USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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: C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: C 69 SER OG : rot -62:sc= 1.79 USER MOD Set 2.2: C 71 THR OG1 : rot -35:sc= 0.387 USER MOD Set 3.1: C 13 THR OG1 : rot -89:sc= -1.36! USER MOD Set 3.2: C 16 GLN : amide:sc= -3.33! C(o=-4.7!,f=-12!) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.0732 K(o=-0.073,f=-1.8!) USER MOD Single : C 21 LYS NZ :NH3+ 163:sc= -0.0423 (180deg=-0.391) USER MOD Single : C 35 CYS SG : rot -106:sc= 0.204 USER MOD Single : C 37 SER OG : rot 180:sc= 0.0664 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.000697) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -131:sc= 0 (180deg=-0.0433) USER MOD Single : C 50 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.24) USER MOD Single : C 51 ASN : amide:sc= -3.41! C(o=-3.4!,f=-9.1!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.58 USER MOD Single : C 58 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.28) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl 158:sc= -0.0895 (180deg=-0.695) USER MOD Single : C 84 CYS SG : rot -140:sc= -0.616 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ -160:sc= -0.0461 (180deg=-0.503) USER MOD Single : I 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 23.276 0.604 6.822 1.00 0.00 N ATOM 107 CA ALA C 7 24.131 -0.570 6.770 1.00 0.00 C ATOM 108 C ALA C 7 25.598 -0.181 6.883 1.00 0.00 C ATOM 109 O ALA C 7 26.378 -0.876 7.528 1.00 0.00 O ATOM 110 CB ALA C 7 23.891 -1.331 5.466 1.00 0.00 C ATOM 0 HA ALA C 7 23.883 -1.213 7.614 1.00 0.00 H new ATOM 0 HB1 ALA C 7 24.535 -2.210 5.434 1.00 0.00 H new ATOM 0 HB2 ALA C 7 22.848 -1.643 5.414 1.00 0.00 H new ATOM 0 HB3 ALA C 7 24.118 -0.683 4.619 1.00 0.00 H new ATOM 116 N ALA C 8 25.978 0.929 6.256 1.00 0.00 N ATOM 117 CA ALA C 8 27.368 1.362 6.306 1.00 0.00 C ATOM 118 C ALA C 8 27.781 1.635 7.742 1.00 0.00 C ATOM 119 O ALA C 8 28.860 1.243 8.177 1.00 0.00 O ATOM 120 CB ALA C 8 27.551 2.633 5.480 1.00 0.00 C ATOM 0 H ALA C 8 25.356 1.533 5.718 1.00 0.00 H new ATOM 0 HA ALA C 8 27.992 0.568 5.895 1.00 0.00 H new ATOM 0 HB1 ALA C 8 28.593 2.948 5.524 1.00 0.00 H new ATOM 0 HB2 ALA C 8 27.275 2.437 4.444 1.00 0.00 H new ATOM 0 HB3 ALA C 8 26.916 3.423 5.882 1.00 0.00 H new ATOM 126 N VAL C 9 26.903 2.309 8.465 1.00 0.00 N ATOM 127 CA VAL C 9 27.158 2.642 9.855 1.00 0.00 C ATOM 128 C VAL C 9 27.262 1.382 10.719 1.00 0.00 C ATOM 129 O VAL C 9 28.204 1.225 11.495 1.00 0.00 O ATOM 130 CB VAL C 9 26.020 3.526 10.350 1.00 0.00 C ATOM 131 CG1 VAL C 9 26.121 3.709 11.866 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.113 4.894 9.671 1.00 0.00 C ATOM 0 H VAL C 9 26.005 2.637 8.111 1.00 0.00 H new ATOM 0 HA VAL C 9 28.110 3.168 9.931 1.00 0.00 H new ATOM 0 HB VAL C 9 25.068 3.054 10.108 1.00 0.00 H new ATOM 0 HG11 VAL C 9 25.304 4.342 12.211 1.00 0.00 H new ATOM 0 HG12 VAL C 9 26.058 2.737 12.355 1.00 0.00 H new ATOM 0 HG13 VAL C 9 27.073 4.179 12.113 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.301 5.530 10.022 1.00 0.00 H new ATOM 0 HG22 VAL C 9 27.069 5.357 9.916 1.00 0.00 H new ATOM 0 HG23 VAL C 9 26.036 4.770 8.591 1.00 0.00 H new ATOM 142 N GLU C 10 26.294 0.485 10.564 1.00 0.00 N ATOM 143 CA GLU C 10 26.281 -0.765 11.324 1.00 0.00 C ATOM 144 C GLU C 10 27.460 -1.645 10.933 1.00 0.00 C ATOM 145 O GLU C 10 27.998 -2.385 11.757 1.00 0.00 O ATOM 146 CB GLU C 10 24.965 -1.511 11.094 1.00 0.00 C ATOM 147 CG GLU C 10 23.819 -0.733 11.748 1.00 0.00 C ATOM 148 CD GLU C 10 23.937 -0.809 13.266 1.00 0.00 C ATOM 149 OE1 GLU C 10 24.679 -1.654 13.742 1.00 0.00 O ATOM 150 OE2 GLU C 10 23.287 -0.020 13.934 1.00 0.00 O1- ATOM 0 H GLU C 10 25.510 0.597 9.922 1.00 0.00 H new ATOM 0 HA GLU C 10 26.369 -0.524 12.383 1.00 0.00 H new ATOM 0 HB2 GLU C 10 24.780 -1.624 10.026 1.00 0.00 H new ATOM 0 HB3 GLU C 10 25.025 -2.515 11.515 1.00 0.00 H new ATOM 0 HG2 GLU C 10 23.844 0.308 11.425 1.00 0.00 H new ATOM 0 HG3 GLU C 10 22.861 -1.143 11.428 1.00 0.00 H new ATOM 157 N GLN C 11 27.849 -1.565 9.669 1.00 0.00 N ATOM 158 CA GLN C 11 28.960 -2.361 9.164 1.00 0.00 C ATOM 159 C GLN C 11 30.251 -2.013 9.902 1.00 0.00 C ATOM 160 O GLN C 11 31.154 -2.843 10.008 1.00 0.00 O ATOM 161 CB GLN C 11 29.139 -2.118 7.664 1.00 0.00 C ATOM 162 CG GLN C 11 30.203 -3.067 7.111 1.00 0.00 C ATOM 163 CD GLN C 11 30.270 -2.939 5.592 1.00 0.00 C ATOM 164 OE1 GLN C 11 29.237 -2.952 4.922 1.00 0.00 O ATOM 165 NE2 GLN C 11 31.428 -2.812 5.004 1.00 0.00 N ATOM 0 H GLN C 11 27.413 -0.958 8.975 1.00 0.00 H new ATOM 0 HA GLN C 11 28.735 -3.414 9.334 1.00 0.00 H new ATOM 0 HB2 GLN C 11 28.193 -2.275 7.145 1.00 0.00 H new ATOM 0 HB3 GLN C 11 29.433 -1.084 7.486 1.00 0.00 H new ATOM 0 HG2 GLN C 11 31.174 -2.834 7.548 1.00 0.00 H new ATOM 0 HG3 GLN C 11 29.967 -4.094 7.389 1.00 0.00 H new ATOM 0 HE21 GLN C 11 32.284 -2.801 5.559 1.00 0.00 H new ATOM 0 HE22 GLN C 11 31.478 -2.723 3.989 1.00 0.00 H new ATOM 174 N LEU C 12 30.340 -0.790 10.409 1.00 0.00 N ATOM 175 CA LEU C 12 31.533 -0.368 11.125 1.00 0.00 C ATOM 176 C LEU C 12 31.854 -1.354 12.242 1.00 0.00 C ATOM 177 O LEU C 12 30.967 -1.785 12.980 1.00 0.00 O ATOM 178 CB LEU C 12 31.310 1.018 11.733 1.00 0.00 C ATOM 179 CG LEU C 12 31.027 2.031 10.622 1.00 0.00 C ATOM 180 CD1 LEU C 12 30.696 3.386 11.242 1.00 0.00 C ATOM 181 CD2 LEU C 12 32.255 2.171 9.717 1.00 0.00 C ATOM 0 H LEU C 12 29.609 -0.082 10.338 1.00 0.00 H new ATOM 0 HA LEU C 12 32.366 -0.334 10.422 1.00 0.00 H new ATOM 0 HB2 LEU C 12 30.474 0.988 12.432 1.00 0.00 H new ATOM 0 HB3 LEU C 12 32.190 1.322 12.300 1.00 0.00 H new ATOM 0 HG LEU C 12 30.182 1.683 10.028 1.00 0.00 H new ATOM 0 HD11 LEU C 12 30.494 4.108 10.451 1.00 0.00 H new ATOM 0 HD12 LEU C 12 29.816 3.290 11.879 1.00 0.00 H new ATOM 0 HD13 LEU C 12 31.541 3.729 11.840 1.00 0.00 H new ATOM 0 HD21 LEU C 12 32.045 2.894 8.929 1.00 0.00 H new ATOM 0 HD22 LEU C 12 33.105 2.514 10.307 1.00 0.00 H new ATOM 0 HD23 LEU C 12 32.490 1.205 9.270 1.00 0.00 H new ATOM 193 N THR C 13 33.127 -1.704 12.358 1.00 0.00 N ATOM 194 CA THR C 13 33.565 -2.634 13.385 1.00 0.00 C ATOM 195 C THR C 13 33.668 -1.935 14.727 1.00 0.00 C ATOM 196 O THR C 13 33.566 -0.711 14.818 1.00 0.00 O ATOM 197 CB THR C 13 34.919 -3.241 13.025 1.00 0.00 C ATOM 198 OG1 THR C 13 35.901 -2.221 12.994 1.00 0.00 O ATOM 199 CG2 THR C 13 34.832 -3.910 11.658 1.00 0.00 C ATOM 0 H THR C 13 33.872 -1.358 11.754 1.00 0.00 H new ATOM 0 HA THR C 13 32.825 -3.431 13.450 1.00 0.00 H new ATOM 0 HB THR C 13 35.193 -3.985 13.773 1.00 0.00 H new ATOM 0 HG1 THR C 13 35.940 -1.831 12.096 1.00 0.00 H new ATOM 0 HG21 THR C 13 35.799 -4.343 11.402 1.00 0.00 H new ATOM 0 HG22 THR C 13 34.078 -4.697 11.685 1.00 0.00 H new ATOM 0 HG23 THR C 13 34.556 -3.169 10.907 1.00 0.00 H new ATOM 207 N GLU C 14 33.876 -2.723 15.767 1.00 0.00 N ATOM 208 CA GLU C 14 33.996 -2.179 17.108 1.00 0.00 C ATOM 209 C GLU C 14 35.171 -1.218 17.167 1.00 0.00 C ATOM 210 O GLU C 14 35.105 -0.172 17.812 1.00 0.00 O ATOM 211 CB GLU C 14 34.212 -3.317 18.111 1.00 0.00 C ATOM 212 CG GLU C 14 32.932 -4.153 18.239 1.00 0.00 C ATOM 213 CD GLU C 14 32.787 -5.092 17.042 1.00 0.00 C ATOM 214 OE1 GLU C 14 33.738 -5.213 16.287 1.00 0.00 O ATOM 215 OE2 GLU C 14 31.724 -5.671 16.896 1.00 0.00 O1- ATOM 0 H GLU C 14 33.965 -3.737 15.710 1.00 0.00 H new ATOM 0 HA GLU C 14 33.080 -1.645 17.361 1.00 0.00 H new ATOM 0 HB2 GLU C 14 35.038 -3.949 17.784 1.00 0.00 H new ATOM 0 HB3 GLU C 14 34.488 -2.909 19.083 1.00 0.00 H new ATOM 0 HG2 GLU C 14 32.959 -4.732 19.162 1.00 0.00 H new ATOM 0 HG3 GLU C 14 32.065 -3.495 18.300 1.00 0.00 H new ATOM 222 N GLU C 15 36.239 -1.580 16.485 1.00 0.00 N ATOM 223 CA GLU C 15 37.430 -0.747 16.454 1.00 0.00 C ATOM 224 C GLU C 15 37.141 0.579 15.754 1.00 0.00 C ATOM 225 O GLU C 15 37.543 1.641 16.230 1.00 0.00 O ATOM 226 CB GLU C 15 38.561 -1.488 15.738 1.00 0.00 C ATOM 227 CG GLU C 15 39.826 -0.633 15.766 1.00 0.00 C ATOM 228 CD GLU C 15 40.988 -1.383 15.124 1.00 0.00 C ATOM 229 OE1 GLU C 15 40.774 -2.497 14.675 1.00 0.00 O ATOM 230 OE2 GLU C 15 42.076 -0.833 15.091 1.00 0.00 O1- ATOM 0 H GLU C 15 36.309 -2.443 15.945 1.00 0.00 H new ATOM 0 HA GLU C 15 37.735 -0.533 17.478 1.00 0.00 H new ATOM 0 HB2 GLU C 15 38.746 -2.447 16.222 1.00 0.00 H new ATOM 0 HB3 GLU C 15 38.276 -1.701 14.708 1.00 0.00 H new ATOM 0 HG2 GLU C 15 39.652 0.303 15.236 1.00 0.00 H new ATOM 0 HG3 GLU C 15 40.076 -0.375 16.795 1.00 0.00 H new ATOM 237 N GLN C 16 36.433 0.520 14.630 1.00 0.00 N ATOM 238 CA GLN C 16 36.100 1.737 13.901 1.00 0.00 C ATOM 239 C GLN C 16 35.252 2.655 14.771 1.00 0.00 C ATOM 240 O GLN C 16 35.482 3.863 14.819 1.00 0.00 O ATOM 241 CB GLN C 16 35.348 1.396 12.614 1.00 0.00 C ATOM 242 CG GLN C 16 36.327 1.395 11.436 1.00 0.00 C ATOM 243 CD GLN C 16 37.482 0.436 11.707 1.00 0.00 C ATOM 244 OE1 GLN C 16 37.366 -0.454 12.548 1.00 0.00 O ATOM 245 NE2 GLN C 16 38.595 0.561 11.038 1.00 0.00 N ATOM 0 H GLN C 16 36.084 -0.342 14.211 1.00 0.00 H new ATOM 0 HA GLN C 16 37.026 2.251 13.641 1.00 0.00 H new ATOM 0 HB2 GLN C 16 34.872 0.420 12.706 1.00 0.00 H new ATOM 0 HB3 GLN C 16 34.554 2.123 12.440 1.00 0.00 H new ATOM 0 HG2 GLN C 16 35.808 1.101 10.524 1.00 0.00 H new ATOM 0 HG3 GLN C 16 36.712 2.402 11.274 1.00 0.00 H new ATOM 0 HE21 GLN C 16 38.691 1.299 10.341 1.00 0.00 H new ATOM 0 HE22 GLN C 16 39.369 -0.080 11.212 1.00 0.00 H new ATOM 254 N LYS C 17 34.285 2.072 15.472 1.00 0.00 N ATOM 255 CA LYS C 17 33.420 2.846 16.351 1.00 0.00 C ATOM 256 C LYS C 17 34.231 3.501 17.446 1.00 0.00 C ATOM 257 O LYS C 17 33.997 4.658 17.795 1.00 0.00 O ATOM 258 CB LYS C 17 32.357 1.932 16.966 1.00 0.00 C ATOM 259 CG LYS C 17 31.331 1.538 15.896 1.00 0.00 C ATOM 260 CD LYS C 17 30.168 2.537 15.906 1.00 0.00 C ATOM 261 CE LYS C 17 29.140 2.146 14.843 1.00 0.00 C ATOM 262 NZ LYS C 17 27.778 2.550 15.298 1.00 0.00 N1+ ATOM 0 H LYS C 17 34.082 1.073 15.448 1.00 0.00 H new ATOM 0 HA LYS C 17 32.931 3.625 15.766 1.00 0.00 H new ATOM 0 HB2 LYS C 17 32.826 1.039 17.379 1.00 0.00 H new ATOM 0 HB3 LYS C 17 31.859 2.441 17.791 1.00 0.00 H new ATOM 0 HG2 LYS C 17 31.803 1.523 14.913 1.00 0.00 H new ATOM 0 HG3 LYS C 17 30.960 0.531 16.087 1.00 0.00 H new ATOM 0 HD2 LYS C 17 29.699 2.553 16.890 1.00 0.00 H new ATOM 0 HD3 LYS C 17 30.539 3.543 15.713 1.00 0.00 H new ATOM 0 HE2 LYS C 17 29.378 2.631 13.896 1.00 0.00 H new ATOM 0 HE3 LYS C 17 29.173 1.071 14.668 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 27.078 2.285 14.576 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 27.553 2.068 16.192 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 27.752 3.579 15.444 1.00 0.00 H new ATOM 276 N ASN C 18 35.187 2.768 17.987 1.00 0.00 N ATOM 277 CA ASN C 18 36.013 3.316 19.037 1.00 0.00 C ATOM 278 C ASN C 18 36.852 4.480 18.510 1.00 0.00 C ATOM 279 O ASN C 18 37.040 5.482 19.199 1.00 0.00 O ATOM 280 CB ASN C 18 36.919 2.227 19.612 1.00 0.00 C ATOM 281 CG ASN C 18 36.091 1.231 20.415 1.00 0.00 C ATOM 282 OD1 ASN C 18 35.010 1.566 20.900 1.00 0.00 O ATOM 283 ND2 ASN C 18 36.530 0.011 20.569 1.00 0.00 N ATOM 0 H ASN C 18 35.405 1.808 17.720 1.00 0.00 H new ATOM 0 HA ASN C 18 35.365 3.692 19.829 1.00 0.00 H new ATOM 0 HB2 ASN C 18 37.440 1.712 18.805 1.00 0.00 H new ATOM 0 HB3 ASN C 18 37.682 2.675 20.249 1.00 0.00 H new ATOM 0 HD21 ASN C 18 35.977 -0.668 21.092 1.00 0.00 H new ATOM 0 HD22 ASN C 18 37.426 -0.263 20.166 1.00 0.00 H new ATOM 290 N GLU C 19 37.359 4.337 17.285 1.00 0.00 N ATOM 291 CA GLU C 19 38.182 5.382 16.682 1.00 0.00 C ATOM 292 C GLU C 19 37.383 6.671 16.478 1.00 0.00 C ATOM 293 O GLU C 19 37.870 7.767 16.771 1.00 0.00 O ATOM 294 CB GLU C 19 38.716 4.895 15.333 1.00 0.00 C ATOM 295 CG GLU C 19 39.776 3.814 15.561 1.00 0.00 C ATOM 296 CD GLU C 19 41.067 4.443 16.077 1.00 0.00 C ATOM 297 OE1 GLU C 19 41.889 4.819 15.257 1.00 0.00 O1- ATOM 298 OE2 GLU C 19 41.216 4.535 17.284 1.00 0.00 O ATOM 0 H GLU C 19 37.216 3.516 16.697 1.00 0.00 H new ATOM 0 HA GLU C 19 39.010 5.597 17.358 1.00 0.00 H new ATOM 0 HB2 GLU C 19 37.900 4.497 14.730 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.146 5.729 14.778 1.00 0.00 H new ATOM 0 HG2 GLU C 19 39.409 3.080 16.278 1.00 0.00 H new ATOM 0 HG3 GLU C 19 39.969 3.281 14.630 1.00 0.00 H new ATOM 305 N PHE C 20 36.152 6.539 15.982 1.00 0.00 N ATOM 306 CA PHE C 20 35.308 7.714 15.756 1.00 0.00 C ATOM 307 C PHE C 20 34.917 8.348 17.085 1.00 0.00 C ATOM 308 O PHE C 20 34.913 9.569 17.231 1.00 0.00 O ATOM 309 CB PHE C 20 34.047 7.325 14.980 1.00 0.00 C ATOM 310 CG PHE C 20 34.385 7.154 13.518 1.00 0.00 C ATOM 311 CD1 PHE C 20 34.799 8.259 12.762 1.00 0.00 C ATOM 312 CD2 PHE C 20 34.295 5.892 12.918 1.00 0.00 C ATOM 313 CE1 PHE C 20 35.121 8.100 11.410 1.00 0.00 C ATOM 314 CE2 PHE C 20 34.619 5.735 11.566 1.00 0.00 C ATOM 315 CZ PHE C 20 35.032 6.839 10.812 1.00 0.00 C ATOM 0 H PHE C 20 35.723 5.648 15.733 1.00 0.00 H new ATOM 0 HA PHE C 20 35.876 8.436 15.170 1.00 0.00 H new ATOM 0 HB2 PHE C 20 33.633 6.399 15.379 1.00 0.00 H new ATOM 0 HB3 PHE C 20 33.283 8.093 15.100 1.00 0.00 H new ATOM 0 HD1 PHE C 20 34.869 9.233 13.223 1.00 0.00 H new ATOM 0 HD2 PHE C 20 33.975 5.040 13.499 1.00 0.00 H new ATOM 0 HE1 PHE C 20 35.439 8.952 10.827 1.00 0.00 H new ATOM 0 HE2 PHE C 20 34.550 4.761 11.104 1.00 0.00 H new ATOM 0 HZ PHE C 20 35.282 6.717 9.768 1.00 0.00 H new ATOM 325 N LYS C 21 34.599 7.504 18.054 1.00 0.00 N ATOM 326 CA LYS C 21 34.220 7.978 19.374 1.00 0.00 C ATOM 327 C LYS C 21 35.356 8.777 20.004 1.00 0.00 C ATOM 328 O LYS C 21 35.120 9.819 20.617 1.00 0.00 O ATOM 329 CB LYS C 21 33.828 6.797 20.267 1.00 0.00 C ATOM 330 CG LYS C 21 33.513 7.303 21.676 1.00 0.00 C ATOM 331 CD LYS C 21 32.869 6.184 22.498 1.00 0.00 C ATOM 332 CE LYS C 21 32.846 6.581 23.975 1.00 0.00 C ATOM 333 NZ LYS C 21 32.234 7.934 24.119 1.00 0.00 N1+ ATOM 0 H LYS C 21 34.596 6.489 17.951 1.00 0.00 H new ATOM 0 HA LYS C 21 33.358 8.637 19.273 1.00 0.00 H new ATOM 0 HB2 LYS C 21 32.960 6.285 19.851 1.00 0.00 H new ATOM 0 HB3 LYS C 21 34.639 6.070 20.303 1.00 0.00 H new ATOM 0 HG2 LYS C 21 34.427 7.644 22.162 1.00 0.00 H new ATOM 0 HG3 LYS C 21 32.842 8.160 21.623 1.00 0.00 H new ATOM 0 HD2 LYS C 21 31.855 5.997 22.145 1.00 0.00 H new ATOM 0 HD3 LYS C 21 33.427 5.257 22.369 1.00 0.00 H new ATOM 0 HE2 LYS C 21 32.277 5.850 24.550 1.00 0.00 H new ATOM 0 HE3 LYS C 21 33.859 6.584 24.377 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 31.955 8.085 25.109 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 32.925 8.659 23.840 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 31.395 8.002 23.508 1.00 0.00 H new ATOM 347 N ALA C 22 36.591 8.302 19.851 1.00 0.00 N ATOM 348 CA ALA C 22 37.726 9.020 20.416 1.00 0.00 C ATOM 349 C ALA C 22 37.811 10.414 19.814 1.00 0.00 C ATOM 350 O ALA C 22 38.010 11.384 20.529 1.00 0.00 O ATOM 351 CB ALA C 22 39.028 8.277 20.132 1.00 0.00 C ATOM 0 H ALA C 22 36.826 7.444 19.353 1.00 0.00 H new ATOM 0 HA ALA C 22 37.581 9.090 21.494 1.00 0.00 H new ATOM 0 HB1 ALA C 22 39.863 8.829 20.562 1.00 0.00 H new ATOM 0 HB2 ALA C 22 38.984 7.282 20.576 1.00 0.00 H new ATOM 0 HB3 ALA C 22 39.168 8.188 19.055 1.00 0.00 H new ATOM 357 N ALA C 23 37.642 10.503 18.496 1.00 0.00 N ATOM 358 CA ALA C 23 37.684 11.792 17.803 1.00 0.00 C ATOM 359 C ALA C 23 36.549 12.687 18.277 1.00 0.00 C ATOM 360 O ALA C 23 36.714 13.897 18.423 1.00 0.00 O ATOM 361 CB ALA C 23 37.583 11.577 16.293 1.00 0.00 C ATOM 0 H ALA C 23 37.475 9.702 17.887 1.00 0.00 H new ATOM 0 HA ALA C 23 38.632 12.280 18.032 1.00 0.00 H new ATOM 0 HB1 ALA C 23 37.615 12.541 15.785 1.00 0.00 H new ATOM 0 HB2 ALA C 23 38.417 10.962 15.956 1.00 0.00 H new ATOM 0 HB3 ALA C 23 36.644 11.075 16.059 1.00 0.00 H new ATOM 367 N PHE C 24 35.395 12.079 18.506 1.00 0.00 N ATOM 368 CA PHE C 24 34.229 12.822 18.958 1.00 0.00 C ATOM 369 C PHE C 24 34.514 13.496 20.301 1.00 0.00 C ATOM 370 O PHE C 24 34.019 14.590 20.573 1.00 0.00 O ATOM 371 CB PHE C 24 33.020 11.893 19.090 1.00 0.00 C ATOM 372 CG PHE C 24 31.774 12.723 19.290 1.00 0.00 C ATOM 373 CD1 PHE C 24 31.292 13.513 18.242 1.00 0.00 C ATOM 374 CD2 PHE C 24 31.099 12.701 20.518 1.00 0.00 C ATOM 375 CE1 PHE C 24 30.137 14.283 18.417 1.00 0.00 C ATOM 376 CE2 PHE C 24 29.943 13.472 20.693 1.00 0.00 C ATOM 377 CZ PHE C 24 29.463 14.264 19.641 1.00 0.00 C ATOM 0 H PHE C 24 35.241 11.078 18.387 1.00 0.00 H new ATOM 0 HA PHE C 24 34.005 13.589 18.217 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.921 11.277 18.197 1.00 0.00 H new ATOM 0 HB3 PHE C 24 33.158 11.214 19.932 1.00 0.00 H new ATOM 0 HD1 PHE C 24 31.812 13.529 17.296 1.00 0.00 H new ATOM 0 HD2 PHE C 24 31.470 12.090 21.328 1.00 0.00 H new ATOM 0 HE1 PHE C 24 29.766 14.892 17.606 1.00 0.00 H new ATOM 0 HE2 PHE C 24 29.421 13.456 21.639 1.00 0.00 H new ATOM 0 HZ PHE C 24 28.572 14.860 19.776 1.00 0.00 H new ATOM 387 N ASP C 25 35.299 12.826 21.147 1.00 0.00 N ATOM 388 CA ASP C 25 35.626 13.361 22.470 1.00 0.00 C ATOM 389 C ASP C 25 36.339 14.710 22.359 1.00 0.00 C ATOM 390 O ASP C 25 36.113 15.596 23.175 1.00 0.00 O ATOM 391 CB ASP C 25 36.507 12.376 23.246 1.00 0.00 C ATOM 392 CG ASP C 25 35.689 11.157 23.665 1.00 0.00 C ATOM 393 OD1 ASP C 25 34.474 11.230 23.589 1.00 0.00 O ATOM 394 OD2 ASP C 25 36.291 10.170 24.054 1.00 0.00 O1- ATOM 0 H ASP C 25 35.717 11.919 20.942 1.00 0.00 H new ATOM 0 HA ASP C 25 34.689 13.506 23.008 1.00 0.00 H new ATOM 0 HB2 ASP C 25 37.348 12.064 22.627 1.00 0.00 H new ATOM 0 HB3 ASP C 25 36.923 12.865 24.127 1.00 0.00 H new ATOM 399 N ILE C 26 37.210 14.865 21.365 1.00 0.00 N ATOM 400 CA ILE C 26 37.924 16.121 21.192 1.00 0.00 C ATOM 401 C ILE C 26 37.059 17.129 20.452 1.00 0.00 C ATOM 402 O ILE C 26 37.049 18.307 20.787 1.00 0.00 O ATOM 403 CB ILE C 26 39.229 15.897 20.425 1.00 0.00 C ATOM 404 CG1 ILE C 26 40.083 14.848 21.151 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.997 17.211 20.348 1.00 0.00 C ATOM 406 CD1 ILE C 26 39.911 13.476 20.489 1.00 0.00 C ATOM 0 H ILE C 26 37.434 14.146 20.677 1.00 0.00 H new ATOM 0 HA ILE C 26 38.159 16.515 22.181 1.00 0.00 H new ATOM 0 HB ILE C 26 39.003 15.543 19.419 1.00 0.00 H new ATOM 0 HG12 ILE C 26 41.132 15.143 21.127 1.00 0.00 H new ATOM 0 HG13 ILE C 26 39.791 14.793 22.200 1.00 0.00 H new ATOM 0 HG21 ILE C 26 40.928 17.057 19.802 1.00 0.00 H new ATOM 0 HG22 ILE C 26 39.392 17.956 19.831 1.00 0.00 H new ATOM 0 HG23 ILE C 26 40.221 17.561 21.356 1.00 0.00 H new ATOM 0 HD11 ILE C 26 40.521 12.740 21.013 1.00 0.00 H new ATOM 0 HD12 ILE C 26 38.864 13.178 20.536 1.00 0.00 H new ATOM 0 HD13 ILE C 26 40.225 13.533 19.447 1.00 0.00 H new ATOM 418 N PHE C 27 36.335 16.669 19.442 1.00 0.00 N ATOM 419 CA PHE C 27 35.483 17.575 18.671 1.00 0.00 C ATOM 420 C PHE C 27 34.515 18.338 19.578 1.00 0.00 C ATOM 421 O PHE C 27 34.247 19.518 19.349 1.00 0.00 O ATOM 422 CB PHE C 27 34.693 16.797 17.622 1.00 0.00 C ATOM 423 CG PHE C 27 35.311 17.000 16.258 1.00 0.00 C ATOM 424 CD1 PHE C 27 36.668 16.724 16.056 1.00 0.00 C ATOM 425 CD2 PHE C 27 34.524 17.463 15.195 1.00 0.00 C ATOM 426 CE1 PHE C 27 37.237 16.910 14.789 1.00 0.00 C ATOM 427 CE2 PHE C 27 35.094 17.649 13.930 1.00 0.00 C ATOM 428 CZ PHE C 27 36.450 17.372 13.728 1.00 0.00 C ATOM 0 H PHE C 27 36.316 15.695 19.138 1.00 0.00 H new ATOM 0 HA PHE C 27 36.133 18.297 18.176 1.00 0.00 H new ATOM 0 HB2 PHE C 27 34.685 15.736 17.873 1.00 0.00 H new ATOM 0 HB3 PHE C 27 33.655 17.131 17.614 1.00 0.00 H new ATOM 0 HD1 PHE C 27 37.276 16.368 16.875 1.00 0.00 H new ATOM 0 HD2 PHE C 27 33.477 17.676 15.352 1.00 0.00 H new ATOM 0 HE1 PHE C 27 38.284 16.697 14.631 1.00 0.00 H new ATOM 0 HE2 PHE C 27 34.487 18.006 13.111 1.00 0.00 H new ATOM 0 HZ PHE C 27 36.890 17.515 12.752 1.00 0.00 H new ATOM 438 N VAL C 28 33.992 17.669 20.602 1.00 0.00 N ATOM 439 CA VAL C 28 33.060 18.317 21.525 1.00 0.00 C ATOM 440 C VAL C 28 33.808 19.252 22.462 1.00 0.00 C ATOM 441 O VAL C 28 33.312 19.591 23.532 1.00 0.00 O ATOM 442 CB VAL C 28 32.272 17.275 22.327 1.00 0.00 C ATOM 443 CG1 VAL C 28 31.491 16.376 21.369 1.00 0.00 C ATOM 444 CG2 VAL C 28 33.232 16.423 23.150 1.00 0.00 C ATOM 0 H VAL C 28 34.193 16.692 20.814 1.00 0.00 H new ATOM 0 HA VAL C 28 32.351 18.902 20.939 1.00 0.00 H new ATOM 0 HB VAL C 28 31.579 17.787 22.995 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.931 15.635 21.940 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.799 16.982 20.784 1.00 0.00 H new ATOM 0 HG13 VAL C 28 32.185 15.869 20.699 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.667 15.684 23.718 1.00 0.00 H new ATOM 0 HG22 VAL C 28 33.929 15.914 22.484 1.00 0.00 H new ATOM 0 HG23 VAL C 28 33.788 17.061 23.837 1.00 0.00 H new ATOM 454 N LEU C 29 35.006 19.663 22.049 1.00 0.00 N ATOM 455 CA LEU C 29 35.805 20.569 22.853 1.00 0.00 C ATOM 456 C LEU C 29 34.938 21.718 23.348 1.00 0.00 C ATOM 457 O LEU C 29 34.547 22.600 22.586 1.00 0.00 O ATOM 458 CB LEU C 29 36.980 21.116 22.037 1.00 0.00 C ATOM 459 CG LEU C 29 36.458 21.778 20.757 1.00 0.00 C ATOM 460 CD1 LEU C 29 36.714 23.286 20.807 1.00 0.00 C ATOM 461 CD2 LEU C 29 37.181 21.189 19.548 1.00 0.00 C ATOM 0 H LEU C 29 35.437 19.382 21.168 1.00 0.00 H new ATOM 0 HA LEU C 29 36.201 20.022 23.708 1.00 0.00 H new ATOM 0 HB2 LEU C 29 37.541 21.839 22.629 1.00 0.00 H new ATOM 0 HB3 LEU C 29 37.668 20.308 21.786 1.00 0.00 H new ATOM 0 HG LEU C 29 35.387 21.595 20.674 1.00 0.00 H new ATOM 0 HD11 LEU C 29 36.340 23.749 19.894 1.00 0.00 H new ATOM 0 HD12 LEU C 29 36.200 23.714 21.668 1.00 0.00 H new ATOM 0 HD13 LEU C 29 37.785 23.471 20.895 1.00 0.00 H new ATOM 0 HD21 LEU C 29 36.810 21.660 18.637 1.00 0.00 H new ATOM 0 HD22 LEU C 29 38.252 21.371 19.640 1.00 0.00 H new ATOM 0 HD23 LEU C 29 36.998 20.115 19.502 1.00 0.00 H new ATOM 473 N GLY C 30 34.637 21.694 24.631 1.00 0.00 N ATOM 474 CA GLY C 30 33.817 22.735 25.232 1.00 0.00 C ATOM 475 C GLY C 30 32.364 22.300 25.380 1.00 0.00 C ATOM 476 O GLY C 30 31.632 22.855 26.200 1.00 0.00 O ATOM 0 H GLY C 30 34.945 20.969 25.279 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.220 22.994 26.211 1.00 0.00 H new ATOM 0 HA3 GLY C 30 33.866 23.635 24.619 1.00 0.00 H new ATOM 480 N ALA C 31 31.943 21.302 24.606 1.00 0.00 N ATOM 481 CA ALA C 31 30.576 20.826 24.707 1.00 0.00 C ATOM 482 C ALA C 31 30.479 19.759 25.787 1.00 0.00 C ATOM 483 O ALA C 31 30.680 18.573 25.529 1.00 0.00 O ATOM 484 CB ALA C 31 30.113 20.259 23.367 1.00 0.00 C ATOM 0 H ALA C 31 32.519 20.819 23.917 1.00 0.00 H new ATOM 0 HA ALA C 31 29.930 21.662 24.974 1.00 0.00 H new ATOM 0 HB1 ALA C 31 29.086 19.905 23.457 1.00 0.00 H new ATOM 0 HB2 ALA C 31 30.164 21.037 22.606 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.759 19.429 23.081 1.00 0.00 H new ATOM 490 N GLU C 32 30.170 20.195 26.998 1.00 0.00 N ATOM 491 CA GLU C 32 30.042 19.287 28.129 1.00 0.00 C ATOM 492 C GLU C 32 28.921 18.293 27.879 1.00 0.00 C ATOM 493 O GLU C 32 28.988 17.134 28.290 1.00 0.00 O ATOM 494 CB GLU C 32 29.764 20.082 29.408 1.00 0.00 C ATOM 495 CG GLU C 32 31.013 20.875 29.818 1.00 0.00 C ATOM 496 CD GLU C 32 31.155 22.133 28.964 1.00 0.00 C ATOM 497 OE1 GLU C 32 30.233 22.435 28.224 1.00 0.00 O ATOM 498 OE2 GLU C 32 32.189 22.775 29.060 1.00 0.00 O1- ATOM 0 H GLU C 32 30.003 21.175 27.224 1.00 0.00 H new ATOM 0 HA GLU C 32 30.976 18.738 28.248 1.00 0.00 H new ATOM 0 HB2 GLU C 32 28.928 20.763 29.248 1.00 0.00 H new ATOM 0 HB3 GLU C 32 29.474 19.404 30.211 1.00 0.00 H new ATOM 0 HG2 GLU C 32 30.947 21.149 30.871 1.00 0.00 H new ATOM 0 HG3 GLU C 32 31.900 20.251 29.706 1.00 0.00 H new ATOM 505 N ASP C 33 27.892 18.764 27.205 1.00 0.00 N ATOM 506 CA ASP C 33 26.741 17.928 26.892 1.00 0.00 C ATOM 507 C ASP C 33 27.132 16.831 25.905 1.00 0.00 C ATOM 508 O ASP C 33 26.423 15.836 25.758 1.00 0.00 O ATOM 509 CB ASP C 33 25.627 18.787 26.291 1.00 0.00 C ATOM 510 CG ASP C 33 25.065 19.728 27.350 1.00 0.00 C ATOM 511 OD1 ASP C 33 24.142 19.328 28.041 1.00 0.00 O1- ATOM 512 OD2 ASP C 33 25.566 20.836 27.455 1.00 0.00 O ATOM 0 H ASP C 33 27.825 19.722 26.861 1.00 0.00 H new ATOM 0 HA ASP C 33 26.386 17.463 27.812 1.00 0.00 H new ATOM 0 HB2 ASP C 33 26.014 19.362 25.450 1.00 0.00 H new ATOM 0 HB3 ASP C 33 24.834 18.148 25.902 1.00 0.00 H new ATOM 517 N GLY C 34 28.265 17.017 25.233 1.00 0.00 N ATOM 518 CA GLY C 34 28.732 16.033 24.268 1.00 0.00 C ATOM 519 C GLY C 34 28.090 16.262 22.909 1.00 0.00 C ATOM 520 O GLY C 34 28.147 15.400 22.031 1.00 0.00 O ATOM 0 H GLY C 34 28.869 17.832 25.339 1.00 0.00 H new ATOM 0 HA2 GLY C 34 29.817 16.092 24.177 1.00 0.00 H new ATOM 0 HA3 GLY C 34 28.496 15.029 24.622 1.00 0.00 H new ATOM 524 N CYS C 35 27.477 17.431 22.748 1.00 0.00 N ATOM 525 CA CYS C 35 26.819 17.776 21.491 1.00 0.00 C ATOM 526 C CYS C 35 27.478 18.995 20.855 1.00 0.00 C ATOM 527 O CYS C 35 27.893 19.922 21.549 1.00 0.00 O ATOM 528 CB CYS C 35 25.341 18.077 21.742 1.00 0.00 C ATOM 529 SG CYS C 35 24.529 16.604 22.409 1.00 0.00 S ATOM 0 H CYS C 35 27.422 18.152 23.467 1.00 0.00 H new ATOM 0 HA CYS C 35 26.912 16.928 20.813 1.00 0.00 H new ATOM 0 HB2 CYS C 35 25.242 18.908 22.441 1.00 0.00 H new ATOM 0 HB3 CYS C 35 24.858 18.382 20.814 1.00 0.00 H new ATOM 0 HG CYS C 35 23.785 16.064 21.489 1.00 0.00 H new ATOM 535 N ILE C 36 27.563 18.987 19.530 1.00 0.00 N ATOM 536 CA ILE C 36 28.169 20.098 18.802 1.00 0.00 C ATOM 537 C ILE C 36 27.102 21.002 18.206 1.00 0.00 C ATOM 538 O ILE C 36 26.176 20.542 17.540 1.00 0.00 O ATOM 539 CB ILE C 36 29.077 19.573 17.692 1.00 0.00 C ATOM 540 CG1 ILE C 36 30.302 18.894 18.318 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.515 20.728 16.788 1.00 0.00 C ATOM 542 CD1 ILE C 36 31.102 18.138 17.248 1.00 0.00 C ATOM 0 H ILE C 36 27.222 18.228 18.939 1.00 0.00 H new ATOM 0 HA ILE C 36 28.763 20.678 19.508 1.00 0.00 H new ATOM 0 HB ILE C 36 28.534 18.846 17.088 1.00 0.00 H new ATOM 0 HG12 ILE C 36 30.936 19.642 18.794 1.00 0.00 H new ATOM 0 HG13 ILE C 36 29.983 18.203 19.098 1.00 0.00 H new ATOM 0 HG21 ILE C 36 30.162 20.347 15.998 1.00 0.00 H new ATOM 0 HG22 ILE C 36 28.636 21.195 16.343 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.058 21.466 17.378 1.00 0.00 H new ATOM 0 HD11 ILE C 36 31.967 17.662 17.709 1.00 0.00 H new ATOM 0 HD12 ILE C 36 30.470 17.376 16.791 1.00 0.00 H new ATOM 0 HD13 ILE C 36 31.438 18.838 16.483 1.00 0.00 H new ATOM 554 N SER C 37 27.255 22.294 18.455 1.00 0.00 N ATOM 555 CA SER C 37 26.320 23.287 17.952 1.00 0.00 C ATOM 556 C SER C 37 27.076 24.352 17.176 1.00 0.00 C ATOM 557 O SER C 37 28.261 24.193 16.883 1.00 0.00 O ATOM 558 CB SER C 37 25.562 23.929 19.113 1.00 0.00 C ATOM 559 OG SER C 37 26.454 24.747 19.859 1.00 0.00 O ATOM 0 H SER C 37 28.022 22.680 19.005 1.00 0.00 H new ATOM 0 HA SER C 37 25.603 22.800 17.291 1.00 0.00 H new ATOM 0 HB2 SER C 37 24.732 24.526 18.735 1.00 0.00 H new ATOM 0 HB3 SER C 37 25.134 23.158 19.754 1.00 0.00 H new ATOM 0 HG SER C 37 25.971 25.162 20.604 1.00 0.00 H new ATOM 565 N THR C 38 26.384 25.430 16.839 1.00 0.00 N ATOM 566 CA THR C 38 26.996 26.512 16.090 1.00 0.00 C ATOM 567 C THR C 38 28.117 27.152 16.903 1.00 0.00 C ATOM 568 O THR C 38 29.020 27.776 16.349 1.00 0.00 O ATOM 569 CB THR C 38 25.931 27.559 15.762 1.00 0.00 C ATOM 570 OG1 THR C 38 25.376 28.062 16.970 1.00 0.00 O ATOM 571 CG2 THR C 38 24.824 26.916 14.922 1.00 0.00 C ATOM 0 H THR C 38 25.402 25.577 17.072 1.00 0.00 H new ATOM 0 HA THR C 38 27.420 26.115 15.167 1.00 0.00 H new ATOM 0 HB THR C 38 26.385 28.376 15.201 1.00 0.00 H new ATOM 0 HG1 THR C 38 24.694 28.735 16.762 1.00 0.00 H new ATOM 0 HG21 THR C 38 24.065 27.662 14.688 1.00 0.00 H new ATOM 0 HG22 THR C 38 25.249 26.528 13.996 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.369 26.099 15.483 1.00 0.00 H new ATOM 579 N LYS C 39 28.048 26.994 18.218 1.00 0.00 N ATOM 580 CA LYS C 39 29.054 27.562 19.108 1.00 0.00 C ATOM 581 C LYS C 39 30.399 26.842 18.949 1.00 0.00 C ATOM 582 O LYS C 39 31.404 27.452 18.577 1.00 0.00 O ATOM 583 CB LYS C 39 28.571 27.423 20.555 1.00 0.00 C ATOM 584 CG LYS C 39 29.184 28.525 21.429 1.00 0.00 C ATOM 585 CD LYS C 39 28.290 29.772 21.402 1.00 0.00 C ATOM 586 CE LYS C 39 28.845 30.826 22.363 1.00 0.00 C ATOM 587 NZ LYS C 39 28.416 30.502 23.754 1.00 0.00 N1+ ATOM 0 H LYS C 39 27.307 26.478 18.693 1.00 0.00 H new ATOM 0 HA LYS C 39 29.196 28.612 18.853 1.00 0.00 H new ATOM 0 HB2 LYS C 39 27.483 27.485 20.590 1.00 0.00 H new ATOM 0 HB3 LYS C 39 28.848 26.444 20.945 1.00 0.00 H new ATOM 0 HG2 LYS C 39 29.295 28.169 22.453 1.00 0.00 H new ATOM 0 HG3 LYS C 39 30.182 28.774 21.068 1.00 0.00 H new ATOM 0 HD2 LYS C 39 28.244 30.176 20.391 1.00 0.00 H new ATOM 0 HD3 LYS C 39 27.272 29.507 21.686 1.00 0.00 H new ATOM 0 HE2 LYS C 39 29.933 30.852 22.303 1.00 0.00 H new ATOM 0 HE3 LYS C 39 28.486 31.816 22.081 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 29.125 30.857 24.427 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 27.499 30.952 23.948 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 28.325 29.471 23.858 1.00 0.00 H new ATOM 601 N GLU C 40 30.413 25.541 19.235 1.00 0.00 N ATOM 602 CA GLU C 40 31.642 24.757 19.123 1.00 0.00 C ATOM 603 C GLU C 40 32.123 24.716 17.678 1.00 0.00 C ATOM 604 O GLU C 40 33.319 24.828 17.400 1.00 0.00 O ATOM 605 CB GLU C 40 31.385 23.323 19.594 1.00 0.00 C ATOM 606 CG GLU C 40 32.712 22.562 19.736 1.00 0.00 C ATOM 607 CD GLU C 40 33.223 22.111 18.370 1.00 0.00 C ATOM 608 OE1 GLU C 40 32.407 21.894 17.489 1.00 0.00 O ATOM 609 OE2 GLU C 40 34.428 21.988 18.226 1.00 0.00 O1- ATOM 0 H GLU C 40 29.597 25.012 19.543 1.00 0.00 H new ATOM 0 HA GLU C 40 32.404 25.227 19.744 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.861 23.335 20.550 1.00 0.00 H new ATOM 0 HB3 GLU C 40 30.738 22.810 18.883 1.00 0.00 H new ATOM 0 HG2 GLU C 40 33.454 23.201 20.215 1.00 0.00 H new ATOM 0 HG3 GLU C 40 32.573 21.695 20.382 1.00 0.00 H new ATOM 616 N LEU C 41 31.179 24.535 16.766 1.00 0.00 N ATOM 617 CA LEU C 41 31.497 24.455 15.357 1.00 0.00 C ATOM 618 C LEU C 41 32.080 25.781 14.876 1.00 0.00 C ATOM 619 O LEU C 41 32.998 25.810 14.061 1.00 0.00 O ATOM 620 CB LEU C 41 30.229 24.118 14.571 1.00 0.00 C ATOM 621 CG LEU C 41 30.601 23.769 13.134 1.00 0.00 C ATOM 622 CD1 LEU C 41 31.395 22.453 13.098 1.00 0.00 C ATOM 623 CD2 LEU C 41 29.326 23.620 12.301 1.00 0.00 C ATOM 0 H LEU C 41 30.187 24.441 16.982 1.00 0.00 H new ATOM 0 HA LEU C 41 32.239 23.673 15.196 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.711 23.280 15.038 1.00 0.00 H new ATOM 0 HB3 LEU C 41 29.543 24.965 14.585 1.00 0.00 H new ATOM 0 HG LEU C 41 31.218 24.567 12.721 1.00 0.00 H new ATOM 0 HD11 LEU C 41 31.655 22.213 12.067 1.00 0.00 H new ATOM 0 HD12 LEU C 41 32.306 22.561 13.687 1.00 0.00 H new ATOM 0 HD13 LEU C 41 30.787 21.650 13.515 1.00 0.00 H new ATOM 0 HD21 LEU C 41 29.590 23.371 11.273 1.00 0.00 H new ATOM 0 HD22 LEU C 41 28.708 22.826 12.720 1.00 0.00 H new ATOM 0 HD23 LEU C 41 28.770 24.558 12.315 1.00 0.00 H new ATOM 635 N GLY C 42 31.538 26.879 15.386 1.00 0.00 N ATOM 636 CA GLY C 42 32.018 28.200 15.005 1.00 0.00 C ATOM 637 C GLY C 42 33.483 28.369 15.397 1.00 0.00 C ATOM 638 O GLY C 42 34.272 28.961 14.659 1.00 0.00 O ATOM 0 H GLY C 42 30.772 26.882 16.059 1.00 0.00 H new ATOM 0 HA2 GLY C 42 31.905 28.339 13.930 1.00 0.00 H new ATOM 0 HA3 GLY C 42 31.415 28.967 15.491 1.00 0.00 H new ATOM 642 N LYS C 43 33.841 27.836 16.562 1.00 0.00 N ATOM 643 CA LYS C 43 35.214 27.928 17.048 1.00 0.00 C ATOM 644 C LYS C 43 36.148 27.194 16.101 1.00 0.00 C ATOM 645 O LYS C 43 37.250 27.657 15.801 1.00 0.00 O ATOM 646 CB LYS C 43 35.296 27.317 18.446 1.00 0.00 C ATOM 647 CG LYS C 43 34.556 28.224 19.430 1.00 0.00 C ATOM 648 CD LYS C 43 34.538 27.585 20.820 1.00 0.00 C ATOM 649 CE LYS C 43 33.806 28.515 21.791 1.00 0.00 C ATOM 650 NZ LYS C 43 33.730 27.876 23.136 1.00 0.00 N1+ ATOM 0 H LYS C 43 33.203 27.339 17.184 1.00 0.00 H new ATOM 0 HA LYS C 43 35.515 28.975 17.094 1.00 0.00 H new ATOM 0 HB2 LYS C 43 34.855 26.320 18.448 1.00 0.00 H new ATOM 0 HB3 LYS C 43 36.337 27.205 18.747 1.00 0.00 H new ATOM 0 HG2 LYS C 43 35.042 29.198 19.475 1.00 0.00 H new ATOM 0 HG3 LYS C 43 33.536 28.393 19.085 1.00 0.00 H new ATOM 0 HD2 LYS C 43 34.041 26.616 20.781 1.00 0.00 H new ATOM 0 HD3 LYS C 43 35.557 27.408 21.165 1.00 0.00 H new ATOM 0 HE2 LYS C 43 34.328 29.469 21.860 1.00 0.00 H new ATOM 0 HE3 LYS C 43 32.803 28.727 21.421 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 33.232 28.510 23.794 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 33.213 26.976 23.064 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 34.691 27.696 23.490 1.00 0.00 H new ATOM 664 N VAL C 44 35.681 26.051 15.624 1.00 0.00 N ATOM 665 CA VAL C 44 36.454 25.244 14.693 1.00 0.00 C ATOM 666 C VAL C 44 36.695 26.012 13.406 1.00 0.00 C ATOM 667 O VAL C 44 37.804 26.032 12.870 1.00 0.00 O ATOM 668 CB VAL C 44 35.675 23.986 14.363 1.00 0.00 C ATOM 669 CG1 VAL C 44 36.374 23.237 13.227 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.596 23.087 15.598 1.00 0.00 C ATOM 0 H VAL C 44 34.770 25.661 15.866 1.00 0.00 H new ATOM 0 HA VAL C 44 37.411 24.995 15.152 1.00 0.00 H new ATOM 0 HB VAL C 44 34.666 24.258 14.053 1.00 0.00 H new ATOM 0 HG11 VAL C 44 35.814 22.332 12.989 1.00 0.00 H new ATOM 0 HG12 VAL C 44 36.422 23.876 12.345 1.00 0.00 H new ATOM 0 HG13 VAL C 44 37.384 22.968 13.536 1.00 0.00 H new ATOM 0 HG21 VAL C 44 35.035 22.184 15.356 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.603 22.815 15.915 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.094 23.621 16.405 1.00 0.00 H new ATOM 680 N MET C 45 35.638 26.645 12.915 1.00 0.00 N ATOM 681 CA MET C 45 35.732 27.414 11.689 1.00 0.00 C ATOM 682 C MET C 45 36.740 28.546 11.849 1.00 0.00 C ATOM 683 O MET C 45 37.496 28.856 10.927 1.00 0.00 O ATOM 684 CB MET C 45 34.365 27.997 11.323 1.00 0.00 C ATOM 685 CG MET C 45 33.467 26.907 10.733 1.00 0.00 C ATOM 686 SD MET C 45 34.041 26.495 9.065 1.00 0.00 S ATOM 687 CE MET C 45 32.496 25.773 8.456 1.00 0.00 C ATOM 0 H MET C 45 34.713 26.640 13.346 1.00 0.00 H new ATOM 0 HA MET C 45 36.064 26.749 10.892 1.00 0.00 H new ATOM 0 HB2 MET C 45 33.895 28.426 12.208 1.00 0.00 H new ATOM 0 HB3 MET C 45 34.487 28.807 10.604 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.488 26.020 11.366 1.00 0.00 H new ATOM 0 HG3 MET C 45 32.433 27.250 10.700 1.00 0.00 H new ATOM 0 HE1 MET C 45 32.629 25.446 7.425 1.00 0.00 H new ATOM 0 HE2 MET C 45 32.225 24.918 9.076 1.00 0.00 H new ATOM 0 HE3 MET C 45 31.703 26.520 8.501 1.00 0.00 H new ATOM 697 N ARG C 46 36.740 29.165 13.025 1.00 0.00 N ATOM 698 CA ARG C 46 37.651 30.268 13.297 1.00 0.00 C ATOM 699 C ARG C 46 39.097 29.813 13.131 1.00 0.00 C ATOM 700 O ARG C 46 39.912 30.518 12.539 1.00 0.00 O ATOM 701 CB ARG C 46 37.431 30.786 14.720 1.00 0.00 C ATOM 702 CG ARG C 46 38.257 32.057 14.938 1.00 0.00 C ATOM 703 CD ARG C 46 38.148 32.500 16.396 1.00 0.00 C ATOM 704 NE ARG C 46 38.854 31.563 17.261 1.00 0.00 N ATOM 705 CZ ARG C 46 38.825 31.693 18.581 1.00 0.00 C ATOM 706 NH1 ARG C 46 38.146 32.666 19.125 1.00 0.00 N ATOM 707 NH2 ARG C 46 39.478 30.848 19.332 1.00 0.00 N1+ ATOM 0 H ARG C 46 36.123 28.923 13.800 1.00 0.00 H new ATOM 0 HA ARG C 46 37.451 31.071 12.587 1.00 0.00 H new ATOM 0 HB2 ARG C 46 36.374 30.995 14.882 1.00 0.00 H new ATOM 0 HB3 ARG C 46 37.720 30.024 15.444 1.00 0.00 H new ATOM 0 HG2 ARG C 46 39.300 31.873 14.681 1.00 0.00 H new ATOM 0 HG3 ARG C 46 37.902 32.850 14.280 1.00 0.00 H new ATOM 0 HD2 ARG C 46 38.567 33.500 16.512 1.00 0.00 H new ATOM 0 HD3 ARG C 46 37.100 32.557 16.689 1.00 0.00 H new ATOM 0 HE ARG C 46 39.379 30.794 16.844 1.00 0.00 H new ATOM 0 HH11 ARG C 46 37.638 33.326 18.535 1.00 0.00 H new ATOM 0 HH12 ARG C 46 38.123 32.767 20.140 1.00 0.00 H new ATOM 0 HH21 ARG C 46 40.009 30.090 18.904 1.00 0.00 H new ATOM 0 HH22 ARG C 46 39.457 30.946 20.347 1.00 0.00 H new ATOM 721 N MET C 47 39.408 28.628 13.647 1.00 0.00 N ATOM 722 CA MET C 47 40.759 28.094 13.536 1.00 0.00 C ATOM 723 C MET C 47 41.138 27.926 12.071 1.00 0.00 C ATOM 724 O MET C 47 42.276 28.179 11.675 1.00 0.00 O ATOM 725 CB MET C 47 40.859 26.747 14.254 1.00 0.00 C ATOM 726 CG MET C 47 42.315 26.277 14.231 1.00 0.00 C ATOM 727 SD MET C 47 42.483 24.724 15.154 1.00 0.00 S ATOM 728 CE MET C 47 41.893 23.588 13.872 1.00 0.00 C ATOM 0 H MET C 47 38.750 28.025 14.141 1.00 0.00 H new ATOM 0 HA MET C 47 41.448 28.796 14.005 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.510 26.842 15.282 1.00 0.00 H new ATOM 0 HB3 MET C 47 40.218 26.012 13.767 1.00 0.00 H new ATOM 0 HG2 MET C 47 42.643 26.135 13.201 1.00 0.00 H new ATOM 0 HG3 MET C 47 42.959 27.040 14.668 1.00 0.00 H new ATOM 0 HE1 MET C 47 41.145 22.918 14.296 1.00 0.00 H new ATOM 0 HE2 MET C 47 41.448 24.159 13.057 1.00 0.00 H new ATOM 0 HE3 MET C 47 42.730 23.003 13.491 1.00 0.00 H new ATOM 738 N LEU C 48 40.171 27.492 11.279 1.00 0.00 N ATOM 739 CA LEU C 48 40.390 27.284 9.850 1.00 0.00 C ATOM 740 C LEU C 48 40.540 28.619 9.119 1.00 0.00 C ATOM 741 O LEU C 48 40.904 28.653 7.944 1.00 0.00 O ATOM 742 CB LEU C 48 39.219 26.504 9.241 1.00 0.00 C ATOM 743 CG LEU C 48 39.142 25.099 9.853 1.00 0.00 C ATOM 744 CD1 LEU C 48 37.912 24.375 9.302 1.00 0.00 C ATOM 745 CD2 LEU C 48 40.399 24.299 9.493 1.00 0.00 C ATOM 0 H LEU C 48 39.226 27.276 11.597 1.00 0.00 H new ATOM 0 HA LEU C 48 41.311 26.712 9.734 1.00 0.00 H new ATOM 0 HB2 LEU C 48 38.285 27.038 9.419 1.00 0.00 H new ATOM 0 HB3 LEU C 48 39.344 26.432 8.161 1.00 0.00 H new ATOM 0 HG LEU C 48 39.070 25.186 10.937 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.854 23.376 9.734 1.00 0.00 H new ATOM 0 HD12 LEU C 48 37.014 24.935 9.561 1.00 0.00 H new ATOM 0 HD13 LEU C 48 37.991 24.297 8.218 1.00 0.00 H new ATOM 0 HD21 LEU C 48 40.335 23.303 9.932 1.00 0.00 H new ATOM 0 HD22 LEU C 48 40.478 24.213 8.409 1.00 0.00 H new ATOM 0 HD23 LEU C 48 41.280 24.811 9.881 1.00 0.00 H new ATOM 757 N GLY C 49 40.254 29.716 9.815 1.00 0.00 N ATOM 758 CA GLY C 49 40.360 31.037 9.208 1.00 0.00 C ATOM 759 C GLY C 49 39.020 31.492 8.639 1.00 0.00 C ATOM 760 O GLY C 49 38.948 32.507 7.946 1.00 0.00 O ATOM 0 H GLY C 49 39.950 29.716 10.789 1.00 0.00 H new ATOM 0 HA2 GLY C 49 40.705 31.755 9.952 1.00 0.00 H new ATOM 0 HA3 GLY C 49 41.107 31.017 8.414 1.00 0.00 H new ATOM 764 N GLN C 50 37.961 30.742 8.940 1.00 0.00 N ATOM 765 CA GLN C 50 36.625 31.084 8.457 1.00 0.00 C ATOM 766 C GLN C 50 35.739 31.522 9.617 1.00 0.00 C ATOM 767 O GLN C 50 35.711 30.880 10.667 1.00 0.00 O ATOM 768 CB GLN C 50 35.991 29.874 7.762 1.00 0.00 C ATOM 769 CG GLN C 50 36.854 29.448 6.570 1.00 0.00 C ATOM 770 CD GLN C 50 36.927 30.579 5.549 1.00 0.00 C ATOM 771 OE1 GLN C 50 35.902 30.995 5.008 1.00 0.00 O ATOM 772 NE2 GLN C 50 38.082 31.114 5.262 1.00 0.00 N ATOM 0 H GLN C 50 38.002 29.899 9.512 1.00 0.00 H new ATOM 0 HA GLN C 50 36.715 31.905 7.745 1.00 0.00 H new ATOM 0 HB2 GLN C 50 35.895 29.048 8.466 1.00 0.00 H new ATOM 0 HB3 GLN C 50 34.985 30.123 7.424 1.00 0.00 H new ATOM 0 HG2 GLN C 50 37.857 29.189 6.910 1.00 0.00 H new ATOM 0 HG3 GLN C 50 36.434 28.555 6.107 1.00 0.00 H new ATOM 0 HE21 GLN C 50 38.930 30.768 5.711 1.00 0.00 H new ATOM 0 HE22 GLN C 50 38.137 31.878 4.589 1.00 0.00 H new ATOM 781 N ASN C 51 35.015 32.620 9.417 1.00 0.00 N ATOM 782 CA ASN C 51 34.123 33.142 10.447 1.00 0.00 C ATOM 783 C ASN C 51 32.763 33.489 9.861 1.00 0.00 C ATOM 784 O ASN C 51 32.441 34.660 9.661 1.00 0.00 O ATOM 785 CB ASN C 51 34.719 34.388 11.093 1.00 0.00 C ATOM 786 CG ASN C 51 36.053 34.049 11.741 1.00 0.00 C ATOM 787 OD1 ASN C 51 36.868 33.335 11.156 1.00 0.00 O ATOM 788 ND2 ASN C 51 36.321 34.517 12.926 1.00 0.00 N ATOM 0 H ASN C 51 35.029 33.164 8.554 1.00 0.00 H new ATOM 0 HA ASN C 51 34.001 32.365 11.201 1.00 0.00 H new ATOM 0 HB2 ASN C 51 34.857 35.166 10.343 1.00 0.00 H new ATOM 0 HB3 ASN C 51 34.032 34.784 11.841 1.00 0.00 H new ATOM 0 HD21 ASN C 51 37.209 34.293 13.374 1.00 0.00 H new ATOM 0 HD22 ASN C 51 35.643 35.108 13.406 1.00 0.00 H new ATOM 795 N PRO C 52 31.965 32.504 9.590 1.00 0.00 N ATOM 796 CA PRO C 52 30.613 32.709 9.018 1.00 0.00 C ATOM 797 C PRO C 52 29.702 33.449 9.975 1.00 0.00 C ATOM 798 O PRO C 52 30.156 34.208 10.834 1.00 0.00 O ATOM 799 CB PRO C 52 30.080 31.298 8.761 1.00 0.00 C ATOM 800 CG PRO C 52 31.234 30.374 8.925 1.00 0.00 C ATOM 801 CD PRO C 52 32.256 31.085 9.800 1.00 0.00 C ATOM 0 HA PRO C 52 30.653 33.317 8.114 1.00 0.00 H new ATOM 0 HB2 PRO C 52 29.283 31.051 9.462 1.00 0.00 H new ATOM 0 HB3 PRO C 52 29.659 31.219 7.759 1.00 0.00 H new ATOM 0 HG2 PRO C 52 30.916 29.439 9.386 1.00 0.00 H new ATOM 0 HG3 PRO C 52 31.666 30.121 7.957 1.00 0.00 H new ATOM 0 HD2 PRO C 52 32.150 30.805 10.848 1.00 0.00 H new ATOM 0 HD3 PRO C 52 33.276 30.838 9.506 1.00 0.00 H new ATOM 809 N THR C 53 28.415 33.207 9.816 1.00 0.00 N ATOM 810 CA THR C 53 27.410 33.837 10.664 1.00 0.00 C ATOM 811 C THR C 53 26.499 32.777 11.291 1.00 0.00 C ATOM 812 O THR C 53 26.364 31.683 10.745 1.00 0.00 O ATOM 813 CB THR C 53 26.573 34.817 9.839 1.00 0.00 C ATOM 814 OG1 THR C 53 26.059 34.160 8.695 1.00 0.00 O ATOM 815 CG2 THR C 53 27.440 35.994 9.406 1.00 0.00 C ATOM 0 H THR C 53 28.036 32.578 9.108 1.00 0.00 H new ATOM 0 HA THR C 53 27.917 34.379 11.462 1.00 0.00 H new ATOM 0 HB THR C 53 25.745 35.183 10.447 1.00 0.00 H new ATOM 0 HG1 THR C 53 25.522 34.790 8.170 1.00 0.00 H new ATOM 0 HG21 THR C 53 26.841 36.690 8.819 1.00 0.00 H new ATOM 0 HG22 THR C 53 27.828 36.504 10.288 1.00 0.00 H new ATOM 0 HG23 THR C 53 28.271 35.631 8.802 1.00 0.00 H new ATOM 823 N PRO C 54 25.870 33.056 12.414 1.00 0.00 N ATOM 824 CA PRO C 54 24.954 32.071 13.070 1.00 0.00 C ATOM 825 C PRO C 54 23.910 31.500 12.116 1.00 0.00 C ATOM 826 O PRO C 54 23.589 30.315 12.177 1.00 0.00 O ATOM 827 CB PRO C 54 24.258 32.907 14.140 1.00 0.00 C ATOM 828 CG PRO C 54 25.251 33.944 14.505 1.00 0.00 C ATOM 829 CD PRO C 54 25.960 34.309 13.207 1.00 0.00 C ATOM 0 HA PRO C 54 25.503 31.208 13.446 1.00 0.00 H new ATOM 0 HB2 PRO C 54 23.339 33.354 13.759 1.00 0.00 H new ATOM 0 HB3 PRO C 54 23.984 32.299 15.002 1.00 0.00 H new ATOM 0 HG2 PRO C 54 24.764 34.815 14.944 1.00 0.00 H new ATOM 0 HG3 PRO C 54 25.957 33.567 15.245 1.00 0.00 H new ATOM 0 HD2 PRO C 54 25.473 35.143 12.701 1.00 0.00 H new ATOM 0 HD3 PRO C 54 26.995 34.603 13.381 1.00 0.00 H new ATOM 837 N GLU C 55 23.372 32.353 11.253 1.00 0.00 N ATOM 838 CA GLU C 55 22.339 31.924 10.317 1.00 0.00 C ATOM 839 C GLU C 55 22.878 30.862 9.371 1.00 0.00 C ATOM 840 O GLU C 55 22.231 29.849 9.106 1.00 0.00 O ATOM 841 CB GLU C 55 21.897 33.126 9.489 1.00 0.00 C ATOM 842 CG GLU C 55 21.350 34.188 10.426 1.00 0.00 C ATOM 843 CD GLU C 55 20.829 35.381 9.631 1.00 0.00 C ATOM 844 OE1 GLU C 55 20.816 35.298 8.413 1.00 0.00 O ATOM 845 OE2 GLU C 55 20.458 36.365 10.250 1.00 0.00 O1- ATOM 0 H GLU C 55 23.630 33.337 11.181 1.00 0.00 H new ATOM 0 HA GLU C 55 21.504 31.509 10.882 1.00 0.00 H new ATOM 0 HB2 GLU C 55 22.738 33.522 8.919 1.00 0.00 H new ATOM 0 HB3 GLU C 55 21.135 32.829 8.769 1.00 0.00 H new ATOM 0 HG2 GLU C 55 20.547 33.768 11.032 1.00 0.00 H new ATOM 0 HG3 GLU C 55 22.131 34.514 11.113 1.00 0.00 H new ATOM 852 N GLU C 56 24.072 31.118 8.871 1.00 0.00 N ATOM 853 CA GLU C 56 24.723 30.197 7.939 1.00 0.00 C ATOM 854 C GLU C 56 25.077 28.897 8.635 1.00 0.00 C ATOM 855 O GLU C 56 24.890 27.807 8.094 1.00 0.00 O ATOM 856 CB GLU C 56 25.999 30.837 7.404 1.00 0.00 C ATOM 857 CG GLU C 56 25.633 32.084 6.614 1.00 0.00 C ATOM 858 CD GLU C 56 24.939 31.690 5.314 1.00 0.00 C ATOM 859 OE1 GLU C 56 25.009 30.525 4.957 1.00 0.00 O ATOM 860 OE2 GLU C 56 24.348 32.558 4.693 1.00 0.00 O1- ATOM 0 H GLU C 56 24.616 31.953 9.090 1.00 0.00 H new ATOM 0 HA GLU C 56 24.035 29.986 7.120 1.00 0.00 H new ATOM 0 HB2 GLU C 56 26.665 31.095 8.228 1.00 0.00 H new ATOM 0 HB3 GLU C 56 26.536 30.133 6.769 1.00 0.00 H new ATOM 0 HG2 GLU C 56 24.978 32.722 7.207 1.00 0.00 H new ATOM 0 HG3 GLU C 56 26.530 32.664 6.396 1.00 0.00 H new ATOM 867 N LEU C 57 25.589 29.033 9.842 1.00 0.00 N ATOM 868 CA LEU C 57 25.978 27.873 10.633 1.00 0.00 C ATOM 869 C LEU C 57 24.758 27.023 10.963 1.00 0.00 C ATOM 870 O LEU C 57 24.818 25.793 10.954 1.00 0.00 O ATOM 871 CB LEU C 57 26.654 28.329 11.930 1.00 0.00 C ATOM 872 CG LEU C 57 27.994 29.008 11.613 1.00 0.00 C ATOM 873 CD1 LEU C 57 28.604 29.568 12.901 1.00 0.00 C ATOM 874 CD2 LEU C 57 28.963 27.997 10.992 1.00 0.00 C ATOM 0 H LEU C 57 25.747 29.931 10.299 1.00 0.00 H new ATOM 0 HA LEU C 57 26.679 27.274 10.051 1.00 0.00 H new ATOM 0 HB2 LEU C 57 26.004 29.021 12.465 1.00 0.00 H new ATOM 0 HB3 LEU C 57 26.817 27.473 12.585 1.00 0.00 H new ATOM 0 HG LEU C 57 27.820 29.819 10.906 1.00 0.00 H new ATOM 0 HD11 LEU C 57 29.555 30.050 12.674 1.00 0.00 H new ATOM 0 HD12 LEU C 57 27.923 30.298 13.339 1.00 0.00 H new ATOM 0 HD13 LEU C 57 28.769 28.756 13.609 1.00 0.00 H new ATOM 0 HD21 LEU C 57 29.910 28.489 10.771 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.134 27.179 11.692 1.00 0.00 H new ATOM 0 HD23 LEU C 57 28.536 27.602 10.070 1.00 0.00 H new ATOM 886 N GLN C 58 23.654 27.695 11.257 1.00 0.00 N ATOM 887 CA GLN C 58 22.416 27.001 11.595 1.00 0.00 C ATOM 888 C GLN C 58 21.920 26.172 10.410 1.00 0.00 C ATOM 889 O GLN C 58 21.456 25.043 10.577 1.00 0.00 O ATOM 890 CB GLN C 58 21.348 28.026 11.991 1.00 0.00 C ATOM 891 CG GLN C 58 20.096 27.313 12.515 1.00 0.00 C ATOM 892 CD GLN C 58 20.420 26.540 13.791 1.00 0.00 C ATOM 893 OE1 GLN C 58 20.971 27.105 14.736 1.00 0.00 O ATOM 894 NE2 GLN C 58 20.106 25.275 13.877 1.00 0.00 N ATOM 0 H GLN C 58 23.588 28.713 11.269 1.00 0.00 H new ATOM 0 HA GLN C 58 22.609 26.328 12.431 1.00 0.00 H new ATOM 0 HB2 GLN C 58 21.742 28.694 12.757 1.00 0.00 H new ATOM 0 HB3 GLN C 58 21.090 28.644 11.131 1.00 0.00 H new ATOM 0 HG2 GLN C 58 19.310 28.042 12.713 1.00 0.00 H new ATOM 0 HG3 GLN C 58 19.713 26.631 11.756 1.00 0.00 H new ATOM 0 HE21 GLN C 58 19.650 24.808 13.093 1.00 0.00 H new ATOM 0 HE22 GLN C 58 20.317 24.754 14.728 1.00 0.00 H new ATOM 903 N GLU C 59 22.018 26.745 9.218 1.00 0.00 N ATOM 904 CA GLU C 59 21.581 26.071 8.011 1.00 0.00 C ATOM 905 C GLU C 59 22.421 24.821 7.757 1.00 0.00 C ATOM 906 O GLU C 59 21.901 23.792 7.326 1.00 0.00 O ATOM 907 CB GLU C 59 21.689 27.041 6.835 1.00 0.00 C ATOM 908 CG GLU C 59 21.178 26.379 5.557 1.00 0.00 C ATOM 909 CD GLU C 59 19.693 26.045 5.688 1.00 0.00 C ATOM 910 OE1 GLU C 59 19.044 26.633 6.538 1.00 0.00 O ATOM 911 OE2 GLU C 59 19.227 25.205 4.935 1.00 0.00 O1- ATOM 0 H GLU C 59 22.398 27.679 9.065 1.00 0.00 H new ATOM 0 HA GLU C 59 20.544 25.755 8.127 1.00 0.00 H new ATOM 0 HB2 GLU C 59 21.111 27.942 7.043 1.00 0.00 H new ATOM 0 HB3 GLU C 59 22.726 27.351 6.703 1.00 0.00 H new ATOM 0 HG2 GLU C 59 21.334 27.044 4.708 1.00 0.00 H new ATOM 0 HG3 GLU C 59 21.746 25.470 5.359 1.00 0.00 H new ATOM 918 N MET C 60 23.723 24.920 8.009 1.00 0.00 N ATOM 919 CA MET C 60 24.621 23.799 7.794 1.00 0.00 C ATOM 920 C MET C 60 24.194 22.605 8.643 1.00 0.00 C ATOM 921 O MET C 60 24.126 21.476 8.156 1.00 0.00 O ATOM 922 CB MET C 60 26.044 24.224 8.161 1.00 0.00 C ATOM 923 CG MET C 60 27.007 23.069 7.909 1.00 0.00 C ATOM 924 SD MET C 60 28.706 23.614 8.218 1.00 0.00 S ATOM 925 CE MET C 60 29.525 22.033 7.885 1.00 0.00 C ATOM 0 H MET C 60 24.175 25.764 8.361 1.00 0.00 H new ATOM 0 HA MET C 60 24.585 23.502 6.746 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.339 25.091 7.570 1.00 0.00 H new ATOM 0 HB3 MET C 60 26.086 24.523 9.208 1.00 0.00 H new ATOM 0 HG2 MET C 60 26.760 22.229 8.558 1.00 0.00 H new ATOM 0 HG3 MET C 60 26.908 22.718 6.882 1.00 0.00 H new ATOM 0 HE1 MET C 60 30.601 22.145 8.020 1.00 0.00 H new ATOM 0 HE2 MET C 60 29.150 21.277 8.574 1.00 0.00 H new ATOM 0 HE3 MET C 60 29.318 21.725 6.860 1.00 0.00 H new ATOM 935 N ILE C 61 23.898 22.864 9.911 1.00 0.00 N ATOM 936 CA ILE C 61 23.468 21.807 10.816 1.00 0.00 C ATOM 937 C ILE C 61 22.131 21.229 10.370 1.00 0.00 C ATOM 938 O ILE C 61 21.898 20.025 10.456 1.00 0.00 O ATOM 939 CB ILE C 61 23.341 22.342 12.235 1.00 0.00 C ATOM 940 CG1 ILE C 61 24.733 22.703 12.749 1.00 0.00 C ATOM 941 CG2 ILE C 61 22.719 21.262 13.126 1.00 0.00 C ATOM 942 CD1 ILE C 61 24.600 23.439 14.077 1.00 0.00 C ATOM 0 H ILE C 61 23.948 23.791 10.333 1.00 0.00 H new ATOM 0 HA ILE C 61 24.220 21.019 10.795 1.00 0.00 H new ATOM 0 HB ILE C 61 22.705 23.227 12.250 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.332 21.801 12.877 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.251 23.329 12.023 1.00 0.00 H new ATOM 0 HG21 ILE C 61 22.626 21.640 14.144 1.00 0.00 H new ATOM 0 HG22 ILE C 61 21.732 20.999 12.744 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.356 20.378 13.124 1.00 0.00 H new ATOM 0 HD11 ILE C 61 25.591 23.700 14.449 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.016 24.348 13.932 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.098 22.797 14.800 1.00 0.00 H new ATOM 954 N ASP C 62 21.248 22.110 9.915 1.00 0.00 N ATOM 955 CA ASP C 62 19.920 21.697 9.475 1.00 0.00 C ATOM 956 C ASP C 62 20.013 20.689 8.338 1.00 0.00 C ATOM 957 O ASP C 62 19.220 19.749 8.260 1.00 0.00 O ATOM 958 CB ASP C 62 19.123 22.917 9.013 1.00 0.00 C ATOM 959 CG ASP C 62 18.736 23.771 10.217 1.00 0.00 C ATOM 960 OD1 ASP C 62 18.905 23.302 11.331 1.00 0.00 O ATOM 961 OD2 ASP C 62 18.271 24.877 10.005 1.00 0.00 O1- ATOM 0 H ASP C 62 21.426 23.112 9.841 1.00 0.00 H new ATOM 0 HA ASP C 62 19.413 21.225 10.317 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.716 23.506 8.314 1.00 0.00 H new ATOM 0 HB3 ASP C 62 18.228 22.597 8.480 1.00 0.00 H new ATOM 966 N GLU C 63 20.976 20.889 7.455 1.00 0.00 N ATOM 967 CA GLU C 63 21.155 19.989 6.327 1.00 0.00 C ATOM 968 C GLU C 63 21.430 18.569 6.820 1.00 0.00 C ATOM 969 O GLU C 63 21.100 17.596 6.141 1.00 0.00 O ATOM 970 CB GLU C 63 22.311 20.476 5.448 1.00 0.00 C ATOM 971 CG GLU C 63 21.890 21.754 4.719 1.00 0.00 C ATOM 972 CD GLU C 63 23.092 22.377 4.016 1.00 0.00 C ATOM 973 OE1 GLU C 63 24.203 21.979 4.322 1.00 0.00 O ATOM 974 OE2 GLU C 63 22.883 23.245 3.184 1.00 0.00 O1- ATOM 0 H GLU C 63 21.642 21.660 7.495 1.00 0.00 H new ATOM 0 HA GLU C 63 20.240 19.980 5.735 1.00 0.00 H new ATOM 0 HB2 GLU C 63 23.193 20.667 6.060 1.00 0.00 H new ATOM 0 HB3 GLU C 63 22.584 19.706 4.727 1.00 0.00 H new ATOM 0 HG2 GLU C 63 21.111 21.527 3.991 1.00 0.00 H new ATOM 0 HG3 GLU C 63 21.466 22.464 5.429 1.00 0.00 H new ATOM 981 N VAL C 64 22.038 18.456 8.004 1.00 0.00 N ATOM 982 CA VAL C 64 22.356 17.147 8.575 1.00 0.00 C ATOM 983 C VAL C 64 21.542 16.854 9.836 1.00 0.00 C ATOM 984 O VAL C 64 21.729 15.809 10.459 1.00 0.00 O ATOM 985 CB VAL C 64 23.840 17.080 8.929 1.00 0.00 C ATOM 986 CG1 VAL C 64 24.680 17.153 7.654 1.00 0.00 C ATOM 987 CG2 VAL C 64 24.202 18.252 9.846 1.00 0.00 C ATOM 0 H VAL C 64 22.318 19.249 8.581 1.00 0.00 H new ATOM 0 HA VAL C 64 22.105 16.401 7.821 1.00 0.00 H new ATOM 0 HB VAL C 64 24.044 16.140 9.442 1.00 0.00 H new ATOM 0 HG11 VAL C 64 25.738 17.105 7.912 1.00 0.00 H new ATOM 0 HG12 VAL C 64 24.427 16.316 7.003 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.475 18.090 7.136 1.00 0.00 H new ATOM 0 HG21 VAL C 64 25.261 18.203 10.098 1.00 0.00 H new ATOM 0 HG22 VAL C 64 23.994 19.192 9.335 1.00 0.00 H new ATOM 0 HG23 VAL C 64 23.609 18.196 10.759 1.00 0.00 H new ATOM 997 N ASP C 65 20.655 17.767 10.229 1.00 0.00 N ATOM 998 CA ASP C 65 19.862 17.543 11.439 1.00 0.00 C ATOM 999 C ASP C 65 18.507 16.936 11.100 1.00 0.00 C ATOM 1000 O ASP C 65 17.603 17.625 10.628 1.00 0.00 O ATOM 1001 CB ASP C 65 19.656 18.847 12.200 1.00 0.00 C ATOM 1002 CG ASP C 65 19.066 18.547 13.570 1.00 0.00 C ATOM 1003 OD1 ASP C 65 18.324 17.586 13.673 1.00 0.00 O ATOM 1004 OD2 ASP C 65 19.387 19.266 14.501 1.00 0.00 O1- ATOM 0 H ASP C 65 20.469 18.645 9.744 1.00 0.00 H new ATOM 0 HA ASP C 65 20.415 16.845 12.068 1.00 0.00 H new ATOM 0 HB2 ASP C 65 20.605 19.371 12.308 1.00 0.00 H new ATOM 0 HB3 ASP C 65 18.990 19.505 11.642 1.00 0.00 H new ATOM 1009 N GLU C 66 18.377 15.643 11.352 1.00 0.00 N ATOM 1010 CA GLU C 66 17.131 14.940 11.079 1.00 0.00 C ATOM 1011 C GLU C 66 15.999 15.461 11.969 1.00 0.00 C ATOM 1012 O GLU C 66 14.868 15.624 11.510 1.00 0.00 O ATOM 1013 CB GLU C 66 17.322 13.437 11.302 1.00 0.00 C ATOM 1014 CG GLU C 66 16.033 12.698 10.933 1.00 0.00 C ATOM 1015 CD GLU C 66 16.238 11.191 11.052 1.00 0.00 C ATOM 1016 OE1 GLU C 66 17.312 10.789 11.467 1.00 0.00 O ATOM 1017 OE2 GLU C 66 15.318 10.460 10.722 1.00 0.00 O1- ATOM 0 H GLU C 66 19.116 15.059 11.744 1.00 0.00 H new ATOM 0 HA GLU C 66 16.857 15.120 10.040 1.00 0.00 H new ATOM 0 HB2 GLU C 66 18.150 13.071 10.695 1.00 0.00 H new ATOM 0 HB3 GLU C 66 17.580 13.243 12.343 1.00 0.00 H new ATOM 0 HG2 GLU C 66 15.223 13.015 11.589 1.00 0.00 H new ATOM 0 HG3 GLU C 66 15.737 12.953 9.915 1.00 0.00 H new ATOM 1024 N ASP C 67 16.300 15.706 13.246 1.00 0.00 N ATOM 1025 CA ASP C 67 15.280 16.192 14.177 1.00 0.00 C ATOM 1026 C ASP C 67 15.122 17.710 14.105 1.00 0.00 C ATOM 1027 O ASP C 67 14.174 18.265 14.661 1.00 0.00 O ATOM 1028 CB ASP C 67 15.609 15.756 15.610 1.00 0.00 C ATOM 1029 CG ASP C 67 17.051 16.099 15.964 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.422 17.249 15.811 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.766 15.203 16.383 1.00 0.00 O1- ATOM 0 H ASP C 67 17.226 15.579 13.654 1.00 0.00 H new ATOM 0 HA ASP C 67 14.329 15.748 13.881 1.00 0.00 H new ATOM 0 HB2 ASP C 67 14.932 16.247 16.309 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.450 14.683 15.714 1.00 0.00 H new ATOM 1036 N GLY C 68 16.035 18.377 13.411 1.00 0.00 N ATOM 1037 CA GLY C 68 15.951 19.828 13.275 1.00 0.00 C ATOM 1038 C GLY C 68 16.290 20.523 14.590 1.00 0.00 C ATOM 1039 O GLY C 68 16.025 21.713 14.762 1.00 0.00 O ATOM 0 H GLY C 68 16.831 17.947 12.940 1.00 0.00 H new ATOM 0 HA2 GLY C 68 16.635 20.164 12.496 1.00 0.00 H new ATOM 0 HA3 GLY C 68 14.946 20.109 12.960 1.00 0.00 H new ATOM 1043 N SER C 69 16.865 19.770 15.520 1.00 0.00 N ATOM 1044 CA SER C 69 17.222 20.321 16.825 1.00 0.00 C ATOM 1045 C SER C 69 18.258 21.441 16.699 1.00 0.00 C ATOM 1046 O SER C 69 18.401 22.264 17.604 1.00 0.00 O ATOM 1047 CB SER C 69 17.775 19.217 17.727 1.00 0.00 C ATOM 1048 OG SER C 69 18.974 18.706 17.161 1.00 0.00 O ATOM 0 H SER C 69 17.093 18.783 15.398 1.00 0.00 H new ATOM 0 HA SER C 69 16.317 20.740 17.265 1.00 0.00 H new ATOM 0 HB2 SER C 69 17.969 19.610 18.725 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.041 18.418 17.836 1.00 0.00 H new ATOM 0 HG SER C 69 18.781 18.316 16.283 1.00 0.00 H new ATOM 1054 N GLY C 70 18.983 21.467 15.586 1.00 0.00 N ATOM 1055 CA GLY C 70 20.000 22.489 15.377 1.00 0.00 C ATOM 1056 C GLY C 70 21.315 22.076 16.023 1.00 0.00 C ATOM 1057 O GLY C 70 22.234 22.883 16.146 1.00 0.00 O ATOM 0 H GLY C 70 18.887 20.799 14.822 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.148 22.650 14.309 1.00 0.00 H new ATOM 0 HA3 GLY C 70 19.663 23.436 15.798 1.00 0.00 H new ATOM 1061 N THR C 71 21.396 20.813 16.435 1.00 0.00 N ATOM 1062 CA THR C 71 22.604 20.299 17.068 1.00 0.00 C ATOM 1063 C THR C 71 22.995 18.953 16.468 1.00 0.00 C ATOM 1064 O THR C 71 22.172 18.279 15.845 1.00 0.00 O ATOM 1065 CB THR C 71 22.377 20.145 18.572 1.00 0.00 C ATOM 1066 OG1 THR C 71 21.347 19.193 18.799 1.00 0.00 O ATOM 1067 CG2 THR C 71 21.968 21.494 19.163 1.00 0.00 C ATOM 0 H THR C 71 20.643 20.131 16.342 1.00 0.00 H new ATOM 0 HA THR C 71 23.414 21.008 16.893 1.00 0.00 H new ATOM 0 HB THR C 71 23.296 19.804 19.048 1.00 0.00 H new ATOM 0 HG1 THR C 71 20.671 19.268 18.094 1.00 0.00 H new ATOM 0 HG21 THR C 71 21.805 21.387 20.235 1.00 0.00 H new ATOM 0 HG22 THR C 71 22.759 22.223 18.987 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.048 21.835 18.689 1.00 0.00 H new ATOM 1075 N VAL C 72 24.252 18.567 16.666 1.00 0.00 N ATOM 1076 CA VAL C 72 24.752 17.299 16.149 1.00 0.00 C ATOM 1077 C VAL C 72 25.021 16.324 17.288 1.00 0.00 C ATOM 1078 O VAL C 72 25.744 16.637 18.235 1.00 0.00 O ATOM 1079 CB VAL C 72 26.033 17.533 15.350 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.640 16.191 14.937 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.702 18.339 14.092 1.00 0.00 C ATOM 0 H VAL C 72 24.942 19.114 17.181 1.00 0.00 H new ATOM 0 HA VAL C 72 23.994 16.867 15.496 1.00 0.00 H new ATOM 0 HB VAL C 72 26.746 18.079 15.967 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.553 16.365 14.368 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.873 15.608 15.828 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.927 15.643 14.321 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.613 18.509 13.518 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.987 17.786 13.483 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.269 19.298 14.378 1.00 0.00 H new ATOM 1091 N ASP C 73 24.421 15.142 17.183 1.00 0.00 N ATOM 1092 CA ASP C 73 24.580 14.109 18.199 1.00 0.00 C ATOM 1093 C ASP C 73 25.555 13.035 17.726 1.00 0.00 C ATOM 1094 O ASP C 73 26.104 13.120 16.629 1.00 0.00 O ATOM 1095 CB ASP C 73 23.224 13.473 18.510 1.00 0.00 C ATOM 1096 CG ASP C 73 22.244 14.540 18.985 1.00 0.00 C ATOM 1097 OD1 ASP C 73 22.625 15.331 19.832 1.00 0.00 O ATOM 1098 OD2 ASP C 73 21.127 14.552 18.495 1.00 0.00 O1- ATOM 0 H ASP C 73 23.820 14.876 16.403 1.00 0.00 H new ATOM 0 HA ASP C 73 24.980 14.571 19.102 1.00 0.00 H new ATOM 0 HB2 ASP C 73 22.833 12.978 17.621 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.340 12.707 19.277 1.00 0.00 H new ATOM 1103 N PHE C 74 25.768 12.029 18.565 1.00 0.00 N ATOM 1104 CA PHE C 74 26.683 10.945 18.234 1.00 0.00 C ATOM 1105 C PHE C 74 26.249 10.249 16.944 1.00 0.00 C ATOM 1106 O PHE C 74 27.061 10.009 16.052 1.00 0.00 O ATOM 1107 CB PHE C 74 26.718 9.939 19.384 1.00 0.00 C ATOM 1108 CG PHE C 74 27.681 8.826 19.056 1.00 0.00 C ATOM 1109 CD1 PHE C 74 29.059 9.046 19.148 1.00 0.00 C ATOM 1110 CD2 PHE C 74 27.196 7.571 18.672 1.00 0.00 C ATOM 1111 CE1 PHE C 74 29.955 8.012 18.855 1.00 0.00 C ATOM 1112 CE2 PHE C 74 28.092 6.537 18.376 1.00 0.00 C ATOM 1113 CZ PHE C 74 29.471 6.757 18.469 1.00 0.00 C ATOM 0 H PHE C 74 25.321 11.942 19.477 1.00 0.00 H new ATOM 0 HA PHE C 74 27.680 11.359 18.082 1.00 0.00 H new ATOM 0 HB2 PHE C 74 27.022 10.436 20.305 1.00 0.00 H new ATOM 0 HB3 PHE C 74 25.721 9.532 19.555 1.00 0.00 H new ATOM 0 HD1 PHE C 74 29.432 10.015 19.445 1.00 0.00 H new ATOM 0 HD2 PHE C 74 26.132 7.400 18.604 1.00 0.00 H new ATOM 0 HE1 PHE C 74 31.019 8.182 18.927 1.00 0.00 H new ATOM 0 HE2 PHE C 74 27.719 5.569 18.076 1.00 0.00 H new ATOM 0 HZ PHE C 74 30.162 5.958 18.243 1.00 0.00 H new ATOM 1123 N ASP C 75 24.963 9.925 16.852 1.00 0.00 N ATOM 1124 CA ASP C 75 24.432 9.259 15.666 1.00 0.00 C ATOM 1125 C ASP C 75 24.612 10.140 14.431 1.00 0.00 C ATOM 1126 O ASP C 75 25.089 9.681 13.394 1.00 0.00 O ATOM 1127 CB ASP C 75 22.945 8.950 15.867 1.00 0.00 C ATOM 1128 CG ASP C 75 22.392 8.214 14.652 1.00 0.00 C ATOM 1129 OD1 ASP C 75 23.130 8.051 13.694 1.00 0.00 O ATOM 1130 OD2 ASP C 75 21.235 7.827 14.695 1.00 0.00 O1- ATOM 0 H ASP C 75 24.272 10.111 17.579 1.00 0.00 H new ATOM 0 HA ASP C 75 24.980 8.329 15.515 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.810 8.343 16.762 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.391 9.876 16.024 1.00 0.00 H new ATOM 1135 N GLU C 76 24.240 11.411 14.557 1.00 0.00 N ATOM 1136 CA GLU C 76 24.382 12.350 13.449 1.00 0.00 C ATOM 1137 C GLU C 76 25.858 12.550 13.116 1.00 0.00 C ATOM 1138 O GLU C 76 26.233 12.672 11.950 1.00 0.00 O ATOM 1139 CB GLU C 76 23.720 13.687 13.796 1.00 0.00 C ATOM 1140 CG GLU C 76 22.201 13.504 13.835 1.00 0.00 C ATOM 1141 CD GLU C 76 21.522 14.829 14.165 1.00 0.00 C ATOM 1142 OE1 GLU C 76 22.230 15.786 14.421 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.303 14.865 14.154 1.00 0.00 O1- ATOM 0 H GLU C 76 23.842 11.811 15.406 1.00 0.00 H new ATOM 0 HA GLU C 76 23.882 11.938 12.572 1.00 0.00 H new ATOM 0 HB2 GLU C 76 24.080 14.044 14.761 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.988 14.441 13.056 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.847 13.135 12.873 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.936 12.755 14.581 1.00 0.00 H new ATOM 1150 N PHE C 77 26.691 12.570 14.153 1.00 0.00 N ATOM 1151 CA PHE C 77 28.130 12.736 13.975 1.00 0.00 C ATOM 1152 C PHE C 77 28.684 11.646 13.072 1.00 0.00 C ATOM 1153 O PHE C 77 29.441 11.925 12.143 1.00 0.00 O ATOM 1154 CB PHE C 77 28.834 12.688 15.334 1.00 0.00 C ATOM 1155 CG PHE C 77 30.282 12.285 15.153 1.00 0.00 C ATOM 1156 CD1 PHE C 77 31.105 12.998 14.275 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.801 11.192 15.870 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.445 12.623 14.110 1.00 0.00 C ATOM 1159 CE2 PHE C 77 32.142 10.817 15.705 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.963 11.532 14.824 1.00 0.00 C ATOM 0 H PHE C 77 26.394 12.473 15.124 1.00 0.00 H new ATOM 0 HA PHE C 77 28.312 13.704 13.509 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.777 13.664 15.817 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.329 11.978 15.989 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.708 13.838 13.724 1.00 0.00 H new ATOM 0 HD2 PHE C 77 30.166 10.641 16.548 1.00 0.00 H new ATOM 0 HE1 PHE C 77 33.080 13.174 13.432 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.541 9.978 16.256 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.996 11.243 14.694 1.00 0.00 H new ATOM 1170 N LEU C 78 28.310 10.401 13.344 1.00 0.00 N ATOM 1171 CA LEU C 78 28.797 9.291 12.535 1.00 0.00 C ATOM 1172 C LEU C 78 28.338 9.442 11.081 1.00 0.00 C ATOM 1173 O LEU C 78 29.097 9.178 10.149 1.00 0.00 O ATOM 1174 CB LEU C 78 28.276 7.964 13.097 1.00 0.00 C ATOM 1175 CG LEU C 78 28.917 7.688 14.464 1.00 0.00 C ATOM 1176 CD1 LEU C 78 28.273 6.449 15.085 1.00 0.00 C ATOM 1177 CD2 LEU C 78 30.423 7.449 14.307 1.00 0.00 C ATOM 0 H LEU C 78 27.683 10.138 14.104 1.00 0.00 H new ATOM 0 HA LEU C 78 29.887 9.297 12.565 1.00 0.00 H new ATOM 0 HB2 LEU C 78 27.191 8.002 13.195 1.00 0.00 H new ATOM 0 HB3 LEU C 78 28.506 7.152 12.407 1.00 0.00 H new ATOM 0 HG LEU C 78 28.759 8.553 15.109 1.00 0.00 H new ATOM 0 HD11 LEU C 78 28.727 6.251 16.056 1.00 0.00 H new ATOM 0 HD12 LEU C 78 27.204 6.620 15.212 1.00 0.00 H new ATOM 0 HD13 LEU C 78 28.428 5.591 14.430 1.00 0.00 H new ATOM 0 HD21 LEU C 78 30.864 7.255 15.284 1.00 0.00 H new ATOM 0 HD22 LEU C 78 30.589 6.590 13.656 1.00 0.00 H new ATOM 0 HD23 LEU C 78 30.888 8.332 13.868 1.00 0.00 H new ATOM 1189 N VAL C 79 27.092 9.868 10.902 1.00 0.00 N ATOM 1190 CA VAL C 79 26.533 10.053 9.563 1.00 0.00 C ATOM 1191 C VAL C 79 27.253 11.166 8.804 1.00 0.00 C ATOM 1192 O VAL C 79 27.542 11.033 7.614 1.00 0.00 O ATOM 1193 CB VAL C 79 25.043 10.387 9.661 1.00 0.00 C ATOM 1194 CG1 VAL C 79 24.514 10.774 8.281 1.00 0.00 C ATOM 1195 CG2 VAL C 79 24.275 9.168 10.176 1.00 0.00 C ATOM 0 H VAL C 79 26.450 10.092 11.663 1.00 0.00 H new ATOM 0 HA VAL C 79 26.670 9.121 9.015 1.00 0.00 H new ATOM 0 HB VAL C 79 24.906 11.220 10.351 1.00 0.00 H new ATOM 0 HG11 VAL C 79 23.453 11.012 8.352 1.00 0.00 H new ATOM 0 HG12 VAL C 79 25.057 11.645 7.914 1.00 0.00 H new ATOM 0 HG13 VAL C 79 24.654 9.942 7.591 1.00 0.00 H new ATOM 0 HG21 VAL C 79 23.214 9.409 10.245 1.00 0.00 H new ATOM 0 HG22 VAL C 79 24.414 8.333 9.489 1.00 0.00 H new ATOM 0 HG23 VAL C 79 24.649 8.892 11.162 1.00 0.00 H new ATOM 1205 N MET C 80 27.529 12.260 9.502 1.00 0.00 N ATOM 1206 CA MET C 80 28.208 13.398 8.897 1.00 0.00 C ATOM 1207 C MET C 80 29.596 12.990 8.452 1.00 0.00 C ATOM 1208 O MET C 80 30.098 13.436 7.424 1.00 0.00 O ATOM 1209 CB MET C 80 28.305 14.550 9.902 1.00 0.00 C ATOM 1210 CG MET C 80 28.965 15.757 9.231 1.00 0.00 C ATOM 1211 SD MET C 80 28.945 17.173 10.365 1.00 0.00 S ATOM 1212 CE MET C 80 30.146 16.553 11.571 1.00 0.00 C ATOM 0 H MET C 80 27.293 12.383 10.487 1.00 0.00 H new ATOM 0 HA MET C 80 27.635 13.731 8.031 1.00 0.00 H new ATOM 0 HB2 MET C 80 27.311 14.818 10.261 1.00 0.00 H new ATOM 0 HB3 MET C 80 28.886 14.241 10.771 1.00 0.00 H new ATOM 0 HG2 MET C 80 29.991 15.515 8.954 1.00 0.00 H new ATOM 0 HG3 MET C 80 28.437 16.008 8.311 1.00 0.00 H new ATOM 0 HE1 MET C 80 30.571 17.390 12.124 1.00 0.00 H new ATOM 0 HE2 MET C 80 29.648 15.875 12.265 1.00 0.00 H new ATOM 0 HE3 MET C 80 30.942 16.020 11.051 1.00 0.00 H new ATOM 1222 N MET C 81 30.222 12.157 9.254 1.00 0.00 N ATOM 1223 CA MET C 81 31.569 11.707 8.945 1.00 0.00 C ATOM 1224 C MET C 81 31.562 10.733 7.771 1.00 0.00 C ATOM 1225 O MET C 81 32.429 10.794 6.898 1.00 0.00 O ATOM 1226 CB MET C 81 32.175 11.034 10.171 1.00 0.00 C ATOM 1227 CG MET C 81 33.674 11.339 10.231 1.00 0.00 C ATOM 1228 SD MET C 81 34.480 10.754 8.720 1.00 0.00 S ATOM 1229 CE MET C 81 35.697 12.088 8.591 1.00 0.00 C ATOM 0 H MET C 81 29.829 11.779 10.116 1.00 0.00 H new ATOM 0 HA MET C 81 32.169 12.573 8.667 1.00 0.00 H new ATOM 0 HB2 MET C 81 31.684 11.392 11.076 1.00 0.00 H new ATOM 0 HB3 MET C 81 32.014 9.957 10.125 1.00 0.00 H new ATOM 0 HG2 MET C 81 33.832 12.411 10.346 1.00 0.00 H new ATOM 0 HG3 MET C 81 34.118 10.856 11.101 1.00 0.00 H new ATOM 0 HE1 MET C 81 36.319 11.929 7.710 1.00 0.00 H new ATOM 0 HE2 MET C 81 35.181 13.044 8.504 1.00 0.00 H new ATOM 0 HE3 MET C 81 36.325 12.095 9.482 1.00 0.00 H new ATOM 1239 N VAL C 82 30.591 9.828 7.765 1.00 0.00 N ATOM 1240 CA VAL C 82 30.490 8.832 6.703 1.00 0.00 C ATOM 1241 C VAL C 82 30.261 9.490 5.339 1.00 0.00 C ATOM 1242 O VAL C 82 30.934 9.158 4.355 1.00 0.00 O ATOM 1243 CB VAL C 82 29.338 7.871 7.008 1.00 0.00 C ATOM 1244 CG1 VAL C 82 29.090 6.962 5.802 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.695 7.013 8.226 1.00 0.00 C ATOM 0 H VAL C 82 29.865 9.762 8.479 1.00 0.00 H new ATOM 0 HA VAL C 82 31.432 8.284 6.662 1.00 0.00 H new ATOM 0 HB VAL C 82 28.437 8.447 7.218 1.00 0.00 H new ATOM 0 HG11 VAL C 82 28.269 6.280 6.023 1.00 0.00 H new ATOM 0 HG12 VAL C 82 28.832 7.570 4.935 1.00 0.00 H new ATOM 0 HG13 VAL C 82 29.991 6.388 5.588 1.00 0.00 H new ATOM 0 HG21 VAL C 82 28.874 6.329 8.442 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.598 6.441 8.016 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.867 7.658 9.088 1.00 0.00 H new ATOM 1255 N ARG C 83 29.309 10.420 5.276 1.00 0.00 N ATOM 1256 CA ARG C 83 29.018 11.094 4.016 1.00 0.00 C ATOM 1257 C ARG C 83 30.193 11.977 3.612 1.00 0.00 C ATOM 1258 O ARG C 83 30.475 12.151 2.427 1.00 0.00 O ATOM 1259 CB ARG C 83 27.744 11.945 4.133 1.00 0.00 C ATOM 1260 CG ARG C 83 28.018 13.180 4.992 1.00 0.00 C ATOM 1261 CD ARG C 83 26.703 13.886 5.317 1.00 0.00 C ATOM 1262 NE ARG C 83 26.974 15.162 5.966 1.00 0.00 N ATOM 1263 CZ ARG C 83 27.152 16.270 5.250 1.00 0.00 C ATOM 1264 NH1 ARG C 83 27.087 16.227 3.945 1.00 0.00 N ATOM 1265 NH2 ARG C 83 27.403 17.400 5.850 1.00 0.00 N1+ ATOM 0 H ARG C 83 28.737 10.718 6.066 1.00 0.00 H new ATOM 0 HA ARG C 83 28.858 10.334 3.251 1.00 0.00 H new ATOM 0 HB2 ARG C 83 27.407 12.249 3.142 1.00 0.00 H new ATOM 0 HB3 ARG C 83 26.942 11.355 4.575 1.00 0.00 H new ATOM 0 HG2 ARG C 83 28.522 12.889 5.913 1.00 0.00 H new ATOM 0 HG3 ARG C 83 28.686 13.861 4.464 1.00 0.00 H new ATOM 0 HD2 ARG C 83 26.131 14.047 4.403 1.00 0.00 H new ATOM 0 HD3 ARG C 83 26.094 13.259 5.968 1.00 0.00 H new ATOM 0 HE ARG C 83 27.028 15.207 6.984 1.00 0.00 H new ATOM 0 HH11 ARG C 83 26.899 15.343 3.473 1.00 0.00 H new ATOM 0 HH12 ARG C 83 27.224 17.078 3.399 1.00 0.00 H new ATOM 0 HH21 ARG C 83 27.463 17.435 6.868 1.00 0.00 H new ATOM 0 HH22 ARG C 83 27.539 18.249 5.302 1.00 0.00 H new ATOM 1279 N CYS C 84 30.877 12.531 4.610 1.00 0.00 N ATOM 1280 CA CYS C 84 32.022 13.393 4.351 1.00 0.00 C ATOM 1281 C CYS C 84 33.105 12.625 3.609 1.00 0.00 C ATOM 1282 O CYS C 84 33.667 13.117 2.631 1.00 0.00 O ATOM 1283 CB CYS C 84 32.589 13.934 5.665 1.00 0.00 C ATOM 1284 SG CYS C 84 33.986 15.029 5.310 1.00 0.00 S ATOM 0 H CYS C 84 30.659 12.399 5.598 1.00 0.00 H new ATOM 0 HA CYS C 84 31.689 14.228 3.734 1.00 0.00 H new ATOM 0 HB2 CYS C 84 31.817 14.476 6.211 1.00 0.00 H new ATOM 0 HB3 CYS C 84 32.911 13.110 6.302 1.00 0.00 H new ATOM 0 HG CYS C 84 34.926 14.831 6.186 1.00 0.00 H new ATOM 1290 N MET C 85 33.402 11.417 4.079 1.00 0.00 N ATOM 1291 CA MET C 85 34.428 10.606 3.442 1.00 0.00 C ATOM 1292 C MET C 85 34.042 10.314 1.995 1.00 0.00 C ATOM 1293 O MET C 85 34.874 10.419 1.093 1.00 0.00 O ATOM 1294 CB MET C 85 34.619 9.295 4.210 1.00 0.00 C ATOM 1295 CG MET C 85 35.860 8.567 3.685 1.00 0.00 C ATOM 1296 SD MET C 85 37.344 9.499 4.151 1.00 0.00 S ATOM 1297 CE MET C 85 38.547 8.490 3.252 1.00 0.00 C ATOM 0 H MET C 85 32.953 10.985 4.887 1.00 0.00 H new ATOM 0 HA MET C 85 35.368 11.158 3.452 1.00 0.00 H new ATOM 0 HB2 MET C 85 34.728 9.499 5.275 1.00 0.00 H new ATOM 0 HB3 MET C 85 33.738 8.663 4.095 1.00 0.00 H new ATOM 0 HG2 MET C 85 35.906 7.559 4.097 1.00 0.00 H new ATOM 0 HG3 MET C 85 35.805 8.466 2.601 1.00 0.00 H new ATOM 0 HE1 MET C 85 39.548 8.895 3.404 1.00 0.00 H new ATOM 0 HE2 MET C 85 38.510 7.465 3.621 1.00 0.00 H new ATOM 0 HE3 MET C 85 38.309 8.502 2.188 1.00 0.00 H new ATOM 1307 N LYS C 86 32.775 9.961 1.772 1.00 0.00 N ATOM 1308 CA LYS C 86 32.313 9.681 0.412 1.00 0.00 C ATOM 1309 C LYS C 86 32.391 10.931 -0.467 1.00 0.00 C ATOM 1310 O LYS C 86 32.790 10.857 -1.628 1.00 0.00 O ATOM 1311 CB LYS C 86 30.879 9.142 0.431 1.00 0.00 C ATOM 1312 CG LYS C 86 30.881 7.717 0.990 1.00 0.00 C ATOM 1313 CD LYS C 86 29.451 7.173 1.016 1.00 0.00 C ATOM 1314 CE LYS C 86 29.458 5.740 1.555 1.00 0.00 C ATOM 1315 NZ LYS C 86 30.224 4.862 0.623 1.00 0.00 N1+ ATOM 0 H LYS C 86 32.065 9.864 2.497 1.00 0.00 H new ATOM 0 HA LYS C 86 32.971 8.923 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS C 86 30.245 9.784 1.043 1.00 0.00 H new ATOM 0 HB3 LYS C 86 30.462 9.149 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS C 86 31.514 7.076 0.376 1.00 0.00 H new ATOM 0 HG3 LYS C 86 31.301 7.711 1.996 1.00 0.00 H new ATOM 0 HD2 LYS C 86 28.822 7.805 1.643 1.00 0.00 H new ATOM 0 HD3 LYS C 86 29.025 7.193 0.013 1.00 0.00 H new ATOM 0 HE2 LYS C 86 29.908 5.716 2.547 1.00 0.00 H new ATOM 0 HE3 LYS C 86 28.436 5.374 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 29.958 3.870 0.784 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 30.006 5.124 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 31.243 4.979 0.794 1.00 0.00 H new ATOM 1508 N ALA I 152 41.042 17.690 5.515 1.00 0.00 N ATOM 1509 CA ALA I 152 41.020 18.491 6.733 1.00 0.00 C ATOM 1510 C ALA I 152 40.230 17.777 7.823 1.00 0.00 C ATOM 1511 O ALA I 152 40.648 17.743 8.981 1.00 0.00 O ATOM 1512 CB ALA I 152 40.386 19.855 6.451 1.00 0.00 C ATOM 0 HA ALA I 152 42.046 18.633 7.073 1.00 0.00 H new ATOM 0 HB1 ALA I 152 40.374 20.447 7.366 1.00 0.00 H new ATOM 0 HB2 ALA I 152 40.967 20.376 5.690 1.00 0.00 H new ATOM 0 HB3 ALA I 152 39.365 19.715 6.096 1.00 0.00 H new ATOM 1518 N MET I 153 39.093 17.200 7.450 1.00 0.00 N ATOM 1519 CA MET I 153 38.269 16.485 8.416 1.00 0.00 C ATOM 1520 C MET I 153 39.015 15.278 8.971 1.00 0.00 C ATOM 1521 O MET I 153 38.959 15.000 10.168 1.00 0.00 O ATOM 1522 CB MET I 153 36.970 16.011 7.760 1.00 0.00 C ATOM 1523 CG MET I 153 36.043 17.202 7.496 1.00 0.00 C ATOM 1524 SD MET I 153 35.470 17.885 9.073 1.00 0.00 S ATOM 1525 CE MET I 153 34.360 19.140 8.392 1.00 0.00 C ATOM 0 H MET I 153 38.725 17.213 6.499 1.00 0.00 H new ATOM 0 HA MET I 153 38.038 17.170 9.231 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.193 15.500 6.823 1.00 0.00 H new ATOM 0 HB3 MET I 153 36.471 15.289 8.406 1.00 0.00 H new ATOM 0 HG2 MET I 153 36.570 17.967 6.927 1.00 0.00 H new ATOM 0 HG3 MET I 153 35.191 16.887 6.893 1.00 0.00 H new ATOM 0 HE1 MET I 153 33.890 19.691 9.207 1.00 0.00 H new ATOM 0 HE2 MET I 153 34.929 19.829 7.768 1.00 0.00 H new ATOM 0 HE3 MET I 153 33.590 18.657 7.790 1.00 0.00 H new ATOM 1535 N MET I 154 39.706 14.558 8.094 1.00 0.00 N ATOM 1536 CA MET I 154 40.445 13.377 8.517 1.00 0.00 C ATOM 1537 C MET I 154 41.569 13.759 9.473 1.00 0.00 C ATOM 1538 O MET I 154 41.780 13.099 10.489 1.00 0.00 O ATOM 1539 CB MET I 154 41.032 12.669 7.294 1.00 0.00 C ATOM 1540 CG MET I 154 39.898 12.126 6.418 1.00 0.00 C ATOM 1541 SD MET I 154 40.123 10.349 6.170 1.00 0.00 S ATOM 1542 CE MET I 154 38.894 9.797 7.378 1.00 0.00 C ATOM 0 H MET I 154 39.769 14.769 7.098 1.00 0.00 H new ATOM 0 HA MET I 154 39.759 12.707 9.035 1.00 0.00 H new ATOM 0 HB2 MET I 154 41.647 13.363 6.721 1.00 0.00 H new ATOM 0 HB3 MET I 154 41.682 11.853 7.611 1.00 0.00 H new ATOM 0 HG2 MET I 154 38.935 12.319 6.891 1.00 0.00 H new ATOM 0 HG3 MET I 154 39.889 12.640 5.457 1.00 0.00 H new ATOM 0 HE1 MET I 154 38.863 8.708 7.393 1.00 0.00 H new ATOM 0 HE2 MET I 154 39.165 10.166 8.367 1.00 0.00 H new ATOM 0 HE3 MET I 154 37.913 10.184 7.102 1.00 0.00 H new ATOM 1552 N GLN I 155 42.281 14.834 9.149 1.00 0.00 N ATOM 1553 CA GLN I 155 43.374 15.293 9.999 1.00 0.00 C ATOM 1554 C GLN I 155 42.841 15.761 11.347 1.00 0.00 C ATOM 1555 O GLN I 155 43.437 15.490 12.390 1.00 0.00 O ATOM 1556 CB GLN I 155 44.132 16.433 9.315 1.00 0.00 C ATOM 1557 CG GLN I 155 44.938 15.882 8.138 1.00 0.00 C ATOM 1558 CD GLN I 155 46.180 15.160 8.651 1.00 0.00 C ATOM 1559 OE1 GLN I 155 46.404 15.093 9.860 1.00 0.00 O ATOM 1560 NE2 GLN I 155 47.011 14.620 7.802 1.00 0.00 N ATOM 0 H GLN I 155 42.124 15.398 8.314 1.00 0.00 H new ATOM 0 HA GLN I 155 44.057 14.459 10.163 1.00 0.00 H new ATOM 0 HB2 GLN I 155 43.431 17.191 8.965 1.00 0.00 H new ATOM 0 HB3 GLN I 155 44.797 16.920 10.028 1.00 0.00 H new ATOM 0 HG2 GLN I 155 44.323 15.197 7.554 1.00 0.00 H new ATOM 0 HG3 GLN I 155 45.228 16.695 7.473 1.00 0.00 H new ATOM 0 HE21 GLN I 155 46.825 14.676 6.801 1.00 0.00 H new ATOM 0 HE22 GLN I 155 47.846 14.142 8.140 1.00 0.00 H new ATOM 1569 N ALA I 156 41.717 16.467 11.320 1.00 0.00 N ATOM 1570 CA ALA I 156 41.118 16.965 12.550 1.00 0.00 C ATOM 1571 C ALA I 156 40.699 15.813 13.459 1.00 0.00 C ATOM 1572 O ALA I 156 40.901 15.865 14.672 1.00 0.00 O ATOM 1573 CB ALA I 156 39.902 17.831 12.221 1.00 0.00 C ATOM 0 H ALA I 156 41.207 16.705 10.469 1.00 0.00 H new ATOM 0 HA ALA I 156 41.862 17.564 13.075 1.00 0.00 H new ATOM 0 HB1 ALA I 156 39.458 18.201 13.145 1.00 0.00 H new ATOM 0 HB2 ALA I 156 40.212 18.675 11.605 1.00 0.00 H new ATOM 0 HB3 ALA I 156 39.168 17.236 11.678 1.00 0.00 H new