 H new ATOM 0 HB2 LEU A 65 39.068 3.237 13.251 1.00 25.00 H new ATOM 0 HB3 LEU A 65 39.873 4.351 14.338 1.00 25.00 H new ATOM 0 HG LEU A 65 40.246 4.322 11.336 1.00 25.00 H new ATOM 0 HD11 LEU A 65 38.787 6.347 11.429 1.00 50.00 H new ATOM 0 HD12 LEU A 65 37.933 4.905 12.029 1.00 50.00 H new ATOM 0 HD13 LEU A 65 38.576 6.101 13.179 1.00 50.00 H new ATOM 0 HD21 LEU A 65 41.242 6.518 11.642 1.00 50.00 H new ATOM 0 HD22 LEU A 65 41.108 6.335 13.407 1.00 50.00 H new ATOM 0 HD23 LEU A 65 42.162 5.244 12.477 1.00 50.00 H new ATOM 997 N ARG A 66 41.124 2.018 15.918 1.00 25.00 N ATOM 998 CA ARG A 66 40.814 1.102 17.022 1.00 25.00 C ATOM 999 C ARG A 66 40.698 1.890 18.317 1.00 25.00 C ATOM 1000 O ARG A 66 41.181 3.018 18.389 1.00 25.00 O ATOM 1001 CB ARG A 66 41.894 0.010 17.112 1.00 25.00 C ATOM 1002 CG ARG A 66 43.313 0.501 17.391 1.00 25.00 C ATOM 1003 CD ARG A 66 44.300 -0.662 17.350 1.00 25.00 C ATOM 1004 NE ARG A 66 45.691 -0.229 17.542 1.00 25.00 N ATOM 1005 CZ ARG A 66 46.339 -0.108 18.693 1.00 25.00 C ATOM 1006 NH1 ARG A 66 45.838 -0.414 19.856 1.00 25.00 N ATOM 1007 NH2 ARG A 66 47.565 0.328 18.669 1.00 25.00 N ATOM 0 H ARG A 66 41.680 2.828 16.192 1.00 25.00 H new ATOM 0 HA ARG A 66 39.859 0.608 16.842 1.00 25.00 H new ATOM 0 HB2 ARG A 66 41.611 -0.691 17.898 1.00 25.00 H new ATOM 0 HB3 ARG A 66 41.900 -0.547 16.175 1.00 25.00 H new ATOM 0 HG2 ARG A 66 43.596 1.252 16.653 1.00 25.00 H new ATOM 0 HG3 ARG A 66 43.351 0.984 18.368 1.00 25.00 H new ATOM 0 HD2 ARG A 66 44.038 -1.384 18.124 1.00 25.00 H new ATOM 0 HD3 ARG A 66 44.212 -1.175 16.392 1.00 25.00 H new ATOM 0 HE ARG A 66 46.215 0.004 16.699 1.00 25.00 H new ATOM 0 HH11 ARG A 66 44.886 -0.774 19.922 1.00 25.00 H new ATOM 0 HH12 ARG A 66 46.398 -0.294 20.700 1.00 25.00 H new ATOM 0 HH21 ARG A 66 48.004 0.567 17.780 1.00 25.00 H new ATOM 0 HH22 ARG A 66 48.087 0.431 19.539 1.00 25.00 H new ATOM 1021 N PHE A 67 40.070 1.297 19.321 1.00 25.00 N ATOM 1022 CA PHE A 67 39.872 1.926 20.627 1.00 25.00 C ATOM 1023 C PHE A 67 40.738 1.151 21.609 1.00 25.00 C ATOM 1024 O PHE A 67 40.937 -0.055 21.439 1.00 25.00 O ATOM 1025 CB PHE A 67 38.409 1.836 21.076 1.00 25.00 C ATOM 1026 CG PHE A 67 37.448 2.607 20.208 1.00 25.00 C ATOM 1027 CD1 PHE A 67 36.908 2.038 19.037 1.00 25.00 C ATOM 1028 CD2 PHE A 67 37.060 3.906 20.577 1.00 25.00 C ATOM 1029 CE1 PHE A 67 36.009 2.773 18.221 1.00 25.00 C ATOM 1030 CE2 PHE A 67 36.158 4.652 19.774 1.00 25.00 C ATOM 1031 CZ PHE A 67 35.640 4.086 18.592 1.00 25.00 C ATOM 0 H PHE A 67 39.678 0.357 19.256 1.00 25.00 H new ATOM 0 HA PHE A 67 40.136 2.982 20.579 1.00 25.00 H new ATOM 0 HB2 PHE A 67 38.109 0.788 21.089 1.00 25.00 H new ATOM 0 HB3 PHE A 67 38.331 2.203 22.099 1.00 25.00 H new ATOM 0 HD1 PHE A 67 37.181 1.031 18.757 1.00 25.00 H new ATOM 0 HD2 PHE A 67 37.453 4.343 21.483 1.00 25.00 H new ATOM 0 HE1 PHE A 67 35.609 2.331 17.321 1.00 25.00 H new ATOM 0 HE2 PHE A 67 35.870 5.650 20.068 1.00 25.00 H new ATOM 0 HZ PHE A 67 34.963 4.654 17.971 1.00 25.00 H new ATOM 1041 N LEU A 68 41.261 1.826 22.618 1.00 25.00 N ATOM 1042 CA LEU A 68 42.196 1.231 23.573 1.00 25.00 C ATOM 1043 C LEU A 68 42.072 2.057 24.845 1.00 25.00 C ATOM 1044 O LEU A 68 41.436 3.110 24.822 1.00 25.00 O ATOM 1045 CB LEU A 68 43.638 1.248 23.026 1.00 25.00 C ATOM 1046 CG LEU A 68 44.497 2.523 22.971 1.00 25.00 C ATOM 1047 CD1 LEU A 68 45.898 2.171 22.471 1.00 50.00 C ATOM 1048 CD2 LEU A 68 43.939 3.611 22.077 1.00 50.00 C ATOM 0 H LEU A 68 41.052 2.807 22.804 1.00 25.00 H new ATOM 0 HA LEU A 68 41.962 0.183 23.760 1.00 25.00 H new ATOM 0 HB2 LEU A 68 44.200 0.521 23.612 1.00 25.00 H new ATOM 0 HB3 LEU A 68 43.587 0.865 22.007 1.00 25.00 H new ATOM 0 HG LEU A 68 44.509 2.916 23.988 1.00 25.00 H new ATOM 0 HD11 LEU A 68 46.508 3.074 22.432 1.00 50.00 H new ATOM 0 HD12 LEU A 68 46.357 1.453 23.150 1.00 50.00 H new ATOM 0 HD13 LEU A 68 45.830 1.735 21.474 1.00 50.00 H new ATOM 0 HD21 LEU A 68 44.605 4.474 22.095 1.00 50.00 H new ATOM 0 HD22 LEU A 68 43.857 3.237 21.056 1.00 50.00 H new ATOM 0 HD23 LEU A 68 42.953 3.906 22.435 1.00 50.00 H new ATOM 1060 N PHE A 69 42.668 1.615 25.940 1.00 25.00 N ATOM 1061 CA PHE A 69 42.677 2.405 27.169 1.00 25.00 C ATOM 1062 C PHE A 69 43.978 2.127 27.906 1.00 25.00 C ATOM 1063 O PHE A 69 44.333 0.965 28.097 1.00 25.00 O ATOM 1064 CB PHE A 69 41.457 2.030 28.016 1.00 25.00 C ATOM 1065 CG PHE A 69 41.420 2.696 29.362 1.00 25.00 C ATOM 1066 CD1 PHE A 69 41.346 4.095 29.474 1.00 25.00 C ATOM 1067 CD2 PHE A 69 41.447 1.915 30.533 1.00 25.00 C ATOM 1068 CE1 PHE A 69 41.322 4.712 30.747 1.00 25.00 C ATOM 1069 CE2 PHE A 69 41.399 2.517 31.812 1.00 25.00 C ATOM 1070 CZ PHE A 69 41.336 3.920 31.918 1.00 25.00 C ATOM 0 H PHE A 69 43.151 0.719 26.008 1.00 25.00 H new ATOM 0 HA PHE A 69 42.619 3.472 26.953 1.00 25.00 H new ATOM 0 HB2 PHE A 69 40.552 2.292 27.467 1.00 25.00 H new ATOM 0 HB3 PHE A 69 41.443 0.949 28.156 1.00 25.00 H new ATOM 0 HD1 PHE A 69 41.307 4.703 28.582 1.00 25.00 H new ATOM 0 HD2 PHE A 69 41.505 0.840 30.453 1.00 25.00 H new ATOM 0 HE1 PHE A 69 41.293 5.789 30.824 1.00 25.00 H new ATOM 0 HE2 PHE A 69 41.411 1.905 32.702 1.00 25.00 H new ATOM 0 HZ PHE A 69 41.299 4.389 32.890 1.00 25.00 H new ATOM 1080 N GLU A 70 44.709 3.182 28.254 1.00 25.00 N ATOM 1081 CA GLU A 70 46.020 3.110 28.924 1.00 25.00 C ATOM 1082 C GLU A 70 47.043 2.334 28.090 1.00 25.00 C ATOM 1083 O GLU A 70 47.969 1.700 28.604 1.00 25.00 O ATOM 1084 CB GLU A 70 45.898 2.570 30.357 1.00 25.00 C ATOM 1085 CG GLU A 70 44.974 3.430 31.201 1.00 25.00 C ATOM 1086 CD GLU A 70 44.921 3.020 32.658 1.00 25.00 C ATOM 1087 OE1 GLU A 70 44.881 1.812 32.986 1.00 25.00 O ATOM 1088 OE2 GLU A 70 44.928 3.925 33.525 1.00 25.00 O ATOM 0 H GLU A 70 44.405 4.139 28.077 1.00 25.00 H new ATOM 0 HA GLU A 70 46.398 4.129 29.008 1.00 25.00 H new ATOM 0 HB2 GLU A 70 45.521 1.548 30.330 1.00 25.00 H new ATOM 0 HB3 GLU A 70 46.885 2.534 30.818 1.00 25.00 H new ATOM 0 HG2 GLU A 70 45.299 4.468 31.137 1.00 25.00 H new ATOM 0 HG3 GLU A 70 43.968 3.385 30.783 1.00 25.00 H new ATOM 1095 N GLY A 71 46.853 2.377 26.777 1.00 25.00 N ATOM 1096 CA GLY A 71 47.679 1.644 25.831 1.00 25.00 C ATOM 1097 C GLY A 71 47.316 0.183 25.659 1.00 25.00 C ATOM 1098 O GLY A 71 47.818 -0.495 24.764 1.00 25.00 O ATOM 0 H GLY A 71 46.115 2.927 26.337 1.00 25.00 H new ATOM 0 HA2 GLY A 71 47.615 2.135 24.860 1.00 25.00 H new ATOM 0 HA3 GLY A 71 48.718 1.709 26.153 1.00 25.00 H new ATOM 1102 N GLN A 72 46.460 -0.321 26.530 1.00 25.00 N ATOM 1103 CA GLN A 72 46.131 -1.740 26.585 1.00 25.00 C ATOM 1104 C GLN A 72 44.872 -2.013 25.764 1.00 25.00 C ATOM 1105 O GLN A 72 44.023 -1.127 25.602 1.00 25.00 O ATOM 1106 CB GLN A 72 45.929 -2.149 28.048 1.00 25.00 C ATOM 1107 CG GLN A 72 47.151 -1.888 28.932 1.00 25.00 C ATOM 1108 CD GLN A 72 46.950 -2.282 30.383 1.00 25.00 C ATOM 1109 OE1 GLN A 72 45.970 -1.914 31.033 1.00 25.00 O ATOM 1110 NE2 GLN A 72 47.892 -3.005 30.920 1.00 25.00 N ATOM 0 H GLN A 72 45.969 0.243 27.224 1.00 25.00 H new ATOM 0 HA GLN A 72 46.945 -2.328 26.162 1.00 25.00 H new ATOM 0 HB2 GLN A 72 45.075 -1.606 28.454 1.00 25.00 H new ATOM 0 HB3 GLN A 72 45.681 -3.210 28.089 1.00 25.00 H new ATOM 0 HG2 GLN A 72 48.003 -2.437 28.530 1.00 25.00 H new ATOM 0 HG3 GLN A 72 47.403 -0.829 28.884 1.00 25.00 H new ATOM 0 HE21 GLN A 72 48.693 -3.297 30.360 1.00 25.00 H new ATOM 0 HE22 GLN A 72 47.828 -3.279 31.900 1.00 25.00 H new ATOM 1119 N ARG A 73 44.758 -3.227 25.240 1.00 25.00 N ATOM 1120 CA ARG A 73 43.612 -3.611 24.411 1.00 25.00 C ATOM 1121 C ARG A 73 42.398 -3.767 25.313 1.00 25.00 C ATOM 1122 O ARG A 73 42.544 -4.104 26.494 1.00 25.00 O ATOM 1123 CB ARG A 73 43.873 -4.935 23.676 1.00 25.00 C ATOM 1124 CG ARG A 73 45.101 -4.916 22.761 1.00 25.00 C ATOM 1125 CD ARG A 73 45.252 -6.190 21.920 1.00 25.00 C ATOM 1126 NE ARG A 73 45.384 -7.417 22.723 1.00 25.00 N ATOM 1127 CZ ARG A 73 45.710 -8.623 22.272 1.00 25.00 C ATOM 1128 NH1 ARG A 73 46.131 -8.871 21.058 1.00 25.00 N ATOM 1129 NH2 ARG A 73 45.623 -9.626 23.094 1.00 25.00 N ATOM 0 H ARG A 73 45.446 -3.968 25.373 1.00 25.00 H new ATOM 0 HA ARG A 73 43.443 -2.838 23.662 1.00 25.00 H new ATOM 0 HB2 ARG A 73 43.996 -5.728 24.413 1.00 25.00 H new ATOM 0 HB3 ARG A 73 42.995 -5.186 23.081 1.00 25.00 H new ATOM 0 HG2 ARG A 73 45.036 -4.055 22.095 1.00 25.00 H new ATOM 0 HG3 ARG A 73 45.996 -4.782 23.369 1.00 25.00 H new ATOM 0 HD2 ARG A 73 44.387 -6.287 21.264 1.00 25.00 H new ATOM 0 HD3 ARG A 73 46.128 -6.090 21.279 1.00 25.00 H new ATOM 0 HE ARG A 73 45.208 -7.333 23.724 1.00 25.00 H new ATOM 0 HH11 ARG A 73 46.227 -8.110 20.386 1.00 25.00 H new ATOM 0 HH12 ARG A 73 46.363 -9.826 20.784 1.00 25.00 H new ATOM 0 HH21 ARG A 73 45.312 -9.474 24.053 1.00 25.00 H new ATOM 0 HH22 ARG A 73 45.866 -10.565 22.780 1.00 25.00 H new ATOM 1143 N ILE A 74 41.214 -3.567 24.761 1.00 25.00 N ATOM 1144 CA ILE A 74 39.955 -3.709 25.494 1.00 25.00 C ATOM 1145 C ILE A 74 39.082 -4.727 24.760 1.00 25.00 C ATOM 1146 O ILE A 74 39.334 -5.047 23.590 1.00 25.00 O ATOM 1147 CB ILE A 74 39.236 -2.335 25.689 1.00 25.00 C ATOM 1148 CG1 ILE A 74 38.848 -1.704 24.337 1.00 25.00 C ATOM 1149 CG2 ILE A 74 40.143 -1.378 26.510 1.00 25.00 C ATOM 1150 CD1 ILE A 74 37.963 -0.466 24.429 1.00 25.00 C ATOM 0 H ILE A 74 41.092 -3.299 23.784 1.00 25.00 H new ATOM 0 HA ILE A 74 40.156 -4.074 26.501 1.00 25.00 H new ATOM 0 HB ILE A 74 38.312 -2.506 26.241 1.00 25.00 H new ATOM 0 HG12 ILE A 74 39.760 -1.440 23.802 1.00 25.00 H new ATOM 0 HG13 ILE A 74 38.333 -2.455 23.738 1.00 25.00 H new ATOM 0 HG21 ILE A 74 39.637 -0.422 26.643 1.00 25.00 H new ATOM 0 HG22 ILE A 74 40.348 -1.819 27.486 1.00 25.00 H new ATOM 0 HG23 ILE A 74 41.082 -1.221 25.978 1.00 25.00 H new ATOM 0 HD11 ILE A 74 37.747 -0.098 23.426 1.00 25.00 H new ATOM 0 HD12 ILE A 74 37.030 -0.722 24.931 1.00 25.00 H new ATOM 0 HD13 ILE A 74 38.479 0.309 24.996 1.00 25.00 H new ATOM 1162 N ALA A 75 38.102 -5.280 25.458 1.00 25.00 N ATOM 1163 CA ALA A 75 37.261 -6.337 24.901 1.00 25.00 C ATOM 1164 C ALA A 75 36.433 -5.867 23.700 1.00 25.00 C ATOM 1165 O ALA A 75 35.942 -4.743 23.664 1.00 25.00 O ATOM 1166 CB ALA A 75 36.342 -6.882 25.995 1.00 25.00 C ATOM 0 H ALA A 75 37.866 -5.016 26.415 1.00 25.00 H new ATOM 0 HA ALA A 75 37.921 -7.123 24.536 1.00 25.00 H new ATOM 0 HB1 ALA A 75 35.713 -7.671 25.582 1.00 25.00 H new ATOM 0 HB2 ALA A 75 36.945 -7.286 26.808 1.00 25.00 H new ATOM 0 HB3 ALA A 75 35.712 -6.078 26.375 1.00 25.00 H new ATOM 1172 N ASP A 76 36.207 -6.751 22.740 1.00 25.00 N ATOM 1173 CA ASP A 76 35.425 -6.399 21.549 1.00 25.00 C ATOM 1174 C ASP A 76 33.923 -6.274 21.824 1.00 25.00 C ATOM 1175 O ASP A 76 33.172 -5.750 21.008 1.00 25.00 O ATOM 1176 CB ASP A 76 35.667 -7.386 20.400 1.00 25.00 C ATOM 1177 CG ASP A 76 34.989 -8.731 20.611 1.00 25.00 C ATOM 1178 OD1 ASP A 76 35.126 -9.349 21.688 1.00 25.00 O ATOM 1179 OD2 ASP A 76 34.346 -9.232 19.667 1.00 25.00 O ATOM 0 H ASP A 76 36.548 -7.712 22.755 1.00 25.00 H new ATOM 0 HA ASP A 76 35.781 -5.413 21.251 1.00 25.00 H new ATOM 0 HB2 ASP A 76 35.306 -6.946 19.470 1.00 25.00 H new ATOM 0 HB3 ASP A 76 36.740 -7.542 20.283 1.00 25.00 H new ATOM 1184 N ASN A 77 33.474 -6.684 23.002 1.00 25.00 N ATOM 1185 CA ASN A 77 32.077 -6.474 23.389 1.00 25.00 C ATOM 1186 C ASN A 77 31.881 -5.204 24.227 1.00 25.00 C ATOM 1187 O ASN A 77 30.762 -4.884 24.616 1.00 25.00 O ATOM 1188 CB ASN A 77 31.550 -7.687 24.160 1.00 25.00 C ATOM 1189 CG ASN A 77 30.044 -7.738 24.186 1.00 25.00 C ATOM 1190 OD1 ASN A 77 29.403 -7.717 23.141 1.00 25.00 O ATOM 1191 ND2 ASN A 77 29.466 -7.789 25.353 1.00 25.00 N ATOM 0 H ASN A 77 34.045 -7.159 23.702 1.00 25.00 H new ATOM 0 HA ASN A 77 31.511 -6.347 22.466 1.00 25.00 H new ATOM 0 HB2 ASN A 77 31.934 -8.599 23.704 1.00 25.00 H new ATOM 0 HB3 ASN A 77 31.928 -7.657 25.182 1.00 25.00 H new ATOM 0 HD21 ASN A 77 28.448 -7.813 25.417 1.00 25.00 H new ATOM 0 HD22 ASN A 77 30.031 -7.805 26.202 1.00 25.00 H new ATOM 1198 N HIS A 78 32.963 -4.486 24.516 1.00 25.00 N ATOM 1199 CA HIS A 78 32.938 -3.338 25.437 1.00 25.00 C ATOM 1200 C HIS A 78 31.930 -2.252 25.062 1.00 25.00 C ATOM 1201 O HIS A 78 32.035 -1.643 23.999 1.00 25.00 O ATOM 1202 CB HIS A 78 34.345 -2.718 25.477 1.00 25.00 C ATOM 1203 CG HIS A 78 34.476 -1.532 26.382 1.00 25.00 C ATOM 1204 ND1 HIS A 78 35.012 -1.604 27.660 1.00 25.00 N ATOM 1205 CD2 HIS A 78 34.185 -0.217 26.202 1.00 25.00 C ATOM 1206 CE1 HIS A 78 35.031 -0.392 28.195 1.00 25.00 C ATOM 1207 NE2 HIS A 78 34.523 0.459 27.339 1.00 25.00 N ATOM 0 H HIS A 78 33.884 -4.678 24.122 1.00 25.00 H new ATOM 0 HA HIS A 78 32.625 -3.722 26.408 1.00 25.00 H new ATOM 0 HB2 HIS A 78 35.056 -3.481 25.794 1.00 25.00 H new ATOM 0 HB3 HIS A 78 34.626 -2.421 24.467 1.00 25.00 H new ATOM 0 HD2 HIS A 78 33.759 0.219 25.311 1.00 25.00 H new ATOM 0 HE1 HIS A 78 35.405 -0.146 29.178 1.00 25.00 H new ATOM 0 HE2 HIS A 78 34.400 1.459 27.496 1.00 25.00 H new ATOM 1216 N THR A 79 30.981 -1.968 25.942 1.00 25.00 N ATOM 1217 CA THR A 79 30.192 -0.735 25.873 1.00 25.00 C ATOM 1218 C THR A 79 29.801 -0.348 27.300 1.00 25.00 C ATOM 1219 O THR A 79 29.527 -1.226 28.130 1.00 25.00 O ATOM 1220 CB THR A 79 28.913 -0.887 24.988 1.00 25.00 C ATOM 1221 OG1 THR A 79 28.017 0.198 25.241 1.00 25.00 O ATOM 1222 CG2 THR A 79 28.144 -2.162 25.265 1.00 25.00 C ATOM 0 H THR A 79 30.733 -2.578 26.721 1.00 25.00 H new ATOM 0 HA THR A 79 30.798 0.041 25.405 1.00 25.00 H new ATOM 0 HB THR A 79 29.265 -0.903 23.957 1.00 25.00 H new ATOM 0 HG1 THR A 79 27.721 0.583 24.390 1.00 25.00 H new ATOM 0 HG21 THR A 79 27.268 -2.206 24.618 1.00 25.00 H new ATOM 0 HG22 THR A 79 28.784 -3.023 25.069 1.00 25.00 H new ATOM 0 HG23 THR A 79 27.826 -2.176 26.308 1.00 25.00 H new ATOM 1230 N PRO A 80 29.732 0.959 27.621 1.00 25.00 N ATOM 1231 CA PRO A 80 29.312 1.272 28.993 1.00 25.00 C ATOM 1232 C PRO A 80 27.862 0.911 29.315 1.00 25.00 C ATOM 1233 O PRO A 80 27.497 0.835 30.487 1.00 25.00 O ATOM 1234 CB PRO A 80 29.542 2.780 29.079 1.00 25.00 C ATOM 1235 CG PRO A 80 29.337 3.255 27.696 1.00 25.00 C ATOM 1236 CD PRO A 80 30.007 2.197 26.863 1.00 25.00 C ATOM 0 HA PRO A 80 29.871 0.685 29.722 1.00 25.00 H new ATOM 0 HB2 PRO A 80 28.843 3.251 29.770 1.00 25.00 H new ATOM 0 HB3 PRO A 80 30.546 3.010 29.435 1.00 25.00 H new ATOM 0 HG2 PRO A 80 28.278 3.346 27.455 1.00 25.00 H new ATOM 0 HG3 PRO A 80 29.785 4.236 27.537 1.00 25.00 H new ATOM 0 HD2 PRO A 80 29.594 2.154 25.855 1.00 25.00 H new ATOM 0 HD3 PRO A 80 31.077 2.380 26.761 1.00 25.00 H new ATOM 1244 N LYS A 81 27.060 0.588 28.303 1.00 25.00 N ATOM 1245 CA LYS A 81 25.691 0.107 28.510 1.00 25.00 C ATOM 1246 C LYS A 81 25.629 -1.156 29.362 1.00 25.00 C ATOM 1247 O LYS A 81 24.689 -1.357 30.129 1.00 25.00 O ATOM 1248 CB LYS A 81 25.047 -0.208 27.158 1.00 25.00 C ATOM 1249 CG LYS A 81 24.808 0.999 26.264 1.00 25.00 C ATOM 1250 CD LYS A 81 24.106 0.554 24.995 1.00 25.00 C ATOM 1251 CE LYS A 81 23.820 1.707 24.044 1.00 25.00 C ATOM 1252 NZ LYS A 81 23.055 1.223 22.845 1.00 25.00 N ATOM 0 H LYS A 81 27.335 0.651 27.323 1.00 25.00 H new ATOM 0 HA LYS A 81 25.159 0.901 29.034 1.00 25.00 H new ATOM 0 HB2 LYS A 81 25.683 -0.916 26.626 1.00 25.00 H new ATOM 0 HB3 LYS A 81 24.093 -0.706 27.334 1.00 25.00 H new ATOM 0 HG2 LYS A 81 24.203 1.739 26.787 1.00 25.00 H new ATOM 0 HG3 LYS A 81 25.756 1.478 26.020 1.00 25.00 H new ATOM 0 HD2 LYS A 81 24.722 -0.187 24.485 1.00 25.00 H new ATOM 0 HD3 LYS A 81 23.168 0.064 25.257 1.00 25.00 H new ATOM 0 HE2 LYS A 81 23.249 2.479 24.560 1.00 25.00 H new ATOM 0 HE3 LYS A 81 24.757 2.164 23.725 1.00 25.00 H new ATOM 0 HZ1 LYS A 81 22.868 2.022 22.206 1.00 25.00 H new ATOM 0 HZ2 LYS A 81 23.614 0.503 22.344 1.00 25.00 H new ATOM 0 HZ3 LYS A 81 22.153 0.808 23.153 1.00 25.00 H new ATOM 1266 N GLU A 82 26.639 -2.004 29.241 1.00 25.00 N ATOM 1267 CA GLU A 82 26.704 -3.233 30.033 1.00 25.00 C ATOM 1268 C GLU A 82 27.533 -3.028 31.298 1.00 25.00 C ATOM 1269 O GLU A 82 27.358 -3.712 32.307 1.00 25.00 O ATOM 1270 CB GLU A 82 27.375 -4.340 29.213 1.00 25.00 C ATOM 1271 CG GLU A 82 26.663 -4.720 27.917 1.00 25.00 C ATOM 1272 CD GLU A 82 25.247 -5.215 28.140 1.00 25.00 C ATOM 1273 OE1 GLU A 82 25.017 -6.073 29.026 1.00 25.00 O ATOM 1274 OE2 GLU A 82 24.331 -4.759 27.416 1.00 25.00 O ATOM 0 H GLU A 82 27.425 -1.869 28.605 1.00 25.00 H new ATOM 0 HA GLU A 82 25.684 -3.507 30.302 1.00 25.00 H new ATOM 0 HB2 GLU A 82 28.390 -4.025 28.971 1.00 25.00 H new ATOM 0 HB3 GLU A 82 27.458 -5.230 29.836 1.00 25.00 H new ATOM 0 HG2 GLU A 82 26.639 -3.854 27.255 1.00 25.00 H new ATOM 0 HG3 GLU A 82 27.236 -5.495 27.408 1.00 25.00 H new ATOM 1281 N LEU A 83 28.506 -2.134 31.210 1.00 25.00 N ATOM 1282 CA LEU A 83 29.549 -2.040 32.229 1.00 25.00 C ATOM 1283 C LEU A 83 29.334 -0.993 33.318 1.00 25.00 C ATOM 1284 O LEU A 83 29.973 -1.071 34.367 1.00 25.00 O ATOM 1285 CB LEU A 83 30.893 -1.815 31.534 1.00 25.00 C ATOM 1286 CG LEU A 83 31.331 -2.896 30.532 1.00 25.00 C ATOM 1287 CD1 LEU A 83 32.574 -2.428 29.807 1.00 50.00 C ATOM 1288 CD2 LEU A 83 31.601 -4.251 31.183 1.00 50.00 C ATOM 0 H LEU A 83 28.598 -1.463 30.447 1.00 25.00 H new ATOM 0 HA LEU A 83 29.520 -2.987 32.768 1.00 25.00 H new ATOM 0 HB2 LEU A 83 30.852 -0.860 31.011 1.00 25.00 H new ATOM 0 HB3 LEU A 83 31.664 -1.726 32.300 1.00 25.00 H new ATOM 0 HG LEU A 83 30.504 -3.041 29.837 1.00 25.00 H new ATOM 0 HD11 LEU A 83 32.889 -3.191 29.095 1.00 50.00 H new ATOM 0 HD12 LEU A 83 32.358 -1.502 29.274 1.00 50.00 H new ATOM 0 HD13 LEU A 83 33.372 -2.253 30.529 1.00 50.00 H new ATOM 0 HD21 LEU A 83 31.906 -4.967 30.420 1.00 50.00 H new ATOM 0 HD22 LEU A 83 32.396 -4.148 31.922 1.00 50.00 H new ATOM 0 HD23 LEU A 83 30.694 -4.606 31.673 1.00 50.00 H new ATOM 1300 N GLY A 84 28.437 -0.038 33.109 1.00 25.00 N ATOM 1301 CA GLY A 84 28.098 0.904 34.168 1.00 25.00 C ATOM 1302 C GLY A 84 29.228 1.832 34.576 1.00 25.00 C ATOM 1303 O GLY A 84 29.449 2.065 35.765 1.00 25.00 O ATOM 0 H GLY A 84 27.938 0.104 32.231 1.00 25.00 H new ATOM 0 HA2 GLY A 84 27.250 1.507 33.842 1.00 25.00 H new ATOM 0 HA3 GLY A 84 27.772 0.343 35.044 1.00 25.00 H new ATOM 1307 N MET A 85 29.983 2.320 33.604 1.00 25.00 N ATOM 1308 CA MET A 85 31.238 3.038 33.847 1.00 25.00 C ATOM 1309 C MET A 85 31.101 4.477 34.348 1.00 25.00 C ATOM 1310 O MET A 85 32.090 5.075 34.773 1.00 25.00 O ATOM 1311 CB MET A 85 32.092 2.996 32.579 1.00 25.00 C ATOM 1312 CG MET A 85 32.303 1.565 32.103 1.00 25.00 C ATOM 1313 SD MET A 85 33.535 1.372 30.815 1.00 25.00 S ATOM 1314 CE MET A 85 35.039 1.391 31.805 1.00 25.00 C ATOM 0 H MET A 85 29.746 2.232 32.616 1.00 25.00 H new ATOM 0 HA MET A 85 31.717 2.514 34.674 1.00 25.00 H new ATOM 0 HB2 MET A 85 31.609 3.576 31.793 1.00 25.00 H new ATOM 0 HB3 MET A 85 33.057 3.464 32.772 1.00 25.00 H new ATOM 0 HG2 MET A 85 32.592 0.952 32.957 1.00 25.00 H new ATOM 0 HG3 MET A 85 31.353 1.175 31.738 1.00 25.00 H new ATOM 0 HE1 MET A 85 35.905 1.280 31.153 1.00 25.00 H new ATOM 0 HE2 MET A 85 35.108 2.336 32.343 1.00 25.00 H new ATOM 0 HE3 MET A 85 35.015 0.568 32.519 1.00 25.00 H new ATOM 1324 N GLU A 86 29.871 4.982 34.353 1.00 25.00 N ATOM 1325 CA GLU A 86 29.485 6.313 34.863 1.00 25.00 C ATOM 1326 C GLU A 86 30.051 7.491 34.055 1.00 25.00 C ATOM 1327 O GLU A 86 30.793 7.309 33.086 1.00 25.00 O ATOM 1328 CB GLU A 86 29.806 6.463 36.363 1.00 25.00 C ATOM 1329 CG GLU A 86 29.148 5.407 37.244 1.00 25.00 C ATOM 1330 CD GLU A 86 29.491 5.577 38.713 1.00 25.00 C ATOM 1331 OE1 GLU A 86 30.676 5.383 39.087 1.00 25.00 O ATOM 1332 OE2 GLU A 86 28.586 5.896 39.519 1.00 25.00 O ATOM 0 H GLU A 86 29.075 4.460 33.988 1.00 25.00 H new ATOM 0 HA GLU A 86 28.404 6.361 34.731 1.00 25.00 H new ATOM 0 HB2 GLU A 86 30.886 6.415 36.500 1.00 25.00 H new ATOM 0 HB3 GLU A 86 29.486 7.450 36.696 1.00 25.00 H new ATOM 0 HG2 GLU A 86 28.066 5.457 37.119 1.00 25.00 H new ATOM 0 HG3 GLU A 86 29.461 4.417 36.914 1.00 25.00 H new ATOM 1339 N GLU A 87 29.647 8.706 34.404 1.00 25.00 N ATOM 1340 CA GLU A 87 30.092 9.900 33.686 1.00 25.00 C ATOM 1341 C GLU A 87 31.597 10.128 33.831 1.00 25.00 C ATOM 1342 O GLU A 87 32.236 9.632 34.765 1.00 25.00 O ATOM 1343 CB GLU A 87 29.313 11.140 34.152 1.00 25.00 C ATOM 1344 CG GLU A 87 29.617 11.631 35.567 1.00 25.00 C ATOM 1345 CD GLU A 87 28.782 12.848 35.944 1.00 25.00 C ATOM 1346 OE1 GLU A 87 27.535 12.740 36.029 1.00 25.00 O ATOM 1347 OE2 GLU A 87 29.351 13.940 36.181 1.00 25.00 O ATOM 0 H GLU A 87 29.012 8.894 35.180 1.00 25.00 H new ATOM 0 HA GLU A 87 29.886 9.734 32.629 1.00 25.00 H new ATOM 0 HB2 GLU A 87 29.515 11.954 33.455 1.00 25.00 H new ATOM 0 HB3 GLU A 87 28.247 10.921 34.086 1.00 25.00 H new ATOM 0 HG2 GLU A 87 29.426 10.827 36.278 1.00 25.00 H new ATOM 0 HG3 GLU A 87 30.675 11.880 35.644 1.00 25.00 H new ATOM 1354 N GLU A 88 32.148 10.876 32.883 1.00 25.00 N ATOM 1355 CA GLU A 88 33.571 11.232 32.813 1.00 25.00 C ATOM 1356 C GLU A 88 34.549 10.052 32.744 1.00 25.00 C ATOM 1357 O GLU A 88 35.746 10.186 32.996 1.00 25.00 O ATOM 1358 CB GLU A 88 33.952 12.227 33.916 1.00 25.00 C ATOM 1359 CG GLU A 88 33.208 13.550 33.802 1.00 25.00 C ATOM 1360 CD GLU A 88 33.835 14.631 34.664 1.00 25.00 C ATOM 1361 OE1 GLU A 88 33.823 14.530 35.915 1.00 25.00 O ATOM 1362 OE2 GLU A 88 34.406 15.588 34.092 1.00 25.00 O ATOM 0 H GLU A 88 31.604 11.267 32.114 1.00 25.00 H new ATOM 0 HA GLU A 88 33.682 11.719 31.844 1.00 25.00 H new ATOM 0 HB2 GLU A 88 33.743 11.781 34.889 1.00 25.00 H new ATOM 0 HB3 GLU A 88 35.025 12.414 33.875 1.00 25.00 H new ATOM 0 HG2 GLU A 88 33.202 13.874 32.761 1.00 25.00 H new ATOM 0 HG3 GLU A 88 32.168 13.408 34.098 1.00 25.00 H new ATOM 1369 N ASP A 89 34.043 8.895 32.343 1.00 25.00 N ATOM 1370 CA ASP A 89 34.881 7.734 32.046 1.00 25.00 C ATOM 1371 C ASP A 89 35.829 8.028 30.878 1.00 25.00 C ATOM 1372 O ASP A 89 35.428 8.666 29.896 1.00 25.00 O ATOM 1373 CB ASP A 89 33.984 6.559 31.667 1.00 25.00 C ATOM 1374 CG ASP A 89 34.774 5.321 31.330 1.00 25.00 C ATOM 1375 OD1 ASP A 89 35.582 4.880 32.172 1.00 25.00 O ATOM 1376 OD2 ASP A 89 34.629 4.798 30.197 1.00 25.00 O ATOM 0 H ASP A 89 33.045 8.731 32.214 1.00 25.00 H new ATOM 0 HA ASP A 89 35.474 7.498 32.929 1.00 25.00 H new ATOM 0 HB2 ASP A 89 33.306 6.341 32.493 1.00 25.00 H new ATOM 0 HB3 ASP A 89 33.367 6.837 30.813 1.00 25.00 H new ATOM 1381 N VAL A 90 37.068 7.564 30.970 1.00 25.00 N ATOM 1382 CA VAL A 90 38.101 7.827 29.960 1.00 25.00 C ATOM 1383 C VAL A 90 38.247 6.619 29.029 1.00 25.00 C ATOM 1384 O VAL A 90 38.251 5.477 29.496 1.00 25.00 O ATOM 1385 CB VAL A 90 39.474 8.130 30.649 1.00 25.00 C ATOM 1386 CG1 VAL A 90 40.595 8.414 29.626 1.00 50.00 C ATOM 1387 CG2 VAL A 90 39.373 9.336 31.602 1.00 50.00 C ATOM 0 H VAL A 90 37.393 6.991 31.749 1.00 25.00 H new ATOM 0 HA VAL A 90 37.799 8.696 29.376 1.00 25.00 H new ATOM 0 HB VAL A 90 39.726 7.231 31.212 1.00 25.00 H new ATOM 0 HG11 VAL A 90 41.526 8.618 30.154 1.00 50.00 H new ATOM 0 HG12 VAL A 90 40.727 7.546 28.980 1.00 50.00 H new ATOM 0 HG13 VAL A 90 40.324 9.279 29.020 1.00 50.00 H new ATOM 0 HG21 VAL A 90 40.344 9.518 32.063 1.00 50.00 H new ATOM 0 HG22 VAL A 90 39.067 10.219 31.041 1.00 50.00 H new ATOM 0 HG23 VAL A 90 38.637 9.126 32.378 1.00 50.00 H new ATOM 1397 N ILE A 91 38.395 6.865 27.732 1.00 25.00 N ATOM 1398 CA ILE A 91 38.651 5.832 26.721 1.00 25.00 C ATOM 1399 C ILE A 91 39.447 6.587 25.652 1.00 25.00 C ATOM 1400 O ILE A 91 39.374 7.820 25.606 1.00 25.00 O ATOM 1401 CB ILE A 91 37.328 5.191 26.181 1.00 25.00 C ATOM 1402 CG1 ILE A 91 37.633 3.915 25.372 1.00 25.00 C ATOM 1403 CG2 ILE A 91 36.501 6.207 25.364 1.00 25.00 C ATOM 1404 CD1 ILE A 91 36.409 3.064 25.001 1.00 25.00 C ATOM 0 H ILE A 91 38.340 7.805 27.341 1.00 25.00 H new ATOM 0 HA ILE A 91 39.197 4.972 27.108 1.00 25.00 H new ATOM 0 HB ILE A 91 36.717 4.902 27.036 1.00 25.00 H new ATOM 0 HG12 ILE A 91 38.148 4.201 24.455 1.00 25.00 H new ATOM 0 HG13 ILE A 91 38.324 3.297 25.946 1.00 25.00 H new ATOM 0 HG21 ILE A 91 35.590 5.729 25.004 1.00 25.00 H new ATOM 0 HG22 ILE A 91 36.240 7.056 25.996 1.00 25.00 H new ATOM 0 HG23 ILE A 91 37.088 6.554 24.514 1.00 25.00 H new ATOM 0 HD11 ILE A 91 36.731 2.191 24.434 1.00 25.00 H new ATOM 0 HD12 ILE A 91 35.902 2.740 25.910 1.00 25.00 H new ATOM 0 HD13 ILE A 91 35.724 3.657 24.396 1.00 25.00 H new ATOM 1416 N GLU A 92 40.245 5.895 24.851 1.00 25.00 N ATOM 1417 CA GLU A 92 41.190 6.523 23.927 1.00 25.00 C ATOM 1418 C GLU A 92 41.066 5.860 22.553 1.00 25.00 C ATOM 1419 O GLU A 92 40.490 4.771 22.442 1.00 25.00 O ATOM 1420 CB GLU A 92 42.610 6.330 24.473 1.00 25.00 C ATOM 1421 CG GLU A 92 42.825 6.889 25.875 1.00 25.00 C ATOM 1422 CD GLU A 92 44.231 6.653 26.379 1.00 25.00 C ATOM 1423 OE1 GLU A 92 45.203 7.149 25.761 1.00 25.00 O ATOM 1424 OE2 GLU A 92 44.401 5.950 27.404 1.00 25.00 O ATOM 0 H GLU A 92 40.258 4.876 24.821 1.00 25.00 H new ATOM 0 HA GLU A 92 40.976 7.587 23.830 1.00 25.00 H new ATOM 0 HB2 GLU A 92 42.842 5.265 24.480 1.00 25.00 H new ATOM 0 HB3 GLU A 92 43.316 6.806 23.793 1.00 25.00 H new ATOM 0 HG2 GLU A 92 42.617 7.959 25.873 1.00 25.00 H new ATOM 0 HG3 GLU A 92 42.114 6.428 26.560 1.00 25.00 H new ATOM 1431 N VAL A 93 41.620 6.484 21.520 1.00 25.00 N ATOM 1432 CA VAL A 93 41.591 5.944 20.154 1.00 25.00 C ATOM 1433 C VAL A 93 43.001 5.893 19.568 1.00 25.00 C ATOM 1434 O VAL A 93 43.913 6.572 20.060 1.00 25.00 O ATOM 1435 CB VAL A 93 40.663 6.770 19.208 1.00 25.00 C ATOM 1436 CG1 VAL A 93 39.218 6.740 19.709 1.00 50.00 C ATOM 1437 CG2 VAL A 93 41.115 8.228 19.059 1.00 50.00 C ATOM 0 H VAL A 93 42.103 7.379 21.599 1.00 25.00 H new ATOM 0 HA VAL A 93 41.184 4.935 20.224 1.00 25.00 H new ATOM 0 HB VAL A 93 40.728 6.299 18.227 1.00 25.00 H new ATOM 0 HG11 VAL A 93 38.587 7.321 19.036 1.00 50.00 H new ATOM 0 HG12 VAL A 93 38.864 5.709 19.738 1.00 50.00 H new ATOM 0 HG13 VAL A 93 39.171 7.168 20.710 1.00 50.00 H new ATOM 0 HG21 VAL A 93 40.433 8.754 18.391 1.00 50.00 H new ATOM 0 HG22 VAL A 93 41.111 8.712 20.036 1.00 50.00 H new ATOM 0 HG23 VAL A 93 42.123 8.256 18.645 1.00 50.00 H new ATOM 1447 N TYR A 94 43.191 5.099 18.524 1.00 25.00 N ATOM 1448 CA TYR A 94 44.467 5.004 17.818 1.00 25.00 C ATOM 1449 C TYR A 94 44.216 4.834 16.320 1.00 25.00 C ATOM 1450 O TYR A 94 43.315 4.089 15.925 1.00 25.00 O ATOM 1451 CB TYR A 94 45.255 3.806 18.353 1.00 25.00 C ATOM 1452 CG TYR A 94 46.633 3.658 17.751 1.00 25.00 C ATOM 1453 CD1 TYR A 94 46.843 2.891 16.584 1.00 25.00 C ATOM 1454 CD2 TYR A 94 47.743 4.283 18.353 1.00 25.00 C ATOM 1455 CE1 TYR A 94 48.144 2.755 16.034 1.00 25.00 C ATOM 1456 CE2 TYR A 94 49.043 4.140 17.804 1.00 25.00 C ATOM 1457 CZ TYR A 94 49.229 3.382 16.648 1.00 25.00 C ATOM 1458 OH TYR A 94 50.487 3.256 16.119 1.00 25.00 O ATOM 0 H TYR A 94 42.462 4.498 18.139 1.00 25.00 H new ATOM 0 HA TYR A 94 45.042 5.916 17.980 1.00 25.00 H new ATOM 0 HB2 TYR A 94 45.351 3.901 19.435 1.00 25.00 H new ATOM 0 HB3 TYR A 94 44.687 2.896 18.162 1.00 25.00 H new ATOM 0 HD1 TYR A 94 46.006 2.404 16.106 1.00 25.00 H new ATOM 0 HD2 TYR A 94 47.602 4.878 19.243 1.00 25.00 H new ATOM 0 HE1 TYR A 94 48.294 2.167 15.141 1.00 25.00 H new ATOM 0 HE2 TYR A 94 49.887 4.617 18.280 1.00 25.00 H new ATOM 0 HH TYR A 94 51.125 3.756 16.670 1.00 25.00 H new ATOM 1468 N GLN A 95 45.022 5.500 15.502 1.00 25.00 N ATOM 1469 CA GLN A 95 44.950 5.425 14.043 1.00 25.00 C ATOM 1470 C GLN A 95 46.169 4.651 13.536 1.00 25.00 C ATOM 1471 O GLN A 95 47.311 5.028 13.798 1.00 25.00 O ATOM 1472 CB GLN A 95 44.928 6.850 13.468 1.00 25.00 C ATOM 1473 CG GLN A 95 44.852 6.950 11.944 1.00 25.00 C ATOM 1474 CD GLN A 95 44.631 8.374 11.461 1.00 25.00 C ATOM 1475 OE1 GLN A 95 43.517 8.772 11.127 1.00 25.00 O ATOM 1476 NE2 GLN A 95 45.684 9.146 11.407 1.00 25.00 N ATOM 0 H GLN A 95 45.759 6.120 15.838 1.00 25.00 H new ATOM 0 HA GLN A 95 44.044 4.910 13.725 1.00 25.00 H new ATOM 0 HB2 GLN A 95 44.074 7.379 13.891 1.00 25.00 H new ATOM 0 HB3 GLN A 95 45.825 7.371 13.803 1.00 25.00 H new ATOM 0 HG2 GLN A 95 45.775 6.563 11.512 1.00 25.00 H new ATOM 0 HG3 GLN A 95 44.041 6.318 11.582 1.00 25.00 H new ATOM 0 HE21 GLN A 95 46.595 8.786 11.691 1.00 25.00 H new ATOM 0 HE22 GLN A 95 45.595 10.108 11.081 1.00 25.00 H new ATOM 1485 N GLU A 96 45.931 3.564 12.821 1.00 25.00 N ATOM 1486 CA GLU A 96 46.994 2.763 12.214 1.00 25.00 C ATOM 1487 C GLU A 96 47.492 3.461 10.949 1.00 25.00 C ATOM 1488 O GLU A 96 46.857 4.407 10.477 1.00 25.00 O ATOM 1489 CB GLU A 96 46.447 1.381 11.842 1.00 25.00 C ATOM 1490 CG GLU A 96 46.073 0.503 13.029 1.00 25.00 C ATOM 1491 CD GLU A 96 47.279 0.084 13.866 1.00 25.00 C ATOM 1492 OE1 GLU A 96 48.436 0.080 13.380 1.00 25.00 O ATOM 1493 OE2 GLU A 96 47.083 -0.283 15.045 1.00 25.00 O ATOM 0 H GLU A 96 44.993 3.206 12.641 1.00 25.00 H new ATOM 0 HA GLU A 96 47.814 2.652 12.923 1.00 25.00 H new ATOM 0 HB2 GLU A 96 45.567 1.511 11.212 1.00 25.00 H new ATOM 0 HB3 GLU A 96 47.193 0.859 11.243 1.00 25.00 H new ATOM 0 HG2 GLU A 96 45.367 1.040 13.663 1.00 25.00 H new ATOM 0 HG3 GLU A 96 45.562 -0.389 12.667 1.00 25.00 H new