USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 62 LYS NZ :NH3+ -153:sc= -0.0177 (180deg=0) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 154:sc=-0.00449 (180deg=0) USER MOD Single : A 3 SER OG : rot 169:sc= 0.586 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 9 LYS NZ :NH3+ -113:sc= 0.562 (180deg=-0.0797) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.1) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.031) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3! C(o=-3!,f=-3!) USER MOD Single : A 30 THR OG1 : rot -51:sc= 1.17 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= -1.24 (180deg=-1.68) USER MOD Single : A 52 ASN : amide:sc= -0.573 K(o=-0.57,f=-2.4!) USER MOD Single : A 54 THR OG1 : rot -62:sc= 0.368 USER MOD Single : A 56 SER OG : rot 180:sc= -0.105 USER MOD Single : A 58 GLN : amide:sc=-0.00495 X(o=-0.005,f=0) USER MOD Single : A 64 ASN : amide:sc= -7.06! C(o=-7.1!,f=-8.6!) USER MOD Single : A 65 THR OG1 : rot -132:sc= -0.428 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 91:sc= 0.816 USER MOD Single : A 76 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.38!) USER MOD Single : A 77 ASN : amide:sc= -4.33 K(o=-4.3,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 5.175 -2.660 -4.810 1.00 0.00 N ATOM 43 CA SER A 3 5.113 -1.208 -4.933 1.00 0.00 C ATOM 44 C SER A 3 4.581 -0.802 -6.305 1.00 0.00 C ATOM 45 O SER A 3 3.490 -0.243 -6.421 1.00 0.00 O ATOM 46 CB SER A 3 6.496 -0.596 -4.708 1.00 0.00 C ATOM 47 OG SER A 3 6.394 0.710 -4.168 1.00 0.00 O ATOM 0 HA SER A 3 4.430 -0.832 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.071 -1.228 -4.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.040 -0.561 -5.652 1.00 0.00 H new ATOM 0 HG SER A 3 7.278 1.010 -3.869 1.00 0.00 H new ATOM 53 N THR A 4 5.361 -1.087 -7.343 1.00 0.00 N ATOM 54 CA THR A 4 4.971 -0.751 -8.706 1.00 0.00 C ATOM 55 C THR A 4 3.695 -1.481 -9.109 1.00 0.00 C ATOM 56 O THR A 4 2.869 -0.947 -9.849 1.00 0.00 O ATOM 57 CB THR A 4 6.086 -1.098 -9.711 1.00 0.00 C ATOM 58 OG1 THR A 4 5.715 -0.663 -11.024 1.00 0.00 O ATOM 59 CG2 THR A 4 6.356 -2.595 -9.724 1.00 0.00 C ATOM 0 H THR A 4 6.267 -1.550 -7.265 1.00 0.00 H new ATOM 0 HA THR A 4 4.794 0.324 -8.728 1.00 0.00 H new ATOM 0 HB THR A 4 6.996 -0.584 -9.402 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.430 -0.886 -11.657 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.147 -2.816 -10.441 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.667 -2.917 -8.730 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.448 -3.126 -10.010 1.00 0.00 H new ATOM 67 N PHE A 5 3.539 -2.706 -8.617 1.00 0.00 N ATOM 68 CA PHE A 5 2.362 -3.510 -8.926 1.00 0.00 C ATOM 69 C PHE A 5 1.082 -2.710 -8.702 1.00 0.00 C ATOM 70 O PHE A 5 0.100 -2.873 -9.426 1.00 0.00 O ATOM 71 CB PHE A 5 2.343 -4.775 -8.066 1.00 0.00 C ATOM 72 CG PHE A 5 1.928 -6.006 -8.820 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.996 -5.927 -9.842 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.471 -7.242 -8.507 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.612 -7.059 -10.537 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.091 -8.377 -9.199 1.00 0.00 C ATOM 77 CZ PHE A 5 1.161 -8.285 -10.216 1.00 0.00 C ATOM 0 H PHE A 5 4.213 -3.163 -8.003 1.00 0.00 H new ATOM 0 HA PHE A 5 2.413 -3.794 -9.977 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.336 -4.934 -7.645 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.662 -4.625 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.565 -4.971 -10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.199 -7.320 -7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.117 -6.985 -11.330 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.521 -9.335 -8.945 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.864 -9.170 -10.759 1.00 0.00 H new ATOM 87 N ASP A 6 1.102 -1.845 -7.694 1.00 0.00 N ATOM 88 CA ASP A 6 -0.056 -1.018 -7.373 1.00 0.00 C ATOM 89 C ASP A 6 -0.458 -0.159 -8.568 1.00 0.00 C ATOM 90 O ASP A 6 -1.483 -0.403 -9.205 1.00 0.00 O ATOM 91 CB ASP A 6 0.244 -0.128 -6.166 1.00 0.00 C ATOM 92 CG ASP A 6 -0.651 -0.436 -4.982 1.00 0.00 C ATOM 93 OD1 ASP A 6 -0.698 -1.612 -4.565 1.00 0.00 O ATOM 94 OD2 ASP A 6 -1.306 0.498 -4.474 1.00 0.00 O ATOM 0 H ASP A 6 1.907 -1.698 -7.085 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.887 -1.679 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.286 -0.257 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.120 0.917 -6.449 1.00 0.00 H new ATOM 99 N ASP A 7 0.356 0.849 -8.865 1.00 0.00 N ATOM 100 CA ASP A 7 0.086 1.745 -9.983 1.00 0.00 C ATOM 101 C ASP A 7 -0.033 0.965 -11.289 1.00 0.00 C ATOM 102 O ASP A 7 -0.694 1.406 -12.229 1.00 0.00 O ATOM 103 CB ASP A 7 1.192 2.795 -10.101 1.00 0.00 C ATOM 104 CG ASP A 7 1.154 3.806 -8.972 1.00 0.00 C ATOM 105 OD1 ASP A 7 1.068 3.383 -7.800 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.210 5.019 -9.261 1.00 0.00 O ATOM 0 H ASP A 7 1.208 1.065 -8.347 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.863 2.247 -9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.162 2.298 -10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.095 3.315 -11.054 1.00 0.00 H new ATOM 111 N ILE A 8 0.612 -0.196 -11.340 1.00 0.00 N ATOM 112 CA ILE A 8 0.578 -1.037 -12.530 1.00 0.00 C ATOM 113 C ILE A 8 -0.780 -1.713 -12.686 1.00 0.00 C ATOM 114 O ILE A 8 -1.299 -1.840 -13.795 1.00 0.00 O ATOM 115 CB ILE A 8 1.675 -2.117 -12.487 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.027 -1.518 -12.880 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.315 -3.274 -13.407 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.189 -2.465 -12.681 1.00 0.00 C ATOM 0 H ILE A 8 1.164 -0.575 -10.571 1.00 0.00 H new ATOM 0 HA ILE A 8 0.756 -0.384 -13.384 1.00 0.00 H new ATOM 0 HB ILE A 8 1.750 -2.498 -11.468 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.991 -1.216 -13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.200 -0.616 -12.293 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.100 -4.029 -13.366 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.371 -3.714 -13.086 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.216 -2.909 -14.429 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.115 -1.973 -12.980 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.252 -2.748 -11.630 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.039 -3.357 -13.289 1.00 0.00 H new ATOM 130 N LYS A 9 -1.352 -2.144 -11.567 1.00 0.00 N ATOM 131 CA LYS A 9 -2.652 -2.805 -11.578 1.00 0.00 C ATOM 132 C LYS A 9 -3.765 -1.812 -11.899 1.00 0.00 C ATOM 133 O LYS A 9 -4.837 -2.196 -12.367 1.00 0.00 O ATOM 134 CB LYS A 9 -2.921 -3.469 -10.225 1.00 0.00 C ATOM 135 CG LYS A 9 -3.673 -2.579 -9.250 1.00 0.00 C ATOM 136 CD LYS A 9 -3.317 -2.906 -7.809 1.00 0.00 C ATOM 137 CE LYS A 9 -4.218 -3.995 -7.247 1.00 0.00 C ATOM 138 NZ LYS A 9 -3.448 -5.213 -6.873 1.00 0.00 N ATOM 0 H LYS A 9 -0.936 -2.048 -10.641 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.636 -3.570 -12.355 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.493 -4.383 -10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.971 -3.762 -9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.440 -1.534 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.746 -2.701 -9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.277 -3.228 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.405 -2.008 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.744 -3.615 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.976 -4.257 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.711 -5.997 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.430 -5.022 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.664 -5.472 -5.889 1.00 0.00 H new ATOM 152 N LYS A 10 -3.503 -0.535 -11.646 1.00 0.00 N ATOM 153 CA LYS A 10 -4.480 0.514 -11.911 1.00 0.00 C ATOM 154 C LYS A 10 -4.502 0.877 -13.392 1.00 0.00 C ATOM 155 O LYS A 10 -5.568 0.993 -13.997 1.00 0.00 O ATOM 156 CB LYS A 10 -4.164 1.757 -11.075 1.00 0.00 C ATOM 157 CG LYS A 10 -4.307 3.059 -11.844 1.00 0.00 C ATOM 158 CD LYS A 10 -4.042 4.263 -10.956 1.00 0.00 C ATOM 159 CE LYS A 10 -5.111 4.411 -9.884 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.598 4.047 -8.534 1.00 0.00 N ATOM 0 H LYS A 10 -2.621 -0.201 -11.257 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.464 0.137 -11.633 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.827 1.781 -10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.146 1.679 -10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.612 3.065 -12.684 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.312 3.128 -12.261 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.064 4.161 -10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.009 5.166 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.471 5.440 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.963 3.778 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.357 4.161 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.278 3.058 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.801 4.668 -8.287 1.00 0.00 H new ATOM 174 N ILE A 11 -3.318 1.053 -13.971 1.00 0.00 N ATOM 175 CA ILE A 11 -3.203 1.399 -15.382 1.00 0.00 C ATOM 176 C ILE A 11 -3.752 0.286 -16.268 1.00 0.00 C ATOM 177 O ILE A 11 -4.429 0.548 -17.262 1.00 0.00 O ATOM 178 CB ILE A 11 -1.740 1.679 -15.775 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.846 0.506 -15.367 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.256 2.969 -15.132 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.621 0.736 -15.652 1.00 0.00 C ATOM 0 H ILE A 11 -2.426 0.962 -13.485 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.791 2.304 -15.534 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.686 1.793 -16.858 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.975 0.315 -14.302 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.174 -0.390 -15.894 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.221 3.153 -15.419 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.878 3.799 -15.467 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.321 2.882 -14.047 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.194 -0.136 -15.337 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.763 0.897 -16.721 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.965 1.613 -15.104 1.00 0.00 H new ATOM 193 N ILE A 12 -3.456 -0.956 -15.900 1.00 0.00 N ATOM 194 CA ILE A 12 -3.923 -2.109 -16.659 1.00 0.00 C ATOM 195 C ILE A 12 -5.409 -2.358 -16.423 1.00 0.00 C ATOM 196 O ILE A 12 -6.127 -2.790 -17.325 1.00 0.00 O ATOM 197 CB ILE A 12 -3.136 -3.381 -16.292 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.459 -3.811 -14.859 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.642 -3.146 -16.456 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.712 -5.049 -14.417 1.00 0.00 C ATOM 0 H ILE A 12 -2.895 -1.189 -15.081 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.758 -1.881 -17.712 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.434 -4.182 -16.968 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.222 -2.992 -14.180 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.530 -3.994 -14.776 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.100 -4.054 -16.193 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.427 -2.882 -17.491 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.328 -2.333 -15.801 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.990 -5.295 -13.392 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.968 -5.882 -15.072 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.639 -4.864 -14.467 1.00 0.00 H new ATOM 212 N SER A 13 -5.864 -2.081 -15.206 1.00 0.00 N ATOM 213 CA SER A 13 -7.264 -2.277 -14.850 1.00 0.00 C ATOM 214 C SER A 13 -8.174 -1.441 -15.746 1.00 0.00 C ATOM 215 O SER A 13 -9.231 -1.900 -16.178 1.00 0.00 O ATOM 216 CB SER A 13 -7.496 -1.909 -13.383 1.00 0.00 C ATOM 217 OG SER A 13 -8.855 -1.583 -13.148 1.00 0.00 O ATOM 0 H SER A 13 -5.283 -1.720 -14.449 1.00 0.00 H new ATOM 0 HA SER A 13 -7.507 -3.330 -14.995 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.203 -2.743 -12.745 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.864 -1.063 -13.113 1.00 0.00 H new ATOM 0 HG SER A 13 -8.978 -1.353 -12.203 1.00 0.00 H new ATOM 223 N LYS A 14 -7.755 -0.211 -16.020 1.00 0.00 N ATOM 224 CA LYS A 14 -8.529 0.691 -16.865 1.00 0.00 C ATOM 225 C LYS A 14 -8.151 0.520 -18.333 1.00 0.00 C ATOM 226 O LYS A 14 -8.941 0.825 -19.225 1.00 0.00 O ATOM 227 CB LYS A 14 -8.305 2.143 -16.436 1.00 0.00 C ATOM 228 CG LYS A 14 -9.059 3.151 -17.285 1.00 0.00 C ATOM 229 CD LYS A 14 -8.155 3.791 -18.325 1.00 0.00 C ATOM 230 CE LYS A 14 -8.910 4.801 -19.176 1.00 0.00 C ATOM 231 NZ LYS A 14 -8.945 4.402 -20.610 1.00 0.00 N ATOM 0 H LYS A 14 -6.883 0.185 -15.669 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.584 0.442 -16.748 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.610 2.257 -15.396 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.239 2.366 -16.482 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.894 2.657 -17.782 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.482 3.924 -16.644 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.320 4.285 -17.828 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.732 3.018 -18.966 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.929 4.901 -18.802 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.438 5.779 -19.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.468 5.116 -21.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.974 4.331 -20.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.418 3.480 -20.702 1.00 0.00 H new ATOM 245 N GLN A 15 -6.940 0.029 -18.574 1.00 0.00 N ATOM 246 CA GLN A 15 -6.459 -0.183 -19.934 1.00 0.00 C ATOM 247 C GLN A 15 -7.073 -1.441 -20.539 1.00 0.00 C ATOM 248 O GLN A 15 -7.854 -1.369 -21.489 1.00 0.00 O ATOM 249 CB GLN A 15 -4.933 -0.289 -19.948 1.00 0.00 C ATOM 250 CG GLN A 15 -4.350 -0.498 -21.336 1.00 0.00 C ATOM 251 CD GLN A 15 -4.645 0.656 -22.273 1.00 0.00 C ATOM 252 OE1 GLN A 15 -4.707 1.812 -21.853 1.00 0.00 O ATOM 253 NE2 GLN A 15 -4.830 0.349 -23.552 1.00 0.00 N ATOM 0 H GLN A 15 -6.274 -0.229 -17.846 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.762 0.673 -20.536 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.510 0.619 -19.518 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.629 -1.116 -19.307 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.271 -0.630 -21.257 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.753 -1.418 -21.760 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.770 -0.622 -23.857 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.032 1.085 -24.229 1.00 0.00 H new ATOM 262 N LEU A 16 -6.717 -2.593 -19.983 1.00 0.00 N ATOM 263 CA LEU A 16 -7.233 -3.869 -20.467 1.00 0.00 C ATOM 264 C LEU A 16 -7.590 -4.789 -19.304 1.00 0.00 C ATOM 265 O LEU A 16 -7.080 -5.905 -19.203 1.00 0.00 O ATOM 266 CB LEU A 16 -6.203 -4.548 -21.372 1.00 0.00 C ATOM 267 CG LEU A 16 -4.735 -4.317 -21.010 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.465 -4.746 -19.576 1.00 0.00 C ATOM 269 CD2 LEU A 16 -3.824 -5.064 -21.973 1.00 0.00 C ATOM 0 H LEU A 16 -6.073 -2.670 -19.196 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.138 -3.672 -21.041 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.394 -5.621 -21.364 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.363 -4.203 -22.394 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.523 -3.251 -21.095 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.416 -4.574 -19.336 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.092 -4.166 -18.899 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.694 -5.806 -19.464 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.783 -4.888 -21.700 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.037 -6.132 -21.921 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.998 -4.708 -22.988 1.00 0.00 H new ATOM 281 N SER A 17 -8.471 -4.314 -18.430 1.00 0.00 N ATOM 282 CA SER A 17 -8.896 -5.094 -17.273 1.00 0.00 C ATOM 283 C SER A 17 -7.692 -5.561 -16.461 1.00 0.00 C ATOM 284 O SER A 17 -6.551 -5.212 -16.764 1.00 0.00 O ATOM 285 CB SER A 17 -9.724 -6.300 -17.720 1.00 0.00 C ATOM 286 OG SER A 17 -10.650 -5.937 -18.730 1.00 0.00 O ATOM 0 H SER A 17 -8.904 -3.393 -18.501 1.00 0.00 H new ATOM 0 HA SER A 17 -9.512 -4.454 -16.641 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.062 -7.081 -18.093 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.258 -6.716 -16.865 1.00 0.00 H new ATOM 0 HG SER A 17 -11.166 -6.726 -19.000 1.00 0.00 H new ATOM 292 N VAL A 18 -7.955 -6.355 -15.428 1.00 0.00 N ATOM 293 CA VAL A 18 -6.894 -6.873 -14.572 1.00 0.00 C ATOM 294 C VAL A 18 -6.186 -8.054 -15.228 1.00 0.00 C ATOM 295 O VAL A 18 -6.815 -8.875 -15.893 1.00 0.00 O ATOM 296 CB VAL A 18 -7.442 -7.314 -13.203 1.00 0.00 C ATOM 297 CG1 VAL A 18 -8.176 -6.166 -12.526 1.00 0.00 C ATOM 298 CG2 VAL A 18 -8.354 -8.522 -13.358 1.00 0.00 C ATOM 0 H VAL A 18 -8.894 -6.654 -15.164 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.181 -6.061 -14.425 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.602 -7.600 -12.570 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.556 -6.497 -11.560 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.490 -5.332 -12.380 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.008 -5.846 -13.153 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.732 -8.820 -12.380 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.191 -8.265 -14.008 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.793 -9.347 -13.797 1.00 0.00 H new ATOM 308 N GLU A 19 -4.873 -8.131 -15.035 1.00 0.00 N ATOM 309 CA GLU A 19 -4.079 -9.212 -15.608 1.00 0.00 C ATOM 310 C GLU A 19 -2.888 -9.545 -14.715 1.00 0.00 C ATOM 311 O GLU A 19 -1.926 -10.173 -15.156 1.00 0.00 O ATOM 312 CB GLU A 19 -3.591 -8.829 -17.007 1.00 0.00 C ATOM 313 CG GLU A 19 -3.138 -7.383 -17.119 1.00 0.00 C ATOM 314 CD GLU A 19 -2.623 -7.038 -18.503 1.00 0.00 C ATOM 315 OE1 GLU A 19 -3.042 -7.704 -19.474 1.00 0.00 O ATOM 316 OE2 GLU A 19 -1.803 -6.104 -18.616 1.00 0.00 O ATOM 0 H GLU A 19 -4.337 -7.458 -14.487 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.713 -10.095 -15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.764 -9.482 -17.286 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.393 -9.006 -17.724 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.971 -6.725 -16.871 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.354 -7.194 -16.386 1.00 0.00 H new ATOM 323 N GLU A 20 -2.960 -9.118 -13.458 1.00 0.00 N ATOM 324 CA GLU A 20 -1.887 -9.370 -12.504 1.00 0.00 C ATOM 325 C GLU A 20 -1.618 -10.866 -12.370 1.00 0.00 C ATOM 326 O GLU A 20 -0.534 -11.279 -11.958 1.00 0.00 O ATOM 327 CB GLU A 20 -2.241 -8.780 -11.137 1.00 0.00 C ATOM 328 CG GLU A 20 -2.749 -7.350 -11.204 1.00 0.00 C ATOM 329 CD GLU A 20 -2.893 -6.717 -9.834 1.00 0.00 C ATOM 330 OE1 GLU A 20 -1.912 -6.114 -9.352 1.00 0.00 O ATOM 331 OE2 GLU A 20 -3.989 -6.824 -9.244 1.00 0.00 O ATOM 0 H GLU A 20 -3.750 -8.596 -13.077 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.983 -8.888 -12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.000 -9.405 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.359 -8.814 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.064 -6.753 -11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.714 -7.335 -11.710 1.00 0.00 H new ATOM 338 N ASP A 21 -2.613 -11.674 -12.721 1.00 0.00 N ATOM 339 CA ASP A 21 -2.485 -13.124 -12.641 1.00 0.00 C ATOM 340 C ASP A 21 -1.909 -13.691 -13.935 1.00 0.00 C ATOM 341 O ASP A 21 -1.872 -14.906 -14.131 1.00 0.00 O ATOM 342 CB ASP A 21 -3.844 -13.763 -12.350 1.00 0.00 C ATOM 343 CG ASP A 21 -3.943 -14.295 -10.934 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.202 -15.244 -10.603 1.00 0.00 O ATOM 345 OD2 ASP A 21 -4.761 -13.761 -10.156 1.00 0.00 O ATOM 0 H ASP A 21 -3.517 -11.349 -13.064 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.800 -13.359 -11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.631 -13.027 -12.514 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.017 -14.577 -13.054 1.00 0.00 H new ATOM 350 N LYS A 22 -1.461 -12.803 -14.816 1.00 0.00 N ATOM 351 CA LYS A 22 -0.886 -13.213 -16.092 1.00 0.00 C ATOM 352 C LYS A 22 0.052 -12.140 -16.636 1.00 0.00 C ATOM 353 O LYS A 22 0.351 -12.112 -17.830 1.00 0.00 O ATOM 354 CB LYS A 22 -1.996 -13.497 -17.106 1.00 0.00 C ATOM 355 CG LYS A 22 -3.170 -12.538 -17.009 1.00 0.00 C ATOM 356 CD LYS A 22 -3.346 -11.741 -18.290 1.00 0.00 C ATOM 357 CE LYS A 22 -3.631 -12.649 -19.477 1.00 0.00 C ATOM 358 NZ LYS A 22 -4.684 -12.085 -20.366 1.00 0.00 N ATOM 0 H LYS A 22 -1.485 -11.794 -14.670 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.310 -14.124 -15.927 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.579 -13.447 -18.112 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.357 -14.515 -16.961 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.082 -13.098 -16.799 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.015 -11.856 -16.173 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.164 -11.031 -18.169 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.445 -11.159 -18.484 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.715 -12.798 -20.048 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.946 -13.629 -19.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.849 -12.733 -21.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.566 -11.966 -19.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.373 -11.161 -20.730 1.00 0.00 H new ATOM 372 N ILE A 23 0.514 -11.262 -15.753 1.00 0.00 N ATOM 373 CA ILE A 23 1.420 -10.189 -16.145 1.00 0.00 C ATOM 374 C ILE A 23 2.701 -10.223 -15.319 1.00 0.00 C ATOM 375 O ILE A 23 3.758 -9.789 -15.778 1.00 0.00 O ATOM 376 CB ILE A 23 0.758 -8.807 -15.988 1.00 0.00 C ATOM 377 CG1 ILE A 23 1.115 -7.909 -17.174 1.00 0.00 C ATOM 378 CG2 ILE A 23 1.186 -8.161 -14.679 1.00 0.00 C ATOM 379 CD1 ILE A 23 2.605 -7.747 -17.383 1.00 0.00 C ATOM 0 H ILE A 23 0.276 -11.272 -14.761 1.00 0.00 H new ATOM 0 HA ILE A 23 1.663 -10.349 -17.196 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.324 -8.938 -15.969 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.672 -8.324 -18.080 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.669 -6.926 -17.022 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.710 -7.185 -14.582 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.886 -8.795 -13.845 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.269 -8.039 -14.671 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.784 -7.098 -18.240 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.051 -7.303 -16.493 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.055 -8.723 -17.566 1.00 0.00 H new ATOM 391 N GLN A 24 2.600 -10.743 -14.100 1.00 0.00 N ATOM 392 CA GLN A 24 3.752 -10.835 -13.211 1.00 0.00 C ATOM 393 C GLN A 24 4.497 -12.150 -13.419 1.00 0.00 C ATOM 394 O GLN A 24 4.736 -12.895 -12.469 1.00 0.00 O ATOM 395 CB GLN A 24 3.309 -10.711 -11.753 1.00 0.00 C ATOM 396 CG GLN A 24 2.315 -11.779 -11.326 1.00 0.00 C ATOM 397 CD GLN A 24 2.913 -12.779 -10.356 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.768 -12.434 -9.539 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.466 -14.026 -10.440 1.00 0.00 N ATOM 0 H GLN A 24 1.733 -11.107 -13.706 1.00 0.00 H new ATOM 0 HA GLN A 24 4.429 -10.014 -13.448 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.187 -10.766 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.862 -9.729 -11.600 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.451 -11.302 -10.863 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.953 -12.307 -12.208 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.757 -14.268 -11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.832 -14.742 -9.813 1.00 0.00 H new ATOM 408 N MET A 25 4.860 -12.428 -14.667 1.00 0.00 N ATOM 409 CA MET A 25 5.578 -13.654 -14.998 1.00 0.00 C ATOM 410 C MET A 25 7.076 -13.485 -14.766 1.00 0.00 C ATOM 411 O MET A 25 7.855 -14.411 -14.988 1.00 0.00 O ATOM 412 CB MET A 25 5.315 -14.046 -16.453 1.00 0.00 C ATOM 413 CG MET A 25 4.377 -15.232 -16.603 1.00 0.00 C ATOM 414 SD MET A 25 5.226 -16.726 -17.151 1.00 0.00 S ATOM 415 CE MET A 25 4.401 -17.968 -16.159 1.00 0.00 C ATOM 0 H MET A 25 4.669 -11.822 -15.465 1.00 0.00 H new ATOM 0 HA MET A 25 5.215 -14.447 -14.345 1.00 0.00 H new ATOM 0 HB2 MET A 25 4.893 -13.191 -16.980 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.264 -14.281 -16.935 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.888 -15.426 -15.648 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.593 -14.982 -17.318 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.817 -18.950 -16.385 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.548 -17.746 -15.102 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.335 -17.965 -16.385 1.00 0.00 H new ATOM 425 N ASN A 26 7.471 -12.298 -14.319 1.00 0.00 N ATOM 426 CA ASN A 26 8.877 -12.009 -14.059 1.00 0.00 C ATOM 427 C ASN A 26 9.696 -12.091 -15.343 1.00 0.00 C ATOM 428 O ASN A 26 10.923 -12.190 -15.304 1.00 0.00 O ATOM 429 CB ASN A 26 9.436 -12.984 -13.021 1.00 0.00 C ATOM 430 CG ASN A 26 8.518 -13.144 -11.825 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.880 -14.183 -11.652 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.446 -12.112 -10.992 1.00 0.00 N ATOM 0 H ASN A 26 6.838 -11.521 -14.129 1.00 0.00 H new ATOM 0 HA ASN A 26 8.947 -10.994 -13.669 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.593 -13.956 -13.488 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.410 -12.631 -12.683 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.844 -12.161 -10.170 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.993 -11.270 -11.174 1.00 0.00 H new ATOM 439 N SER A 27 9.010 -12.048 -16.481 1.00 0.00 N ATOM 440 CA SER A 27 9.673 -12.121 -17.777 1.00 0.00 C ATOM 441 C SER A 27 9.570 -10.790 -18.516 1.00 0.00 C ATOM 442 O SER A 27 10.526 -10.016 -18.559 1.00 0.00 O ATOM 443 CB SER A 27 9.059 -13.236 -18.626 1.00 0.00 C ATOM 444 OG SER A 27 9.772 -14.450 -18.465 1.00 0.00 O ATOM 0 H SER A 27 7.995 -11.963 -16.531 1.00 0.00 H new ATOM 0 HA SER A 27 10.727 -12.342 -17.606 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.017 -13.382 -18.342 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.065 -12.943 -19.676 1.00 0.00 H new ATOM 0 HG SER A 27 9.359 -15.147 -19.016 1.00 0.00 H new ATOM 450 N ASN A 28 8.402 -10.530 -19.095 1.00 0.00 N ATOM 451 CA ASN A 28 8.173 -9.293 -19.832 1.00 0.00 C ATOM 452 C ASN A 28 6.703 -8.889 -19.774 1.00 0.00 C ATOM 453 O ASN A 28 5.844 -9.685 -19.394 1.00 0.00 O ATOM 454 CB ASN A 28 8.611 -9.455 -21.289 1.00 0.00 C ATOM 455 CG ASN A 28 9.741 -10.455 -21.446 1.00 0.00 C ATOM 456 OD1 ASN A 28 10.901 -10.145 -21.174 1.00 0.00 O ATOM 457 ND2 ASN A 28 9.405 -11.662 -21.886 1.00 0.00 N ATOM 0 H ASN A 28 7.600 -11.159 -19.068 1.00 0.00 H new ATOM 0 HA ASN A 28 8.766 -8.507 -19.366 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.759 -9.777 -21.888 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.928 -8.488 -21.680 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.122 -12.377 -22.011 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.430 -11.874 -22.099 1.00 0.00 H new ATOM 464 N PHE A 29 6.421 -7.648 -20.153 1.00 0.00 N ATOM 465 CA PHE A 29 5.055 -7.137 -20.144 1.00 0.00 C ATOM 466 C PHE A 29 4.347 -7.452 -21.458 1.00 0.00 C ATOM 467 O PHE A 29 3.320 -8.132 -21.478 1.00 0.00 O ATOM 468 CB PHE A 29 5.054 -5.626 -19.900 1.00 0.00 C ATOM 469 CG PHE A 29 4.607 -5.242 -18.519 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.351 -5.608 -17.409 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.442 -4.515 -18.330 1.00 0.00 C ATOM 472 CE1 PHE A 29 4.942 -5.256 -16.136 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.029 -4.160 -17.060 1.00 0.00 C ATOM 474 CZ PHE A 29 3.779 -4.532 -15.962 1.00 0.00 C ATOM 0 H PHE A 29 7.120 -6.977 -20.471 1.00 0.00 H new ATOM 0 HA PHE A 29 4.516 -7.629 -19.335 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.059 -5.238 -20.069 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.401 -5.149 -20.630 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.261 -6.175 -17.540 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.850 -4.223 -19.185 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.531 -5.547 -15.279 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.120 -3.592 -16.926 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.457 -4.257 -14.969 1.00 0.00 H new ATOM 484 N THR A 30 4.903 -6.952 -22.558 1.00 0.00 N ATOM 485 CA THR A 30 4.326 -7.177 -23.877 1.00 0.00 C ATOM 486 C THR A 30 5.187 -8.130 -24.698 1.00 0.00 C ATOM 487 O THR A 30 5.022 -8.242 -25.913 1.00 0.00 O ATOM 488 CB THR A 30 4.160 -5.856 -24.651 1.00 0.00 C ATOM 489 OG1 THR A 30 3.551 -6.106 -25.922 1.00 0.00 O ATOM 490 CG2 THR A 30 5.505 -5.175 -24.852 1.00 0.00 C ATOM 0 H THR A 30 5.753 -6.388 -22.561 1.00 0.00 H new ATOM 0 HA THR A 30 3.344 -7.623 -23.720 1.00 0.00 H new ATOM 0 HB THR A 30 3.520 -5.195 -24.066 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.040 -6.818 -26.384 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.363 -4.244 -25.401 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.952 -4.960 -23.882 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.165 -5.833 -25.418 1.00 0.00 H new ATOM 498 N LYS A 31 6.107 -8.815 -24.028 1.00 0.00 N ATOM 499 CA LYS A 31 6.994 -9.761 -24.695 1.00 0.00 C ATOM 500 C LYS A 31 6.817 -11.166 -24.128 1.00 0.00 C ATOM 501 O LYS A 31 7.278 -12.145 -24.715 1.00 0.00 O ATOM 502 CB LYS A 31 8.451 -9.318 -24.545 1.00 0.00 C ATOM 503 CG LYS A 31 8.606 -7.857 -24.159 1.00 0.00 C ATOM 504 CD LYS A 31 10.067 -7.479 -23.985 1.00 0.00 C ATOM 505 CE LYS A 31 10.542 -6.560 -25.100 1.00 0.00 C ATOM 506 NZ LYS A 31 11.745 -5.778 -24.701 1.00 0.00 N ATOM 0 H LYS A 31 6.258 -8.733 -23.023 1.00 0.00 H new ATOM 0 HA LYS A 31 6.734 -9.781 -25.753 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.935 -9.938 -23.790 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.974 -9.494 -25.485 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.155 -7.227 -24.926 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.067 -7.665 -23.231 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.204 -6.986 -23.023 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.678 -8.381 -23.971 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.772 -7.152 -25.986 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.739 -5.876 -25.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.037 -5.164 -25.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.519 -5.193 -23.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.520 -6.430 -24.464 1.00 0.00 H new ATOM 520 N ASP A 32 6.148 -11.257 -22.984 1.00 0.00 N ATOM 521 CA ASP A 32 5.908 -12.543 -22.339 1.00 0.00 C ATOM 522 C ASP A 32 4.487 -13.029 -22.608 1.00 0.00 C ATOM 523 O ASP A 32 4.283 -14.050 -23.266 1.00 0.00 O ATOM 524 CB ASP A 32 6.146 -12.434 -20.832 1.00 0.00 C ATOM 525 CG ASP A 32 5.937 -13.753 -20.116 1.00 0.00 C ATOM 526 OD1 ASP A 32 6.836 -14.617 -20.190 1.00 0.00 O ATOM 527 OD2 ASP A 32 4.874 -13.923 -19.482 1.00 0.00 O ATOM 0 H ASP A 32 5.762 -10.456 -22.484 1.00 0.00 H new ATOM 0 HA ASP A 32 6.606 -13.268 -22.758 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.162 -12.083 -20.652 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.472 -11.686 -20.414 1.00 0.00 H new ATOM 532 N LEU A 33 3.508 -12.293 -22.094 1.00 0.00 N ATOM 533 CA LEU A 33 2.106 -12.649 -22.278 1.00 0.00 C ATOM 534 C LEU A 33 1.650 -12.352 -23.703 1.00 0.00 C ATOM 535 O LEU A 33 0.845 -13.086 -24.274 1.00 0.00 O ATOM 536 CB LEU A 33 1.231 -11.888 -21.281 1.00 0.00 C ATOM 537 CG LEU A 33 1.467 -10.379 -21.195 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.223 -9.619 -21.626 1.00 0.00 C ATOM 539 CD2 LEU A 33 1.876 -9.983 -19.784 1.00 0.00 C ATOM 0 H LEU A 33 3.659 -11.446 -21.546 1.00 0.00 H new ATOM 0 HA LEU A 33 2.003 -13.719 -22.100 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.186 -12.058 -21.542 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.386 -12.317 -20.291 1.00 0.00 H new ATOM 0 HG LEU A 33 2.279 -10.118 -21.873 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.410 -8.547 -21.558 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.025 -9.880 -22.655 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.609 -9.884 -20.974 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.040 -8.906 -19.741 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.086 -10.258 -19.085 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.796 -10.501 -19.513 1.00 0.00 H new ATOM 551 N GLY A 34 2.172 -11.269 -24.272 1.00 0.00 N ATOM 552 CA GLY A 34 1.809 -10.895 -25.626 1.00 0.00 C ATOM 553 C GLY A 34 0.432 -10.266 -25.704 1.00 0.00 C ATOM 554 O GLY A 34 -0.446 -10.763 -26.408 1.00 0.00 O ATOM 0 H GLY A 34 2.839 -10.645 -23.819 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.548 -10.195 -26.017 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.838 -11.778 -26.264 1.00 0.00 H new ATOM 558 N ALA A 35 0.242 -9.169 -24.978 1.00 0.00 N ATOM 559 CA ALA A 35 -1.037 -8.471 -24.968 1.00 0.00 C ATOM 560 C ALA A 35 -1.190 -7.588 -26.201 1.00 0.00 C ATOM 561 O ALA A 35 -1.910 -7.933 -27.139 1.00 0.00 O ATOM 562 CB ALA A 35 -1.176 -7.641 -23.701 1.00 0.00 C ATOM 0 H ALA A 35 0.958 -8.745 -24.389 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.830 -9.218 -24.988 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.136 -7.125 -23.707 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.121 -8.294 -22.830 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.371 -6.908 -23.656 1.00 0.00 H new ATOM 568 N ASP A 36 -0.510 -6.447 -26.194 1.00 0.00 N ATOM 569 CA ASP A 36 -0.570 -5.514 -27.313 1.00 0.00 C ATOM 570 C ASP A 36 0.312 -4.296 -27.053 1.00 0.00 C ATOM 571 O ASP A 36 0.273 -3.664 -25.999 1.00 0.00 O ATOM 572 CB ASP A 36 -2.013 -5.071 -27.558 1.00 0.00 C ATOM 573 CG ASP A 36 -2.502 -5.436 -28.946 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.869 -6.611 -29.155 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.518 -4.547 -29.823 1.00 0.00 O ATOM 0 H ASP A 36 0.089 -6.146 -25.426 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.199 -6.026 -28.201 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.663 -5.532 -26.814 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.087 -3.992 -27.422 1.00 0.00 H new ATOM 580 N SER A 37 1.146 -3.944 -28.046 1.00 0.00 N ATOM 581 CA SER A 37 2.099 -2.811 -28.027 1.00 0.00 C ATOM 582 C SER A 37 1.428 -1.477 -27.660 1.00 0.00 C ATOM 583 O SER A 37 1.995 -0.638 -26.959 1.00 0.00 O ATOM 584 CB SER A 37 2.759 -2.755 -29.414 1.00 0.00 C ATOM 585 OG SER A 37 1.807 -2.414 -30.423 1.00 0.00 O ATOM 0 H SER A 37 1.179 -4.461 -28.924 1.00 0.00 H new ATOM 0 HA SER A 37 2.846 -2.970 -27.250 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.565 -2.021 -29.407 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.209 -3.721 -29.645 1.00 0.00 H new ATOM 0 HG SER A 37 2.252 -2.383 -31.296 1.00 0.00 H new ATOM 590 N LEU A 38 0.207 -1.301 -28.153 1.00 0.00 N ATOM 591 CA LEU A 38 -0.555 -0.085 -27.892 1.00 0.00 C ATOM 592 C LEU A 38 -0.987 -0.015 -26.431 1.00 0.00 C ATOM 593 O LEU A 38 -0.851 1.021 -25.782 1.00 0.00 O ATOM 594 CB LEU A 38 -1.782 -0.024 -28.803 1.00 0.00 C ATOM 595 CG LEU A 38 -1.543 -0.359 -30.275 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.885 -1.815 -30.553 1.00 0.00 C ATOM 597 CD2 LEU A 38 -2.358 0.562 -31.172 1.00 0.00 C ATOM 0 H LEU A 38 -0.276 -1.985 -28.735 1.00 0.00 H new ATOM 0 HA LEU A 38 0.088 0.770 -28.102 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.534 -0.710 -28.413 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.204 0.979 -28.743 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.487 -0.206 -30.495 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.709 -2.036 -31.606 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.258 -2.460 -29.937 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.934 -1.994 -30.315 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.175 0.308 -32.216 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.418 0.441 -30.950 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.065 1.597 -30.993 1.00 0.00 H new ATOM 609 N ASP A 39 -1.507 -1.126 -25.920 1.00 0.00 N ATOM 610 CA ASP A 39 -1.956 -1.193 -24.535 1.00 0.00 C ATOM 611 C ASP A 39 -0.778 -1.060 -23.574 1.00 0.00 C ATOM 612 O ASP A 39 -0.795 -0.228 -22.666 1.00 0.00 O ATOM 613 CB ASP A 39 -2.693 -2.509 -24.278 1.00 0.00 C ATOM 614 CG ASP A 39 -3.746 -2.797 -25.329 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.258 -1.833 -25.937 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.058 -3.987 -25.545 1.00 0.00 O ATOM 0 H ASP A 39 -1.628 -1.992 -26.445 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.640 -0.362 -24.361 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.973 -3.327 -24.256 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.164 -2.472 -23.296 1.00 0.00 H new ATOM 621 N LEU A 40 0.243 -1.884 -23.780 1.00 0.00 N ATOM 622 CA LEU A 40 1.430 -1.859 -22.933 1.00 0.00 C ATOM 623 C LEU A 40 1.973 -0.440 -22.797 1.00 0.00 C ATOM 624 O LEU A 40 2.205 0.044 -21.690 1.00 0.00 O ATOM 625 CB LEU A 40 2.510 -2.778 -23.506 1.00 0.00 C ATOM 626 CG LEU A 40 3.826 -2.833 -22.730 1.00 0.00 C ATOM 627 CD1 LEU A 40 4.743 -1.696 -23.152 1.00 0.00 C ATOM 628 CD2 LEU A 40 3.564 -2.781 -21.231 1.00 0.00 C ATOM 0 H LEU A 40 0.273 -2.578 -24.527 1.00 0.00 H new ATOM 0 HA LEU A 40 1.146 -2.216 -21.943 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.105 -3.788 -23.566 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.726 -2.460 -24.526 1.00 0.00 H new ATOM 0 HG LEU A 40 4.322 -3.776 -22.960 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.675 -1.752 -22.589 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.958 -1.778 -24.218 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.255 -0.742 -22.953 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.512 -2.821 -20.694 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.046 -1.854 -20.984 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.946 -3.630 -20.940 1.00 0.00 H new ATOM 640 N VAL A 41 2.171 0.223 -23.933 1.00 0.00 N ATOM 641 CA VAL A 41 2.684 1.588 -23.941 1.00 0.00 C ATOM 642 C VAL A 41 1.652 2.566 -23.391 1.00 0.00 C ATOM 643 O VAL A 41 1.998 3.647 -22.918 1.00 0.00 O ATOM 644 CB VAL A 41 3.086 2.027 -25.362 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.616 3.453 -25.350 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.116 1.071 -25.943 1.00 0.00 C ATOM 0 H VAL A 41 1.984 -0.163 -24.858 1.00 0.00 H new ATOM 0 HA VAL A 41 3.567 1.599 -23.302 1.00 0.00 H new ATOM 0 HB VAL A 41 2.200 2.000 -25.997 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.895 3.746 -26.362 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.843 4.125 -24.978 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.490 3.511 -24.702 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.389 1.396 -26.947 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.004 1.064 -25.310 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.695 0.067 -25.989 1.00 0.00 H new ATOM 656 N GLU A 42 0.382 2.177 -23.457 1.00 0.00 N ATOM 657 CA GLU A 42 -0.701 3.020 -22.966 1.00 0.00 C ATOM 658 C GLU A 42 -0.742 3.019 -21.440 1.00 0.00 C ATOM 659 O GLU A 42 -0.550 4.054 -20.801 1.00 0.00 O ATOM 660 CB GLU A 42 -2.043 2.543 -23.524 1.00 0.00 C ATOM 661 CG GLU A 42 -2.451 3.241 -24.810 1.00 0.00 C ATOM 662 CD GLU A 42 -3.318 4.459 -24.563 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.499 4.831 -23.385 1.00 0.00 O ATOM 664 OE2 GLU A 42 -3.817 5.042 -25.549 1.00 0.00 O ATOM 0 H GLU A 42 0.079 1.284 -23.846 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.517 4.039 -23.307 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.991 1.469 -23.704 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.817 2.703 -22.773 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.556 3.541 -25.356 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.991 2.538 -25.445 1.00 0.00 H new ATOM 671 N LEU A 43 -0.995 1.849 -20.863 1.00 0.00 N ATOM 672 CA LEU A 43 -1.063 1.711 -19.412 1.00 0.00 C ATOM 673 C LEU A 43 0.173 2.312 -18.750 1.00 0.00 C ATOM 674 O LEU A 43 0.076 2.964 -17.710 1.00 0.00 O ATOM 675 CB LEU A 43 -1.197 0.237 -19.026 1.00 0.00 C ATOM 676 CG LEU A 43 -0.061 -0.681 -19.477 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.873 -0.984 -18.316 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.617 -1.968 -20.067 1.00 0.00 C ATOM 0 H LEU A 43 -1.156 0.983 -21.377 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.941 2.253 -19.060 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.280 0.172 -17.941 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.131 -0.143 -19.441 1.00 0.00 H new ATOM 0 HG LEU A 43 0.510 -0.168 -20.251 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.675 -1.639 -18.656 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.299 -0.054 -17.939 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.315 -1.477 -17.520 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.206 -2.609 -20.383 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.212 -2.486 -19.315 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.244 -1.733 -20.927 1.00 0.00 H new ATOM 690 N ILE A 44 1.332 2.089 -19.360 1.00 0.00 N ATOM 691 CA ILE A 44 2.586 2.611 -18.831 1.00 0.00 C ATOM 692 C ILE A 44 2.595 4.136 -18.843 1.00 0.00 C ATOM 693 O ILE A 44 2.944 4.772 -17.849 1.00 0.00 O ATOM 694 CB ILE A 44 3.794 2.095 -19.635 1.00 0.00 C ATOM 695 CG1 ILE A 44 4.028 0.610 -19.349 1.00 0.00 C ATOM 696 CG2 ILE A 44 5.037 2.906 -19.301 1.00 0.00 C ATOM 697 CD1 ILE A 44 5.176 0.017 -20.135 1.00 0.00 C ATOM 0 H ILE A 44 1.429 1.550 -20.221 1.00 0.00 H new ATOM 0 HA ILE A 44 2.667 2.258 -17.803 1.00 0.00 H new ATOM 0 HB ILE A 44 3.582 2.212 -20.698 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.222 0.479 -18.284 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.117 0.056 -19.578 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.883 2.530 -19.877 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.866 3.953 -19.550 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.254 2.817 -18.237 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.284 -1.038 -19.882 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.976 0.116 -21.202 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.097 0.545 -19.888 1.00 0.00 H new ATOM 709 N MET A 45 2.207 4.715 -19.974 1.00 0.00 N ATOM 710 CA MET A 45 2.168 6.166 -20.115 1.00 0.00 C ATOM 711 C MET A 45 1.396 6.803 -18.964 1.00 0.00 C ATOM 712 O MET A 45 1.715 7.907 -18.525 1.00 0.00 O ATOM 713 CB MET A 45 1.529 6.554 -21.449 1.00 0.00 C ATOM 714 CG MET A 45 0.097 7.047 -21.317 1.00 0.00 C ATOM 715 SD MET A 45 -0.705 7.287 -22.914 1.00 0.00 S ATOM 716 CE MET A 45 -0.159 8.943 -23.321 1.00 0.00 C ATOM 0 H MET A 45 1.915 4.202 -20.806 1.00 0.00 H new ATOM 0 HA MET A 45 3.193 6.536 -20.091 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.131 7.333 -21.918 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.548 5.692 -22.116 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.477 6.330 -20.730 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.090 7.988 -20.766 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.574 9.236 -24.285 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.500 9.638 -22.553 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.930 8.965 -23.372 1.00 0.00 H new ATOM 726 N ALA A 46 0.377 6.099 -18.479 1.00 0.00 N ATOM 727 CA ALA A 46 -0.439 6.596 -17.378 1.00 0.00 C ATOM 728 C ALA A 46 0.294 6.462 -16.048 1.00 0.00 C ATOM 729 O ALA A 46 0.211 7.342 -15.190 1.00 0.00 O ATOM 730 CB ALA A 46 -1.766 5.853 -17.329 1.00 0.00 C ATOM 0 H ALA A 46 0.098 5.183 -18.831 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.633 7.655 -17.550 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.366 6.234 -16.502 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.302 6.004 -18.266 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.582 4.789 -17.184 1.00 0.00 H new ATOM 736 N LEU A 47 1.011 5.356 -15.881 1.00 0.00 N ATOM 737 CA LEU A 47 1.758 5.106 -14.654 1.00 0.00 C ATOM 738 C LEU A 47 2.752 6.231 -14.383 1.00 0.00 C ATOM 739 O LEU A 47 2.773 6.805 -13.295 1.00 0.00 O ATOM 740 CB LEU A 47 2.496 3.769 -14.746 1.00 0.00 C ATOM 741 CG LEU A 47 2.553 2.944 -13.460 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.238 1.610 -13.711 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.272 3.716 -12.362 1.00 0.00 C ATOM 0 H LEU A 47 1.091 4.618 -16.581 1.00 0.00 H new ATOM 0 HA LEU A 47 1.048 5.066 -13.828 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.020 3.167 -15.520 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.517 3.962 -15.076 1.00 0.00 H new ATOM 0 HG LEU A 47 1.532 2.749 -13.131 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.269 1.037 -12.784 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.682 1.052 -14.464 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.254 1.784 -14.064 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.303 3.114 -11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.289 3.942 -12.682 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.739 4.646 -12.162 1.00 0.00 H new ATOM 755 N GLU A 48 3.573 6.541 -15.382 1.00 0.00 N ATOM 756 CA GLU A 48 4.569 7.599 -15.251 1.00 0.00 C ATOM 757 C GLU A 48 3.898 8.961 -15.094 1.00 0.00 C ATOM 758 O GLU A 48 4.289 9.762 -14.246 1.00 0.00 O ATOM 759 CB GLU A 48 5.495 7.612 -16.469 1.00 0.00 C ATOM 760 CG GLU A 48 4.758 7.728 -17.793 1.00 0.00 C ATOM 761 CD GLU A 48 4.653 9.161 -18.277 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.979 10.077 -17.493 1.00 0.00 O ATOM 763 OE2 GLU A 48 4.246 9.367 -19.440 1.00 0.00 O ATOM 0 H GLU A 48 3.568 6.075 -16.290 1.00 0.00 H new ATOM 0 HA GLU A 48 5.159 7.398 -14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.192 8.445 -16.376 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.090 6.698 -16.473 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.273 7.131 -18.545 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.757 7.310 -17.685 1.00 0.00 H new ATOM 770 N GLU A 49 2.887 9.214 -15.919 1.00 0.00 N ATOM 771 CA GLU A 49 2.163 10.479 -15.872 1.00 0.00 C ATOM 772 C GLU A 49 1.704 10.792 -14.451 1.00 0.00 C ATOM 773 O GLU A 49 1.676 11.951 -14.036 1.00 0.00 O ATOM 774 CB GLU A 49 0.956 10.437 -16.812 1.00 0.00 C ATOM 775 CG GLU A 49 0.332 11.799 -17.063 1.00 0.00 C ATOM 776 CD GLU A 49 1.196 12.683 -17.941 1.00 0.00 C ATOM 777 OE1 GLU A 49 2.145 13.299 -17.412 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.924 12.759 -19.157 1.00 0.00 O ATOM 0 H GLU A 49 2.551 8.561 -16.627 1.00 0.00 H new ATOM 0 HA GLU A 49 2.841 11.268 -16.198 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.263 10.006 -17.765 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.201 9.773 -16.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.642 11.667 -17.534 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.160 12.297 -16.109 1.00 0.00 H new ATOM 785 N LYS A 50 1.345 9.750 -13.709 1.00 0.00 N ATOM 786 CA LYS A 50 0.888 9.911 -12.334 1.00 0.00 C ATOM 787 C LYS A 50 2.069 10.082 -11.384 1.00 0.00 C ATOM 788 O LYS A 50 2.023 10.894 -10.460 1.00 0.00 O ATOM 789 CB LYS A 50 0.049 8.703 -11.909 1.00 0.00 C ATOM 790 CG LYS A 50 -0.427 8.770 -10.468 1.00 0.00 C ATOM 791 CD LYS A 50 -0.948 7.425 -9.990 1.00 0.00 C ATOM 792 CE LYS A 50 -2.131 6.958 -10.824 1.00 0.00 C ATOM 793 NZ LYS A 50 -1.707 6.059 -11.933 1.00 0.00 N ATOM 0 H LYS A 50 1.362 8.784 -14.037 1.00 0.00 H new ATOM 0 HA LYS A 50 0.272 10.809 -12.285 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.817 8.624 -12.566 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.637 7.796 -12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.394 9.092 -9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.214 9.519 -10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.150 6.685 -10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.246 7.500 -8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.842 6.435 -10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.649 7.824 -11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.448 6.033 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.823 6.415 -12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.553 5.100 -11.562 1.00 0.00 H new ATOM 807 N PHE A 51 3.127 9.312 -11.618 1.00 0.00 N ATOM 808 CA PHE A 51 4.321 9.379 -10.784 1.00 0.00 C ATOM 809 C PHE A 51 5.049 10.706 -10.982 1.00 0.00 C ATOM 810 O PHE A 51 5.953 11.049 -10.221 1.00 0.00 O ATOM 811 CB PHE A 51 5.261 8.216 -11.107 1.00 0.00 C ATOM 812 CG PHE A 51 5.144 7.067 -10.147 1.00 0.00 C ATOM 813 CD1 PHE A 51 5.205 7.281 -8.779 1.00 0.00 C ATOM 814 CD2 PHE A 51 4.974 5.773 -10.612 1.00 0.00 C ATOM 815 CE1 PHE A 51 5.098 6.225 -7.893 1.00 0.00 C ATOM 816 CE2 PHE A 51 4.867 4.713 -9.731 1.00 0.00 C ATOM 817 CZ PHE A 51 4.928 4.940 -8.370 1.00 0.00 C ATOM 0 H PHE A 51 3.181 8.634 -12.378 1.00 0.00 H new ATOM 0 HA PHE A 51 4.010 9.307 -9.742 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.052 7.859 -12.115 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.289 8.578 -11.104 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.338 8.284 -8.401 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.924 5.590 -11.675 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.147 6.405 -6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.736 3.709 -10.106 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.843 4.114 -7.680 1.00 0.00 H new ATOM 827 N ASN A 52 4.648 11.447 -12.010 1.00 0.00 N ATOM 828 CA ASN A 52 5.262 12.735 -12.309 1.00 0.00 C ATOM 829 C ASN A 52 6.706 12.556 -12.769 1.00 0.00 C ATOM 830 O ASN A 52 7.596 13.304 -12.364 1.00 0.00 O ATOM 831 CB ASN A 52 5.216 13.644 -11.079 1.00 0.00 C ATOM 832 CG ASN A 52 5.445 15.102 -11.428 1.00 0.00 C ATOM 833 OD1 ASN A 52 6.071 15.418 -12.440 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.936 15.997 -10.590 1.00 0.00 N ATOM 0 H ASN A 52 3.901 11.177 -12.650 1.00 0.00 H new ATOM 0 HA ASN A 52 4.697 13.199 -13.117 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.248 13.538 -10.589 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.973 13.321 -10.364 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.057 16.993 -10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.424 15.688 -9.763 1.00 0.00 H new ATOM 841 N VAL A 53 6.931 11.559 -13.619 1.00 0.00 N ATOM 842 CA VAL A 53 8.266 11.281 -14.136 1.00 0.00 C ATOM 843 C VAL A 53 8.326 11.496 -15.644 1.00 0.00 C ATOM 844 O VAL A 53 7.338 11.884 -16.268 1.00 0.00 O ATOM 845 CB VAL A 53 8.703 9.840 -13.816 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.539 9.805 -12.545 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.490 8.930 -13.691 1.00 0.00 C ATOM 0 H VAL A 53 6.206 10.930 -13.964 1.00 0.00 H new ATOM 0 HA VAL A 53 8.947 11.976 -13.645 1.00 0.00 H new ATOM 0 HB VAL A 53 9.319 9.475 -14.638 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.839 8.778 -12.335 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.427 10.423 -12.677 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.951 10.189 -11.712 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.818 7.915 -13.465 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.846 9.290 -12.889 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.936 8.931 -14.630 1.00 0.00 H new ATOM 857 N THR A 54 9.494 11.241 -16.227 1.00 0.00 N ATOM 858 CA THR A 54 9.684 11.406 -17.662 1.00 0.00 C ATOM 859 C THR A 54 10.476 10.243 -18.249 1.00 0.00 C ATOM 860 O THR A 54 11.648 10.391 -18.597 1.00 0.00 O ATOM 861 CB THR A 54 10.415 12.724 -17.983 1.00 0.00 C ATOM 862 OG1 THR A 54 10.704 12.795 -19.384 1.00 0.00 O ATOM 863 CG2 THR A 54 11.707 12.834 -17.188 1.00 0.00 C ATOM 0 H THR A 54 10.322 10.919 -15.726 1.00 0.00 H new ATOM 0 HA THR A 54 8.692 11.430 -18.112 1.00 0.00 H new ATOM 0 HB THR A 54 9.764 13.552 -17.704 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.304 12.061 -19.632 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.205 13.772 -17.431 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.481 12.809 -16.122 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.362 12.000 -17.440 1.00 0.00 H new ATOM 871 N ILE A 55 9.828 9.088 -18.358 1.00 0.00 N ATOM 872 CA ILE A 55 10.472 7.901 -18.906 1.00 0.00 C ATOM 873 C ILE A 55 9.820 7.478 -20.218 1.00 0.00 C ATOM 874 O ILE A 55 10.440 7.541 -21.280 1.00 0.00 O ATOM 875 CB ILE A 55 10.417 6.723 -17.915 1.00 0.00 C ATOM 876 CG1 ILE A 55 10.134 7.232 -16.500 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.720 5.939 -17.951 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.660 7.377 -16.194 1.00 0.00 C ATOM 0 H ILE A 55 8.858 8.949 -18.074 1.00 0.00 H new ATOM 0 HA ILE A 55 11.514 8.163 -19.089 1.00 0.00 H new ATOM 0 HB ILE A 55 9.607 6.056 -18.210 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.581 6.546 -15.780 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.621 8.198 -16.366 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.665 5.110 -17.245 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.883 5.550 -18.956 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.547 6.595 -17.677 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.534 7.742 -15.175 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.212 8.085 -16.891 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.170 6.409 -16.296 1.00 0.00 H new ATOM 890 N SER A 56 8.565 7.047 -20.137 1.00 0.00 N ATOM 891 CA SER A 56 7.829 6.611 -21.318 1.00 0.00 C ATOM 892 C SER A 56 8.544 5.453 -22.007 1.00 0.00 C ATOM 893 O SER A 56 8.298 4.286 -21.700 1.00 0.00 O ATOM 894 CB SER A 56 7.659 7.775 -22.297 1.00 0.00 C ATOM 895 OG SER A 56 7.196 7.318 -23.556 1.00 0.00 O ATOM 0 H SER A 56 8.037 6.990 -19.266 1.00 0.00 H new ATOM 0 HA SER A 56 6.845 6.268 -20.997 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.954 8.499 -21.888 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.611 8.292 -22.421 1.00 0.00 H new ATOM 0 HG SER A 56 7.094 8.080 -24.163 1.00 0.00 H new ATOM 901 N ASP A 57 9.430 5.784 -22.940 1.00 0.00 N ATOM 902 CA ASP A 57 10.182 4.772 -23.673 1.00 0.00 C ATOM 903 C ASP A 57 11.011 3.916 -22.721 1.00 0.00 C ATOM 904 O ASP A 57 10.839 2.699 -22.658 1.00 0.00 O ATOM 905 CB ASP A 57 11.093 5.434 -24.708 1.00 0.00 C ATOM 906 CG ASP A 57 10.312 6.126 -25.808 1.00 0.00 C ATOM 907 OD1 ASP A 57 9.423 5.480 -26.400 1.00 0.00 O ATOM 908 OD2 ASP A 57 10.591 7.313 -26.078 1.00 0.00 O ATOM 0 H ASP A 57 9.645 6.745 -23.207 1.00 0.00 H new ATOM 0 HA ASP A 57 9.470 4.126 -24.187 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.736 6.160 -24.210 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.745 4.680 -25.149 1.00 0.00 H new ATOM 913 N GLN A 58 11.911 4.560 -21.985 1.00 0.00 N ATOM 914 CA GLN A 58 12.768 3.856 -21.038 1.00 0.00 C ATOM 915 C GLN A 58 11.939 2.998 -20.088 1.00 0.00 C ATOM 916 O GLN A 58 12.435 2.021 -19.525 1.00 0.00 O ATOM 917 CB GLN A 58 13.609 4.854 -20.240 1.00 0.00 C ATOM 918 CG GLN A 58 15.065 4.907 -20.675 1.00 0.00 C ATOM 919 CD GLN A 58 15.303 5.899 -21.796 1.00 0.00 C ATOM 920 OE1 GLN A 58 15.684 7.045 -21.556 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.080 5.462 -23.030 1.00 0.00 N ATOM 0 H GLN A 58 12.066 5.567 -22.026 1.00 0.00 H new ATOM 0 HA GLN A 58 13.432 3.202 -21.604 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.172 5.847 -20.341 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.563 4.592 -19.183 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.686 5.175 -19.820 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.380 3.915 -21.000 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.765 4.504 -23.183 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.224 6.084 -23.825 1.00 0.00 H new ATOM 930 N ASP A 59 10.675 3.368 -19.914 1.00 0.00 N ATOM 931 CA ASP A 59 9.777 2.631 -19.032 1.00 0.00 C ATOM 932 C ASP A 59 9.370 1.301 -19.659 1.00 0.00 C ATOM 933 O ASP A 59 9.522 0.244 -19.048 1.00 0.00 O ATOM 934 CB ASP A 59 8.533 3.466 -18.723 1.00 0.00 C ATOM 935 CG ASP A 59 8.540 4.015 -17.310 1.00 0.00 C ATOM 936 OD1 ASP A 59 9.641 4.186 -16.745 1.00 0.00 O ATOM 937 OD2 ASP A 59 7.445 4.274 -16.769 1.00 0.00 O ATOM 0 H ASP A 59 10.249 4.174 -20.372 1.00 0.00 H new ATOM 0 HA ASP A 59 10.308 2.426 -18.102 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.469 4.293 -19.430 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.643 2.854 -18.867 1.00 0.00 H new ATOM 942 N ALA A 60 8.852 1.363 -20.881 1.00 0.00 N ATOM 943 CA ALA A 60 8.424 0.164 -21.590 1.00 0.00 C ATOM 944 C ALA A 60 9.543 -0.870 -21.645 1.00 0.00 C ATOM 945 O ALA A 60 9.289 -2.069 -21.771 1.00 0.00 O ATOM 946 CB ALA A 60 7.962 0.519 -22.996 1.00 0.00 C ATOM 0 H ALA A 60 8.719 2.231 -21.400 1.00 0.00 H new ATOM 0 HA ALA A 60 7.588 -0.272 -21.043 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.645 -0.386 -23.514 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.126 1.216 -22.939 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.784 0.982 -23.543 1.00 0.00 H new ATOM 952 N LEU A 61 10.782 -0.400 -21.549 1.00 0.00 N ATOM 953 CA LEU A 61 11.941 -1.285 -21.588 1.00 0.00 C ATOM 954 C LEU A 61 12.527 -1.477 -20.193 1.00 0.00 C ATOM 955 O LEU A 61 13.737 -1.639 -20.032 1.00 0.00 O ATOM 956 CB LEU A 61 13.008 -0.719 -22.528 1.00 0.00 C ATOM 957 CG LEU A 61 13.479 0.704 -22.229 1.00 0.00 C ATOM 958 CD1 LEU A 61 14.766 0.681 -21.418 1.00 0.00 C ATOM 959 CD2 LEU A 61 13.674 1.484 -23.521 1.00 0.00 C ATOM 0 H LEU A 61 11.010 0.589 -21.444 1.00 0.00 H new ATOM 0 HA LEU A 61 11.614 -2.255 -21.961 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.874 -1.380 -22.502 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.618 -0.745 -23.545 1.00 0.00 H new ATOM 0 HG LEU A 61 12.711 1.204 -21.639 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.086 1.703 -21.215 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.593 0.161 -20.476 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.542 0.163 -21.982 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.009 2.495 -23.289 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.423 0.986 -24.137 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.730 1.531 -24.064 1.00 0.00 H new ATOM 971 N LYS A 62 11.660 -1.460 -19.186 1.00 0.00 N ATOM 972 CA LYS A 62 12.089 -1.636 -17.803 1.00 0.00 C ATOM 973 C LYS A 62 11.018 -2.353 -16.988 1.00 0.00 C ATOM 974 O LYS A 62 11.277 -3.395 -16.386 1.00 0.00 O ATOM 975 CB LYS A 62 12.405 -0.279 -17.169 1.00 0.00 C ATOM 976 CG LYS A 62 13.873 -0.096 -16.826 1.00 0.00 C ATOM 977 CD LYS A 62 14.085 1.087 -15.895 1.00 0.00 C ATOM 978 CE LYS A 62 14.741 2.254 -16.616 1.00 0.00 C ATOM 979 NZ LYS A 62 16.138 2.477 -16.153 1.00 0.00 N ATOM 0 H LYS A 62 10.655 -1.326 -19.302 1.00 0.00 H new ATOM 0 HA LYS A 62 12.990 -2.249 -17.804 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.099 0.512 -17.853 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.811 -0.164 -16.262 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.254 -1.003 -16.356 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.446 0.053 -17.741 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.126 1.404 -15.484 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.707 0.782 -15.053 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.740 2.065 -17.689 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.155 3.158 -16.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.392 3.477 -16.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.213 2.232 -15.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.786 1.879 -16.704 1.00 0.00 H new ATOM 993 N ILE A 63 9.815 -1.788 -16.974 1.00 0.00 N ATOM 994 CA ILE A 63 8.705 -2.376 -16.235 1.00 0.00 C ATOM 995 C ILE A 63 8.403 -3.788 -16.726 1.00 0.00 C ATOM 996 O ILE A 63 7.765 -4.575 -16.029 1.00 0.00 O ATOM 997 CB ILE A 63 7.431 -1.519 -16.358 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.632 -0.165 -15.675 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.240 -2.251 -15.756 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.148 0.910 -16.605 1.00 0.00 C ATOM 0 H ILE A 63 9.585 -0.925 -17.466 1.00 0.00 H new ATOM 0 HA ILE A 63 9.008 -2.415 -15.189 1.00 0.00 H new ATOM 0 HB ILE A 63 7.229 -1.345 -17.415 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.684 0.161 -15.246 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.331 -0.285 -14.848 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.347 -1.633 -15.850 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.087 -3.192 -16.284 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.432 -2.453 -14.702 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.267 1.842 -16.053 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.111 0.605 -17.014 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.438 1.058 -17.419 1.00 0.00 H new ATOM 1012 N ASN A 64 8.870 -4.102 -17.930 1.00 0.00 N ATOM 1013 CA ASN A 64 8.651 -5.420 -18.514 1.00 0.00 C ATOM 1014 C ASN A 64 8.843 -6.516 -17.471 1.00 0.00 C ATOM 1015 O ASN A 64 8.111 -7.506 -17.451 1.00 0.00 O ATOM 1016 CB ASN A 64 9.606 -5.646 -19.688 1.00 0.00 C ATOM 1017 CG ASN A 64 10.854 -4.789 -19.591 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.023 -3.832 -20.347 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.735 -5.130 -18.658 1.00 0.00 N ATOM 0 H ASN A 64 9.402 -3.462 -18.520 1.00 0.00 H new ATOM 0 HA ASN A 64 7.624 -5.463 -18.876 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.892 -6.697 -19.723 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.089 -5.425 -20.622 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.594 -4.591 -18.546 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.553 -5.931 -18.053 1.00 0.00 H new ATOM 1026 N THR A 65 9.834 -6.333 -16.603 1.00 0.00 N ATOM 1027 CA THR A 65 10.123 -7.305 -15.557 1.00 0.00 C ATOM 1028 C THR A 65 9.751 -6.761 -14.182 1.00 0.00 C ATOM 1029 O THR A 65 10.142 -5.653 -13.815 1.00 0.00 O ATOM 1030 CB THR A 65 11.612 -7.701 -15.554 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.404 -6.622 -15.045 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.079 -8.063 -16.955 1.00 0.00 C ATOM 0 H THR A 65 10.450 -5.520 -16.605 1.00 0.00 H new ATOM 0 HA THR A 65 9.520 -8.187 -15.771 1.00 0.00 H new ATOM 0 HB THR A 65 11.732 -8.574 -14.912 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.164 -6.463 -15.643 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.133 -8.339 -16.927 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.494 -8.903 -17.328 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.946 -7.206 -17.616 1.00 0.00 H new ATOM 1040 N VAL A 66 8.993 -7.548 -13.425 1.00 0.00 N ATOM 1041 CA VAL A 66 8.569 -7.146 -12.089 1.00 0.00 C ATOM 1042 C VAL A 66 9.740 -6.594 -11.284 1.00 0.00 C ATOM 1043 O VAL A 66 9.563 -5.728 -10.428 1.00 0.00 O ATOM 1044 CB VAL A 66 7.942 -8.324 -11.321 1.00 0.00 C ATOM 1045 CG1 VAL A 66 7.593 -7.910 -9.899 1.00 0.00 C ATOM 1046 CG2 VAL A 66 6.713 -8.843 -12.051 1.00 0.00 C ATOM 0 H VAL A 66 8.660 -8.468 -13.714 1.00 0.00 H new ATOM 0 HA VAL A 66 7.819 -6.365 -12.216 1.00 0.00 H new ATOM 0 HB VAL A 66 8.673 -9.131 -11.270 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.151 -8.756 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.497 -7.592 -9.380 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.880 -7.086 -9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.283 -9.675 -11.494 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.976 -8.044 -12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.998 -9.182 -13.047 1.00 0.00 H new ATOM 1056 N GLN A 67 10.936 -7.101 -11.566 1.00 0.00 N ATOM 1057 CA GLN A 67 12.137 -6.658 -10.867 1.00 0.00 C ATOM 1058 C GLN A 67 12.484 -5.220 -11.240 1.00 0.00 C ATOM 1059 O GLN A 67 12.514 -4.336 -10.384 1.00 0.00 O ATOM 1060 CB GLN A 67 13.312 -7.581 -11.194 1.00 0.00 C ATOM 1061 CG GLN A 67 14.100 -8.019 -9.970 1.00 0.00 C ATOM 1062 CD GLN A 67 15.365 -7.207 -9.769 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.472 -7.692 -10.003 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.206 -5.963 -9.332 1.00 0.00 N ATOM 0 H GLN A 67 11.099 -7.818 -12.273 1.00 0.00 H new ATOM 0 HA GLN A 67 11.940 -6.698 -9.796 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.936 -8.465 -11.710 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.983 -7.070 -11.884 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.470 -7.928 -9.085 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.361 -9.073 -10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.269 -5.602 -9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.020 -5.369 -9.177 1.00 0.00 H new ATOM 1073 N ASP A 68 12.747 -4.994 -12.522 1.00 0.00 N ATOM 1074 CA ASP A 68 13.092 -3.664 -13.009 1.00 0.00 C ATOM 1075 C ASP A 68 11.942 -2.687 -12.783 1.00 0.00 C ATOM 1076 O ASP A 68 12.160 -1.492 -12.586 1.00 0.00 O ATOM 1077 CB ASP A 68 13.447 -3.717 -14.496 1.00 0.00 C ATOM 1078 CG ASP A 68 14.866 -4.196 -14.735 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.751 -3.857 -13.922 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.091 -4.908 -15.737 1.00 0.00 O ATOM 0 H ASP A 68 12.728 -5.715 -13.243 1.00 0.00 H new ATOM 0 HA ASP A 68 13.959 -3.313 -12.449 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.751 -4.381 -15.009 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.323 -2.726 -14.932 1.00 0.00 H new ATOM 1085 N ALA A 69 10.719 -3.204 -12.814 1.00 0.00 N ATOM 1086 CA ALA A 69 9.535 -2.378 -12.611 1.00 0.00 C ATOM 1087 C ALA A 69 9.564 -1.702 -11.245 1.00 0.00 C ATOM 1088 O ALA A 69 9.653 -0.478 -11.150 1.00 0.00 O ATOM 1089 CB ALA A 69 8.274 -3.217 -12.760 1.00 0.00 C ATOM 0 H ALA A 69 10.522 -4.191 -12.978 1.00 0.00 H new ATOM 0 HA ALA A 69 9.532 -1.598 -13.373 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.398 -2.587 -12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.240 -3.648 -13.761 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.280 -4.018 -12.020 1.00 0.00 H new ATOM 1095 N ILE A 70 9.489 -2.507 -10.190 1.00 0.00 N ATOM 1096 CA ILE A 70 9.507 -1.985 -8.829 1.00 0.00 C ATOM 1097 C ILE A 70 10.790 -1.207 -8.556 1.00 0.00 C ATOM 1098 O ILE A 70 10.817 -0.310 -7.713 1.00 0.00 O ATOM 1099 CB ILE A 70 9.375 -3.115 -7.791 1.00 0.00 C ATOM 1100 CG1 ILE A 70 9.437 -2.544 -6.373 1.00 0.00 C ATOM 1101 CG2 ILE A 70 10.466 -4.154 -7.998 1.00 0.00 C ATOM 1102 CD1 ILE A 70 8.352 -3.073 -5.461 1.00 0.00 C ATOM 0 H ILE A 70 9.415 -3.522 -10.252 1.00 0.00 H new ATOM 0 HA ILE A 70 8.652 -1.316 -8.736 1.00 0.00 H new ATOM 0 HB ILE A 70 8.408 -3.601 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.410 -2.775 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.360 -1.458 -6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.359 -4.946 -7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.379 -4.579 -8.998 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.443 -3.683 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.457 -2.626 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.375 -2.819 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.441 -4.156 -5.380 1.00 0.00 H new ATOM 1114 N ASP A 71 11.851 -1.555 -9.275 1.00 0.00 N ATOM 1115 CA ASP A 71 13.138 -0.888 -9.113 1.00 0.00 C ATOM 1116 C ASP A 71 13.152 0.450 -9.845 1.00 0.00 C ATOM 1117 O ASP A 71 13.955 1.330 -9.536 1.00 0.00 O ATOM 1118 CB ASP A 71 14.267 -1.779 -9.631 1.00 0.00 C ATOM 1119 CG ASP A 71 15.620 -1.099 -9.560 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.084 -0.818 -8.435 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.215 -0.846 -10.629 1.00 0.00 O ATOM 0 H ASP A 71 11.846 -2.296 -9.976 1.00 0.00 H new ATOM 0 HA ASP A 71 13.292 -0.702 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.295 -2.700 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.059 -2.061 -10.663 1.00 0.00 H new ATOM 1126 N TYR A 72 12.259 0.596 -10.818 1.00 0.00 N ATOM 1127 CA TYR A 72 12.171 1.825 -11.597 1.00 0.00 C ATOM 1128 C TYR A 72 11.389 2.894 -10.841 1.00 0.00 C ATOM 1129 O TYR A 72 11.719 4.079 -10.900 1.00 0.00 O ATOM 1130 CB TYR A 72 11.507 1.551 -12.948 1.00 0.00 C ATOM 1131 CG TYR A 72 10.362 2.488 -13.261 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.598 3.812 -13.610 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.045 2.050 -13.207 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.556 4.672 -13.896 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.996 2.902 -13.493 1.00 0.00 C ATOM 1136 CZ TYR A 72 8.257 4.212 -13.837 1.00 0.00 C ATOM 1137 OH TYR A 72 7.215 5.065 -14.121 1.00 0.00 O ATOM 0 H TYR A 72 11.586 -0.122 -11.086 1.00 0.00 H new ATOM 0 HA TYR A 72 13.184 2.192 -11.765 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.257 1.632 -13.735 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.140 0.525 -12.961 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.614 4.175 -13.658 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.837 1.025 -12.937 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.757 5.699 -14.164 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.978 2.545 -13.448 1.00 0.00 H new ATOM 0 HH TYR A 72 7.004 5.017 -15.077 1.00 0.00 H new ATOM 1147 N ILE A 73 10.351 2.467 -10.130 1.00 0.00 N ATOM 1148 CA ILE A 73 9.522 3.386 -9.360 1.00 0.00 C ATOM 1149 C ILE A 73 10.190 3.754 -8.040 1.00 0.00 C ATOM 1150 O ILE A 73 9.991 4.850 -7.517 1.00 0.00 O ATOM 1151 CB ILE A 73 8.134 2.785 -9.071 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.244 1.670 -8.030 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.506 2.260 -10.354 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.004 2.141 -6.612 1.00 0.00 C ATOM 0 H ILE A 73 10.064 1.490 -10.071 1.00 0.00 H new ATOM 0 HA ILE A 73 9.400 4.284 -9.965 1.00 0.00 H new ATOM 0 HB ILE A 73 7.491 3.569 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.525 0.887 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.236 1.222 -8.093 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.525 1.838 -10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.397 3.077 -11.067 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.145 1.488 -10.782 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.098 1.298 -5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.739 2.903 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.002 2.562 -6.533 1.00 0.00 H new ATOM 1166 N GLU A 74 10.984 2.830 -7.507 1.00 0.00 N ATOM 1167 CA GLU A 74 11.681 3.059 -6.247 1.00 0.00 C ATOM 1168 C GLU A 74 12.924 3.917 -6.462 1.00 0.00 C ATOM 1169 O GLU A 74 13.267 4.755 -5.626 1.00 0.00 O ATOM 1170 CB GLU A 74 12.074 1.725 -5.607 1.00 0.00 C ATOM 1171 CG GLU A 74 10.890 0.934 -5.076 1.00 0.00 C ATOM 1172 CD GLU A 74 10.258 1.576 -3.857 1.00 0.00 C ATOM 1173 OE1 GLU A 74 10.825 2.565 -3.347 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.197 1.091 -3.413 1.00 0.00 O ATOM 0 H GLU A 74 11.160 1.918 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 74 11.004 3.590 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.604 1.120 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.770 1.914 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.140 0.839 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.216 -0.075 -4.823 1.00 0.00 H new ATOM 1181 N LYS A 75 13.597 3.703 -7.587 1.00 0.00 N ATOM 1182 CA LYS A 75 14.802 4.457 -7.914 1.00 0.00 C ATOM 1183 C LYS A 75 14.454 5.872 -8.364 1.00 0.00 C ATOM 1184 O LYS A 75 15.165 6.825 -8.051 1.00 0.00 O ATOM 1185 CB LYS A 75 15.593 3.741 -9.011 1.00 0.00 C ATOM 1186 CG LYS A 75 14.985 3.889 -10.395 1.00 0.00 C ATOM 1187 CD LYS A 75 15.626 2.938 -11.391 1.00 0.00 C ATOM 1188 CE LYS A 75 17.055 3.348 -11.714 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.228 3.665 -13.159 1.00 0.00 N ATOM 0 H LYS A 75 13.328 3.013 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 75 15.415 4.522 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.611 4.131 -9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.662 2.681 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.913 3.696 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.109 4.916 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.620 1.926 -10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.036 2.918 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.327 4.218 -11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.736 2.544 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.019 4.330 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.430 2.791 -13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.356 4.096 -13.527 1.00 0.00 H new ATOM 1203 N ASN A 76 13.354 6.000 -9.099 1.00 0.00 N ATOM 1204 CA ASN A 76 12.911 7.300 -9.591 1.00 0.00 C ATOM 1205 C ASN A 76 11.954 7.959 -8.601 1.00 0.00 C ATOM 1206 O ASN A 76 12.251 9.015 -8.046 1.00 0.00 O ATOM 1207 CB ASN A 76 12.229 7.148 -10.952 1.00 0.00 C ATOM 1208 CG ASN A 76 13.205 6.765 -12.048 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.977 5.812 -12.793 1.00 0.00 O ATOM 1210 ND2 ASN A 76 14.300 7.508 -12.151 1.00 0.00 N ATOM 0 H ASN A 76 12.753 5.220 -9.367 1.00 0.00 H new ATOM 0 HA ASN A 76 13.788 7.937 -9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.449 6.389 -10.882 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.739 8.085 -11.217 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.993 7.298 -12.869 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.448 8.289 -11.512 1.00 0.00 H new ATOM 1217 N ASN A 77 10.805 7.326 -8.387 1.00 0.00 N ATOM 1218 CA ASN A 77 9.805 7.851 -7.464 1.00 0.00 C ATOM 1219 C ASN A 77 10.148 7.485 -6.024 1.00 0.00 C ATOM 1220 O ASN A 77 9.632 6.510 -5.478 1.00 0.00 O ATOM 1221 CB ASN A 77 8.418 7.312 -7.822 1.00 0.00 C ATOM 1222 CG ASN A 77 8.244 7.112 -9.315 1.00 0.00 C ATOM 1223 OD1 ASN A 77 7.894 6.022 -9.770 1.00 0.00 O ATOM 1224 ND2 ASN A 77 8.487 8.166 -10.086 1.00 0.00 N ATOM 0 H ASN A 77 10.543 6.450 -8.839 1.00 0.00 H new ATOM 0 HA ASN A 77 9.800 8.937 -7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.256 6.364 -7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.658 8.004 -7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.386 8.092 -11.098 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.775 9.050 -9.666 1.00 0.00 H new