USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 551 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: B 16 ASN : amide:sc= -3.63! C(o=-2.8!,f=-6.2!) USER MOD Set 1.2: B 77 LYS NZ :NH3+ 165:sc= 0.879 (180deg=-0.0549) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 THR OG1 : rot 87:sc= 1.22 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.012) USER MOD Single : B 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0307) USER MOD Single : B 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00355) USER MOD Single : B 31 TYR OH : rot 150:sc= -0.103 USER MOD Single : B 40 MET CE :methyl -128:sc= -0.235 (180deg=-2.2!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0.0115 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -157:sc= -1.78 (180deg=-2.49!) USER MOD Single : B 70 ASN : amide:sc= -0.138 K(o=-0.14,f=-3) USER MOD Single : B 72 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.609) USER MOD Single : B 73 SER OG : rot 180:sc=-0.00266 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 GLN : amide:sc= 0.118 X(o=0.12,f=-0.25) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.108 -2.491 -18.771 1.00 0.00 N ATOM 112 CA GLY B 8 3.234 -3.009 -19.523 1.00 0.00 C ATOM 113 C GLY B 8 4.384 -3.362 -18.603 1.00 0.00 C ATOM 114 O GLY B 8 5.272 -4.108 -19.007 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.927 -3.892 -20.083 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.561 -2.268 -20.252 1.00 0.00 H new ATOM 118 N LYS B 9 4.386 -2.842 -17.370 1.00 0.00 N ATOM 119 CA LYS B 9 5.446 -3.166 -16.435 1.00 0.00 C ATOM 120 C LYS B 9 4.964 -4.264 -15.506 1.00 0.00 C ATOM 121 O LYS B 9 3.886 -4.165 -14.927 1.00 0.00 O ATOM 122 CB LYS B 9 5.914 -1.928 -15.669 1.00 0.00 C ATOM 123 CG LYS B 9 7.094 -2.344 -14.786 1.00 0.00 C ATOM 124 CD LYS B 9 7.659 -1.169 -13.994 1.00 0.00 C ATOM 125 CE LYS B 9 8.381 -0.196 -14.928 1.00 0.00 C ATOM 126 NZ LYS B 9 8.932 0.950 -14.184 1.00 0.00 N ATOM 0 H LYS B 9 3.674 -2.207 -17.010 1.00 0.00 H new ATOM 0 HA LYS B 9 6.316 -3.528 -16.984 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.213 -1.141 -16.361 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.104 -1.526 -15.060 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.773 -3.125 -14.096 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.879 -2.772 -15.409 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.853 -0.652 -13.472 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.349 -1.533 -13.233 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.186 -0.716 -15.447 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.689 0.161 -15.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.416 1.592 -14.844 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 8.160 1.459 -13.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.610 0.609 -13.473 1.00 0.00 H new ATOM 140 N LEU B 10 5.766 -5.315 -15.360 1.00 0.00 N ATOM 141 CA LEU B 10 5.406 -6.462 -14.558 1.00 0.00 C ATOM 142 C LEU B 10 6.343 -6.573 -13.369 1.00 0.00 C ATOM 143 O LEU B 10 7.478 -6.108 -13.418 1.00 0.00 O ATOM 144 CB LEU B 10 5.499 -7.713 -15.428 1.00 0.00 C ATOM 145 CG LEU B 10 4.481 -7.779 -16.563 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.712 -9.091 -17.305 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.043 -7.765 -16.057 1.00 0.00 C ATOM 0 H LEU B 10 6.684 -5.388 -15.799 1.00 0.00 H new ATOM 0 HA LEU B 10 4.388 -6.353 -14.183 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.501 -7.769 -15.853 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.372 -8.590 -14.794 1.00 0.00 H new ATOM 0 HG LEU B 10 4.616 -6.905 -17.200 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.000 -9.175 -18.126 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.727 -9.111 -17.701 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.574 -9.926 -16.619 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.359 -7.814 -16.904 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.878 -8.624 -15.407 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.863 -6.847 -15.498 1.00 0.00 H new ATOM 159 N PHE B 11 5.847 -7.196 -12.305 1.00 0.00 N ATOM 160 CA PHE B 11 6.622 -7.540 -11.133 1.00 0.00 C ATOM 161 C PHE B 11 6.795 -9.052 -11.137 1.00 0.00 C ATOM 162 O PHE B 11 5.815 -9.777 -11.305 1.00 0.00 O ATOM 163 CB PHE B 11 5.893 -7.075 -9.875 1.00 0.00 C ATOM 164 CG PHE B 11 6.497 -7.649 -8.619 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.719 -7.155 -8.147 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.845 -8.683 -7.934 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.292 -7.693 -6.990 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.418 -9.222 -6.774 1.00 0.00 C ATOM 169 CZ PHE B 11 7.642 -8.725 -6.304 1.00 0.00 C ATOM 0 H PHE B 11 4.870 -7.480 -12.239 1.00 0.00 H new ATOM 0 HA PHE B 11 7.596 -7.051 -11.145 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.920 -5.987 -9.824 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.844 -7.366 -9.937 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.220 -6.358 -8.677 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.903 -9.064 -8.299 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.235 -7.312 -6.626 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.918 -10.019 -6.243 1.00 0.00 H new ATOM 0 HZ PHE B 11 8.084 -9.140 -5.410 1.00 0.00 H new ATOM 179 N ILE B 12 8.029 -9.521 -10.953 1.00 0.00 N ATOM 180 CA ILE B 12 8.362 -10.930 -11.069 1.00 0.00 C ATOM 181 C ILE B 12 8.978 -11.415 -9.758 1.00 0.00 C ATOM 182 O ILE B 12 10.197 -11.518 -9.649 1.00 0.00 O ATOM 183 CB ILE B 12 9.324 -11.142 -12.249 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.056 -10.286 -13.494 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.303 -12.620 -12.627 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.690 -10.487 -14.146 1.00 0.00 C ATOM 0 H ILE B 12 8.825 -8.927 -10.719 1.00 0.00 H new ATOM 0 HA ILE B 12 7.460 -11.511 -11.261 1.00 0.00 H new ATOM 0 HB ILE B 12 10.303 -10.814 -11.899 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.158 -9.236 -13.221 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.828 -10.499 -14.234 1.00 0.00 H new ATOM 0 HG21 ILE B 12 9.980 -12.791 -13.464 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.622 -13.218 -11.774 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.292 -12.908 -12.914 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.603 -9.836 -15.016 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.585 -11.526 -14.458 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.905 -10.243 -13.430 1.00 0.00 H new ATOM 198 N GLY B 13 8.150 -11.714 -8.753 1.00 0.00 N ATOM 199 CA GLY B 13 8.673 -12.096 -7.445 1.00 0.00 C ATOM 200 C GLY B 13 8.792 -13.606 -7.282 1.00 0.00 C ATOM 201 O GLY B 13 7.946 -14.344 -7.771 1.00 0.00 O ATOM 0 H GLY B 13 7.132 -11.699 -8.820 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.653 -11.640 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.020 -11.700 -6.667 1.00 0.00 H new ATOM 205 N GLY B 14 9.838 -14.071 -6.594 1.00 0.00 N ATOM 206 CA GLY B 14 9.997 -15.472 -6.230 1.00 0.00 C ATOM 207 C GLY B 14 11.012 -16.180 -7.123 1.00 0.00 C ATOM 208 O GLY B 14 11.143 -17.402 -7.081 1.00 0.00 O ATOM 0 H GLY B 14 10.602 -13.476 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.316 -15.543 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY B 14 9.034 -15.978 -6.303 1.00 0.00 H new ATOM 212 N LEU B 15 11.733 -15.409 -7.940 1.00 0.00 N ATOM 213 CA LEU B 15 12.683 -15.941 -8.900 1.00 0.00 C ATOM 214 C LEU B 15 13.861 -16.618 -8.210 1.00 0.00 C ATOM 215 O LEU B 15 14.082 -16.442 -7.012 1.00 0.00 O ATOM 216 CB LEU B 15 13.224 -14.804 -9.762 1.00 0.00 C ATOM 217 CG LEU B 15 12.173 -14.129 -10.636 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.699 -12.764 -11.062 1.00 0.00 C ATOM 219 CD2 LEU B 15 11.974 -14.969 -11.890 1.00 0.00 C ATOM 0 H LEU B 15 11.668 -14.391 -7.948 1.00 0.00 H new ATOM 0 HA LEU B 15 12.160 -16.679 -9.508 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.677 -14.054 -9.113 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.017 -15.193 -10.401 1.00 0.00 H new ATOM 0 HG LEU B 15 11.237 -14.027 -10.087 1.00 0.00 H new ATOM 0 HD11 LEU B 15 11.958 -12.268 -11.689 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.892 -12.156 -10.178 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.624 -12.890 -11.625 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.224 -14.500 -12.527 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.917 -15.042 -12.432 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.638 -15.967 -11.610 1.00 0.00 H new ATOM 231 N ASN B 16 14.620 -17.399 -8.980 1.00 0.00 N ATOM 232 CA ASN B 16 15.797 -18.085 -8.498 1.00 0.00 C ATOM 233 C ASN B 16 16.983 -17.125 -8.390 1.00 0.00 C ATOM 234 O ASN B 16 17.022 -16.091 -9.058 1.00 0.00 O ATOM 235 CB ASN B 16 16.072 -19.227 -9.462 1.00 0.00 C ATOM 236 CG ASN B 16 17.032 -20.256 -8.920 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.379 -20.261 -7.743 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.454 -21.140 -9.802 1.00 0.00 N ATOM 0 H ASN B 16 14.424 -17.568 -9.966 1.00 0.00 H new ATOM 0 HA ASN B 16 15.638 -18.478 -7.494 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.130 -19.716 -9.711 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.474 -18.820 -10.390 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.102 -21.875 -9.518 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.133 -21.089 -10.769 1.00 0.00 H new ATOM 245 N THR B 17 17.963 -17.466 -7.548 1.00 0.00 N ATOM 246 CA THR B 17 19.190 -16.695 -7.380 1.00 0.00 C ATOM 247 C THR B 17 20.091 -16.865 -8.596 1.00 0.00 C ATOM 248 O THR B 17 21.108 -16.186 -8.728 1.00 0.00 O ATOM 249 CB THR B 17 19.929 -17.175 -6.127 1.00 0.00 C ATOM 250 OG1 THR B 17 20.282 -18.535 -6.255 1.00 0.00 O ATOM 251 CG2 THR B 17 19.024 -17.056 -4.907 1.00 0.00 C ATOM 0 H THR B 17 17.922 -18.297 -6.958 1.00 0.00 H new ATOM 0 HA THR B 17 18.933 -15.641 -7.274 1.00 0.00 H new ATOM 0 HB THR B 17 20.820 -16.558 -6.011 1.00 0.00 H new ATOM 0 HG1 THR B 17 21.145 -18.607 -6.714 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.559 -17.400 -4.022 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.730 -16.015 -4.772 1.00 0.00 H new ATOM 0 HG23 THR B 17 18.134 -17.668 -5.053 1.00 0.00 H new ATOM 259 N GLU B 18 19.702 -17.787 -9.480 1.00 0.00 N ATOM 260 CA GLU B 18 20.468 -18.186 -10.643 1.00 0.00 C ATOM 261 C GLU B 18 19.952 -17.475 -11.892 1.00 0.00 C ATOM 262 O GLU B 18 20.582 -17.527 -12.947 1.00 0.00 O ATOM 263 CB GLU B 18 20.348 -19.708 -10.787 1.00 0.00 C ATOM 264 CG GLU B 18 20.455 -20.416 -9.434 1.00 0.00 C ATOM 265 CD GLU B 18 21.839 -20.243 -8.812 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.036 -19.236 -8.095 1.00 0.00 O ATOM 267 OE2 GLU B 18 22.699 -21.119 -9.064 1.00 0.00 O ATOM 0 H GLU B 18 18.817 -18.286 -9.395 1.00 0.00 H new ATOM 0 HA GLU B 18 21.515 -17.907 -10.522 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.394 -19.955 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.131 -20.073 -11.452 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.699 -20.020 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.244 -21.478 -9.561 1.00 0.00 H new ATOM 274 N THR B 19 18.800 -16.811 -11.765 1.00 0.00 N ATOM 275 CA THR B 19 18.185 -16.084 -12.858 1.00 0.00 C ATOM 276 C THR B 19 18.807 -14.700 -12.965 1.00 0.00 C ATOM 277 O THR B 19 19.139 -14.085 -11.951 1.00 0.00 O ATOM 278 CB THR B 19 16.675 -15.963 -12.619 1.00 0.00 C ATOM 279 OG1 THR B 19 16.127 -17.241 -12.383 1.00 0.00 O ATOM 280 CG2 THR B 19 15.965 -15.350 -13.823 1.00 0.00 C ATOM 0 H THR B 19 18.272 -16.768 -10.893 1.00 0.00 H new ATOM 0 HA THR B 19 18.353 -16.625 -13.789 1.00 0.00 H new ATOM 0 HB THR B 19 16.530 -15.315 -11.755 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.163 -17.160 -12.229 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.897 -15.279 -13.618 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.365 -14.354 -14.013 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.126 -15.978 -14.699 1.00 0.00 H new ATOM 288 N ASN B 20 18.963 -14.209 -14.195 1.00 0.00 N ATOM 289 CA ASN B 20 19.430 -12.856 -14.436 1.00 0.00 C ATOM 290 C ASN B 20 18.576 -12.225 -15.527 1.00 0.00 C ATOM 291 O ASN B 20 17.547 -12.769 -15.913 1.00 0.00 O ATOM 292 CB ASN B 20 20.898 -12.814 -14.848 1.00 0.00 C ATOM 293 CG ASN B 20 21.683 -14.035 -14.410 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.150 -14.129 -13.278 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.832 -14.982 -15.328 1.00 0.00 N ATOM 0 H ASN B 20 18.769 -14.740 -15.044 1.00 0.00 H new ATOM 0 HA ASN B 20 19.339 -12.299 -13.503 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.961 -12.721 -15.932 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.361 -11.923 -14.424 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.352 -15.831 -15.105 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.426 -14.861 -16.256 1.00 0.00 H new ATOM 302 N GLU B 21 19.019 -11.071 -16.020 1.00 0.00 N ATOM 303 CA GLU B 21 18.255 -10.282 -16.971 1.00 0.00 C ATOM 304 C GLU B 21 18.170 -10.991 -18.317 1.00 0.00 C ATOM 305 O GLU B 21 17.162 -10.874 -19.009 1.00 0.00 O ATOM 306 CB GLU B 21 18.929 -8.922 -17.137 1.00 0.00 C ATOM 307 CG GLU B 21 18.838 -8.153 -15.822 1.00 0.00 C ATOM 308 CD GLU B 21 19.708 -6.899 -15.847 1.00 0.00 C ATOM 309 OE1 GLU B 21 20.894 -7.019 -15.470 1.00 0.00 O ATOM 310 OE2 GLU B 21 19.181 -5.836 -16.243 1.00 0.00 O ATOM 0 H GLU B 21 19.918 -10.660 -15.769 1.00 0.00 H new ATOM 0 HA GLU B 21 17.240 -10.151 -16.595 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.972 -9.052 -17.424 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.446 -8.359 -17.936 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.801 -7.874 -15.633 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.150 -8.797 -15.000 1.00 0.00 H new ATOM 317 N LYS B 22 19.218 -11.731 -18.692 1.00 0.00 N ATOM 318 CA LYS B 22 19.252 -12.412 -19.975 1.00 0.00 C ATOM 319 C LYS B 22 18.162 -13.479 -20.029 1.00 0.00 C ATOM 320 O LYS B 22 17.590 -13.737 -21.087 1.00 0.00 O ATOM 321 CB LYS B 22 20.651 -13.015 -20.149 1.00 0.00 C ATOM 322 CG LYS B 22 21.106 -13.151 -21.607 1.00 0.00 C ATOM 323 CD LYS B 22 20.182 -14.011 -22.472 1.00 0.00 C ATOM 324 CE LYS B 22 20.857 -14.346 -23.806 1.00 0.00 C ATOM 325 NZ LYS B 22 21.120 -13.136 -24.609 1.00 0.00 N ATOM 0 H LYS B 22 20.051 -11.869 -18.120 1.00 0.00 H new ATOM 0 HA LYS B 22 19.057 -11.718 -20.792 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.370 -12.395 -19.613 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.669 -14.000 -19.682 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.178 -12.157 -22.048 1.00 0.00 H new ATOM 0 HG3 LYS B 22 22.107 -13.581 -21.625 1.00 0.00 H new ATOM 0 HD2 LYS B 22 19.931 -14.931 -21.944 1.00 0.00 H new ATOM 0 HD3 LYS B 22 19.247 -13.482 -22.653 1.00 0.00 H new ATOM 0 HE2 LYS B 22 21.795 -14.867 -23.617 1.00 0.00 H new ATOM 0 HE3 LYS B 22 20.222 -15.027 -24.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 21.483 -13.412 -25.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 20.238 -12.598 -24.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 21.825 -12.544 -24.125 1.00 0.00 H new ATOM 339 N ALA B 23 17.857 -14.106 -18.892 1.00 0.00 N ATOM 340 CA ALA B 23 16.911 -15.206 -18.864 1.00 0.00 C ATOM 341 C ALA B 23 15.502 -14.639 -18.715 1.00 0.00 C ATOM 342 O ALA B 23 14.518 -15.297 -19.037 1.00 0.00 O ATOM 343 CB ALA B 23 17.268 -16.139 -17.711 1.00 0.00 C ATOM 0 H ALA B 23 18.254 -13.866 -17.984 1.00 0.00 H new ATOM 0 HA ALA B 23 16.952 -15.781 -19.789 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.562 -16.969 -17.682 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.277 -16.526 -17.855 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.221 -15.590 -16.771 1.00 0.00 H new ATOM 349 N LEU B 24 15.421 -13.404 -18.218 1.00 0.00 N ATOM 350 CA LEU B 24 14.191 -12.706 -17.922 1.00 0.00 C ATOM 351 C LEU B 24 13.697 -11.997 -19.175 1.00 0.00 C ATOM 352 O LEU B 24 12.502 -11.765 -19.338 1.00 0.00 O ATOM 353 CB LEU B 24 14.555 -11.729 -16.804 1.00 0.00 C ATOM 354 CG LEU B 24 13.985 -12.240 -15.492 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.726 -11.634 -14.312 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.511 -11.868 -15.368 1.00 0.00 C ATOM 0 H LEU B 24 16.250 -12.849 -18.006 1.00 0.00 H new ATOM 0 HA LEU B 24 13.381 -13.364 -17.608 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.638 -11.629 -16.730 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.158 -10.739 -17.026 1.00 0.00 H new ATOM 0 HG LEU B 24 14.100 -13.324 -15.486 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.302 -12.013 -13.382 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.780 -11.905 -14.367 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.628 -10.549 -14.339 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.120 -12.242 -14.422 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.405 -10.784 -15.401 1.00 0.00 H new ATOM 0 HD23 LEU B 24 11.953 -12.312 -16.192 1.00 0.00 H new ATOM 368 N GLU B 25 14.621 -11.653 -20.070 1.00 0.00 N ATOM 369 CA GLU B 25 14.247 -11.128 -21.372 1.00 0.00 C ATOM 370 C GLU B 25 13.899 -12.269 -22.316 1.00 0.00 C ATOM 371 O GLU B 25 13.097 -12.119 -23.233 1.00 0.00 O ATOM 372 CB GLU B 25 15.420 -10.364 -21.980 1.00 0.00 C ATOM 373 CG GLU B 25 15.643 -9.072 -21.220 1.00 0.00 C ATOM 374 CD GLU B 25 16.717 -8.216 -21.886 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.912 -8.484 -21.637 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.332 -7.298 -22.645 1.00 0.00 O ATOM 0 H GLU B 25 15.626 -11.729 -19.915 1.00 0.00 H new ATOM 0 HA GLU B 25 13.388 -10.470 -21.240 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.321 -10.976 -21.946 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.220 -10.149 -23.030 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.709 -8.512 -21.168 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.938 -9.297 -20.195 1.00 0.00 H new ATOM 383 N ALA B 26 14.524 -13.420 -22.073 1.00 0.00 N ATOM 384 CA ALA B 26 14.397 -14.596 -22.915 1.00 0.00 C ATOM 385 C ALA B 26 13.126 -15.375 -22.605 1.00 0.00 C ATOM 386 O ALA B 26 12.664 -16.165 -23.430 1.00 0.00 O ATOM 387 CB ALA B 26 15.613 -15.477 -22.658 1.00 0.00 C ATOM 0 H ALA B 26 15.141 -13.558 -21.272 1.00 0.00 H new ATOM 0 HA ALA B 26 14.341 -14.289 -23.959 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.551 -16.373 -23.276 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.520 -14.927 -22.907 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.639 -15.763 -21.606 1.00 0.00 H new ATOM 393 N VAL B 27 12.561 -15.156 -21.416 1.00 0.00 N ATOM 394 CA VAL B 27 11.407 -15.902 -20.950 1.00 0.00 C ATOM 395 C VAL B 27 10.130 -15.079 -21.012 1.00 0.00 C ATOM 396 O VAL B 27 9.061 -15.602 -21.313 1.00 0.00 O ATOM 397 CB VAL B 27 11.713 -16.366 -19.536 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.603 -15.237 -18.526 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.781 -17.481 -19.104 1.00 0.00 C ATOM 0 H VAL B 27 12.896 -14.455 -20.755 1.00 0.00 H new ATOM 0 HA VAL B 27 11.228 -16.759 -21.600 1.00 0.00 H new ATOM 0 HB VAL B 27 12.741 -16.728 -19.558 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.830 -15.617 -17.530 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.310 -14.448 -18.784 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.590 -14.835 -18.539 1.00 0.00 H new ATOM 0 HG21 VAL B 27 11.028 -17.789 -18.088 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.751 -17.127 -19.135 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.893 -18.331 -19.778 1.00 0.00 H new ATOM 409 N PHE B 28 10.239 -13.781 -20.727 1.00 0.00 N ATOM 410 CA PHE B 28 9.106 -12.882 -20.868 1.00 0.00 C ATOM 411 C PHE B 28 9.038 -12.309 -22.279 1.00 0.00 C ATOM 412 O PHE B 28 8.034 -11.708 -22.653 1.00 0.00 O ATOM 413 CB PHE B 28 9.145 -11.794 -19.801 1.00 0.00 C ATOM 414 CG PHE B 28 8.841 -12.324 -18.423 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.515 -12.417 -17.978 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.883 -12.739 -17.591 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.241 -12.938 -16.707 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.616 -13.264 -16.321 1.00 0.00 C ATOM 419 CZ PHE B 28 8.290 -13.363 -15.880 1.00 0.00 C ATOM 0 H PHE B 28 11.097 -13.336 -20.400 1.00 0.00 H new ATOM 0 HA PHE B 28 8.189 -13.450 -20.713 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.130 -11.328 -19.798 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.425 -11.016 -20.054 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.706 -12.088 -18.614 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.905 -12.654 -17.931 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.220 -13.012 -16.364 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.426 -13.590 -15.686 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.076 -13.767 -14.902 1.00 0.00 H new ATOM 429 N GLY B 29 10.100 -12.491 -23.072 1.00 0.00 N ATOM 430 CA GLY B 29 10.095 -12.053 -24.461 1.00 0.00 C ATOM 431 C GLY B 29 9.260 -13.009 -25.309 1.00 0.00 C ATOM 432 O GLY B 29 9.058 -12.781 -26.501 1.00 0.00 O ATOM 0 H GLY B 29 10.967 -12.937 -22.772 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.689 -11.044 -24.531 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.116 -12.013 -24.842 1.00 0.00 H new ATOM 436 N LYS B 30 8.772 -14.087 -24.684 1.00 0.00 N ATOM 437 CA LYS B 30 7.972 -15.112 -25.326 1.00 0.00 C ATOM 438 C LYS B 30 6.517 -14.679 -25.431 1.00 0.00 C ATOM 439 O LYS B 30 5.729 -15.293 -26.148 1.00 0.00 O ATOM 440 CB LYS B 30 8.084 -16.386 -24.485 1.00 0.00 C ATOM 441 CG LYS B 30 9.556 -16.771 -24.306 1.00 0.00 C ATOM 442 CD LYS B 30 9.733 -17.958 -23.356 1.00 0.00 C ATOM 443 CE LYS B 30 8.906 -19.177 -23.764 1.00 0.00 C ATOM 444 NZ LYS B 30 9.318 -19.703 -25.082 1.00 0.00 N ATOM 0 H LYS B 30 8.932 -14.266 -23.693 1.00 0.00 H new ATOM 0 HA LYS B 30 8.335 -15.287 -26.339 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.620 -16.230 -23.511 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.544 -17.199 -24.969 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.986 -17.018 -25.277 1.00 0.00 H new ATOM 0 HG3 LYS B 30 10.109 -15.914 -23.921 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.787 -18.235 -23.322 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.450 -17.655 -22.348 1.00 0.00 H new ATOM 0 HE2 LYS B 30 9.014 -19.958 -23.011 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.850 -18.907 -23.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.757 -20.549 -25.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.160 -18.978 -25.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.327 -19.953 -25.056 1.00 0.00 H new ATOM 458 N TYR B 31 6.176 -13.612 -24.709 1.00 0.00 N ATOM 459 CA TYR B 31 4.820 -13.090 -24.656 1.00 0.00 C ATOM 460 C TYR B 31 4.687 -11.748 -25.379 1.00 0.00 C ATOM 461 O TYR B 31 3.579 -11.369 -25.754 1.00 0.00 O ATOM 462 CB TYR B 31 4.433 -12.948 -23.189 1.00 0.00 C ATOM 463 CG TYR B 31 4.524 -14.248 -22.420 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.548 -15.237 -22.594 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.594 -14.463 -21.537 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.645 -16.448 -21.896 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.701 -15.669 -20.829 1.00 0.00 C ATOM 468 CZ TYR B 31 4.732 -16.676 -21.026 1.00 0.00 C ATOM 469 OH TYR B 31 4.840 -17.871 -20.378 1.00 0.00 O ATOM 0 H TYR B 31 6.841 -13.085 -24.142 1.00 0.00 H new ATOM 0 HA TYR B 31 4.151 -13.781 -25.169 1.00 0.00 H new ATOM 0 HB2 TYR B 31 5.082 -12.209 -22.719 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.414 -12.565 -23.124 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.720 -15.066 -23.266 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.340 -13.694 -21.402 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.887 -17.207 -22.024 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.517 -15.826 -20.139 1.00 0.00 H new ATOM 0 HH TYR B 31 5.786 -18.075 -20.224 1.00 0.00 H new ATOM 479 N GLY B 32 5.795 -11.030 -25.579 1.00 0.00 N ATOM 480 CA GLY B 32 5.765 -9.738 -26.241 1.00 0.00 C ATOM 481 C GLY B 32 7.136 -9.116 -26.383 1.00 0.00 C ATOM 482 O GLY B 32 8.093 -9.532 -25.732 1.00 0.00 O ATOM 0 H GLY B 32 6.725 -11.330 -25.288 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.320 -9.852 -27.229 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.122 -9.062 -25.678 1.00 0.00 H new ATOM 486 N ARG B 33 7.219 -8.104 -27.248 1.00 0.00 N ATOM 487 CA ARG B 33 8.431 -7.350 -27.439 1.00 0.00 C ATOM 488 C ARG B 33 8.739 -6.579 -26.167 1.00 0.00 C ATOM 489 O ARG B 33 7.971 -5.722 -25.734 1.00 0.00 O ATOM 490 CB ARG B 33 8.239 -6.419 -28.632 1.00 0.00 C ATOM 491 CG ARG B 33 9.609 -5.970 -29.120 1.00 0.00 C ATOM 492 CD ARG B 33 9.488 -5.023 -30.315 1.00 0.00 C ATOM 493 NE ARG B 33 8.870 -5.687 -31.469 1.00 0.00 N ATOM 494 CZ ARG B 33 8.482 -5.051 -32.579 1.00 0.00 C ATOM 495 NH1 ARG B 33 8.639 -3.734 -32.701 1.00 0.00 N ATOM 496 NH2 ARG B 33 7.926 -5.736 -33.576 1.00 0.00 N ATOM 0 H ARG B 33 6.441 -7.794 -27.830 1.00 0.00 H new ATOM 0 HA ARG B 33 9.276 -8.007 -27.647 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.702 -6.932 -29.430 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.637 -5.556 -28.346 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.141 -5.471 -28.310 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.201 -6.841 -29.401 1.00 0.00 H new ATOM 0 HD2 ARG B 33 8.893 -4.154 -30.033 1.00 0.00 H new ATOM 0 HD3 ARG B 33 10.477 -4.657 -30.591 1.00 0.00 H new ATOM 0 HE ARG B 33 8.728 -6.696 -31.421 1.00 0.00 H new ATOM 0 HH11 ARG B 33 9.060 -3.198 -31.942 1.00 0.00 H new ATOM 0 HH12 ARG B 33 8.339 -3.261 -33.553 1.00 0.00 H new ATOM 0 HH21 ARG B 33 7.797 -6.744 -33.492 1.00 0.00 H new ATOM 0 HH22 ARG B 33 7.629 -5.253 -34.424 1.00 0.00 H new ATOM 510 N ILE B 34 9.880 -6.905 -25.580 1.00 0.00 N ATOM 511 CA ILE B 34 10.376 -6.235 -24.389 1.00 0.00 C ATOM 512 C ILE B 34 11.016 -4.908 -24.768 1.00 0.00 C ATOM 513 O ILE B 34 11.663 -4.798 -25.811 1.00 0.00 O ATOM 514 CB ILE B 34 11.354 -7.165 -23.662 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.566 -8.379 -23.165 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.034 -6.437 -22.502 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.419 -9.308 -22.310 1.00 0.00 C ATOM 0 H ILE B 34 10.492 -7.647 -25.919 1.00 0.00 H new ATOM 0 HA ILE B 34 9.554 -6.011 -23.709 1.00 0.00 H new ATOM 0 HB ILE B 34 12.143 -7.488 -24.341 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.708 -8.040 -22.585 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.175 -8.931 -24.020 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.724 -7.116 -22.000 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.585 -5.578 -22.885 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.279 -6.098 -21.793 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.817 -10.155 -21.981 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.263 -9.670 -22.897 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.788 -8.765 -21.440 1.00 0.00 H new ATOM 529 N VAL B 35 10.826 -3.901 -23.913 1.00 0.00 N ATOM 530 CA VAL B 35 11.417 -2.580 -24.093 1.00 0.00 C ATOM 531 C VAL B 35 12.408 -2.296 -22.967 1.00 0.00 C ATOM 532 O VAL B 35 13.293 -1.456 -23.123 1.00 0.00 O ATOM 533 CB VAL B 35 10.327 -1.498 -24.153 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.459 -0.726 -25.465 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.910 -2.064 -24.075 1.00 0.00 C ATOM 0 H VAL B 35 10.254 -3.983 -23.072 1.00 0.00 H new ATOM 0 HA VAL B 35 11.954 -2.562 -25.041 1.00 0.00 H new ATOM 0 HB VAL B 35 10.476 -0.855 -23.285 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.688 0.043 -25.514 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.442 -0.258 -25.515 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.341 -1.412 -26.304 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.189 -1.248 -24.123 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.744 -2.744 -24.910 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.785 -2.604 -23.137 1.00 0.00 H new ATOM 545 N GLU B 36 12.266 -2.994 -21.837 1.00 0.00 N ATOM 546 CA GLU B 36 13.173 -2.879 -20.702 1.00 0.00 C ATOM 547 C GLU B 36 13.017 -4.092 -19.790 1.00 0.00 C ATOM 548 O GLU B 36 11.938 -4.672 -19.715 1.00 0.00 O ATOM 549 CB GLU B 36 12.851 -1.589 -19.941 1.00 0.00 C ATOM 550 CG GLU B 36 13.797 -1.376 -18.760 1.00 0.00 C ATOM 551 CD GLU B 36 13.567 -0.010 -18.116 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.132 0.977 -18.639 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.829 0.041 -17.106 1.00 0.00 O ATOM 0 H GLU B 36 11.509 -3.661 -21.687 1.00 0.00 H new ATOM 0 HA GLU B 36 14.205 -2.844 -21.051 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.920 -0.739 -20.620 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.823 -1.626 -19.581 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.644 -2.162 -18.020 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.830 -1.454 -19.098 1.00 0.00 H new ATOM 560 N VAL B 37 14.088 -4.481 -19.094 1.00 0.00 N ATOM 561 CA VAL B 37 14.019 -5.514 -18.069 1.00 0.00 C ATOM 562 C VAL B 37 14.842 -5.103 -16.858 1.00 0.00 C ATOM 563 O VAL B 37 15.876 -4.453 -16.984 1.00 0.00 O ATOM 564 CB VAL B 37 14.456 -6.884 -18.610 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.071 -7.782 -17.536 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.230 -7.623 -19.138 1.00 0.00 C ATOM 0 H VAL B 37 15.020 -4.089 -19.227 1.00 0.00 H new ATOM 0 HA VAL B 37 12.979 -5.618 -17.760 1.00 0.00 H new ATOM 0 HB VAL B 37 15.202 -6.688 -19.380 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.359 -8.735 -17.980 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.952 -7.296 -17.116 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.341 -7.956 -16.746 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.531 -8.597 -19.524 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.511 -7.759 -18.330 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.771 -7.042 -19.938 1.00 0.00 H new ATOM 576 N LEU B 38 14.352 -5.502 -15.686 1.00 0.00 N ATOM 577 CA LEU B 38 15.042 -5.323 -14.417 1.00 0.00 C ATOM 578 C LEU B 38 15.269 -6.689 -13.800 1.00 0.00 C ATOM 579 O LEU B 38 14.531 -7.633 -14.068 1.00 0.00 O ATOM 580 CB LEU B 38 14.152 -4.498 -13.499 1.00 0.00 C ATOM 581 CG LEU B 38 14.454 -2.996 -13.510 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.487 -2.292 -12.566 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.868 -2.679 -13.031 1.00 0.00 C ATOM 0 H LEU B 38 13.449 -5.966 -15.594 1.00 0.00 H new ATOM 0 HA LEU B 38 15.996 -4.817 -14.562 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.112 -4.650 -13.788 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.257 -4.870 -12.480 1.00 0.00 H new ATOM 0 HG LEU B 38 14.350 -2.656 -14.540 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.693 -1.222 -12.566 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.463 -2.465 -12.899 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.612 -2.686 -11.557 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.029 -1.601 -13.059 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.995 -3.039 -12.010 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.591 -3.171 -13.682 1.00 0.00 H new ATOM 595 N LEU B 39 16.296 -6.781 -12.962 1.00 0.00 N ATOM 596 CA LEU B 39 16.521 -7.944 -12.138 1.00 0.00 C ATOM 597 C LEU B 39 17.227 -7.429 -10.901 1.00 0.00 C ATOM 598 O LEU B 39 18.316 -6.860 -10.996 1.00 0.00 O ATOM 599 CB LEU B 39 17.358 -8.948 -12.934 1.00 0.00 C ATOM 600 CG LEU B 39 17.674 -10.279 -12.243 1.00 0.00 C ATOM 601 CD1 LEU B 39 18.854 -10.168 -11.292 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.505 -10.877 -11.480 1.00 0.00 C ATOM 0 H LEU B 39 16.992 -6.045 -12.841 1.00 0.00 H new ATOM 0 HA LEU B 39 15.609 -8.465 -11.846 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.836 -9.164 -13.866 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.301 -8.470 -13.200 1.00 0.00 H new ATOM 0 HG LEU B 39 17.917 -10.947 -13.069 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.039 -11.136 -10.827 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.740 -9.856 -11.846 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.631 -9.431 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU B 39 16.812 -11.817 -11.021 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.184 -10.182 -10.704 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.679 -11.062 -12.166 1.00 0.00 H new ATOM 614 N MET B 40 16.614 -7.619 -9.736 1.00 0.00 N ATOM 615 CA MET B 40 17.103 -6.975 -8.535 1.00 0.00 C ATOM 616 C MET B 40 18.069 -7.898 -7.818 1.00 0.00 C ATOM 617 O MET B 40 17.841 -9.107 -7.781 1.00 0.00 O ATOM 618 CB MET B 40 15.932 -6.551 -7.644 1.00 0.00 C ATOM 619 CG MET B 40 14.776 -5.900 -8.411 1.00 0.00 C ATOM 620 SD MET B 40 15.190 -4.965 -9.909 1.00 0.00 S ATOM 621 CE MET B 40 16.333 -3.729 -9.250 1.00 0.00 C ATOM 0 H MET B 40 15.790 -8.206 -9.605 1.00 0.00 H new ATOM 0 HA MET B 40 17.647 -6.068 -8.798 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.556 -7.426 -7.113 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.295 -5.852 -6.891 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.071 -6.684 -8.687 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.255 -5.229 -7.728 1.00 0.00 H new ATOM 0 HE1 MET B 40 16.009 -2.734 -9.556 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.345 -3.788 -8.162 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.335 -3.918 -9.635 1.00 0.00 H new ATOM 631 N LYS B 41 19.145 -7.348 -7.244 1.00 0.00 N ATOM 632 CA LYS B 41 20.082 -8.173 -6.507 1.00 0.00 C ATOM 633 C LYS B 41 20.551 -7.528 -5.210 1.00 0.00 C ATOM 634 O LYS B 41 20.488 -6.311 -5.044 1.00 0.00 O ATOM 635 CB LYS B 41 21.287 -8.584 -7.354 1.00 0.00 C ATOM 636 CG LYS B 41 21.081 -8.460 -8.866 1.00 0.00 C ATOM 637 CD LYS B 41 22.398 -8.768 -9.573 1.00 0.00 C ATOM 638 CE LYS B 41 22.237 -8.634 -11.086 1.00 0.00 C ATOM 639 NZ LYS B 41 23.527 -8.840 -11.773 1.00 0.00 N ATOM 0 H LYS B 41 19.378 -6.355 -7.279 1.00 0.00 H new ATOM 0 HA LYS B 41 19.524 -9.072 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.141 -7.971 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.543 -9.617 -7.120 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.305 -9.150 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS B 41 20.744 -7.455 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.174 -8.087 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.724 -9.778 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.509 -9.362 -11.444 1.00 0.00 H new ATOM 0 HE3 LYS B 41 21.845 -7.646 -11.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.393 -8.744 -12.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.212 -8.129 -11.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.887 -9.792 -11.558 1.00 0.00 H new ATOM 765 N ARG B 49 17.723 -10.526 -5.406 1.00 0.00 N ATOM 766 CA ARG B 49 16.770 -10.232 -4.345 1.00 0.00 C ATOM 767 C ARG B 49 15.637 -11.251 -4.411 1.00 0.00 C ATOM 768 O ARG B 49 14.810 -11.325 -3.504 1.00 0.00 O ATOM 769 CB ARG B 49 16.184 -8.830 -4.535 1.00 0.00 C ATOM 770 CG ARG B 49 17.230 -7.716 -4.502 1.00 0.00 C ATOM 771 CD ARG B 49 17.579 -7.247 -3.093 1.00 0.00 C ATOM 772 NE ARG B 49 16.444 -6.592 -2.432 1.00 0.00 N ATOM 773 CZ ARG B 49 16.151 -5.291 -2.551 1.00 0.00 C ATOM 774 NH1 ARG B 49 16.876 -4.492 -3.328 1.00 0.00 N ATOM 775 NH2 ARG B 49 15.120 -4.780 -1.882 1.00 0.00 N ATOM 0 HA ARG B 49 17.277 -10.281 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.657 -8.793 -5.488 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.446 -8.646 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.137 -8.066 -4.994 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.862 -6.867 -5.078 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.902 -8.101 -2.497 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.420 -6.555 -3.140 1.00 0.00 H new ATOM 0 HE ARG B 49 15.839 -7.165 -1.844 1.00 0.00 H new ATOM 0 HH11 ARG B 49 17.670 -4.868 -3.846 1.00 0.00 H new ATOM 0 HH12 ARG B 49 16.638 -3.503 -3.406 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.555 -5.379 -1.280 1.00 0.00 H new ATOM 0 HH22 ARG B 49 14.895 -3.789 -1.971 1.00 0.00 H new ATOM 789 N GLY B 50 15.611 -12.033 -5.497 1.00 0.00 N ATOM 790 CA GLY B 50 14.576 -13.023 -5.736 1.00 0.00 C ATOM 791 C GLY B 50 13.350 -12.404 -6.400 1.00 0.00 C ATOM 792 O GLY B 50 12.369 -13.105 -6.623 1.00 0.00 O ATOM 0 H GLY B 50 16.315 -11.990 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.971 -13.818 -6.369 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.286 -13.482 -4.791 1.00 0.00 H new ATOM 796 N PHE B 51 13.380 -11.106 -6.725 1.00 0.00 N ATOM 797 CA PHE B 51 12.301 -10.487 -7.484 1.00 0.00 C ATOM 798 C PHE B 51 12.877 -9.593 -8.580 1.00 0.00 C ATOM 799 O PHE B 51 14.044 -9.204 -8.528 1.00 0.00 O ATOM 800 CB PHE B 51 11.361 -9.728 -6.548 1.00 0.00 C ATOM 801 CG PHE B 51 11.982 -8.520 -5.892 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.679 -8.651 -4.685 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.847 -7.261 -6.491 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.232 -7.519 -4.071 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.405 -6.133 -5.882 1.00 0.00 C ATOM 806 CZ PHE B 51 13.106 -6.260 -4.674 1.00 0.00 C ATOM 0 H PHE B 51 14.138 -10.472 -6.473 1.00 0.00 H new ATOM 0 HA PHE B 51 11.709 -11.261 -7.973 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.484 -9.410 -7.112 1.00 0.00 H new ATOM 0 HB3 PHE B 51 11.012 -10.409 -5.772 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.790 -9.623 -4.228 1.00 0.00 H new ATOM 0 HD2 PHE B 51 11.312 -7.162 -7.424 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.756 -7.617 -3.132 1.00 0.00 H new ATOM 0 HE2 PHE B 51 12.296 -5.162 -6.343 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.547 -5.390 -4.210 1.00 0.00 H new ATOM 816 N ALA B 52 12.054 -9.269 -9.578 1.00 0.00 N ATOM 817 CA ALA B 52 12.489 -8.518 -10.745 1.00 0.00 C ATOM 818 C ALA B 52 11.326 -7.760 -11.377 1.00 0.00 C ATOM 819 O ALA B 52 10.207 -7.800 -10.867 1.00 0.00 O ATOM 820 CB ALA B 52 13.072 -9.517 -11.740 1.00 0.00 C ATOM 0 H ALA B 52 11.066 -9.523 -9.595 1.00 0.00 H new ATOM 0 HA ALA B 52 13.235 -7.778 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.410 -8.988 -12.631 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.916 -10.035 -11.284 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.308 -10.243 -12.017 1.00 0.00 H new ATOM 826 N PHE B 53 11.591 -7.069 -12.490 1.00 0.00 N ATOM 827 CA PHE B 53 10.573 -6.336 -13.231 1.00 0.00 C ATOM 828 C PHE B 53 10.845 -6.457 -14.731 1.00 0.00 C ATOM 829 O PHE B 53 11.948 -6.805 -15.143 1.00 0.00 O ATOM 830 CB PHE B 53 10.555 -4.861 -12.810 1.00 0.00 C ATOM 831 CG PHE B 53 10.265 -4.609 -11.356 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.291 -4.767 -10.417 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.987 -4.204 -10.948 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.035 -4.535 -9.060 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.732 -3.966 -9.592 1.00 0.00 C ATOM 836 CZ PHE B 53 9.756 -4.136 -8.646 1.00 0.00 C ATOM 0 H PHE B 53 12.523 -7.005 -12.900 1.00 0.00 H new ATOM 0 HA PHE B 53 9.596 -6.764 -13.008 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.522 -4.420 -13.052 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.808 -4.339 -13.408 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.277 -5.067 -10.738 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.201 -4.076 -11.677 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.823 -4.663 -8.332 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.749 -3.652 -9.274 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.558 -3.959 -7.599 1.00 0.00 H new ATOM 846 N VAL B 54 9.838 -6.167 -15.557 1.00 0.00 N ATOM 847 CA VAL B 54 9.989 -6.177 -17.008 1.00 0.00 C ATOM 848 C VAL B 54 8.969 -5.246 -17.637 1.00 0.00 C ATOM 849 O VAL B 54 7.835 -5.170 -17.171 1.00 0.00 O ATOM 850 CB VAL B 54 9.833 -7.599 -17.561 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.589 -8.293 -17.079 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.851 -7.627 -19.089 1.00 0.00 C ATOM 0 H VAL B 54 8.901 -5.920 -15.238 1.00 0.00 H new ATOM 0 HA VAL B 54 10.990 -5.827 -17.259 1.00 0.00 H new ATOM 0 HB VAL B 54 10.697 -8.140 -17.175 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.541 -9.294 -17.508 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.611 -8.365 -15.992 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.712 -7.724 -17.387 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.738 -8.654 -19.435 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.030 -7.022 -19.474 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.798 -7.225 -19.449 1.00 0.00 H new ATOM 862 N THR B 55 9.370 -4.542 -18.694 1.00 0.00 N ATOM 863 CA THR B 55 8.470 -3.664 -19.429 1.00 0.00 C ATOM 864 C THR B 55 8.241 -4.206 -20.831 1.00 0.00 C ATOM 865 O THR B 55 9.189 -4.422 -21.585 1.00 0.00 O ATOM 866 CB THR B 55 9.013 -2.239 -19.488 1.00 0.00 C ATOM 867 OG1 THR B 55 9.253 -1.760 -18.178 1.00 0.00 O ATOM 868 CG2 THR B 55 7.987 -1.325 -20.161 1.00 0.00 C ATOM 0 H THR B 55 10.322 -4.565 -19.061 1.00 0.00 H new ATOM 0 HA THR B 55 7.517 -3.634 -18.901 1.00 0.00 H new ATOM 0 HB THR B 55 9.943 -2.241 -20.057 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.603 -0.846 -18.223 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.377 -0.308 -20.202 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.792 -1.680 -21.173 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.060 -1.335 -19.588 1.00 0.00 H new ATOM 876 N PHE B 56 6.970 -4.416 -21.166 1.00 0.00 N ATOM 877 CA PHE B 56 6.539 -4.832 -22.487 1.00 0.00 C ATOM 878 C PHE B 56 6.138 -3.627 -23.326 1.00 0.00 C ATOM 879 O PHE B 56 5.784 -2.578 -22.790 1.00 0.00 O ATOM 880 CB PHE B 56 5.349 -5.773 -22.344 1.00 0.00 C ATOM 881 CG PHE B 56 5.689 -7.144 -21.819 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.173 -7.330 -20.514 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.511 -8.247 -22.660 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.483 -8.620 -20.061 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.794 -9.535 -22.198 1.00 0.00 C ATOM 886 CZ PHE B 56 6.268 -9.725 -20.895 1.00 0.00 C ATOM 0 H PHE B 56 6.199 -4.298 -20.509 1.00 0.00 H new ATOM 0 HA PHE B 56 7.363 -5.340 -22.987 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.619 -5.314 -21.677 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.869 -5.880 -23.317 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.306 -6.481 -19.860 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.154 -8.103 -23.669 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.887 -8.762 -19.070 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.647 -10.385 -22.847 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.468 -10.723 -20.533 1.00 0.00 H new ATOM 896 N GLU B 57 6.192 -3.777 -24.651 1.00 0.00 N ATOM 897 CA GLU B 57 5.750 -2.730 -25.559 1.00 0.00 C ATOM 898 C GLU B 57 4.231 -2.735 -25.680 1.00 0.00 C ATOM 899 O GLU B 57 3.647 -1.721 -26.063 1.00 0.00 O ATOM 900 CB GLU B 57 6.382 -2.938 -26.934 1.00 0.00 C ATOM 901 CG GLU B 57 7.311 -1.787 -27.313 1.00 0.00 C ATOM 902 CD GLU B 57 6.532 -0.488 -27.531 1.00 0.00 C ATOM 903 OE1 GLU B 57 5.939 -0.346 -28.627 1.00 0.00 O ATOM 904 OE2 GLU B 57 6.534 0.355 -26.607 1.00 0.00 O ATOM 0 H GLU B 57 6.539 -4.617 -25.115 1.00 0.00 H new ATOM 0 HA GLU B 57 6.064 -1.765 -25.160 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.942 -3.873 -26.939 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.597 -3.033 -27.684 1.00 0.00 H new ATOM 0 HG2 GLU B 57 8.051 -1.641 -26.526 1.00 0.00 H new ATOM 0 HG3 GLU B 57 7.857 -2.042 -28.221 1.00 0.00 H new ATOM 911 N SER B 58 3.580 -3.859 -25.357 1.00 0.00 N ATOM 912 CA SER B 58 2.130 -3.909 -25.348 1.00 0.00 C ATOM 913 C SER B 58 1.643 -4.184 -23.933 1.00 0.00 C ATOM 914 O SER B 58 2.213 -5.023 -23.236 1.00 0.00 O ATOM 915 CB SER B 58 1.644 -4.966 -26.335 1.00 0.00 C ATOM 916 OG SER B 58 0.243 -5.108 -26.253 1.00 0.00 O ATOM 0 H SER B 58 4.038 -4.734 -25.102 1.00 0.00 H new ATOM 0 HA SER B 58 1.718 -2.951 -25.664 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.929 -4.684 -27.349 1.00 0.00 H new ATOM 0 HB3 SER B 58 2.126 -5.920 -26.122 1.00 0.00 H new ATOM 0 HG SER B 58 -0.055 -5.788 -26.893 1.00 0.00 H new ATOM 922 N PRO B 59 0.587 -3.493 -23.495 1.00 0.00 N ATOM 923 CA PRO B 59 0.043 -3.642 -22.163 1.00 0.00 C ATOM 924 C PRO B 59 -0.777 -4.921 -22.060 1.00 0.00 C ATOM 925 O PRO B 59 -1.311 -5.201 -20.993 1.00 0.00 O ATOM 926 CB PRO B 59 -0.858 -2.430 -21.973 1.00 0.00 C ATOM 927 CG PRO B 59 -1.409 -2.245 -23.375 1.00 0.00 C ATOM 928 CD PRO B 59 -0.177 -2.506 -24.238 1.00 0.00 C ATOM 0 HA PRO B 59 0.826 -3.704 -21.407 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.646 -2.614 -21.243 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.304 -1.556 -21.631 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.215 -2.946 -23.592 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.809 -1.242 -23.527 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.455 -2.879 -25.224 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.399 -1.594 -24.394 1.00 0.00 H new ATOM 936 N ALA B 60 -0.880 -5.688 -23.152 1.00 0.00 N ATOM 937 CA ALA B 60 -1.618 -6.937 -23.159 1.00 0.00 C ATOM 938 C ALA B 60 -0.703 -8.117 -23.476 1.00 0.00 C ATOM 939 O ALA B 60 -1.081 -9.264 -23.247 1.00 0.00 O ATOM 940 CB ALA B 60 -2.787 -6.836 -24.131 1.00 0.00 C ATOM 0 H ALA B 60 -0.452 -5.453 -24.048 1.00 0.00 H new ATOM 0 HA ALA B 60 -2.022 -7.120 -22.163 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.340 -7.776 -24.134 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.449 -6.027 -23.822 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.410 -6.633 -25.133 1.00 0.00 H new ATOM 946 N ASP B 61 0.497 -7.854 -23.999 1.00 0.00 N ATOM 947 CA ASP B 61 1.501 -8.896 -24.111 1.00 0.00 C ATOM 948 C ASP B 61 2.018 -9.197 -22.707 1.00 0.00 C ATOM 949 O ASP B 61 2.452 -10.311 -22.418 1.00 0.00 O ATOM 950 CB ASP B 61 2.654 -8.412 -24.987 1.00 0.00 C ATOM 951 CG ASP B 61 2.319 -8.377 -26.477 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.214 -8.828 -26.850 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.181 -7.891 -27.240 1.00 0.00 O ATOM 0 H ASP B 61 0.788 -6.940 -24.345 1.00 0.00 H new ATOM 0 HA ASP B 61 1.072 -9.790 -24.563 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.948 -7.413 -24.666 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.515 -9.063 -24.832 1.00 0.00 H new ATOM 958 N ALA B 62 1.961 -8.188 -21.831 1.00 0.00 N ATOM 959 CA ALA B 62 2.329 -8.340 -20.439 1.00 0.00 C ATOM 960 C ALA B 62 1.224 -9.057 -19.671 1.00 0.00 C ATOM 961 O ALA B 62 1.499 -9.724 -18.678 1.00 0.00 O ATOM 962 CB ALA B 62 2.577 -6.953 -19.854 1.00 0.00 C ATOM 0 H ALA B 62 1.657 -7.246 -22.078 1.00 0.00 H new ATOM 0 HA ALA B 62 3.234 -8.943 -20.357 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.856 -7.045 -18.804 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.383 -6.466 -20.402 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.669 -6.355 -19.937 1.00 0.00 H new ATOM 968 N LYS B 63 -0.027 -8.929 -20.126 1.00 0.00 N ATOM 969 CA LYS B 63 -1.143 -9.639 -19.519 1.00 0.00 C ATOM 970 C LYS B 63 -1.079 -11.103 -19.922 1.00 0.00 C ATOM 971 O LYS B 63 -1.392 -11.982 -19.128 1.00 0.00 O ATOM 972 CB LYS B 63 -2.466 -9.032 -19.991 1.00 0.00 C ATOM 973 CG LYS B 63 -2.580 -7.584 -19.507 1.00 0.00 C ATOM 974 CD LYS B 63 -3.812 -6.863 -20.064 1.00 0.00 C ATOM 975 CE LYS B 63 -5.096 -7.537 -19.579 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.288 -6.851 -20.113 1.00 0.00 N ATOM 0 H LYS B 63 -0.286 -8.337 -20.915 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.082 -9.553 -18.434 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.524 -9.066 -21.079 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.302 -9.619 -19.609 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.621 -7.573 -18.418 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.683 -7.037 -19.798 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -3.802 -5.819 -19.750 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.781 -6.868 -21.154 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.103 -8.581 -19.891 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.125 -7.530 -18.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.146 -7.328 -19.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.291 -5.861 -19.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.269 -6.880 -21.152 1.00 0.00 H new ATOM 990 N ASP B 64 -0.664 -11.368 -21.158 1.00 0.00 N ATOM 991 CA ASP B 64 -0.576 -12.726 -21.662 1.00 0.00 C ATOM 992 C ASP B 64 0.546 -13.475 -20.961 1.00 0.00 C ATOM 993 O ASP B 64 0.506 -14.695 -20.859 1.00 0.00 O ATOM 994 CB ASP B 64 -0.311 -12.647 -23.160 1.00 0.00 C ATOM 995 CG ASP B 64 -0.467 -14.006 -23.841 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.583 -14.566 -23.768 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.533 -14.474 -24.430 1.00 0.00 O ATOM 0 H ASP B 64 -0.383 -10.652 -21.828 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.504 -13.265 -21.471 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -0.999 -11.933 -23.613 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.697 -12.270 -23.330 1.00 0.00 H new ATOM 1002 N ALA B 65 1.544 -12.734 -20.478 1.00 0.00 N ATOM 1003 CA ALA B 65 2.585 -13.305 -19.642 1.00 0.00 C ATOM 1004 C ALA B 65 2.082 -13.417 -18.205 1.00 0.00 C ATOM 1005 O ALA B 65 2.246 -14.452 -17.565 1.00 0.00 O ATOM 1006 CB ALA B 65 3.838 -12.431 -19.695 1.00 0.00 C ATOM 0 H ALA B 65 1.648 -11.735 -20.656 1.00 0.00 H new ATOM 0 HA ALA B 65 2.838 -14.299 -20.011 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.613 -12.867 -19.065 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.197 -12.371 -20.723 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.599 -11.430 -19.335 1.00 0.00 H new ATOM 1012 N ALA B 66 1.462 -12.354 -17.692 1.00 0.00 N ATOM 1013 CA ALA B 66 1.059 -12.299 -16.298 1.00 0.00 C ATOM 1014 C ALA B 66 -0.091 -13.262 -15.996 1.00 0.00 C ATOM 1015 O ALA B 66 -0.352 -13.556 -14.828 1.00 0.00 O ATOM 1016 CB ALA B 66 0.690 -10.850 -15.958 1.00 0.00 C ATOM 0 H ALA B 66 1.230 -11.519 -18.229 1.00 0.00 H new ATOM 0 HA ALA B 66 1.889 -12.622 -15.670 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.384 -10.788 -14.914 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.554 -10.206 -16.122 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.131 -10.524 -16.597 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.783 -13.758 -17.024 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.794 -14.797 -16.877 1.00 0.00 C ATOM 1024 C ARG B 67 -1.252 -16.191 -17.181 1.00 0.00 C ATOM 1025 O ARG B 67 -2.029 -17.143 -17.234 1.00 0.00 O ATOM 1026 CB ARG B 67 -3.006 -14.487 -17.767 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.950 -13.485 -17.096 1.00 0.00 C ATOM 1028 CD ARG B 67 -3.500 -12.034 -17.204 1.00 0.00 C ATOM 1029 NE ARG B 67 -4.392 -11.151 -16.444 1.00 0.00 N ATOM 1030 CZ ARG B 67 -5.577 -10.712 -16.880 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -6.032 -11.048 -18.083 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -6.316 -9.925 -16.105 1.00 0.00 N ATOM 0 H ARG B 67 -0.654 -13.445 -17.986 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.102 -14.799 -15.832 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.665 -14.085 -18.721 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.546 -15.409 -17.984 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.940 -13.581 -17.542 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -4.049 -13.746 -16.042 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -2.481 -11.937 -16.831 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.486 -11.730 -18.251 1.00 0.00 H new ATOM 0 HE ARG B 67 -4.087 -10.851 -15.518 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -5.475 -11.650 -18.689 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -6.939 -10.704 -18.400 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -5.979 -9.658 -15.180 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -7.221 -9.588 -16.435 1.00 0.00 H new ATOM 1046 N ASP B 68 0.061 -16.344 -17.382 1.00 0.00 N ATOM 1047 CA ASP B 68 0.631 -17.605 -17.806 1.00 0.00 C ATOM 1048 C ASP B 68 1.754 -17.988 -16.869 1.00 0.00 C ATOM 1049 O ASP B 68 1.768 -19.065 -16.278 1.00 0.00 O ATOM 1050 CB ASP B 68 1.238 -17.376 -19.183 1.00 0.00 C ATOM 1051 CG ASP B 68 0.365 -17.938 -20.305 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.832 -17.581 -20.345 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.899 -18.727 -21.116 1.00 0.00 O ATOM 0 H ASP B 68 0.745 -15.598 -17.254 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.129 -18.386 -17.814 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.383 -16.307 -19.340 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.223 -17.841 -19.225 1.00 0.00 H new ATOM 1058 N MET B 69 2.696 -17.057 -16.758 1.00 0.00 N ATOM 1059 CA MET B 69 3.903 -17.169 -15.979 1.00 0.00 C ATOM 1060 C MET B 69 3.630 -17.010 -14.486 1.00 0.00 C ATOM 1061 O MET B 69 4.474 -17.358 -13.665 1.00 0.00 O ATOM 1062 CB MET B 69 4.796 -16.044 -16.474 1.00 0.00 C ATOM 1063 CG MET B 69 5.644 -16.435 -17.674 1.00 0.00 C ATOM 1064 SD MET B 69 7.421 -16.444 -17.342 1.00 0.00 S ATOM 1065 CE MET B 69 7.412 -17.681 -16.027 1.00 0.00 C ATOM 0 H MET B 69 2.625 -16.160 -17.238 1.00 0.00 H new ATOM 0 HA MET B 69 4.360 -18.152 -16.098 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.177 -15.187 -16.739 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.451 -15.725 -15.663 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.342 -17.426 -18.012 1.00 0.00 H new ATOM 0 HG3 MET B 69 5.440 -15.743 -18.492 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.299 -17.558 -15.406 1.00 0.00 H new ATOM 0 HE2 MET B 69 6.520 -17.554 -15.414 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.412 -18.679 -16.466 1.00 0.00 H new ATOM 1075 N ASN B 70 2.460 -16.487 -14.117 1.00 0.00 N ATOM 1076 CA ASN B 70 2.120 -16.302 -12.719 1.00 0.00 C ATOM 1077 C ASN B 70 1.797 -17.655 -12.086 1.00 0.00 C ATOM 1078 O ASN B 70 0.926 -18.379 -12.566 1.00 0.00 O ATOM 1079 CB ASN B 70 0.945 -15.328 -12.614 1.00 0.00 C ATOM 1080 CG ASN B 70 0.573 -15.016 -11.173 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.343 -15.272 -10.254 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.617 -14.463 -10.964 1.00 0.00 N ATOM 0 H ASN B 70 1.737 -16.187 -14.771 1.00 0.00 H new ATOM 0 HA ASN B 70 2.963 -15.876 -12.175 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.198 -14.401 -13.129 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.080 -15.751 -13.126 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.915 -14.238 -10.015 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.232 -14.264 -11.753 1.00 0.00 H new ATOM 1089 N GLY B 71 2.508 -17.990 -11.008 1.00 0.00 N ATOM 1090 CA GLY B 71 2.301 -19.223 -10.262 1.00 0.00 C ATOM 1091 C GLY B 71 3.172 -20.358 -10.797 1.00 0.00 C ATOM 1092 O GLY B 71 3.218 -21.430 -10.197 1.00 0.00 O ATOM 0 H GLY B 71 3.251 -17.403 -10.628 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.529 -19.054 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.251 -19.511 -10.319 1.00 0.00 H new ATOM 1096 N LYS B 72 3.863 -20.126 -11.918 1.00 0.00 N ATOM 1097 CA LYS B 72 4.819 -21.040 -12.493 1.00 0.00 C ATOM 1098 C LYS B 72 6.158 -20.870 -11.799 1.00 0.00 C ATOM 1099 O LYS B 72 6.223 -20.456 -10.646 1.00 0.00 O ATOM 1100 CB LYS B 72 4.937 -20.726 -13.974 1.00 0.00 C ATOM 1101 CG LYS B 72 3.588 -20.743 -14.693 1.00 0.00 C ATOM 1102 CD LYS B 72 2.895 -22.096 -14.534 1.00 0.00 C ATOM 1103 CE LYS B 72 1.641 -22.140 -15.405 1.00 0.00 C ATOM 1104 NZ LYS B 72 0.612 -21.197 -14.925 1.00 0.00 N ATOM 0 H LYS B 72 3.759 -19.266 -12.457 1.00 0.00 H new ATOM 0 HA LYS B 72 4.497 -22.073 -12.364 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.397 -19.745 -14.097 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.602 -21.451 -14.443 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.950 -19.955 -14.293 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.734 -20.528 -15.752 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.575 -22.899 -14.819 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.629 -22.258 -13.489 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.904 -21.899 -16.435 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.235 -23.152 -15.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.327 -21.524 -15.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 0.643 -21.149 -13.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.795 -20.253 -15.321 1.00 0.00 H new ATOM 1118 N SER B 73 7.226 -21.195 -12.517 1.00 0.00 N ATOM 1119 CA SER B 73 8.574 -21.192 -11.989 1.00 0.00 C ATOM 1120 C SER B 73 9.580 -20.640 -12.978 1.00 0.00 C ATOM 1121 O SER B 73 9.343 -20.614 -14.186 1.00 0.00 O ATOM 1122 CB SER B 73 8.890 -22.634 -11.620 1.00 0.00 C ATOM 1123 OG SER B 73 10.155 -22.752 -11.007 1.00 0.00 O ATOM 0 H SER B 73 7.173 -21.472 -13.497 1.00 0.00 H new ATOM 0 HA SER B 73 8.641 -20.536 -11.121 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.122 -23.013 -10.946 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.861 -23.253 -12.516 1.00 0.00 H new ATOM 0 HG SER B 73 10.323 -23.691 -10.782 1.00 0.00 H new ATOM 1129 N LEU B 74 10.712 -20.201 -12.431 1.00 0.00 N ATOM 1130 CA LEU B 74 11.820 -19.695 -13.209 1.00 0.00 C ATOM 1131 C LEU B 74 13.082 -20.352 -12.698 1.00 0.00 C ATOM 1132 O LEU B 74 13.361 -20.299 -11.502 1.00 0.00 O ATOM 1133 CB LEU B 74 11.966 -18.184 -13.048 1.00 0.00 C ATOM 1134 CG LEU B 74 12.312 -17.458 -14.347 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.457 -18.093 -15.132 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.078 -17.421 -15.238 1.00 0.00 C ATOM 0 H LEU B 74 10.879 -20.190 -11.425 1.00 0.00 H new ATOM 0 HA LEU B 74 11.644 -19.915 -14.262 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.035 -17.778 -12.652 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.742 -17.980 -12.310 1.00 0.00 H new ATOM 0 HG LEU B 74 12.642 -16.460 -14.060 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.639 -17.517 -16.040 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.359 -18.099 -14.519 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.192 -19.116 -15.398 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.316 -16.904 -16.168 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.759 -18.439 -15.460 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.274 -16.893 -14.725 1.00 0.00 H new ATOM 1148 N ASP B 75 13.835 -20.959 -13.612 1.00 0.00 N ATOM 1149 CA ASP B 75 15.070 -21.663 -13.313 1.00 0.00 C ATOM 1150 C ASP B 75 14.897 -22.851 -12.374 1.00 0.00 C ATOM 1151 O ASP B 75 15.718 -23.768 -12.370 1.00 0.00 O ATOM 1152 CB ASP B 75 16.065 -20.654 -12.736 1.00 0.00 C ATOM 1153 CG ASP B 75 17.513 -21.087 -12.966 1.00 0.00 C ATOM 1154 OD1 ASP B 75 17.952 -22.047 -12.293 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.170 -20.449 -13.818 1.00 0.00 O ATOM 0 H ASP B 75 13.594 -20.973 -14.603 1.00 0.00 H new ATOM 0 HA ASP B 75 15.440 -22.094 -14.243 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.900 -19.679 -13.194 1.00 0.00 H new ATOM 0 HB3 ASP B 75 15.886 -20.538 -11.667 1.00 0.00 H new ATOM 1160 N GLY B 76 13.833 -22.845 -11.578 1.00 0.00 N ATOM 1161 CA GLY B 76 13.573 -23.910 -10.644 1.00 0.00 C ATOM 1162 C GLY B 76 12.766 -23.445 -9.431 1.00 0.00 C ATOM 1163 O GLY B 76 12.374 -24.272 -8.612 1.00 0.00 O ATOM 0 H GLY B 76 13.135 -22.101 -11.569 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.032 -24.709 -11.151 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.520 -24.331 -10.306 1.00 0.00 H new ATOM 1167 N LYS B 77 12.519 -22.134 -9.304 1.00 0.00 N ATOM 1168 CA LYS B 77 11.856 -21.557 -8.143 1.00 0.00 C ATOM 1169 C LYS B 77 10.542 -20.909 -8.558 1.00 0.00 C ATOM 1170 O LYS B 77 10.491 -20.191 -9.554 1.00 0.00 O ATOM 1171 CB LYS B 77 12.781 -20.552 -7.449 1.00 0.00 C ATOM 1172 CG LYS B 77 14.167 -21.143 -7.179 1.00 0.00 C ATOM 1173 CD LYS B 77 14.111 -22.369 -6.263 1.00 0.00 C ATOM 1174 CE LYS B 77 15.461 -23.094 -6.259 1.00 0.00 C ATOM 1175 NZ LYS B 77 16.547 -22.231 -5.758 1.00 0.00 N ATOM 0 H LYS B 77 12.778 -21.446 -10.012 1.00 0.00 H new ATOM 0 HA LYS B 77 11.629 -22.349 -7.430 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.881 -19.662 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.332 -20.235 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.631 -21.421 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.801 -20.382 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.853 -22.062 -5.249 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.327 -23.048 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.392 -23.987 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.698 -23.426 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 17.377 -22.815 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 16.802 -21.535 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 16.228 -21.734 -4.902 1.00 0.00 H new ATOM 1189 N ALA B 78 9.480 -21.168 -7.793 1.00 0.00 N ATOM 1190 CA ALA B 78 8.145 -20.713 -8.144 1.00 0.00 C ATOM 1191 C ALA B 78 8.010 -19.200 -7.985 1.00 0.00 C ATOM 1192 O ALA B 78 8.517 -18.629 -7.020 1.00 0.00 O ATOM 1193 CB ALA B 78 7.111 -21.461 -7.305 1.00 0.00 C ATOM 0 H ALA B 78 9.526 -21.695 -6.921 1.00 0.00 H new ATOM 0 HA ALA B 78 7.965 -20.934 -9.196 1.00 0.00 H new ATOM 0 HB1 ALA B 78 6.111 -21.118 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.191 -22.531 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.292 -21.269 -6.248 1.00 0.00 H new ATOM 1199 N ILE B 79 7.324 -18.555 -8.935 1.00 0.00 N ATOM 1200 CA ILE B 79 7.215 -17.103 -8.982 1.00 0.00 C ATOM 1201 C ILE B 79 5.783 -16.579 -8.997 1.00 0.00 C ATOM 1202 O ILE B 79 4.810 -17.327 -9.074 1.00 0.00 O ATOM 1203 CB ILE B 79 7.948 -16.571 -10.219 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.186 -16.909 -11.511 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.367 -17.125 -10.284 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.836 -16.238 -12.719 1.00 0.00 C ATOM 0 H ILE B 79 6.831 -19.030 -9.691 1.00 0.00 H new ATOM 0 HA ILE B 79 7.669 -16.743 -8.059 1.00 0.00 H new ATOM 0 HB ILE B 79 7.998 -15.486 -10.130 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.169 -17.989 -11.656 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.150 -16.583 -11.423 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.870 -16.735 -11.169 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.917 -16.823 -9.392 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.331 -18.213 -10.337 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.278 -16.493 -13.620 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.830 -15.157 -12.582 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.864 -16.585 -12.818 1.00 0.00 H new ATOM 1218 N LYS B 80 5.693 -15.249 -8.924 1.00 0.00 N ATOM 1219 CA LYS B 80 4.486 -14.461 -9.076 1.00 0.00 C ATOM 1220 C LYS B 80 4.699 -13.505 -10.240 1.00 0.00 C ATOM 1221 O LYS B 80 5.810 -13.011 -10.421 1.00 0.00 O ATOM 1222 CB LYS B 80 4.237 -13.650 -7.802 1.00 0.00 C ATOM 1223 CG LYS B 80 2.868 -12.959 -7.859 1.00 0.00 C ATOM 1224 CD LYS B 80 2.753 -11.902 -6.761 1.00 0.00 C ATOM 1225 CE LYS B 80 1.329 -11.348 -6.742 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.182 -10.303 -5.714 1.00 0.00 N ATOM 0 H LYS B 80 6.512 -14.668 -8.747 1.00 0.00 H new ATOM 0 HA LYS B 80 3.630 -15.111 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.283 -14.306 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS B 80 5.022 -12.904 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.730 -12.494 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.076 -13.699 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.999 -12.338 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.466 -11.097 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.082 -10.937 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.623 -12.156 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 0.206 -9.943 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 1.396 -10.704 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 1.840 -9.523 -5.915 1.00 0.00 H new ATOM 1240 N VAL B 81 3.650 -13.234 -11.021 1.00 0.00 N ATOM 1241 CA VAL B 81 3.720 -12.230 -12.074 1.00 0.00 C ATOM 1242 C VAL B 81 2.458 -11.381 -12.035 1.00 0.00 C ATOM 1243 O VAL B 81 1.351 -11.915 -12.008 1.00 0.00 O ATOM 1244 CB VAL B 81 3.931 -12.875 -13.445 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.060 -11.788 -14.510 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.219 -13.698 -13.447 1.00 0.00 C ATOM 0 H VAL B 81 2.745 -13.698 -10.940 1.00 0.00 H new ATOM 0 HA VAL B 81 4.582 -11.586 -11.902 1.00 0.00 H new ATOM 0 HB VAL B 81 3.077 -13.518 -13.659 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.210 -12.250 -15.486 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.150 -11.188 -14.529 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.912 -11.149 -14.276 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.359 -14.152 -14.428 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.066 -13.049 -13.224 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.152 -14.480 -12.691 1.00 0.00 H new ATOM 1256 N GLU B 82 2.633 -10.061 -12.035 1.00 0.00 N ATOM 1257 CA GLU B 82 1.525 -9.123 -11.913 1.00 0.00 C ATOM 1258 C GLU B 82 1.976 -7.753 -12.414 1.00 0.00 C ATOM 1259 O GLU B 82 3.175 -7.525 -12.544 1.00 0.00 O ATOM 1260 CB GLU B 82 1.122 -9.054 -10.436 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.135 -8.214 -10.189 1.00 0.00 C ATOM 1262 CD GLU B 82 -1.317 -8.702 -11.026 1.00 0.00 C ATOM 1263 OE1 GLU B 82 -2.021 -9.622 -10.555 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.505 -8.148 -12.132 1.00 0.00 O ATOM 0 H GLU B 82 3.546 -9.615 -12.120 1.00 0.00 H new ATOM 0 HA GLU B 82 0.670 -9.445 -12.508 1.00 0.00 H new ATOM 0 HB2 GLU B 82 0.954 -10.065 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.948 -8.637 -9.860 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.397 -8.254 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.073 -7.171 -10.427 1.00 0.00 H new ATOM 1271 N GLN B 83 1.047 -6.836 -12.699 1.00 0.00 N ATOM 1272 CA GLN B 83 1.414 -5.473 -13.040 1.00 0.00 C ATOM 1273 C GLN B 83 2.146 -4.868 -11.845 1.00 0.00 C ATOM 1274 O GLN B 83 1.742 -5.051 -10.697 1.00 0.00 O ATOM 1275 CB GLN B 83 0.150 -4.685 -13.401 1.00 0.00 C ATOM 1276 CG GLN B 83 0.341 -3.169 -13.385 1.00 0.00 C ATOM 1277 CD GLN B 83 1.318 -2.645 -14.428 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.312 -3.069 -15.581 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.163 -1.707 -14.011 1.00 0.00 N ATOM 0 H GLN B 83 0.043 -7.018 -12.699 1.00 0.00 H new ATOM 0 HA GLN B 83 2.076 -5.442 -13.906 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.185 -4.989 -14.393 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.643 -4.949 -12.702 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.627 -2.692 -13.540 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.689 -2.870 -12.396 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.131 -1.386 -13.044 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.843 -1.309 -14.659 1.00 0.00 H new ATOM 1288 N ALA B 84 3.233 -4.147 -12.115 1.00 0.00 N ATOM 1289 CA ALA B 84 4.098 -3.635 -11.069 1.00 0.00 C ATOM 1290 C ALA B 84 3.544 -2.377 -10.407 1.00 0.00 C ATOM 1291 O ALA B 84 2.711 -1.670 -10.978 1.00 0.00 O ATOM 1292 CB ALA B 84 5.467 -3.324 -11.666 1.00 0.00 C ATOM 0 H ALA B 84 3.532 -3.906 -13.060 1.00 0.00 H new ATOM 0 HA ALA B 84 4.168 -4.402 -10.298 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.125 -2.938 -10.887 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.896 -4.234 -12.086 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.360 -2.577 -12.453 1.00 0.00 H new ATOM 1298 N THR B 85 4.029 -2.113 -9.194 1.00 0.00 N ATOM 1299 CA THR B 85 3.788 -0.860 -8.497 1.00 0.00 C ATOM 1300 C THR B 85 5.120 -0.217 -8.153 1.00 0.00 C ATOM 1301 O THR B 85 6.182 -0.814 -8.334 1.00 0.00 O ATOM 1302 CB THR B 85 2.965 -1.069 -7.226 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.616 -1.984 -6.372 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.573 -1.601 -7.574 1.00 0.00 C ATOM 0 H THR B 85 4.604 -2.771 -8.668 1.00 0.00 H new ATOM 0 HA THR B 85 3.215 -0.206 -9.155 1.00 0.00 H new ATOM 0 HB THR B 85 2.864 -0.109 -6.719 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.082 -2.110 -5.560 1.00 0.00 H new ATOM 0 HG21 THR B 85 0.999 -1.745 -6.659 1.00 0.00 H new ATOM 0 HG22 THR B 85 1.060 -0.885 -8.215 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.667 -2.553 -8.096 1.00 0.00 H new