USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 636 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+ -159:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 82 GLN : amide:sc= 1.02 K(o=2.2,f=-3.6) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 177:sc= 1.09 (180deg=0) USER MOD Set 2.2: A 54 THR OG1 : rot 143:sc= 0.935 USER MOD Single : A 16 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 20 ASN : amide:sc= -0.857 X(o=-0.86,f=-0.86) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 168:sc= -0.848 (180deg=-0.986) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 0.433 (180deg=0.155) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.0425 X(o=-0.042,f=-0.36) USER MOD Single : A 35 SER OG : rot 94:sc= 1.28 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= -0.146 (180deg=-0.158) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.773 K(o=0.77,f=-0.63) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -159:sc= -1.33 (180deg=-1.86) USER MOD Single : A 69 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.023) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -4.43 K(o=-4.4,f=-9.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0455) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 10.746 6.443 7.008 1.00 0.00 N ATOM 112 CA LYS A 9 10.836 7.738 6.315 1.00 0.00 C ATOM 113 C LYS A 9 9.659 7.872 5.349 1.00 0.00 C ATOM 114 O LYS A 9 9.354 6.955 4.584 1.00 0.00 O ATOM 115 CB LYS A 9 12.215 7.840 5.647 1.00 0.00 C ATOM 116 CG LYS A 9 12.690 9.291 5.504 1.00 0.00 C ATOM 117 CD LYS A 9 14.132 9.308 4.975 1.00 0.00 C ATOM 118 CE LYS A 9 14.749 10.712 4.985 1.00 0.00 C ATOM 119 NZ LYS A 9 15.307 11.068 6.315 1.00 0.00 N ATOM 0 HA LYS A 9 10.759 8.578 7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.942 7.279 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.174 7.375 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.035 9.834 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.639 9.798 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.745 8.642 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.146 8.916 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.538 10.766 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.991 11.443 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.758 12.003 6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.541 11.092 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.013 10.358 6.597 1.00 0.00 H new ATOM 133 N LEU A 10 9.010 9.029 5.409 1.00 0.00 N ATOM 134 CA LEU A 10 7.666 9.177 4.853 1.00 0.00 C ATOM 135 C LEU A 10 7.470 10.439 4.010 1.00 0.00 C ATOM 136 O LEU A 10 7.881 11.514 4.426 1.00 0.00 O ATOM 137 CB LEU A 10 6.717 9.204 6.063 1.00 0.00 C ATOM 138 CG LEU A 10 5.883 7.944 6.226 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.648 6.634 6.367 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.787 8.058 7.280 1.00 0.00 C ATOM 0 H LEU A 10 9.388 9.875 5.834 1.00 0.00 H new ATOM 0 HA LEU A 10 7.472 8.352 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.304 9.358 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.048 10.060 5.968 1.00 0.00 H new ATOM 0 HG LEU A 10 5.403 7.880 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.942 5.811 6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.260 6.472 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.290 6.681 7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.237 7.119 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.236 8.274 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.104 8.863 7.009 1.00 0.00 H new ATOM 152 N PHE A 11 6.820 10.305 2.857 1.00 0.00 N ATOM 153 CA PHE A 11 6.514 11.370 1.900 1.00 0.00 C ATOM 154 C PHE A 11 5.023 11.751 1.996 1.00 0.00 C ATOM 155 O PHE A 11 4.150 10.888 1.873 1.00 0.00 O ATOM 156 CB PHE A 11 6.887 10.840 0.501 1.00 0.00 C ATOM 157 CG PHE A 11 6.357 11.542 -0.749 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.078 12.926 -0.805 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.165 10.767 -1.912 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.591 13.509 -1.989 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.691 11.350 -3.099 1.00 0.00 C ATOM 162 CZ PHE A 11 5.415 12.724 -3.139 1.00 0.00 C ATOM 0 H PHE A 11 6.472 9.398 2.546 1.00 0.00 H new ATOM 0 HA PHE A 11 7.082 12.276 2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.975 10.838 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.563 9.801 0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.240 13.541 0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.386 9.710 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.352 14.562 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.540 10.741 -3.978 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.067 13.178 -4.055 1.00 0.00 H new ATOM 172 N ILE A 12 4.757 13.052 2.195 1.00 0.00 N ATOM 173 CA ILE A 12 3.404 13.588 2.168 1.00 0.00 C ATOM 174 C ILE A 12 3.365 14.476 0.944 1.00 0.00 C ATOM 175 O ILE A 12 4.253 15.309 0.697 1.00 0.00 O ATOM 176 CB ILE A 12 3.063 14.386 3.445 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.355 13.495 4.474 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.111 15.585 3.239 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.964 12.122 4.741 1.00 0.00 C ATOM 0 H ILE A 12 5.476 13.752 2.378 1.00 0.00 H new ATOM 0 HA ILE A 12 2.663 12.790 2.128 1.00 0.00 H new ATOM 0 HB ILE A 12 4.036 14.751 3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.314 14.036 5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.326 13.350 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.935 16.078 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.562 16.293 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.163 15.231 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.367 11.598 5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.979 11.545 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.982 12.241 5.111 1.00 0.00 H new ATOM 191 N GLY A 13 2.296 14.261 0.197 1.00 0.00 N ATOM 192 CA GLY A 13 2.069 14.871 -1.077 1.00 0.00 C ATOM 193 C GLY A 13 0.896 15.818 -1.004 1.00 0.00 C ATOM 194 O GLY A 13 -0.221 15.433 -0.643 1.00 0.00 O ATOM 0 H GLY A 13 1.544 13.634 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.962 15.411 -1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.879 14.103 -1.827 1.00 0.00 H new ATOM 198 N GLY A 14 1.243 17.046 -1.388 1.00 0.00 N ATOM 199 CA GLY A 14 0.274 18.122 -1.542 1.00 0.00 C ATOM 200 C GLY A 14 0.915 19.460 -1.494 1.00 0.00 C ATOM 201 O GLY A 14 1.429 19.911 -2.509 1.00 0.00 O ATOM 0 H GLY A 14 2.203 17.319 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.250 18.005 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.475 18.051 -0.753 1.00 0.00 H new ATOM 205 N LEU A 15 0.933 20.005 -0.297 1.00 0.00 N ATOM 206 CA LEU A 15 1.674 21.234 0.013 1.00 0.00 C ATOM 207 C LEU A 15 1.367 22.517 -0.698 1.00 0.00 C ATOM 208 O LEU A 15 1.534 23.556 -0.081 1.00 0.00 O ATOM 209 CB LEU A 15 3.153 20.963 -0.238 1.00 0.00 C ATOM 210 CG LEU A 15 3.826 19.921 0.640 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.361 20.053 2.061 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.414 18.539 0.175 1.00 0.00 C ATOM 0 H LEU A 15 0.434 19.614 0.502 1.00 0.00 H new ATOM 0 HA LEU A 15 1.359 21.426 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.269 20.655 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.693 21.903 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 15 4.904 20.067 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.853 19.299 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.611 21.046 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.281 19.910 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.894 17.786 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.331 18.437 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.720 18.398 -0.861 1.00 0.00 H new ATOM 224 N ASN A 16 0.827 22.428 -1.895 1.00 0.00 N ATOM 225 CA ASN A 16 0.186 23.400 -2.739 1.00 0.00 C ATOM 226 C ASN A 16 0.743 24.843 -2.682 1.00 0.00 C ATOM 227 O ASN A 16 0.037 25.813 -2.964 1.00 0.00 O ATOM 228 CB ASN A 16 -1.257 23.219 -2.285 1.00 0.00 C ATOM 229 CG ASN A 16 -2.309 24.054 -2.994 1.00 0.00 C ATOM 230 OD1 ASN A 16 -2.343 24.158 -4.215 1.00 0.00 O ATOM 231 ND2 ASN A 16 -3.231 24.625 -2.251 1.00 0.00 N ATOM 0 H ASN A 16 0.833 21.523 -2.366 1.00 0.00 H new ATOM 0 HA ASN A 16 0.350 23.241 -3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.521 22.168 -2.404 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.308 23.442 -1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.981 25.159 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.196 24.534 -1.236 1.00 0.00 H new ATOM 238 N ARG A 17 2.020 24.981 -2.292 1.00 0.00 N ATOM 239 CA ARG A 17 2.671 26.228 -1.862 1.00 0.00 C ATOM 240 C ARG A 17 1.822 26.968 -0.797 1.00 0.00 C ATOM 241 O ARG A 17 1.843 28.196 -0.705 1.00 0.00 O ATOM 242 CB ARG A 17 3.111 27.043 -3.096 1.00 0.00 C ATOM 243 CG ARG A 17 4.373 26.495 -3.796 1.00 0.00 C ATOM 244 CD ARG A 17 4.359 25.047 -4.334 1.00 0.00 C ATOM 245 NE ARG A 17 3.185 24.744 -5.169 1.00 0.00 N ATOM 246 CZ ARG A 17 2.599 23.567 -5.272 1.00 0.00 C ATOM 247 NH1 ARG A 17 2.975 22.525 -4.590 1.00 0.00 N ATOM 248 NH2 ARG A 17 1.599 23.369 -6.073 1.00 0.00 N ATOM 0 H ARG A 17 2.658 24.186 -2.267 1.00 0.00 H new ATOM 0 HA ARG A 17 3.599 26.020 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.291 27.066 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.296 28.073 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.598 27.155 -4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.202 26.577 -3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.264 24.875 -4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.385 24.355 -3.493 1.00 0.00 H new ATOM 0 HE ARG A 17 2.791 25.510 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.757 22.597 -3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.488 21.636 -4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.245 24.135 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.167 22.447 -6.131 1.00 0.00 H new ATOM 262 N GLU A 18 1.068 26.211 0.012 1.00 0.00 N ATOM 263 CA GLU A 18 0.072 26.623 0.966 1.00 0.00 C ATOM 264 C GLU A 18 0.447 26.169 2.396 1.00 0.00 C ATOM 265 O GLU A 18 0.582 27.041 3.256 1.00 0.00 O ATOM 266 CB GLU A 18 -1.170 25.923 0.466 1.00 0.00 C ATOM 267 CG GLU A 18 -2.427 26.334 1.182 1.00 0.00 C ATOM 268 CD GLU A 18 -2.904 27.752 0.818 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.657 27.914 -0.172 1.00 0.00 O ATOM 270 OE2 GLU A 18 -2.526 28.723 1.517 1.00 0.00 O ATOM 0 H GLU A 18 1.163 25.196 0.000 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.044 27.704 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.286 26.126 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.037 24.846 0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.218 25.622 0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.257 26.281 2.257 1.00 0.00 H new ATOM 277 N THR A 19 0.676 24.860 2.667 1.00 0.00 N ATOM 278 CA THR A 19 1.099 24.416 4.027 1.00 0.00 C ATOM 279 C THR A 19 2.550 23.927 4.176 1.00 0.00 C ATOM 280 O THR A 19 3.295 23.850 3.197 1.00 0.00 O ATOM 281 CB THR A 19 0.082 23.445 4.606 1.00 0.00 C ATOM 282 OG1 THR A 19 0.130 23.473 6.017 1.00 0.00 O ATOM 283 CG2 THR A 19 0.295 22.014 4.133 1.00 0.00 C ATOM 0 H THR A 19 0.579 24.108 1.985 1.00 0.00 H new ATOM 0 HA THR A 19 1.112 25.326 4.627 1.00 0.00 H new ATOM 0 HB THR A 19 -0.895 23.772 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.530 22.846 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.460 21.367 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.212 21.974 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.286 21.675 4.434 1.00 0.00 H new ATOM 291 N ASN A 20 2.943 23.599 5.421 1.00 0.00 N ATOM 292 CA ASN A 20 4.368 23.411 5.772 1.00 0.00 C ATOM 293 C ASN A 20 4.518 22.624 7.088 1.00 0.00 C ATOM 294 O ASN A 20 3.627 21.857 7.441 1.00 0.00 O ATOM 295 CB ASN A 20 5.093 24.783 5.890 1.00 0.00 C ATOM 296 CG ASN A 20 5.136 25.638 4.634 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.393 26.597 4.480 1.00 0.00 O ATOM 298 ND2 ASN A 20 6.046 25.353 3.727 1.00 0.00 N ATOM 0 H ASN A 20 2.299 23.459 6.199 1.00 0.00 H new ATOM 0 HA ASN A 20 4.831 22.835 4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.607 25.359 6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.118 24.601 6.214 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.133 25.933 2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.664 24.552 3.859 1.00 0.00 H new ATOM 305 N GLU A 21 5.628 22.753 7.839 1.00 0.00 N ATOM 306 CA GLU A 21 5.870 21.938 9.055 1.00 0.00 C ATOM 307 C GLU A 21 4.734 21.894 10.126 1.00 0.00 C ATOM 308 O GLU A 21 4.642 21.036 11.013 1.00 0.00 O ATOM 309 CB GLU A 21 7.283 22.187 9.596 1.00 0.00 C ATOM 310 CG GLU A 21 7.636 21.508 10.923 1.00 0.00 C ATOM 311 CD GLU A 21 8.959 22.042 11.500 1.00 0.00 C ATOM 312 OE1 GLU A 21 8.925 23.031 12.272 1.00 0.00 O ATOM 313 OE2 GLU A 21 10.036 21.484 11.190 1.00 0.00 O ATOM 0 H GLU A 21 6.376 23.414 7.628 1.00 0.00 H new ATOM 0 HA GLU A 21 5.823 20.901 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.999 21.858 8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.418 23.262 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.833 21.673 11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.713 20.431 10.772 1.00 0.00 H new ATOM 320 N LYS A 22 3.848 22.855 9.913 1.00 0.00 N ATOM 321 CA LYS A 22 2.586 22.883 10.674 1.00 0.00 C ATOM 322 C LYS A 22 1.863 21.569 10.445 1.00 0.00 C ATOM 323 O LYS A 22 1.691 20.750 11.352 1.00 0.00 O ATOM 324 CB LYS A 22 1.823 24.106 10.152 1.00 0.00 C ATOM 325 CG LYS A 22 0.474 24.307 10.846 1.00 0.00 C ATOM 326 CD LYS A 22 0.374 25.697 11.452 1.00 0.00 C ATOM 327 CE LYS A 22 1.044 25.558 12.801 1.00 0.00 C ATOM 328 NZ LYS A 22 1.820 26.763 13.191 1.00 0.00 N ATOM 0 H LYS A 22 3.964 23.612 9.240 1.00 0.00 H new ATOM 0 HA LYS A 22 2.712 22.977 11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.435 24.997 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.661 23.997 9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.333 24.160 10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.347 23.556 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.876 26.440 10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.664 26.015 11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.286 25.360 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.709 24.695 12.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.256 26.609 14.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.564 26.940 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.185 27.585 13.238 1.00 0.00 H new ATOM 342 N MET A 23 1.590 21.402 9.144 1.00 0.00 N ATOM 343 CA MET A 23 1.062 20.159 8.638 1.00 0.00 C ATOM 344 C MET A 23 1.988 19.037 9.043 1.00 0.00 C ATOM 345 O MET A 23 1.526 17.928 9.210 1.00 0.00 O ATOM 346 CB MET A 23 0.989 20.226 7.095 1.00 0.00 C ATOM 347 CG MET A 23 2.036 19.411 6.358 1.00 0.00 C ATOM 348 SD MET A 23 1.944 18.992 4.613 1.00 0.00 S ATOM 349 CE MET A 23 0.234 18.493 4.354 1.00 0.00 C ATOM 0 H MET A 23 1.731 22.121 8.434 1.00 0.00 H new ATOM 0 HA MET A 23 0.065 19.985 9.043 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.002 19.888 6.780 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.082 21.268 6.789 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.981 19.936 6.495 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.117 18.465 6.894 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.033 18.425 3.285 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.064 17.521 4.818 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.432 19.230 4.802 1.00 0.00 H new ATOM 359 N LEU A 24 3.307 19.247 9.006 1.00 0.00 N ATOM 360 CA LEU A 24 4.223 18.136 9.214 1.00 0.00 C ATOM 361 C LEU A 24 3.961 17.419 10.523 1.00 0.00 C ATOM 362 O LEU A 24 3.419 16.308 10.568 1.00 0.00 O ATOM 363 CB LEU A 24 5.685 18.567 9.112 1.00 0.00 C ATOM 364 CG LEU A 24 6.263 18.744 7.702 1.00 0.00 C ATOM 365 CD1 LEU A 24 6.441 17.408 7.143 1.00 0.00 C ATOM 366 CD2 LEU A 24 5.444 19.338 6.584 1.00 0.00 C ATOM 0 H LEU A 24 3.749 20.151 8.839 1.00 0.00 H new ATOM 0 HA LEU A 24 4.032 17.429 8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.798 19.511 9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.293 17.830 9.637 1.00 0.00 H new ATOM 0 HG LEU A 24 7.098 19.411 7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.852 17.487 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.126 16.839 7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.478 16.899 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.042 19.372 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.560 18.723 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.137 20.348 6.855 1.00 0.00 H new ATOM 378 N LYS A 25 4.341 18.081 11.612 1.00 0.00 N ATOM 379 CA LYS A 25 4.127 17.523 12.939 1.00 0.00 C ATOM 380 C LYS A 25 2.676 17.176 13.173 1.00 0.00 C ATOM 381 O LYS A 25 2.416 16.134 13.769 1.00 0.00 O ATOM 382 CB LYS A 25 4.688 18.450 13.987 1.00 0.00 C ATOM 383 CG LYS A 25 6.233 18.473 13.799 1.00 0.00 C ATOM 384 CD LYS A 25 7.056 18.031 15.015 1.00 0.00 C ATOM 385 CE LYS A 25 7.485 16.550 14.952 1.00 0.00 C ATOM 386 NZ LYS A 25 8.204 16.157 16.196 1.00 0.00 N ATOM 0 H LYS A 25 4.794 18.995 11.601 1.00 0.00 H new ATOM 0 HA LYS A 25 4.669 16.580 13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.272 19.451 13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.427 18.104 14.987 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.488 17.829 12.957 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.533 19.485 13.529 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.945 18.657 15.091 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.472 18.195 15.920 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.608 15.917 14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.129 16.389 14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.871 15.388 15.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.727 16.975 16.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.517 15.833 16.906 1.00 0.00 H new ATOM 400 N ALA A 26 1.757 17.969 12.618 1.00 0.00 N ATOM 401 CA ALA A 26 0.359 17.617 12.597 1.00 0.00 C ATOM 402 C ALA A 26 0.087 16.208 11.999 1.00 0.00 C ATOM 403 O ALA A 26 -0.049 15.190 12.688 1.00 0.00 O ATOM 404 CB ALA A 26 -0.343 18.710 11.763 1.00 0.00 C ATOM 0 H ALA A 26 1.971 18.864 12.177 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.022 17.566 13.617 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.411 18.498 11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.189 19.681 12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.074 18.724 10.756 1.00 0.00 H new ATOM 410 N VAL A 27 0.034 16.207 10.663 1.00 0.00 N ATOM 411 CA VAL A 27 -0.375 15.042 9.869 1.00 0.00 C ATOM 412 C VAL A 27 0.323 13.786 10.301 1.00 0.00 C ATOM 413 O VAL A 27 -0.300 12.762 10.562 1.00 0.00 O ATOM 414 CB VAL A 27 0.016 15.329 8.391 1.00 0.00 C ATOM 415 CG1 VAL A 27 0.195 14.190 7.400 1.00 0.00 C ATOM 416 CG2 VAL A 27 -0.914 16.331 7.792 1.00 0.00 C ATOM 0 H VAL A 27 0.275 17.021 10.097 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.446 14.890 10.000 1.00 0.00 H new ATOM 0 HB VAL A 27 1.037 15.683 8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.466 14.595 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.985 13.525 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.738 13.632 7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.627 16.521 6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.933 15.945 7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.862 17.260 8.359 1.00 0.00 H new ATOM 426 N PHE A 28 1.641 13.873 10.293 1.00 0.00 N ATOM 427 CA PHE A 28 2.476 12.765 10.653 1.00 0.00 C ATOM 428 C PHE A 28 2.409 12.408 12.126 1.00 0.00 C ATOM 429 O PHE A 28 2.215 11.244 12.478 1.00 0.00 O ATOM 430 CB PHE A 28 3.877 13.080 10.155 1.00 0.00 C ATOM 431 CG PHE A 28 4.118 13.302 8.660 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.797 14.528 8.038 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.871 12.363 7.934 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.309 14.852 6.776 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.437 12.719 6.699 1.00 0.00 C ATOM 436 CZ PHE A 28 5.202 13.985 6.142 1.00 0.00 C ATOM 0 H PHE A 28 2.152 14.717 10.036 1.00 0.00 H new ATOM 0 HA PHE A 28 2.115 11.855 10.174 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.214 13.976 10.676 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.526 12.264 10.472 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.147 15.227 8.543 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.014 11.367 8.326 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.014 15.772 6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.060 12.011 6.173 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.705 14.285 5.235 1.00 0.00 H new ATOM 446 N GLY A 29 2.615 13.393 13.001 1.00 0.00 N ATOM 447 CA GLY A 29 2.491 13.150 14.426 1.00 0.00 C ATOM 448 C GLY A 29 1.171 12.578 14.894 1.00 0.00 C ATOM 449 O GLY A 29 1.113 12.081 16.021 1.00 0.00 O ATOM 0 H GLY A 29 2.864 14.349 12.748 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.286 12.468 14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.662 14.090 14.950 1.00 0.00 H new ATOM 453 N LYS A 30 0.115 12.642 14.066 1.00 0.00 N ATOM 454 CA LYS A 30 -1.224 12.146 14.473 1.00 0.00 C ATOM 455 C LYS A 30 -1.198 10.742 15.072 1.00 0.00 C ATOM 456 O LYS A 30 -1.894 10.439 16.044 1.00 0.00 O ATOM 457 CB LYS A 30 -2.191 12.139 13.293 1.00 0.00 C ATOM 458 CG LYS A 30 -2.834 13.511 13.304 1.00 0.00 C ATOM 459 CD LYS A 30 -3.661 13.874 12.077 1.00 0.00 C ATOM 460 CE LYS A 30 -4.020 15.357 12.199 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.150 15.598 13.139 1.00 0.00 N ATOM 0 H LYS A 30 0.154 13.026 13.122 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.559 12.840 15.244 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.667 11.956 12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.938 11.352 13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.475 13.582 14.183 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.048 14.257 13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.096 13.688 11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.562 13.263 12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.145 15.912 12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.282 15.746 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.352 16.617 13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.994 15.092 12.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.893 15.253 14.086 1.00 0.00 H new ATOM 475 N HIS A 31 -0.345 9.929 14.464 1.00 0.00 N ATOM 476 CA HIS A 31 -0.131 8.545 14.899 1.00 0.00 C ATOM 477 C HIS A 31 1.327 8.182 15.257 1.00 0.00 C ATOM 478 O HIS A 31 1.645 6.991 15.306 1.00 0.00 O ATOM 479 CB HIS A 31 -0.801 7.588 13.882 1.00 0.00 C ATOM 480 CG HIS A 31 -2.054 6.916 14.394 1.00 0.00 C ATOM 481 ND1 HIS A 31 -2.976 7.456 15.266 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.511 5.670 14.051 1.00 0.00 C ATOM 483 CE1 HIS A 31 -3.959 6.558 15.447 1.00 0.00 C ATOM 484 NE2 HIS A 31 -3.718 5.445 14.732 1.00 0.00 N ATOM 0 H HIS A 31 0.218 10.203 13.659 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.620 8.423 15.865 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.046 8.149 12.980 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.082 6.820 13.595 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.921 8.378 15.699 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.027 4.981 13.375 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -4.822 6.709 16.078 1.00 0.00 H new ATOM 492 N GLY A 32 2.242 9.117 15.566 1.00 0.00 N ATOM 493 CA GLY A 32 3.527 8.739 16.135 1.00 0.00 C ATOM 494 C GLY A 32 4.507 9.856 16.505 1.00 0.00 C ATOM 495 O GLY A 32 4.248 11.036 16.274 1.00 0.00 O ATOM 0 H GLY A 32 2.111 10.119 15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.335 8.153 17.034 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.025 8.079 15.425 1.00 0.00 H new ATOM 499 N PRO A 33 5.649 9.469 17.088 1.00 0.00 N ATOM 500 CA PRO A 33 6.816 10.310 17.318 1.00 0.00 C ATOM 501 C PRO A 33 7.657 10.545 16.051 1.00 0.00 C ATOM 502 O PRO A 33 7.903 9.637 15.261 1.00 0.00 O ATOM 503 CB PRO A 33 7.644 9.538 18.352 1.00 0.00 C ATOM 504 CG PRO A 33 7.293 8.075 18.059 1.00 0.00 C ATOM 505 CD PRO A 33 5.807 8.193 17.753 1.00 0.00 C ATOM 0 HA PRO A 33 6.510 11.303 17.646 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.711 9.727 18.236 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.379 9.819 19.371 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.858 7.675 17.217 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.489 7.424 18.911 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.471 7.374 17.116 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.214 8.150 18.666 1.00 0.00 H new ATOM 513 N ILE A 34 8.224 11.744 15.934 1.00 0.00 N ATOM 514 CA ILE A 34 8.857 12.205 14.683 1.00 0.00 C ATOM 515 C ILE A 34 10.188 12.860 15.057 1.00 0.00 C ATOM 516 O ILE A 34 10.217 13.870 15.766 1.00 0.00 O ATOM 517 CB ILE A 34 7.937 13.127 13.853 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.947 12.392 12.944 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.755 14.074 12.957 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.676 12.001 13.677 1.00 0.00 C ATOM 0 H ILE A 34 8.262 12.425 16.693 1.00 0.00 H new ATOM 0 HA ILE A 34 9.041 11.357 14.023 1.00 0.00 H new ATOM 0 HB ILE A 34 7.369 13.672 14.607 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.694 13.028 12.096 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.422 11.497 12.541 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.078 14.710 12.386 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.400 14.696 13.578 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.367 13.488 12.272 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.005 11.483 12.991 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.924 11.342 14.509 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.185 12.897 14.057 1.00 0.00 H new ATOM 532 N SER A 35 11.273 12.159 14.730 1.00 0.00 N ATOM 533 CA SER A 35 12.643 12.488 15.100 1.00 0.00 C ATOM 534 C SER A 35 13.191 13.599 14.205 1.00 0.00 C ATOM 535 O SER A 35 13.992 14.415 14.665 1.00 0.00 O ATOM 536 CB SER A 35 13.513 11.236 14.913 1.00 0.00 C ATOM 537 OG SER A 35 14.704 11.317 15.669 1.00 0.00 O ATOM 0 H SER A 35 11.214 11.306 14.173 1.00 0.00 H new ATOM 0 HA SER A 35 12.660 12.826 16.136 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.950 10.352 15.212 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.758 11.116 13.858 1.00 0.00 H new ATOM 0 HG SER A 35 14.572 10.878 16.535 1.00 0.00 H new ATOM 543 N GLU A 36 12.735 13.665 12.941 1.00 0.00 N ATOM 544 CA GLU A 36 13.259 14.642 11.976 1.00 0.00 C ATOM 545 C GLU A 36 12.227 15.079 10.927 1.00 0.00 C ATOM 546 O GLU A 36 11.333 14.309 10.572 1.00 0.00 O ATOM 547 CB GLU A 36 14.498 14.099 11.232 1.00 0.00 C ATOM 548 CG GLU A 36 15.750 13.894 12.093 1.00 0.00 C ATOM 549 CD GLU A 36 16.973 13.550 11.219 1.00 0.00 C ATOM 550 OE1 GLU A 36 17.159 12.360 10.866 1.00 0.00 O ATOM 551 OE2 GLU A 36 17.760 14.469 10.883 1.00 0.00 O ATOM 0 H GLU A 36 12.008 13.055 12.567 1.00 0.00 H new ATOM 0 HA GLU A 36 13.527 15.509 12.579 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.235 13.146 10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.744 14.786 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.952 14.798 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.575 13.093 12.811 1.00 0.00 H new ATOM 558 N VAL A 37 12.386 16.302 10.400 1.00 0.00 N ATOM 559 CA VAL A 37 11.430 16.956 9.490 1.00 0.00 C ATOM 560 C VAL A 37 12.114 17.609 8.286 1.00 0.00 C ATOM 561 O VAL A 37 13.139 18.282 8.415 1.00 0.00 O ATOM 562 CB VAL A 37 10.575 18.017 10.211 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.497 18.518 9.241 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.898 17.503 11.490 1.00 0.00 C ATOM 0 H VAL A 37 13.203 16.879 10.599 1.00 0.00 H new ATOM 0 HA VAL A 37 10.783 16.155 9.133 1.00 0.00 H new ATOM 0 HB VAL A 37 11.250 18.816 10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.883 19.270 9.736 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.972 18.958 8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.869 17.683 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.315 18.306 11.941 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.239 16.670 11.244 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.659 17.168 12.195 1.00 0.00 H new ATOM 574 N LEU A 38 11.530 17.386 7.111 1.00 0.00 N ATOM 575 CA LEU A 38 11.985 17.788 5.787 1.00 0.00 C ATOM 576 C LEU A 38 10.840 18.377 4.929 1.00 0.00 C ATOM 577 O LEU A 38 9.732 17.845 4.890 1.00 0.00 O ATOM 578 CB LEU A 38 12.591 16.568 5.087 1.00 0.00 C ATOM 579 CG LEU A 38 13.282 16.877 3.756 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.519 17.719 3.965 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.788 15.602 3.111 1.00 0.00 C ATOM 0 H LEU A 38 10.649 16.874 7.059 1.00 0.00 H new ATOM 0 HA LEU A 38 12.731 18.574 5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.313 16.102 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.802 15.837 4.911 1.00 0.00 H new ATOM 0 HG LEU A 38 12.542 17.390 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.988 17.922 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.242 18.660 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.220 17.183 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.276 15.841 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.502 15.117 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.950 14.930 2.926 1.00 0.00 H new ATOM 593 N LEU A 39 11.099 19.484 4.238 1.00 0.00 N ATOM 594 CA LEU A 39 10.234 20.034 3.181 1.00 0.00 C ATOM 595 C LEU A 39 11.118 20.166 1.929 1.00 0.00 C ATOM 596 O LEU A 39 12.257 20.619 2.033 1.00 0.00 O ATOM 597 CB LEU A 39 9.625 21.400 3.567 1.00 0.00 C ATOM 598 CG LEU A 39 8.414 21.532 4.509 1.00 0.00 C ATOM 599 CD1 LEU A 39 7.166 20.924 3.869 1.00 0.00 C ATOM 600 CD2 LEU A 39 8.619 20.968 5.909 1.00 0.00 C ATOM 0 H LEU A 39 11.937 20.043 4.397 1.00 0.00 H new ATOM 0 HA LEU A 39 9.384 19.373 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.430 21.986 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.349 21.893 2.635 1.00 0.00 H new ATOM 0 HG LEU A 39 8.283 22.605 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.321 21.027 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.946 21.443 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.340 19.868 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.711 21.109 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.847 19.904 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.447 21.487 6.393 1.00 0.00 H new ATOM 612 N ILE A 40 10.633 19.762 0.752 1.00 0.00 N ATOM 613 CA ILE A 40 11.488 19.627 -0.444 1.00 0.00 C ATOM 614 C ILE A 40 11.222 20.793 -1.384 1.00 0.00 C ATOM 615 O ILE A 40 10.053 21.141 -1.625 1.00 0.00 O ATOM 616 CB ILE A 40 11.157 18.315 -1.179 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.398 17.042 -0.346 1.00 0.00 C ATOM 618 CG2 ILE A 40 11.942 18.261 -2.499 1.00 0.00 C ATOM 619 CD1 ILE A 40 12.835 16.830 0.112 1.00 0.00 C ATOM 0 H ILE A 40 9.654 19.521 0.595 1.00 0.00 H new ATOM 0 HA ILE A 40 12.534 19.621 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 40 10.084 18.327 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.754 17.075 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.090 16.178 -0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.710 17.333 -3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.663 19.110 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.011 18.302 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.900 15.908 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.488 16.760 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.147 17.670 0.732 1.00 0.00 H new ATOM 631 N LYS A 41 12.368 21.344 -1.815 1.00 0.00 N ATOM 632 CA LYS A 41 12.418 22.573 -2.625 1.00 0.00 C ATOM 633 C LYS A 41 13.413 22.392 -3.807 1.00 0.00 C ATOM 634 O LYS A 41 13.430 21.352 -4.465 1.00 0.00 O ATOM 635 CB LYS A 41 12.754 23.778 -1.707 1.00 0.00 C ATOM 636 CG LYS A 41 11.902 23.848 -0.428 1.00 0.00 C ATOM 637 CD LYS A 41 11.877 25.254 0.187 1.00 0.00 C ATOM 638 CE LYS A 41 10.934 25.258 1.398 1.00 0.00 C ATOM 639 NZ LYS A 41 10.751 26.630 1.942 1.00 0.00 N ATOM 0 H LYS A 41 13.287 20.950 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 41 11.447 22.779 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.806 23.726 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.619 24.700 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.883 23.537 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.293 23.142 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.881 25.549 0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.542 25.982 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.966 24.848 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.336 24.608 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.108 26.597 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.672 27.011 2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.345 27.244 1.207 1.00 0.00 H new ATOM 653 N ASP A 42 14.226 23.412 -4.076 1.00 0.00 N ATOM 654 CA ASP A 42 15.114 23.637 -5.239 1.00 0.00 C ATOM 655 C ASP A 42 16.048 24.797 -4.865 1.00 0.00 C ATOM 656 O ASP A 42 15.598 25.645 -4.111 1.00 0.00 O ATOM 657 CB ASP A 42 14.311 23.979 -6.509 1.00 0.00 C ATOM 658 CG ASP A 42 13.026 24.845 -6.400 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.354 24.892 -5.342 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.697 25.530 -7.396 1.00 0.00 O ATOM 0 H ASP A 42 14.293 24.190 -3.420 1.00 0.00 H new ATOM 0 HA ASP A 42 15.677 22.731 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.989 24.487 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.029 23.037 -6.979 1.00 0.00 H new ATOM 665 N ARG A 43 17.322 24.885 -5.293 1.00 0.00 N ATOM 666 CA ARG A 43 18.395 25.811 -4.791 1.00 0.00 C ATOM 667 C ARG A 43 18.690 25.703 -3.283 1.00 0.00 C ATOM 668 O ARG A 43 19.782 26.106 -2.900 1.00 0.00 O ATOM 669 CB ARG A 43 18.062 27.288 -5.179 1.00 0.00 C ATOM 670 CG ARG A 43 18.624 28.414 -4.282 1.00 0.00 C ATOM 671 CD ARG A 43 18.064 29.846 -4.385 1.00 0.00 C ATOM 672 NE ARG A 43 18.619 30.571 -3.228 1.00 0.00 N ATOM 673 CZ ARG A 43 17.978 31.184 -2.253 1.00 0.00 C ATOM 674 NH1 ARG A 43 16.752 31.602 -2.332 1.00 0.00 N ATOM 675 NH2 ARG A 43 18.591 31.426 -1.141 1.00 0.00 N ATOM 0 H ARG A 43 17.666 24.283 -6.042 1.00 0.00 H new ATOM 0 HA ARG A 43 19.311 25.488 -5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 43 18.423 27.457 -6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 43 16.977 27.391 -5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 43 18.501 28.094 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.696 28.473 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.361 30.317 -5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.974 29.844 -4.361 1.00 0.00 H new ATOM 0 HE ARG A 43 19.637 30.603 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.220 31.463 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.320 32.069 -1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.564 31.143 -1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.102 31.900 -0.382 1.00 0.00 H new ATOM 689 N THR A 44 17.803 25.021 -2.540 1.00 0.00 N ATOM 690 CA THR A 44 17.727 25.158 -1.064 1.00 0.00 C ATOM 691 C THR A 44 16.724 26.296 -0.723 1.00 0.00 C ATOM 692 O THR A 44 16.376 26.430 0.449 1.00 0.00 O ATOM 693 CB THR A 44 19.072 25.312 -0.310 1.00 0.00 C ATOM 694 OG1 THR A 44 18.985 24.686 0.956 1.00 0.00 O ATOM 695 CG2 THR A 44 19.488 26.776 -0.100 1.00 0.00 C ATOM 0 H THR A 44 17.125 24.367 -2.932 1.00 0.00 H new ATOM 0 HA THR A 44 17.371 24.198 -0.689 1.00 0.00 H new ATOM 0 HB THR A 44 19.829 24.840 -0.936 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.838 24.784 1.429 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.438 26.811 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.597 27.266 -1.068 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.725 27.291 0.483 1.00 0.00 H new ATOM 703 N SER A 45 16.155 26.928 -1.789 1.00 0.00 N ATOM 704 CA SER A 45 14.995 27.847 -1.679 1.00 0.00 C ATOM 705 C SER A 45 14.566 28.663 -2.945 1.00 0.00 C ATOM 706 O SER A 45 13.967 29.732 -2.816 1.00 0.00 O ATOM 707 CB SER A 45 14.923 28.693 -0.405 1.00 0.00 C ATOM 708 OG SER A 45 16.102 29.450 -0.208 1.00 0.00 O ATOM 0 H SER A 45 16.491 26.812 -2.745 1.00 0.00 H new ATOM 0 HA SER A 45 14.221 27.084 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.066 29.364 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.761 28.042 0.454 1.00 0.00 H new ATOM 0 HG SER A 45 16.018 29.978 0.613 1.00 0.00 H new ATOM 714 N LYS A 46 14.849 28.206 -4.184 1.00 0.00 N ATOM 715 CA LYS A 46 14.123 28.693 -5.407 1.00 0.00 C ATOM 716 C LYS A 46 12.587 28.615 -5.103 1.00 0.00 C ATOM 717 O LYS A 46 11.847 29.558 -5.391 1.00 0.00 O ATOM 718 CB LYS A 46 14.522 27.884 -6.659 1.00 0.00 C ATOM 719 CG LYS A 46 15.745 28.372 -7.477 1.00 0.00 C ATOM 720 CD LYS A 46 16.363 27.195 -8.263 1.00 0.00 C ATOM 721 CE LYS A 46 17.470 27.520 -9.294 1.00 0.00 C ATOM 722 NZ LYS A 46 18.850 27.638 -8.753 1.00 0.00 N ATOM 0 H LYS A 46 15.566 27.507 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 46 14.397 29.724 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.716 26.858 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.662 27.856 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.440 29.159 -8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.490 28.804 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.774 26.489 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.557 26.682 -8.787 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.466 26.743 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.214 28.457 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.516 27.806 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.894 28.433 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.107 26.758 -8.263 1.00 0.00 H new ATOM 736 N SER A 47 12.202 27.523 -4.405 1.00 0.00 N ATOM 737 CA SER A 47 10.924 27.444 -3.663 1.00 0.00 C ATOM 738 C SER A 47 9.650 26.822 -4.274 1.00 0.00 C ATOM 739 O SER A 47 8.797 27.493 -4.864 1.00 0.00 O ATOM 740 CB SER A 47 10.599 28.714 -2.861 1.00 0.00 C ATOM 741 OG SER A 47 9.920 28.353 -1.669 1.00 0.00 O ATOM 0 H SER A 47 12.766 26.675 -4.340 1.00 0.00 H new ATOM 0 HA SER A 47 11.223 26.620 -3.015 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.516 29.252 -2.622 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.981 29.386 -3.456 1.00 0.00 H new ATOM 0 HG SER A 47 9.712 29.160 -1.154 1.00 0.00 H new ATOM 747 N ARG A 48 9.520 25.501 -4.039 1.00 0.00 N ATOM 748 CA ARG A 48 8.325 24.662 -4.133 1.00 0.00 C ATOM 749 C ARG A 48 8.138 23.981 -2.762 1.00 0.00 C ATOM 750 O ARG A 48 8.827 24.316 -1.799 1.00 0.00 O ATOM 751 CB ARG A 48 8.328 23.743 -5.346 1.00 0.00 C ATOM 752 CG ARG A 48 9.232 22.553 -5.145 1.00 0.00 C ATOM 753 CD ARG A 48 9.117 21.643 -6.341 1.00 0.00 C ATOM 754 NE ARG A 48 7.980 20.711 -6.260 1.00 0.00 N ATOM 755 CZ ARG A 48 7.842 19.526 -6.823 1.00 0.00 C ATOM 756 NH1 ARG A 48 8.762 18.946 -7.534 1.00 0.00 N ATOM 757 NH2 ARG A 48 6.744 18.862 -6.667 1.00 0.00 N ATOM 0 H ARG A 48 10.329 24.950 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 48 7.437 25.263 -4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.313 23.399 -5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.652 24.301 -6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.264 22.881 -5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.954 22.018 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.017 22.249 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.039 21.071 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 48 7.193 21.024 -5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.658 19.410 -7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.588 18.027 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.986 19.254 -6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.636 17.946 -7.102 1.00 0.00 H new ATOM 771 N GLY A 49 7.154 23.102 -2.647 1.00 0.00 N ATOM 772 CA GLY A 49 6.891 22.312 -1.432 1.00 0.00 C ATOM 773 C GLY A 49 6.531 20.832 -1.597 1.00 0.00 C ATOM 774 O GLY A 49 5.501 20.551 -2.198 1.00 0.00 O ATOM 0 H GLY A 49 6.498 22.907 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.776 22.371 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.078 22.795 -0.890 1.00 0.00 H new ATOM 778 N PHE A 50 7.345 19.884 -1.115 1.00 0.00 N ATOM 779 CA PHE A 50 6.880 18.475 -0.864 1.00 0.00 C ATOM 780 C PHE A 50 7.354 17.895 0.477 1.00 0.00 C ATOM 781 O PHE A 50 8.487 18.128 0.854 1.00 0.00 O ATOM 782 CB PHE A 50 6.826 17.556 -2.051 1.00 0.00 C ATOM 783 CG PHE A 50 8.052 17.098 -2.728 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.596 17.899 -3.741 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.469 15.785 -2.518 1.00 0.00 C ATOM 786 CE1 PHE A 50 9.615 17.384 -4.547 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.532 15.293 -3.280 1.00 0.00 C ATOM 788 CZ PHE A 50 10.073 16.078 -4.313 1.00 0.00 C ATOM 0 H PHE A 50 8.326 20.045 -0.886 1.00 0.00 H new ATOM 0 HA PHE A 50 5.806 18.573 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.286 16.663 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.213 18.049 -2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.232 18.904 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.982 15.162 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.044 17.982 -5.338 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.937 14.313 -3.076 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.854 15.669 -4.937 1.00 0.00 H new ATOM 798 N ALA A 51 6.565 17.170 1.266 1.00 0.00 N ATOM 799 CA ALA A 51 6.894 16.959 2.682 1.00 0.00 C ATOM 800 C ALA A 51 7.446 15.579 3.015 1.00 0.00 C ATOM 801 O ALA A 51 7.015 14.574 2.478 1.00 0.00 O ATOM 802 CB ALA A 51 5.636 17.270 3.492 1.00 0.00 C ATOM 0 H ALA A 51 5.702 16.721 0.958 1.00 0.00 H new ATOM 0 HA ALA A 51 7.714 17.629 2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.841 17.124 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.338 18.304 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.830 16.604 3.183 1.00 0.00 H new ATOM 808 N PHE A 52 8.498 15.551 3.826 1.00 0.00 N ATOM 809 CA PHE A 52 9.262 14.369 4.180 1.00 0.00 C ATOM 810 C PHE A 52 9.445 14.285 5.712 1.00 0.00 C ATOM 811 O PHE A 52 9.868 15.267 6.319 1.00 0.00 O ATOM 812 CB PHE A 52 10.544 14.450 3.383 1.00 0.00 C ATOM 813 CG PHE A 52 10.494 13.582 2.166 1.00 0.00 C ATOM 814 CD1 PHE A 52 9.997 14.067 0.948 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.904 12.256 2.298 1.00 0.00 C ATOM 816 CE1 PHE A 52 9.938 13.213 -0.163 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.838 11.406 1.187 1.00 0.00 C ATOM 818 CZ PHE A 52 10.365 11.881 -0.048 1.00 0.00 C ATOM 0 H PHE A 52 8.855 16.395 4.274 1.00 0.00 H new ATOM 0 HA PHE A 52 8.758 13.436 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.723 15.483 3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.383 14.149 4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.662 15.090 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.268 11.889 3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.564 13.580 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.153 10.377 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.330 11.224 -0.905 1.00 0.00 H new ATOM 828 N ILE A 53 9.116 13.173 6.387 1.00 0.00 N ATOM 829 CA ILE A 53 9.309 13.084 7.854 1.00 0.00 C ATOM 830 C ILE A 53 9.939 11.747 8.266 1.00 0.00 C ATOM 831 O ILE A 53 9.582 10.696 7.727 1.00 0.00 O ATOM 832 CB ILE A 53 8.030 13.504 8.621 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.166 14.813 9.399 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.581 12.415 9.593 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.830 15.358 9.946 1.00 0.00 C ATOM 0 H ILE A 53 8.723 12.336 5.957 1.00 0.00 H new ATOM 0 HA ILE A 53 10.052 13.820 8.162 1.00 0.00 H new ATOM 0 HB ILE A 53 7.285 13.658 7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.852 14.660 10.232 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.615 15.565 8.750 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.681 12.741 10.115 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.368 11.500 9.041 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.373 12.226 10.318 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.010 16.288 10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.147 15.545 9.117 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.388 14.626 10.622 1.00 0.00 H new ATOM 847 N THR A 54 10.924 11.789 9.166 1.00 0.00 N ATOM 848 CA THR A 54 11.557 10.585 9.736 1.00 0.00 C ATOM 849 C THR A 54 11.096 10.366 11.178 1.00 0.00 C ATOM 850 O THR A 54 11.124 11.288 12.005 1.00 0.00 O ATOM 851 CB THR A 54 13.092 10.655 9.698 1.00 0.00 C ATOM 852 OG1 THR A 54 13.540 11.297 8.522 1.00 0.00 O ATOM 853 CG2 THR A 54 13.737 9.270 9.709 1.00 0.00 C ATOM 0 H THR A 54 11.311 12.662 9.526 1.00 0.00 H new ATOM 0 HA THR A 54 11.244 9.746 9.115 1.00 0.00 H new ATOM 0 HB THR A 54 13.381 11.210 10.591 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.326 11.845 8.728 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.822 9.374 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.446 8.740 10.616 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.404 8.707 8.837 1.00 0.00 H new ATOM 861 N PHE A 55 10.721 9.131 11.489 1.00 0.00 N ATOM 862 CA PHE A 55 10.053 8.715 12.720 1.00 0.00 C ATOM 863 C PHE A 55 11.007 7.991 13.671 1.00 0.00 C ATOM 864 O PHE A 55 11.822 7.175 13.234 1.00 0.00 O ATOM 865 CB PHE A 55 8.880 7.787 12.389 1.00 0.00 C ATOM 866 CG PHE A 55 7.644 8.456 11.810 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.551 8.772 10.441 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.540 8.732 12.642 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.388 9.375 9.938 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.375 9.325 12.134 1.00 0.00 C ATOM 871 CZ PHE A 55 5.299 9.649 10.775 1.00 0.00 C ATOM 0 H PHE A 55 10.883 8.348 10.855 1.00 0.00 H new ATOM 0 HA PHE A 55 9.695 9.617 13.216 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.227 7.034 11.681 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.591 7.260 13.299 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.374 8.550 9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.592 8.482 13.691 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.332 9.631 8.890 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.541 9.531 12.788 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.407 10.107 10.374 1.00 0.00 H new ATOM 881 N GLU A 56 10.908 8.329 14.960 1.00 0.00 N ATOM 882 CA GLU A 56 11.696 7.653 16.027 1.00 0.00 C ATOM 883 C GLU A 56 11.758 6.120 15.885 1.00 0.00 C ATOM 884 O GLU A 56 12.827 5.534 16.055 1.00 0.00 O ATOM 885 CB GLU A 56 11.085 8.075 17.377 1.00 0.00 C ATOM 886 CG GLU A 56 11.607 9.430 17.884 1.00 0.00 C ATOM 887 CD GLU A 56 13.091 9.357 18.302 1.00 0.00 C ATOM 888 OE1 GLU A 56 13.504 8.336 18.907 1.00 0.00 O ATOM 889 OE2 GLU A 56 13.848 10.315 18.021 1.00 0.00 O ATOM 0 H GLU A 56 10.292 9.066 15.303 1.00 0.00 H new ATOM 0 HA GLU A 56 12.737 7.967 15.948 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.001 8.125 17.277 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.301 7.309 18.121 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.487 10.180 17.103 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.006 9.755 18.733 1.00 0.00 H new ATOM 896 N ASN A 57 10.639 5.477 15.516 1.00 0.00 N ATOM 897 CA ASN A 57 10.649 4.074 15.086 1.00 0.00 C ATOM 898 C ASN A 57 9.850 3.945 13.773 1.00 0.00 C ATOM 899 O ASN A 57 8.863 4.660 13.567 1.00 0.00 O ATOM 900 CB ASN A 57 10.070 3.116 16.143 1.00 0.00 C ATOM 901 CG ASN A 57 10.455 3.404 17.583 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.519 3.038 18.067 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.578 4.042 18.321 1.00 0.00 N ATOM 0 H ASN A 57 9.715 5.909 15.508 1.00 0.00 H new ATOM 0 HA ASN A 57 11.690 3.785 14.938 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.983 3.137 16.067 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.387 2.102 15.899 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.781 4.235 19.302 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.693 4.345 17.914 1.00 0.00 H new ATOM 910 N PRO A 58 10.218 2.999 12.894 1.00 0.00 N ATOM 911 CA PRO A 58 9.554 2.792 11.605 1.00 0.00 C ATOM 912 C PRO A 58 8.092 2.361 11.747 1.00 0.00 C ATOM 913 O PRO A 58 7.233 2.773 10.964 1.00 0.00 O ATOM 914 CB PRO A 58 10.394 1.731 10.894 1.00 0.00 C ATOM 915 CG PRO A 58 11.050 0.975 12.052 1.00 0.00 C ATOM 916 CD PRO A 58 11.319 2.069 13.066 1.00 0.00 C ATOM 0 HA PRO A 58 9.501 3.722 11.039 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.778 1.073 10.281 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.136 2.180 10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.392 0.205 12.455 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.969 0.479 11.741 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.349 1.672 14.081 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.279 2.552 12.884 1.00 0.00 H new ATOM 924 N ALA A 59 7.833 1.580 12.798 1.00 0.00 N ATOM 925 CA ALA A 59 6.474 1.279 13.242 1.00 0.00 C ATOM 926 C ALA A 59 5.544 2.487 13.171 1.00 0.00 C ATOM 927 O ALA A 59 4.488 2.473 12.544 1.00 0.00 O ATOM 928 CB ALA A 59 6.619 0.880 14.721 1.00 0.00 C ATOM 0 H ALA A 59 8.559 1.140 13.363 1.00 0.00 H new ATOM 0 HA ALA A 59 6.041 0.508 12.604 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.638 0.638 15.130 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.271 0.010 14.801 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.051 1.709 15.281 1.00 0.00 H new ATOM 934 N ASP A 60 5.963 3.513 13.901 1.00 0.00 N ATOM 935 CA ASP A 60 5.231 4.750 13.992 1.00 0.00 C ATOM 936 C ASP A 60 4.998 5.464 12.653 1.00 0.00 C ATOM 937 O ASP A 60 3.940 6.046 12.424 1.00 0.00 O ATOM 938 CB ASP A 60 5.930 5.605 15.027 1.00 0.00 C ATOM 939 CG ASP A 60 6.195 4.908 16.373 1.00 0.00 C ATOM 940 OD1 ASP A 60 5.231 4.406 16.996 1.00 0.00 O ATOM 941 OD2 ASP A 60 7.364 4.891 16.819 1.00 0.00 O ATOM 0 H ASP A 60 6.825 3.501 14.446 1.00 0.00 H new ATOM 0 HA ASP A 60 4.209 4.536 14.306 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.881 5.942 14.616 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.328 6.495 15.208 1.00 0.00 H new ATOM 946 N ALA A 61 5.992 5.418 11.764 1.00 0.00 N ATOM 947 CA ALA A 61 5.798 5.853 10.377 1.00 0.00 C ATOM 948 C ALA A 61 4.641 5.109 9.702 1.00 0.00 C ATOM 949 O ALA A 61 3.740 5.708 9.115 1.00 0.00 O ATOM 950 CB ALA A 61 7.119 5.677 9.619 1.00 0.00 C ATOM 0 H ALA A 61 6.933 5.087 11.976 1.00 0.00 H new ATOM 0 HA ALA A 61 5.518 6.906 10.364 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.990 5.997 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.893 6.281 10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.414 4.628 9.640 1.00 0.00 H new ATOM 956 N LYS A 62 4.680 3.779 9.807 1.00 0.00 N ATOM 957 CA LYS A 62 3.645 2.881 9.268 1.00 0.00 C ATOM 958 C LYS A 62 2.257 3.229 9.799 1.00 0.00 C ATOM 959 O LYS A 62 1.272 3.286 9.075 1.00 0.00 O ATOM 960 CB LYS A 62 4.006 1.405 9.533 1.00 0.00 C ATOM 961 CG LYS A 62 3.477 0.485 8.425 1.00 0.00 C ATOM 962 CD LYS A 62 4.419 0.479 7.215 1.00 0.00 C ATOM 963 CE LYS A 62 3.814 -0.322 6.061 1.00 0.00 C ATOM 964 NZ LYS A 62 4.857 -0.676 5.070 1.00 0.00 N ATOM 0 H LYS A 62 5.440 3.284 10.274 1.00 0.00 H new ATOM 0 HA LYS A 62 3.611 3.026 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.089 1.302 9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.591 1.095 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.369 -0.529 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.485 0.816 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.611 1.502 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.380 0.049 7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.347 -1.229 6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.029 0.261 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.409 -0.890 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.513 0.123 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.382 -1.510 5.402 1.00 0.00 H new ATOM 978 N ASN A 63 2.216 3.445 11.103 1.00 0.00 N ATOM 979 CA ASN A 63 1.035 3.940 11.788 1.00 0.00 C ATOM 980 C ASN A 63 0.489 5.257 11.214 1.00 0.00 C ATOM 981 O ASN A 63 -0.657 5.272 10.781 1.00 0.00 O ATOM 982 CB ASN A 63 1.506 4.081 13.242 1.00 0.00 C ATOM 983 CG ASN A 63 0.449 3.780 14.272 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.410 2.925 14.107 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.524 4.422 15.400 1.00 0.00 N ATOM 0 H ASN A 63 3.010 3.280 11.722 1.00 0.00 H new ATOM 0 HA ASN A 63 0.186 3.265 11.675 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.353 3.414 13.403 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.867 5.098 13.397 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.135 4.213 16.150 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.241 5.134 15.535 1.00 0.00 H new ATOM 992 N ALA A 64 1.292 6.325 11.195 1.00 0.00 N ATOM 993 CA ALA A 64 0.889 7.588 10.588 1.00 0.00 C ATOM 994 C ALA A 64 0.457 7.426 9.118 1.00 0.00 C ATOM 995 O ALA A 64 -0.524 8.026 8.691 1.00 0.00 O ATOM 996 CB ALA A 64 2.008 8.601 10.841 1.00 0.00 C ATOM 0 H ALA A 64 2.230 6.335 11.597 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.018 7.974 11.053 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.738 9.560 10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.151 8.724 11.914 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.933 8.241 10.390 1.00 0.00 H new ATOM 1002 N ALA A 65 1.130 6.568 8.349 1.00 0.00 N ATOM 1003 CA ALA A 65 0.649 6.165 7.028 1.00 0.00 C ATOM 1004 C ALA A 65 -0.771 5.584 7.054 1.00 0.00 C ATOM 1005 O ALA A 65 -1.667 6.112 6.407 1.00 0.00 O ATOM 1006 CB ALA A 65 1.672 5.220 6.384 1.00 0.00 C ATOM 0 H ALA A 65 2.014 6.138 8.621 1.00 0.00 H new ATOM 0 HA ALA A 65 0.562 7.057 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.318 4.917 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.628 5.733 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.798 4.338 7.012 1.00 0.00 H new ATOM 1012 N LYS A 66 -0.966 4.503 7.807 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.206 3.721 7.939 1.00 0.00 C ATOM 1014 C LYS A 66 -3.378 4.598 8.367 1.00 0.00 C ATOM 1015 O LYS A 66 -4.469 4.524 7.809 1.00 0.00 O ATOM 1016 CB LYS A 66 -1.956 2.552 8.911 1.00 0.00 C ATOM 1017 CG LYS A 66 -3.163 1.618 9.106 1.00 0.00 C ATOM 1018 CD LYS A 66 -2.837 0.532 10.143 1.00 0.00 C ATOM 1019 CE LYS A 66 -4.044 -0.390 10.358 1.00 0.00 C ATOM 1020 NZ LYS A 66 -3.786 -1.385 11.434 1.00 0.00 N ATOM 0 H LYS A 66 -0.215 4.120 8.382 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.485 3.311 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.113 1.965 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.665 2.957 9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.028 2.195 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.430 1.155 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.981 -0.053 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.555 0.997 11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.918 0.208 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.276 -0.910 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.622 -1.992 11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.967 -1.971 11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.589 -0.888 12.326 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.095 5.453 9.341 1.00 0.00 N ATOM 1035 CA ASP A 67 -4.010 6.521 9.747 1.00 0.00 C ATOM 1036 C ASP A 67 -4.451 7.455 8.616 1.00 0.00 C ATOM 1037 O ASP A 67 -5.633 7.629 8.322 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.237 7.367 10.777 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.131 8.169 11.745 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.333 7.842 11.902 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.627 9.136 12.357 1.00 0.00 O ATOM 0 H ASP A 67 -2.226 5.429 9.874 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.920 6.055 10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.592 6.708 11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.586 8.060 10.244 1.00 0.00 H new ATOM 1046 N MET A 68 -3.432 8.104 8.062 1.00 0.00 N ATOM 1047 CA MET A 68 -3.619 9.270 7.169 1.00 0.00 C ATOM 1048 C MET A 68 -4.102 8.969 5.744 1.00 0.00 C ATOM 1049 O MET A 68 -5.295 9.082 5.473 1.00 0.00 O ATOM 1050 CB MET A 68 -2.406 10.188 7.228 1.00 0.00 C ATOM 1051 CG MET A 68 -2.146 10.763 8.634 1.00 0.00 C ATOM 1052 SD MET A 68 -3.554 11.521 9.501 1.00 0.00 S ATOM 1053 CE MET A 68 -3.716 13.077 8.600 1.00 0.00 C ATOM 0 H MET A 68 -2.456 7.849 8.210 1.00 0.00 H new ATOM 0 HA MET A 68 -4.477 9.807 7.573 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.525 9.636 6.900 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.547 11.010 6.527 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.758 9.960 9.260 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.358 11.512 8.551 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.256 13.798 9.213 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.725 13.468 8.368 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.265 12.906 7.674 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.147 8.633 4.855 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.440 8.018 3.539 1.00 0.00 C ATOM 1065 C ASN A 69 -4.435 8.647 2.526 1.00 0.00 C ATOM 1066 O ASN A 69 -4.601 8.121 1.422 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.719 6.531 3.807 1.00 0.00 C ATOM 1068 CG ASN A 69 -5.162 6.208 4.159 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -6.003 5.934 3.313 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.480 6.228 5.429 1.00 0.00 N ATOM 0 H ASN A 69 -2.152 8.779 5.025 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.546 8.229 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.438 5.958 2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.077 6.196 4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.434 6.014 5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.774 6.457 6.128 1.00 0.00 H new ATOM 1077 N GLY A 70 -5.049 9.777 2.857 1.00 0.00 N ATOM 1078 CA GLY A 70 -6.104 10.447 2.085 1.00 0.00 C ATOM 1079 C GLY A 70 -7.063 11.269 2.937 1.00 0.00 C ATOM 1080 O GLY A 70 -8.251 11.394 2.622 1.00 0.00 O ATOM 0 H GLY A 70 -4.817 10.281 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.641 11.099 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.673 9.696 1.537 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.518 11.827 4.022 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.235 12.815 4.819 1.00 0.00 C ATOM 1086 C LYS A 71 -7.041 14.179 4.141 1.00 0.00 C ATOM 1087 O LYS A 71 -6.431 14.272 3.073 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.607 12.703 6.217 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.251 13.485 7.380 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.754 13.177 7.537 1.00 0.00 C ATOM 1091 CE LYS A 71 -9.371 13.823 8.788 1.00 0.00 C ATOM 1092 NZ LYS A 71 -9.008 13.103 10.041 1.00 0.00 N ATOM 0 H LYS A 71 -5.583 11.609 4.365 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.312 12.671 4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.598 11.648 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.567 13.021 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.734 13.241 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.118 14.554 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.286 13.529 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.895 12.097 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.039 14.859 8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.456 13.842 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.449 13.578 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.347 12.121 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.974 13.106 10.156 1.00 0.00 H new ATOM 1106 N SER A 72 -7.530 15.256 4.740 1.00 0.00 N ATOM 1107 CA SER A 72 -7.475 16.573 4.116 1.00 0.00 C ATOM 1108 C SER A 72 -7.570 17.647 5.176 1.00 0.00 C ATOM 1109 O SER A 72 -8.470 17.643 6.020 1.00 0.00 O ATOM 1110 CB SER A 72 -8.587 16.690 3.078 1.00 0.00 C ATOM 1111 OG SER A 72 -8.442 17.899 2.355 1.00 0.00 O ATOM 0 H SER A 72 -7.971 15.244 5.660 1.00 0.00 H new ATOM 0 HA SER A 72 -6.523 16.706 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.551 15.841 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.560 16.663 3.569 1.00 0.00 H new ATOM 0 HG SER A 72 -9.157 17.969 1.688 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.564 18.516 5.155 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.299 19.448 6.257 1.00 0.00 C ATOM 1119 C LEU A 73 -5.640 20.784 5.877 1.00 0.00 C ATOM 1120 O LEU A 73 -5.327 21.585 6.760 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.552 18.666 7.366 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.105 18.154 7.180 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.760 17.342 5.934 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.061 19.274 7.283 1.00 0.00 C ATOM 0 H LEU A 73 -5.908 18.598 4.378 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.260 19.805 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.548 19.303 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.164 17.796 7.603 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.066 17.453 8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.707 17.063 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.373 16.441 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.953 17.941 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.064 18.856 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.252 20.021 6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.125 19.742 8.265 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.460 21.047 4.576 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.793 22.256 4.074 1.00 0.00 C ATOM 1138 C HIS A 74 -5.496 22.915 2.861 1.00 0.00 C ATOM 1139 O HIS A 74 -4.937 23.789 2.197 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.296 21.930 3.868 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.738 21.895 2.481 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.585 20.838 1.599 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -1.987 22.919 2.017 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.744 21.249 0.628 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.316 22.480 0.894 1.00 0.00 N ATOM 0 H HIS A 74 -5.776 20.421 3.835 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.872 23.046 4.820 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.720 22.662 4.434 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.107 20.957 4.321 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -3.026 19.921 1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.923 23.907 2.449 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.461 20.666 -0.236 1.00 0.00 H new ATOM 1153 N GLY A 75 -6.734 22.497 2.560 1.00 0.00 N ATOM 1154 CA GLY A 75 -7.404 22.864 1.298 1.00 0.00 C ATOM 1155 C GLY A 75 -6.943 21.996 0.115 1.00 0.00 C ATOM 1156 O GLY A 75 -7.252 22.302 -1.041 1.00 0.00 O ATOM 0 H GLY A 75 -7.294 21.904 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.483 22.764 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.204 23.912 1.075 1.00 0.00 H new ATOM 1160 N LYS A 76 -6.203 20.919 0.425 1.00 0.00 N ATOM 1161 CA LYS A 76 -5.772 19.940 -0.573 1.00 0.00 C ATOM 1162 C LYS A 76 -5.368 18.713 0.216 1.00 0.00 C ATOM 1163 O LYS A 76 -4.395 18.708 0.976 1.00 0.00 O ATOM 1164 CB LYS A 76 -4.659 20.486 -1.478 1.00 0.00 C ATOM 1165 CG LYS A 76 -3.725 19.481 -2.182 1.00 0.00 C ATOM 1166 CD LYS A 76 -4.425 18.529 -3.168 1.00 0.00 C ATOM 1167 CE LYS A 76 -5.055 19.284 -4.348 1.00 0.00 C ATOM 1168 NZ LYS A 76 -5.669 18.360 -5.339 1.00 0.00 N ATOM 0 H LYS A 76 -5.890 20.707 1.373 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.569 19.695 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.128 21.098 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.038 21.150 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.956 20.036 -2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.217 18.886 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.704 17.804 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.198 17.967 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.814 19.971 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.293 19.888 -4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.082 18.911 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.940 17.721 -5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.415 17.801 -4.877 1.00 0.00 H new ATOM 1182 N ALA A 77 -6.208 17.715 0.030 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.968 16.387 0.538 1.00 0.00 C ATOM 1184 C ALA A 77 -4.537 15.869 0.351 1.00 0.00 C ATOM 1185 O ALA A 77 -3.850 16.147 -0.635 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.994 15.558 -0.209 1.00 0.00 C ATOM 0 H ALA A 77 -7.084 17.808 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.069 16.346 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.910 14.515 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.995 15.924 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.816 15.639 -1.281 1.00 0.00 H new ATOM 1192 N ILE A 78 -4.156 15.052 1.322 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.773 14.569 1.448 1.00 0.00 C ATOM 1194 C ILE A 78 -2.658 13.126 0.994 1.00 0.00 C ATOM 1195 O ILE A 78 -3.498 12.272 1.282 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.202 14.707 2.866 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.028 13.903 3.872 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -2.080 16.201 3.193 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.353 13.860 5.228 1.00 0.00 C ATOM 0 H ILE A 78 -4.786 14.702 2.044 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.179 15.211 0.798 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.203 14.277 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.019 14.347 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.169 12.888 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.676 16.322 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.414 16.678 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.064 16.667 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.964 13.282 5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.373 13.393 5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.235 14.875 5.608 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.599 12.880 0.243 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.217 11.512 -0.130 1.00 0.00 C ATOM 1213 C LYS A 79 -0.018 11.109 0.710 1.00 0.00 C ATOM 1214 O LYS A 79 0.955 11.852 0.767 1.00 0.00 O ATOM 1215 CB LYS A 79 -0.927 11.515 -1.634 1.00 0.00 C ATOM 1216 CG LYS A 79 -0.184 10.311 -2.238 1.00 0.00 C ATOM 1217 CD LYS A 79 1.338 10.452 -2.188 1.00 0.00 C ATOM 1218 CE LYS A 79 1.951 9.457 -3.169 1.00 0.00 C ATOM 1219 NZ LYS A 79 1.880 9.943 -4.574 1.00 0.00 N ATOM 0 H LYS A 79 -0.982 13.604 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.003 10.781 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.879 11.613 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.347 12.410 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.476 9.407 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.496 10.183 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.633 11.469 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.703 10.262 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.992 9.277 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.431 8.502 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.479 9.345 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.896 9.897 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.215 10.926 -4.619 1.00 0.00 H new ATOM 1233 N VAL A 80 -0.100 9.953 1.366 1.00 0.00 N ATOM 1234 CA VAL A 80 0.942 9.448 2.282 1.00 0.00 C ATOM 1235 C VAL A 80 1.598 8.183 1.733 1.00 0.00 C ATOM 1236 O VAL A 80 0.930 7.209 1.388 1.00 0.00 O ATOM 1237 CB VAL A 80 0.409 9.242 3.710 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.539 8.811 4.657 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.250 10.533 4.215 1.00 0.00 C ATOM 0 H VAL A 80 -0.900 9.326 1.281 1.00 0.00 H new ATOM 0 HA VAL A 80 1.713 10.216 2.346 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.337 8.448 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.139 8.671 5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.971 7.874 4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.310 9.581 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.625 10.378 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.484 11.339 4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.078 10.800 3.558 1.00 0.00 H new ATOM 1249 N GLU A 81 2.921 8.239 1.628 1.00 0.00 N ATOM 1250 CA GLU A 81 3.802 7.292 0.947 1.00 0.00 C ATOM 1251 C GLU A 81 5.043 6.956 1.797 1.00 0.00 C ATOM 1252 O GLU A 81 5.543 7.804 2.540 1.00 0.00 O ATOM 1253 CB GLU A 81 4.146 7.869 -0.436 1.00 0.00 C ATOM 1254 CG GLU A 81 5.018 6.974 -1.323 1.00 0.00 C ATOM 1255 CD GLU A 81 4.345 5.619 -1.611 1.00 0.00 C ATOM 1256 OE1 GLU A 81 4.457 4.696 -0.769 1.00 0.00 O ATOM 1257 OE2 GLU A 81 3.690 5.472 -2.671 1.00 0.00 O ATOM 0 H GLU A 81 3.447 9.005 2.048 1.00 0.00 H new ATOM 0 HA GLU A 81 3.296 6.337 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.216 8.080 -0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.657 8.822 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.223 7.485 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.979 6.806 -0.836 1.00 0.00 H new ATOM 1264 N GLN A 82 5.565 5.733 1.690 1.00 0.00 N ATOM 1265 CA GLN A 82 6.758 5.290 2.421 1.00 0.00 C ATOM 1266 C GLN A 82 7.935 5.378 1.445 1.00 0.00 C ATOM 1267 O GLN A 82 7.969 4.727 0.396 1.00 0.00 O ATOM 1268 CB GLN A 82 6.542 3.869 2.970 1.00 0.00 C ATOM 1269 CG GLN A 82 7.827 3.211 3.518 1.00 0.00 C ATOM 1270 CD GLN A 82 7.543 2.287 4.702 1.00 0.00 C ATOM 1271 OE1 GLN A 82 6.559 1.561 4.751 1.00 0.00 O ATOM 1272 NE2 GLN A 82 8.366 2.296 5.729 1.00 0.00 N ATOM 0 H GLN A 82 5.168 5.012 1.087 1.00 0.00 H new ATOM 0 HA GLN A 82 6.964 5.918 3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.797 3.906 3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.133 3.242 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.309 2.642 2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.528 3.987 3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.194 2.892 5.714 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.176 1.707 6.540 1.00 0.00 H new ATOM 1281 N ALA A 83 8.842 6.304 1.777 1.00 0.00 N ATOM 1282 CA ALA A 83 9.912 6.765 0.889 1.00 0.00 C ATOM 1283 C ALA A 83 10.858 5.679 0.323 1.00 0.00 C ATOM 1284 O ALA A 83 10.991 4.582 0.878 1.00 0.00 O ATOM 1285 CB ALA A 83 10.704 7.837 1.629 1.00 0.00 C ATOM 0 H ALA A 83 8.852 6.762 2.688 1.00 0.00 H new ATOM 0 HA ALA A 83 9.419 7.150 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.510 8.200 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.043 8.665 1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.126 7.413 2.540 1.00 0.00 H new ATOM 1291 N LYS A 84 11.544 6.034 -0.780 1.00 0.00 N ATOM 1292 CA LYS A 84 12.387 5.075 -1.523 1.00 0.00 C ATOM 1293 C LYS A 84 13.722 5.667 -1.994 1.00 0.00 C ATOM 1294 O LYS A 84 14.766 5.302 -1.454 1.00 0.00 O ATOM 1295 CB LYS A 84 11.561 4.513 -2.712 1.00 0.00 C ATOM 1296 CG LYS A 84 11.145 3.054 -2.497 1.00 0.00 C ATOM 1297 CD LYS A 84 12.353 2.097 -2.483 1.00 0.00 C ATOM 1298 CE LYS A 84 12.269 1.203 -1.247 1.00 0.00 C ATOM 1299 NZ LYS A 84 13.473 0.354 -1.087 1.00 0.00 N ATOM 0 H LYS A 84 11.532 6.974 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 84 12.665 4.270 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.670 5.125 -2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.148 4.589 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.605 2.968 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.456 2.755 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.361 1.488 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.283 2.666 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.144 1.824 -0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.386 0.568 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.372 -0.235 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.580 -0.258 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.314 0.959 -0.991 1.00 0.00 H new ATOM 1313 N LYS A 85 13.677 6.559 -2.993 1.00 0.00 N ATOM 1314 CA LYS A 85 14.897 7.160 -3.591 1.00 0.00 C ATOM 1315 C LYS A 85 14.548 8.435 -4.388 1.00 0.00 C ATOM 1316 O LYS A 85 13.447 8.497 -4.944 1.00 0.00 O ATOM 1317 CB LYS A 85 15.525 6.191 -4.622 1.00 0.00 C ATOM 1318 CG LYS A 85 16.434 5.091 -4.053 1.00 0.00 C ATOM 1319 CD LYS A 85 17.468 4.602 -5.086 1.00 0.00 C ATOM 1320 CE LYS A 85 16.837 4.072 -6.383 1.00 0.00 C ATOM 1321 NZ LYS A 85 17.868 3.797 -7.418 1.00 0.00 N ATOM 0 H LYS A 85 12.807 6.888 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 85 15.576 7.376 -2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.719 5.715 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.103 6.778 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.953 5.470 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.823 4.250 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.143 5.423 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.073 3.814 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.280 3.159 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.122 4.800 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.408 3.441 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.383 4.674 -7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.536 3.084 -7.062 1.00 0.00 H new ATOM 1335 N PRO A 86 15.505 9.370 -4.565 1.00 0.00 N ATOM 1336 CA PRO A 86 15.410 10.495 -5.500 1.00 0.00 C ATOM 1337 C PRO A 86 16.122 10.242 -6.853 1.00 0.00 C ATOM 1338 O PRO A 86 16.162 11.136 -7.697 1.00 0.00 O ATOM 1339 CB PRO A 86 16.062 11.632 -4.725 1.00 0.00 C ATOM 1340 CG PRO A 86 17.256 10.934 -4.080 1.00 0.00 C ATOM 1341 CD PRO A 86 16.677 9.559 -3.712 1.00 0.00 C ATOM 0 HA PRO A 86 14.380 10.694 -5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.371 12.447 -5.379 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.388 12.058 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.097 10.849 -4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.615 11.471 -3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.411 8.770 -3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.402 9.522 -2.658 1.00 0.00 H new