USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 44 SER OG : rot -152:sc= 0.382 USER MOD Set 1.2: B 144 SER OG : rot -10:sc= 0.464 USER MOD Single : A 15 SER OG : rot 180:sc= 0.267 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -162:sc= -0.11 (180deg=-0.671) USER MOD Single : A 34 MET CE :methyl -176:sc= -0.0764 (180deg=-0.146) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.948 K(o=0.95,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 68:sc= 0.347 USER MOD Single : A 49 LYS NZ :NH3+ -149:sc= 1.26 (180deg=1.1) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= 2.24 (180deg=1.64) USER MOD Single : A 55 ASN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : B 115 SER OG : rot 180:sc= 0.043 USER MOD Single : B 120 GLN : amide:sc= 0.678 K(o=0.68,f=0) USER MOD Single : B 122 MET CE :methyl -169:sc= -0.0256 (180deg=-0.128) USER MOD Single : B 133 SER OG : rot 29:sc= 0.0938 USER MOD Single : B 134 MET CE :methyl -167:sc= -0.0696 (180deg=-0.302) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 138 GLN : amide:sc= -0.385 K(o=-0.39,f=-1.3) USER MOD Single : B 139 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 75:sc= 0.742 USER MOD Single : B 149 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0.89) USER MOD Single : B 152 LYS NZ :NH3+ -163:sc= 2.41 (180deg=1.8) USER MOD Single : B 155 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -7.328 12.397 1.369 1.00 0.00 N ATOM 115 CA PRO A 10 -8.588 11.730 1.016 1.00 0.00 C ATOM 116 C PRO A 10 -8.445 10.612 -0.038 1.00 0.00 C ATOM 117 O PRO A 10 -7.439 10.503 -0.744 1.00 0.00 O ATOM 118 CB PRO A 10 -9.526 12.847 0.534 1.00 0.00 C ATOM 119 CG PRO A 10 -8.566 13.917 0.032 1.00 0.00 C ATOM 120 CD PRO A 10 -7.414 13.810 1.027 1.00 0.00 C ATOM 0 HA PRO A 10 -8.979 11.204 1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.191 12.500 -0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.157 13.219 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.240 13.724 -0.990 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.020 14.908 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.482 14.165 0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.602 14.418 1.912 1.00 0.00 H new ATOM 128 N ILE A 11 -9.482 9.774 -0.147 1.00 0.00 N ATOM 129 CA ILE A 11 -9.462 8.532 -0.941 1.00 0.00 C ATOM 130 C ILE A 11 -9.180 8.732 -2.442 1.00 0.00 C ATOM 131 O ILE A 11 -8.455 7.939 -3.049 1.00 0.00 O ATOM 132 CB ILE A 11 -10.738 7.707 -0.693 1.00 0.00 C ATOM 133 CG1 ILE A 11 -10.602 6.344 -1.398 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.028 8.433 -1.121 1.00 0.00 C ATOM 135 CD1 ILE A 11 -11.561 5.296 -0.837 1.00 0.00 C ATOM 0 H ILE A 11 -10.374 9.939 0.320 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.603 7.964 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.834 7.560 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.790 6.470 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.578 5.986 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -12.889 7.795 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.125 9.363 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.984 8.655 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.423 4.355 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.357 5.147 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.588 5.638 -0.964 1.00 0.00 H new ATOM 147 N ASP A 12 -9.692 9.812 -3.036 1.00 0.00 N ATOM 148 CA ASP A 12 -9.459 10.137 -4.447 1.00 0.00 C ATOM 149 C ASP A 12 -7.987 10.476 -4.748 1.00 0.00 C ATOM 150 O ASP A 12 -7.524 10.288 -5.879 1.00 0.00 O ATOM 151 CB ASP A 12 -10.357 11.306 -4.877 1.00 0.00 C ATOM 152 CG ASP A 12 -11.871 11.024 -4.830 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.660 12.002 -4.846 1.00 0.00 O ATOM 154 OD2 ASP A 12 -12.293 9.842 -4.830 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.282 10.489 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.708 9.243 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.143 12.162 -4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.089 11.594 -5.894 1.00 0.00 H new ATOM 159 N GLU A 13 -7.232 10.944 -3.749 1.00 0.00 N ATOM 160 CA GLU A 13 -5.785 11.169 -3.861 1.00 0.00 C ATOM 161 C GLU A 13 -5.000 9.868 -3.649 1.00 0.00 C ATOM 162 O GLU A 13 -4.246 9.462 -4.529 1.00 0.00 O ATOM 163 CB GLU A 13 -5.323 12.269 -2.891 1.00 0.00 C ATOM 164 CG GLU A 13 -5.983 13.639 -3.127 1.00 0.00 C ATOM 165 CD GLU A 13 -5.726 14.232 -4.529 1.00 0.00 C ATOM 166 OE1 GLU A 13 -6.654 14.865 -5.094 1.00 0.00 O ATOM 167 OE2 GLU A 13 -4.594 14.115 -5.068 1.00 0.00 O1- ATOM 0 H GLU A 13 -7.610 11.180 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.577 11.512 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.533 11.949 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.242 12.380 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.058 13.542 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.618 14.340 -2.376 1.00 0.00 H new ATOM 174 N LEU A 14 -5.194 9.165 -2.523 1.00 0.00 N ATOM 175 CA LEU A 14 -4.399 7.971 -2.192 1.00 0.00 C ATOM 176 C LEU A 14 -4.549 6.837 -3.227 1.00 0.00 C ATOM 177 O LEU A 14 -3.569 6.155 -3.540 1.00 0.00 O ATOM 178 CB LEU A 14 -4.693 7.511 -0.748 1.00 0.00 C ATOM 179 CG LEU A 14 -6.071 6.892 -0.499 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.070 5.380 -0.660 1.00 0.00 C ATOM 181 CD2 LEU A 14 -6.543 7.153 0.929 1.00 0.00 C ATOM 0 H LEU A 14 -5.897 9.403 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.347 8.253 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.934 6.783 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.579 8.369 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.726 7.356 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.072 4.993 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.766 5.122 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.372 4.939 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.524 6.702 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.834 6.717 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.609 8.228 1.100 1.00 0.00 H new ATOM 193 N SER A 15 -5.741 6.671 -3.816 1.00 0.00 N ATOM 194 CA SER A 15 -6.004 5.672 -4.865 1.00 0.00 C ATOM 195 C SER A 15 -5.241 5.959 -6.163 1.00 0.00 C ATOM 196 O SER A 15 -4.779 5.033 -6.832 1.00 0.00 O ATOM 197 CB SER A 15 -7.512 5.613 -5.136 1.00 0.00 C ATOM 198 OG SER A 15 -7.808 4.732 -6.206 1.00 0.00 O ATOM 0 H SER A 15 -6.559 7.231 -3.576 1.00 0.00 H new ATOM 0 HA SER A 15 -5.646 4.708 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.033 5.284 -4.237 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.881 6.611 -5.371 1.00 0.00 H new ATOM 0 HG SER A 15 -8.776 4.713 -6.356 1.00 0.00 H new ATOM 204 N ALA A 16 -5.050 7.229 -6.520 1.00 0.00 N ATOM 205 CA ALA A 16 -4.204 7.622 -7.646 1.00 0.00 C ATOM 206 C ALA A 16 -2.707 7.548 -7.281 1.00 0.00 C ATOM 207 O ALA A 16 -1.897 7.083 -8.081 1.00 0.00 O ATOM 208 CB ALA A 16 -4.600 9.036 -8.081 1.00 0.00 C ATOM 0 H ALA A 16 -5.479 8.017 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.356 6.928 -8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.978 9.346 -8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.647 9.044 -8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.456 9.726 -7.250 1.00 0.00 H new ATOM 214 N LEU A 17 -2.332 7.962 -6.067 1.00 0.00 N ATOM 215 CA LEU A 17 -0.939 7.978 -5.598 1.00 0.00 C ATOM 216 C LEU A 17 -0.325 6.578 -5.521 1.00 0.00 C ATOM 217 O LEU A 17 0.818 6.416 -5.942 1.00 0.00 O ATOM 218 CB LEU A 17 -0.855 8.715 -4.241 1.00 0.00 C ATOM 219 CG LEU A 17 -0.413 10.186 -4.345 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.314 11.054 -5.226 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.384 10.798 -2.945 1.00 0.00 C ATOM 0 H LEU A 17 -2.996 8.301 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.344 8.520 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.831 8.675 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.157 8.183 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 17 0.571 10.172 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.931 12.074 -5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.327 10.653 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.327 11.054 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.072 11.840 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.379 10.744 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.320 10.247 -2.321 1.00 0.00 H new ATOM 233 N LEU A 18 -1.044 5.550 -5.051 1.00 0.00 N ATOM 234 CA LEU A 18 -0.504 4.181 -5.024 1.00 0.00 C ATOM 235 C LEU A 18 -0.221 3.643 -6.436 1.00 0.00 C ATOM 236 O LEU A 18 0.793 2.977 -6.655 1.00 0.00 O ATOM 237 CB LEU A 18 -1.404 3.259 -4.172 1.00 0.00 C ATOM 238 CG LEU A 18 -2.747 2.825 -4.800 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.647 1.504 -5.566 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.782 2.618 -3.702 1.00 0.00 C ATOM 0 H LEU A 18 -1.993 5.637 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 18 0.469 4.202 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.837 2.361 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.617 3.767 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.029 3.618 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.621 1.251 -5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.921 1.605 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.327 0.713 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.729 2.312 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.436 1.844 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.923 3.550 -3.155 1.00 0.00 H new ATOM 252 N ARG A 19 -1.064 3.993 -7.415 1.00 0.00 N ATOM 253 CA ARG A 19 -0.858 3.646 -8.832 1.00 0.00 C ATOM 254 C ARG A 19 0.292 4.445 -9.455 1.00 0.00 C ATOM 255 O ARG A 19 1.110 3.869 -10.169 1.00 0.00 O ATOM 256 CB ARG A 19 -2.185 3.799 -9.594 1.00 0.00 C ATOM 257 CG ARG A 19 -3.186 2.714 -9.158 1.00 0.00 C ATOM 258 CD ARG A 19 -4.516 2.798 -9.909 1.00 0.00 C ATOM 259 NE ARG A 19 -5.453 3.752 -9.297 1.00 0.00 N ATOM 260 CZ ARG A 19 -6.626 4.114 -9.785 1.00 0.00 C ATOM 261 NH1 ARG A 19 -7.041 3.741 -10.959 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -7.422 4.864 -9.084 1.00 0.00 N ATOM 0 H ARG A 19 -1.916 4.529 -7.248 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.551 2.603 -8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.606 4.787 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.006 3.726 -10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.743 1.731 -9.321 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.372 2.806 -8.088 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.328 3.091 -10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.976 1.810 -9.937 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.171 4.174 -8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.453 3.145 -11.542 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.954 4.044 -11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.142 5.175 -8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.327 5.142 -9.464 1.00 0.00 H new ATOM 276 N GLN A 20 0.438 5.729 -9.109 1.00 0.00 N ATOM 277 CA GLN A 20 1.559 6.583 -9.502 1.00 0.00 C ATOM 278 C GLN A 20 2.910 6.090 -8.940 1.00 0.00 C ATOM 279 O GLN A 20 3.916 6.121 -9.651 1.00 0.00 O ATOM 280 CB GLN A 20 1.208 8.012 -9.060 1.00 0.00 C ATOM 281 CG GLN A 20 2.251 9.038 -9.506 1.00 0.00 C ATOM 282 CD GLN A 20 1.911 10.472 -9.088 1.00 0.00 C ATOM 283 OE1 GLN A 20 2.686 11.154 -8.428 1.00 0.00 O ATOM 284 NE2 GLN A 20 0.749 10.985 -9.433 1.00 0.00 N ATOM 0 H GLN A 20 -0.245 6.216 -8.529 1.00 0.00 H new ATOM 0 HA GLN A 20 1.700 6.551 -10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.236 8.286 -9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.117 8.041 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.220 8.766 -9.088 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.349 8.997 -10.591 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.091 10.433 -9.982 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.507 11.935 -9.151 1.00 0.00 H new ATOM 293 N GLU A 21 2.941 5.559 -7.711 1.00 0.00 N ATOM 294 CA GLU A 21 4.122 4.896 -7.128 1.00 0.00 C ATOM 295 C GLU A 21 4.553 3.646 -7.926 1.00 0.00 C ATOM 296 O GLU A 21 5.747 3.372 -8.054 1.00 0.00 O ATOM 297 CB GLU A 21 3.845 4.494 -5.663 1.00 0.00 C ATOM 298 CG GLU A 21 3.885 5.662 -4.662 1.00 0.00 C ATOM 299 CD GLU A 21 5.270 6.306 -4.504 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.282 5.680 -4.894 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.351 7.445 -3.985 1.00 0.00 O1- ATOM 0 H GLU A 21 2.138 5.576 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 21 4.938 5.617 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.865 4.019 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.578 3.747 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.176 6.425 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.550 5.304 -3.689 1.00 0.00 H new ATOM 308 N MET A 22 3.593 2.919 -8.510 1.00 0.00 N ATOM 309 CA MET A 22 3.824 1.803 -9.446 1.00 0.00 C ATOM 310 C MET A 22 4.072 2.231 -10.911 1.00 0.00 C ATOM 311 O MET A 22 4.328 1.378 -11.765 1.00 0.00 O ATOM 312 CB MET A 22 2.640 0.823 -9.353 1.00 0.00 C ATOM 313 CG MET A 22 2.804 -0.108 -8.150 1.00 0.00 C ATOM 314 SD MET A 22 1.396 -1.201 -7.820 1.00 0.00 S ATOM 315 CE MET A 22 0.355 -0.055 -6.878 1.00 0.00 C ATOM 0 H MET A 22 2.602 3.093 -8.342 1.00 0.00 H new ATOM 0 HA MET A 22 4.753 1.321 -9.140 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.707 1.379 -9.265 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.575 0.235 -10.268 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.691 -0.722 -8.305 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.987 0.499 -7.264 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.394 -0.618 -6.321 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.974 0.511 -6.182 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.142 0.632 -7.563 1.00 0.00 H new ATOM 325 N GLY A 23 4.000 3.530 -11.232 1.00 0.00 N ATOM 326 CA GLY A 23 4.127 4.052 -12.604 1.00 0.00 C ATOM 327 C GLY A 23 2.955 3.670 -13.521 1.00 0.00 C ATOM 328 O GLY A 23 3.134 3.532 -14.730 1.00 0.00 O ATOM 0 H GLY A 23 3.850 4.261 -10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.206 5.138 -12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.054 3.680 -13.040 1.00 0.00 H new ATOM 420 N MET A 34 -16.659 -3.745 -2.330 1.00 0.00 N ATOM 421 CA MET A 34 -15.774 -4.783 -1.789 1.00 0.00 C ATOM 422 C MET A 34 -14.833 -5.363 -2.868 1.00 0.00 C ATOM 423 O MET A 34 -13.659 -5.620 -2.607 1.00 0.00 O ATOM 424 CB MET A 34 -16.645 -5.890 -1.166 1.00 0.00 C ATOM 425 CG MET A 34 -15.852 -6.855 -0.275 1.00 0.00 C ATOM 426 SD MET A 34 -15.992 -6.574 1.517 1.00 0.00 S ATOM 427 CE MET A 34 -15.295 -4.911 1.693 1.00 0.00 C ATOM 0 HA MET A 34 -15.132 -4.339 -1.028 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.438 -5.430 -0.576 1.00 0.00 H new ATOM 0 HB3 MET A 34 -17.127 -6.455 -1.963 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.180 -7.872 -0.491 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.800 -6.794 -0.552 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.254 -4.643 2.749 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.289 -4.892 1.275 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.922 -4.195 1.161 1.00 0.00 H new ATOM 437 N GLN A 35 -15.325 -5.510 -4.104 1.00 0.00 N ATOM 438 CA GLN A 35 -14.534 -5.973 -5.254 1.00 0.00 C ATOM 439 C GLN A 35 -13.475 -4.945 -5.703 1.00 0.00 C ATOM 440 O GLN A 35 -12.443 -5.322 -6.256 1.00 0.00 O ATOM 441 CB GLN A 35 -15.472 -6.315 -6.421 1.00 0.00 C ATOM 442 CG GLN A 35 -16.498 -7.410 -6.062 1.00 0.00 C ATOM 443 CD GLN A 35 -17.272 -7.921 -7.282 1.00 0.00 C ATOM 444 OE1 GLN A 35 -16.737 -8.146 -8.365 1.00 0.00 O ATOM 445 NE2 GLN A 35 -18.567 -8.135 -7.158 1.00 0.00 N ATOM 0 H GLN A 35 -16.297 -5.308 -4.338 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.991 -6.864 -4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -16.002 -5.414 -6.731 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.878 -6.645 -7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.981 -8.245 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -17.202 -7.016 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -19.031 -7.955 -6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -19.105 -8.481 -7.952 1.00 0.00 H new ATOM 454 N ASP A 36 -13.698 -3.648 -5.461 1.00 0.00 N ATOM 455 CA ASP A 36 -12.762 -2.572 -5.818 1.00 0.00 C ATOM 456 C ASP A 36 -11.608 -2.469 -4.809 1.00 0.00 C ATOM 457 O ASP A 36 -10.448 -2.370 -5.216 1.00 0.00 O ATOM 458 CB ASP A 36 -13.492 -1.219 -5.937 1.00 0.00 C ATOM 459 CG ASP A 36 -14.702 -1.237 -6.894 1.00 0.00 C ATOM 460 OD1 ASP A 36 -14.706 -2.000 -7.895 1.00 0.00 O ATOM 461 OD2 ASP A 36 -15.661 -0.468 -6.643 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.546 -3.310 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.338 -2.823 -6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.830 -0.913 -4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.783 -0.465 -6.279 1.00 0.00 H new ATOM 466 N ILE A 37 -11.897 -2.553 -3.501 1.00 0.00 N ATOM 467 CA ILE A 37 -10.866 -2.627 -2.452 1.00 0.00 C ATOM 468 C ILE A 37 -10.062 -3.928 -2.540 1.00 0.00 C ATOM 469 O ILE A 37 -8.843 -3.869 -2.402 1.00 0.00 O ATOM 470 CB ILE A 37 -11.450 -2.375 -1.044 1.00 0.00 C ATOM 471 CG1 ILE A 37 -10.345 -2.419 0.039 1.00 0.00 C ATOM 472 CG2 ILE A 37 -12.599 -3.326 -0.698 1.00 0.00 C ATOM 473 CD1 ILE A 37 -10.842 -2.034 1.439 1.00 0.00 C ATOM 0 H ILE A 37 -12.851 -2.572 -3.140 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.160 -1.816 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.872 -1.370 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.923 -3.424 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.538 -1.745 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.969 -3.101 0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.406 -3.200 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.242 -4.355 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.014 -2.087 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.237 -1.018 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.628 -2.723 1.748 1.00 0.00 H new ATOM 485 N GLN A 38 -10.679 -5.076 -2.860 1.00 0.00 N ATOM 486 CA GLN A 38 -9.945 -6.330 -3.087 1.00 0.00 C ATOM 487 C GLN A 38 -8.890 -6.209 -4.208 1.00 0.00 C ATOM 488 O GLN A 38 -7.841 -6.843 -4.136 1.00 0.00 O ATOM 489 CB GLN A 38 -10.909 -7.492 -3.396 1.00 0.00 C ATOM 490 CG GLN A 38 -11.533 -8.118 -2.138 1.00 0.00 C ATOM 491 CD GLN A 38 -12.471 -9.272 -2.503 1.00 0.00 C ATOM 492 OE1 GLN A 38 -13.674 -9.109 -2.663 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.962 -10.481 -2.664 1.00 0.00 N ATOM 0 H GLN A 38 -11.690 -5.161 -2.968 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.414 -6.543 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.706 -7.130 -4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.372 -8.263 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.744 -8.481 -1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.085 -7.358 -1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.962 -10.635 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.569 -11.260 -2.918 1.00 0.00 H new ATOM 502 N GLN A 39 -9.135 -5.372 -5.229 1.00 0.00 N ATOM 503 CA GLN A 39 -8.158 -5.036 -6.273 1.00 0.00 C ATOM 504 C GLN A 39 -7.116 -4.017 -5.779 1.00 0.00 C ATOM 505 O GLN A 39 -5.925 -4.326 -5.760 1.00 0.00 O ATOM 506 CB GLN A 39 -8.888 -4.544 -7.537 1.00 0.00 C ATOM 507 CG GLN A 39 -9.619 -5.690 -8.254 1.00 0.00 C ATOM 508 CD GLN A 39 -10.557 -5.174 -9.342 1.00 0.00 C ATOM 509 OE1 GLN A 39 -10.198 -5.028 -10.503 1.00 0.00 O ATOM 510 NE2 GLN A 39 -11.800 -4.887 -9.022 1.00 0.00 N ATOM 0 H GLN A 39 -10.032 -4.903 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.604 -5.940 -6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.605 -3.769 -7.265 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.169 -4.088 -8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.888 -6.367 -8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.189 -6.268 -7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.118 -5.002 -8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.445 -4.549 -9.736 1.00 0.00 H new ATOM 519 N LEU A 40 -7.532 -2.818 -5.361 1.00 0.00 N ATOM 520 CA LEU A 40 -6.628 -1.711 -5.003 1.00 0.00 C ATOM 521 C LEU A 40 -5.698 -2.051 -3.823 1.00 0.00 C ATOM 522 O LEU A 40 -4.503 -1.763 -3.881 1.00 0.00 O ATOM 523 CB LEU A 40 -7.447 -0.443 -4.685 1.00 0.00 C ATOM 524 CG LEU A 40 -8.133 0.230 -5.887 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.107 1.310 -5.409 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.122 0.905 -6.821 1.00 0.00 C ATOM 0 H LEU A 40 -8.519 -2.582 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.987 -1.533 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.211 -0.701 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.786 0.285 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.656 -0.560 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.584 1.777 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.868 0.858 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.563 2.066 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.650 1.367 -7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.573 1.669 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.424 0.159 -7.201 1.00 0.00 H new ATOM 538 N LEU A 41 -6.221 -2.693 -2.775 1.00 0.00 N ATOM 539 CA LEU A 41 -5.464 -2.999 -1.557 1.00 0.00 C ATOM 540 C LEU A 41 -4.419 -4.110 -1.782 1.00 0.00 C ATOM 541 O LEU A 41 -3.302 -4.021 -1.269 1.00 0.00 O ATOM 542 CB LEU A 41 -6.484 -3.297 -0.440 1.00 0.00 C ATOM 543 CG LEU A 41 -5.931 -3.329 0.996 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.334 -1.986 1.407 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.070 -3.622 1.976 1.00 0.00 C ATOM 0 H LEU A 41 -7.188 -3.017 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.859 -2.145 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.272 -2.545 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.949 -4.260 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.159 -4.098 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.956 -2.053 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.517 -1.730 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.103 -1.215 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.678 -3.645 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.828 -2.843 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.516 -4.588 1.737 1.00 0.00 H new ATOM 557 N ALA A 42 -4.732 -5.107 -2.615 1.00 0.00 N ATOM 558 CA ALA A 42 -3.777 -6.136 -3.050 1.00 0.00 C ATOM 559 C ALA A 42 -2.715 -5.577 -4.024 1.00 0.00 C ATOM 560 O ALA A 42 -1.536 -5.930 -3.922 1.00 0.00 O ATOM 561 CB ALA A 42 -4.556 -7.287 -3.691 1.00 0.00 C ATOM 0 H ALA A 42 -5.664 -5.225 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.231 -6.495 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.860 -8.059 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.248 -7.708 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.115 -6.914 -4.549 1.00 0.00 H new ATOM 567 N LYS A 43 -3.098 -4.665 -4.929 1.00 0.00 N ATOM 568 CA LYS A 43 -2.184 -3.960 -5.840 1.00 0.00 C ATOM 569 C LYS A 43 -1.166 -3.109 -5.066 1.00 0.00 C ATOM 570 O LYS A 43 0.032 -3.181 -5.334 1.00 0.00 O ATOM 571 CB LYS A 43 -3.029 -3.126 -6.817 1.00 0.00 C ATOM 572 CG LYS A 43 -2.210 -2.695 -8.031 1.00 0.00 C ATOM 573 CD LYS A 43 -3.026 -1.771 -8.943 1.00 0.00 C ATOM 574 CE LYS A 43 -2.168 -1.167 -10.061 1.00 0.00 C ATOM 575 NZ LYS A 43 -1.755 -2.165 -11.079 1.00 0.00 N1+ ATOM 0 H LYS A 43 -4.073 -4.391 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.592 -4.678 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.890 -3.708 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.416 -2.245 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.307 -2.182 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.891 -3.575 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.852 -2.331 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.465 -0.969 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.727 -0.368 -10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.279 -0.713 -9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.178 -1.699 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.197 -2.915 -10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.600 -2.581 -11.520 1.00 0.00 H new ATOM 589 N SER A 44 -1.627 -2.381 -4.042 1.00 0.00 N ATOM 590 CA SER A 44 -0.764 -1.603 -3.140 1.00 0.00 C ATOM 591 C SER A 44 0.199 -2.503 -2.348 1.00 0.00 C ATOM 592 O SER A 44 1.390 -2.208 -2.258 1.00 0.00 O ATOM 593 CB SER A 44 -1.632 -0.766 -2.195 1.00 0.00 C ATOM 594 OG SER A 44 -0.853 0.230 -1.546 1.00 0.00 O ATOM 0 H SER A 44 -2.619 -2.314 -3.813 1.00 0.00 H new ATOM 0 HA SER A 44 -0.148 -0.939 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.439 -0.295 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.097 -1.413 -1.451 1.00 0.00 H new ATOM 0 HG SER A 44 -1.250 0.439 -0.675 1.00 0.00 H new ATOM 600 N LEU A 45 -0.273 -3.645 -1.833 1.00 0.00 N ATOM 601 CA LEU A 45 0.553 -4.645 -1.137 1.00 0.00 C ATOM 602 C LEU A 45 1.647 -5.247 -2.048 1.00 0.00 C ATOM 603 O LEU A 45 2.779 -5.450 -1.600 1.00 0.00 O ATOM 604 CB LEU A 45 -0.423 -5.678 -0.527 1.00 0.00 C ATOM 605 CG LEU A 45 0.132 -6.907 0.221 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.521 -8.044 -0.726 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.291 -6.579 1.160 1.00 0.00 C ATOM 0 H LEU A 45 -1.257 -3.907 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 45 1.135 -4.191 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.073 -5.142 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.054 -6.047 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.697 -7.248 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.905 -8.884 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.355 -8.363 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.290 -7.696 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.630 -7.491 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.112 -6.148 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.959 -5.863 1.912 1.00 0.00 H new ATOM 619 N THR A 46 1.367 -5.454 -3.337 1.00 0.00 N ATOM 620 CA THR A 46 2.367 -5.940 -4.312 1.00 0.00 C ATOM 621 C THR A 46 3.570 -4.981 -4.440 1.00 0.00 C ATOM 622 O THR A 46 4.713 -5.438 -4.552 1.00 0.00 O ATOM 623 CB THR A 46 1.712 -6.189 -5.684 1.00 0.00 C ATOM 624 OG1 THR A 46 0.702 -7.177 -5.580 1.00 0.00 O ATOM 625 CG2 THR A 46 2.699 -6.702 -6.734 1.00 0.00 C ATOM 0 H THR A 46 0.445 -5.292 -3.741 1.00 0.00 H new ATOM 0 HA THR A 46 2.754 -6.887 -3.935 1.00 0.00 H new ATOM 0 HB THR A 46 1.315 -5.222 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.045 -6.827 -5.052 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.177 -6.858 -7.678 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.494 -5.969 -6.875 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.130 -7.645 -6.398 1.00 0.00 H new ATOM 633 N GLU A 47 3.354 -3.660 -4.357 1.00 0.00 N ATOM 634 CA GLU A 47 4.435 -2.655 -4.361 1.00 0.00 C ATOM 635 C GLU A 47 5.261 -2.682 -3.054 1.00 0.00 C ATOM 636 O GLU A 47 6.487 -2.553 -3.097 1.00 0.00 O ATOM 637 CB GLU A 47 3.822 -1.264 -4.628 1.00 0.00 C ATOM 638 CG GLU A 47 4.808 -0.087 -4.721 1.00 0.00 C ATOM 639 CD GLU A 47 5.751 -0.120 -5.932 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.612 0.784 -6.040 1.00 0.00 O ATOM 641 OE2 GLU A 47 5.669 -1.034 -6.783 1.00 0.00 O1- ATOM 0 H GLU A 47 2.421 -3.254 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 47 5.138 -2.895 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.259 -1.312 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.107 -1.048 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.239 0.842 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.410 -0.065 -3.812 1.00 0.00 H new ATOM 648 N ILE A 48 4.626 -2.917 -1.900 1.00 0.00 N ATOM 649 CA ILE A 48 5.302 -3.019 -0.592 1.00 0.00 C ATOM 650 C ILE A 48 6.321 -4.172 -0.587 1.00 0.00 C ATOM 651 O ILE A 48 7.480 -3.977 -0.204 1.00 0.00 O ATOM 652 CB ILE A 48 4.272 -3.186 0.556 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.384 -1.938 0.700 1.00 0.00 C ATOM 654 CG2 ILE A 48 4.962 -3.475 1.898 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.215 -2.130 1.674 1.00 0.00 C ATOM 0 H ILE A 48 3.616 -3.044 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 48 5.845 -2.089 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 48 3.647 -4.039 0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.997 -1.103 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.990 -1.667 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.209 -3.586 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.541 -4.395 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.627 -2.649 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.631 -1.211 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.580 -2.944 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.602 -2.371 2.664 1.00 0.00 H new ATOM 667 N LYS A 49 5.902 -5.371 -1.021 1.00 0.00 N ATOM 668 CA LYS A 49 6.723 -6.595 -0.977 1.00 0.00 C ATOM 669 C LYS A 49 8.042 -6.466 -1.751 1.00 0.00 C ATOM 670 O LYS A 49 9.087 -6.861 -1.231 1.00 0.00 O ATOM 671 CB LYS A 49 5.912 -7.789 -1.499 1.00 0.00 C ATOM 672 CG LYS A 49 4.936 -8.315 -0.431 1.00 0.00 C ATOM 673 CD LYS A 49 4.110 -9.495 -0.971 1.00 0.00 C ATOM 674 CE LYS A 49 3.261 -10.157 0.120 1.00 0.00 C ATOM 675 NZ LYS A 49 4.054 -11.074 0.978 1.00 0.00 N1+ ATOM 0 H LYS A 49 4.974 -5.521 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 49 6.992 -6.758 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.355 -7.492 -2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.590 -8.588 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.493 -8.630 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.268 -7.513 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.459 -9.144 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.780 -10.236 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.807 -9.385 0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.446 -10.713 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.446 -11.849 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.845 -11.466 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.427 -10.549 1.795 1.00 0.00 H new ATOM 689 N ARG A 50 8.015 -5.880 -2.956 1.00 0.00 N ATOM 690 CA ARG A 50 9.218 -5.701 -3.793 1.00 0.00 C ATOM 691 C ARG A 50 10.236 -4.748 -3.155 1.00 0.00 C ATOM 692 O ARG A 50 11.431 -5.045 -3.161 1.00 0.00 O ATOM 693 CB ARG A 50 8.801 -5.218 -5.194 1.00 0.00 C ATOM 694 CG ARG A 50 9.963 -5.330 -6.198 1.00 0.00 C ATOM 695 CD ARG A 50 9.591 -4.858 -7.610 1.00 0.00 C ATOM 696 NE ARG A 50 9.452 -3.389 -7.684 1.00 0.00 N ATOM 697 CZ ARG A 50 8.342 -2.681 -7.566 1.00 0.00 C ATOM 698 NH1 ARG A 50 7.168 -3.221 -7.432 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 8.374 -1.386 -7.557 1.00 0.00 N ATOM 0 H ARG A 50 7.162 -5.516 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 50 9.718 -6.666 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.956 -5.808 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.465 -4.182 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.806 -4.741 -5.836 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.295 -6.367 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.355 -5.186 -8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.655 -5.326 -7.914 1.00 0.00 H new ATOM 0 HE ARG A 50 10.310 -2.861 -7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.073 -4.236 -7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.342 -2.630 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.265 -0.897 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.508 -0.855 -7.465 1.00 0.00 H new ATOM 713 N LEU A 51 9.781 -3.625 -2.595 1.00 0.00 N ATOM 714 CA LEU A 51 10.650 -2.619 -1.971 1.00 0.00 C ATOM 715 C LEU A 51 11.296 -3.125 -0.673 1.00 0.00 C ATOM 716 O LEU A 51 12.489 -2.890 -0.467 1.00 0.00 O ATOM 717 CB LEU A 51 9.854 -1.317 -1.746 1.00 0.00 C ATOM 718 CG LEU A 51 9.865 -0.315 -2.917 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.255 0.300 -3.113 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.406 -0.897 -4.251 1.00 0.00 C ATOM 0 H LEU A 51 8.790 -3.384 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 51 11.476 -2.414 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.819 -1.579 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.251 -0.818 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 51 9.142 0.446 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.228 1.002 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.552 0.826 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.975 -0.490 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.445 -0.124 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.061 -1.721 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.383 -1.262 -4.156 1.00 0.00 H new ATOM 732 N LYS A 52 10.561 -3.885 0.156 1.00 0.00 N ATOM 733 CA LYS A 52 11.122 -4.571 1.338 1.00 0.00 C ATOM 734 C LYS A 52 12.201 -5.580 0.942 1.00 0.00 C ATOM 735 O LYS A 52 13.288 -5.577 1.529 1.00 0.00 O ATOM 736 CB LYS A 52 10.003 -5.258 2.138 1.00 0.00 C ATOM 737 CG LYS A 52 9.150 -4.238 2.894 1.00 0.00 C ATOM 738 CD LYS A 52 7.963 -4.897 3.604 1.00 0.00 C ATOM 739 CE LYS A 52 7.137 -3.832 4.341 1.00 0.00 C ATOM 740 NZ LYS A 52 7.673 -3.535 5.690 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.561 -4.043 0.028 1.00 0.00 H new ATOM 0 HA LYS A 52 11.593 -3.818 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.371 -5.833 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.440 -5.964 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.769 -3.720 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.783 -3.485 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.337 -5.417 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.321 -5.646 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.120 -2.916 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.106 -4.173 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.418 -2.563 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.270 -4.202 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.709 -3.631 5.681 1.00 0.00 H new ATOM 754 N ALA A 53 11.934 -6.399 -0.081 1.00 0.00 N ATOM 755 CA ALA A 53 12.892 -7.381 -0.591 1.00 0.00 C ATOM 756 C ALA A 53 14.168 -6.721 -1.157 1.00 0.00 C ATOM 757 O ALA A 53 15.273 -7.135 -0.819 1.00 0.00 O ATOM 758 CB ALA A 53 12.184 -8.256 -1.641 1.00 0.00 C ATOM 0 H ALA A 53 11.044 -6.398 -0.579 1.00 0.00 H new ATOM 0 HA ALA A 53 13.232 -8.006 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.885 -8.994 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.339 -8.767 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.826 -7.628 -2.457 1.00 0.00 H new ATOM 764 N ALA A 54 14.044 -5.661 -1.966 1.00 0.00 N ATOM 765 CA ALA A 54 15.178 -4.950 -2.555 1.00 0.00 C ATOM 766 C ALA A 54 16.064 -4.259 -1.496 1.00 0.00 C ATOM 767 O ALA A 54 17.290 -4.389 -1.541 1.00 0.00 O ATOM 768 CB ALA A 54 14.630 -3.943 -3.580 1.00 0.00 C ATOM 0 H ALA A 54 13.140 -5.271 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 54 15.830 -5.670 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.458 -3.399 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.078 -4.476 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.965 -3.239 -3.079 1.00 0.00 H new ATOM 774 N ASN A 55 15.454 -3.592 -0.511 1.00 0.00 N ATOM 775 CA ASN A 55 16.155 -2.943 0.599 1.00 0.00 C ATOM 776 C ASN A 55 16.946 -3.972 1.435 1.00 0.00 C ATOM 777 O ASN A 55 18.139 -3.789 1.684 1.00 0.00 O ATOM 778 CB ASN A 55 15.104 -2.160 1.411 1.00 0.00 C ATOM 779 CG ASN A 55 15.655 -1.291 2.533 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.588 -1.628 3.239 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.079 -0.128 2.747 1.00 0.00 N ATOM 0 H ASN A 55 14.441 -3.487 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 55 16.909 -2.243 0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.541 -1.525 0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.398 -2.871 1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.415 0.477 3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.296 0.168 2.164 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.917 -13.982 -0.419 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.812 -13.062 0.277 1.00 0.00 C ATOM 1056 C PRO B 110 -10.058 -11.888 0.918 1.00 0.00 C ATOM 1057 O PRO B 110 -8.847 -11.939 1.143 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.547 -13.915 1.316 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.533 -15.008 1.646 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.830 -15.246 0.306 1.00 0.00 C ATOM 0 HA PRO B 110 -11.510 -12.590 -0.415 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.815 -13.334 2.198 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.472 -14.330 0.915 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.832 -14.688 2.417 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -11.020 -15.912 2.012 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.791 -15.540 0.456 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -10.311 -16.050 -0.251 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.791 -10.821 1.243 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.226 -9.574 1.784 1.00 0.00 C ATOM 1070 C ILE B 111 -9.512 -9.743 3.138 1.00 0.00 C ATOM 1071 O ILE B 111 -8.573 -9.006 3.446 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.316 -8.480 1.834 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.664 -7.098 2.025 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.388 -8.754 2.905 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.611 -5.958 1.665 1.00 0.00 C ATOM 0 H ILE B 111 -11.805 -10.794 1.138 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.438 -9.261 1.099 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.841 -8.494 0.879 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.345 -6.989 3.062 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.768 -7.032 1.407 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.127 -7.953 2.894 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.879 -9.704 2.693 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -11.918 -8.800 3.887 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.106 -5.004 1.816 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.910 -6.049 0.621 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.495 -6.005 2.301 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.891 -10.760 3.916 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.222 -11.119 5.170 1.00 0.00 C ATOM 1089 C ASP B 112 -7.747 -11.513 4.961 1.00 0.00 C ATOM 1090 O ASP B 112 -6.890 -11.158 5.769 1.00 0.00 O ATOM 1091 CB ASP B 112 -9.980 -12.270 5.850 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.477 -11.974 6.046 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.305 -12.478 5.248 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -11.832 -11.250 7.008 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.681 -11.365 3.690 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.231 -10.235 5.808 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -9.870 -13.174 5.251 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.526 -12.473 6.820 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.430 -12.206 3.861 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.067 -12.656 3.545 1.00 0.00 C ATOM 1101 C GLU B 113 -5.176 -11.506 3.058 1.00 0.00 C ATOM 1102 O GLU B 113 -4.081 -11.330 3.586 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.104 -13.797 2.513 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.742 -15.094 3.041 1.00 0.00 C ATOM 1105 CD GLU B 113 -6.000 -15.715 4.245 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -6.669 -16.314 5.124 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -4.750 -15.633 4.324 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.118 -12.473 3.158 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.625 -13.031 4.468 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.657 -13.462 1.636 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -5.087 -14.011 2.186 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.773 -14.888 3.330 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.777 -15.825 2.233 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.636 -10.679 2.109 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.825 -9.557 1.610 1.00 0.00 C ATOM 1116 C LEU B 114 -4.601 -8.462 2.688 1.00 0.00 C ATOM 1117 O LEU B 114 -3.521 -7.867 2.748 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.392 -9.016 0.282 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.780 -8.361 0.356 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.663 -6.848 0.458 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.608 -8.688 -0.886 1.00 0.00 C ATOM 0 H LEU B 114 -6.555 -10.763 1.675 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.827 -9.935 1.388 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.689 -8.286 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.439 -9.839 -0.432 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.271 -8.758 1.245 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.659 -6.409 0.509 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.104 -6.586 1.357 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.141 -6.464 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.585 -8.212 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -7.094 -8.318 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.736 -9.768 -0.964 1.00 0.00 H new ATOM 1133 N SER B 115 -5.576 -8.254 3.582 1.00 0.00 N ATOM 1134 CA SER B 115 -5.405 -7.455 4.807 1.00 0.00 C ATOM 1135 C SER B 115 -4.348 -8.071 5.742 1.00 0.00 C ATOM 1136 O SER B 115 -3.410 -7.384 6.155 1.00 0.00 O ATOM 1137 CB SER B 115 -6.749 -7.302 5.537 1.00 0.00 C ATOM 1138 OG SER B 115 -6.578 -6.746 6.835 1.00 0.00 O ATOM 0 H SER B 115 -6.515 -8.638 3.476 1.00 0.00 H new ATOM 0 HA SER B 115 -5.049 -6.467 4.514 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.411 -6.664 4.952 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.233 -8.275 5.618 1.00 0.00 H new ATOM 0 HG SER B 115 -7.451 -6.660 7.272 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.423 -9.373 6.038 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.429 -10.058 6.869 1.00 0.00 C ATOM 1146 C ALA B 116 -2.014 -10.008 6.261 1.00 0.00 C ATOM 1147 O ALA B 116 -1.037 -9.928 7.008 1.00 0.00 O ATOM 1148 CB ALA B 116 -3.889 -11.500 7.113 1.00 0.00 C ATOM 0 H ALA B 116 -5.173 -9.980 5.709 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.358 -9.534 7.822 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.154 -12.017 7.731 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -4.852 -11.493 7.623 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -3.988 -12.017 6.158 1.00 0.00 H new ATOM 1154 N LEU B 117 -1.884 -10.024 4.926 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.612 -9.876 4.209 1.00 0.00 C ATOM 1156 C LEU B 117 -0.004 -8.476 4.393 1.00 0.00 C ATOM 1157 O LEU B 117 1.155 -8.391 4.799 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.805 -10.230 2.719 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.344 -11.655 2.349 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.046 -12.769 3.122 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.577 -11.901 0.857 1.00 0.00 C ATOM 0 H LEU B 117 -2.681 -10.143 4.301 1.00 0.00 H new ATOM 0 HA LEU B 117 0.106 -10.575 4.639 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.859 -10.122 2.464 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.255 -9.512 2.111 1.00 0.00 H new ATOM 0 HG LEU B 117 0.712 -11.694 2.615 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.660 -13.736 2.798 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.861 -12.644 4.189 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.118 -12.724 2.932 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.250 -12.908 0.599 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.638 -11.795 0.632 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -0.009 -11.175 0.275 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.746 -7.382 4.165 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.186 -6.029 4.350 1.00 0.00 C ATOM 1175 C LEU B 118 0.149 -5.738 5.821 1.00 0.00 C ATOM 1176 O LEU B 118 1.178 -5.121 6.099 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.067 -4.966 3.666 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.362 -4.552 4.398 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.184 -3.351 5.331 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.422 -4.160 3.373 1.00 0.00 C ATOM 0 H LEU B 118 -1.718 -7.402 3.858 1.00 0.00 H new ATOM 0 HA LEU B 118 0.776 -5.980 3.841 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.463 -4.072 3.515 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.340 -5.337 2.678 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.652 -5.415 4.997 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.135 -3.118 5.810 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -1.442 -3.589 6.093 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -1.848 -2.489 4.755 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.337 -3.868 3.889 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.059 -3.323 2.776 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.629 -5.009 2.721 1.00 0.00 H new ATOM 1192 N ARG B 119 -0.649 -6.248 6.765 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.385 -6.147 8.211 1.00 0.00 C ATOM 1194 C ARG B 119 0.878 -6.911 8.635 1.00 0.00 C ATOM 1195 O ARG B 119 1.720 -6.329 9.314 1.00 0.00 O ATOM 1196 CB ARG B 119 -1.634 -6.597 8.988 1.00 0.00 C ATOM 1197 CG ARG B 119 -2.706 -5.489 8.974 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.137 -6.007 9.173 1.00 0.00 C ATOM 1199 NE ARG B 119 -4.286 -6.845 10.381 1.00 0.00 N ATOM 1200 CZ ARG B 119 -5.030 -7.931 10.503 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -5.765 -8.390 9.529 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -5.037 -8.565 11.635 1.00 0.00 N ATOM 0 H ARG B 119 -1.509 -6.750 6.547 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.180 -5.104 8.454 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.037 -7.507 8.544 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.363 -6.837 10.016 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -2.479 -4.767 9.758 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -2.652 -4.956 8.025 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.818 -5.159 9.240 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.433 -6.585 8.298 1.00 0.00 H new ATOM 0 HE ARG B 119 -3.761 -6.556 11.206 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.780 -7.907 8.631 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -6.325 -9.232 9.665 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -4.474 -8.224 12.414 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -5.606 -9.405 11.746 1.00 0.00 H new ATOM 1216 N GLN B 120 1.065 -8.163 8.201 1.00 0.00 N ATOM 1217 CA GLN B 120 2.263 -8.934 8.566 1.00 0.00 C ATOM 1218 C GLN B 120 3.547 -8.458 7.852 1.00 0.00 C ATOM 1219 O GLN B 120 4.630 -8.572 8.427 1.00 0.00 O ATOM 1220 CB GLN B 120 2.016 -10.447 8.417 1.00 0.00 C ATOM 1221 CG GLN B 120 2.132 -10.978 6.977 1.00 0.00 C ATOM 1222 CD GLN B 120 1.556 -12.384 6.830 1.00 0.00 C ATOM 1223 OE1 GLN B 120 2.263 -13.362 6.619 1.00 0.00 O ATOM 1224 NE2 GLN B 120 0.254 -12.535 6.952 1.00 0.00 N ATOM 0 H GLN B 120 0.408 -8.662 7.601 1.00 0.00 H new ATOM 0 HA GLN B 120 2.451 -8.738 9.622 1.00 0.00 H new ATOM 0 HB2 GLN B 120 2.728 -10.981 9.045 1.00 0.00 H new ATOM 0 HB3 GLN B 120 1.021 -10.678 8.796 1.00 0.00 H new ATOM 0 HG2 GLN B 120 1.611 -10.302 6.300 1.00 0.00 H new ATOM 0 HG3 GLN B 120 3.180 -10.984 6.678 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -0.339 -11.724 7.128 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -0.162 -13.463 6.871 1.00 0.00 H new ATOM 1233 N GLU B 121 3.456 -7.856 6.653 1.00 0.00 N ATOM 1234 CA GLU B 121 4.597 -7.176 6.013 1.00 0.00 C ATOM 1235 C GLU B 121 5.045 -5.919 6.788 1.00 0.00 C ATOM 1236 O GLU B 121 6.244 -5.650 6.901 1.00 0.00 O ATOM 1237 CB GLU B 121 4.259 -6.801 4.555 1.00 0.00 C ATOM 1238 CG GLU B 121 4.243 -7.994 3.580 1.00 0.00 C ATOM 1239 CD GLU B 121 5.598 -8.700 3.403 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.597 -9.861 2.935 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.665 -8.106 3.690 1.00 0.00 O1- ATOM 0 H GLU B 121 2.597 -7.827 6.104 1.00 0.00 H new ATOM 0 HA GLU B 121 5.428 -7.881 6.023 1.00 0.00 H new ATOM 0 HB2 GLU B 121 3.283 -6.317 4.534 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.986 -6.069 4.203 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.513 -8.723 3.931 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.901 -7.645 2.606 1.00 0.00 H new ATOM 1248 N MET B 122 4.108 -5.175 7.387 1.00 0.00 N ATOM 1249 CA MET B 122 4.399 -4.077 8.330 1.00 0.00 C ATOM 1250 C MET B 122 4.886 -4.571 9.708 1.00 0.00 C ATOM 1251 O MET B 122 5.348 -3.773 10.529 1.00 0.00 O ATOM 1252 CB MET B 122 3.146 -3.202 8.505 1.00 0.00 C ATOM 1253 CG MET B 122 2.769 -2.466 7.220 1.00 0.00 C ATOM 1254 SD MET B 122 1.151 -1.665 7.290 1.00 0.00 S ATOM 1255 CE MET B 122 0.809 -1.570 5.516 1.00 0.00 C ATOM 0 H MET B 122 3.110 -5.317 7.231 1.00 0.00 H new ATOM 0 HA MET B 122 5.215 -3.497 7.898 1.00 0.00 H new ATOM 0 HB2 MET B 122 2.311 -3.827 8.822 1.00 0.00 H new ATOM 0 HB3 MET B 122 3.320 -2.476 9.299 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.528 -1.714 7.007 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.779 -3.173 6.390 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.057 -0.931 5.346 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.674 -1.153 5.000 1.00 0.00 H new ATOM 0 HE3 MET B 122 0.604 -2.569 5.131 1.00 0.00 H new ATOM 1349 N SER B 133 -17.652 0.983 4.550 1.00 0.00 N ATOM 1350 CA SER B 133 -17.904 2.421 4.333 1.00 0.00 C ATOM 1351 C SER B 133 -16.699 3.135 3.705 1.00 0.00 C ATOM 1352 O SER B 133 -15.570 2.652 3.809 1.00 0.00 O ATOM 1353 CB SER B 133 -18.258 3.097 5.669 1.00 0.00 C ATOM 1354 OG SER B 133 -19.384 2.478 6.276 1.00 0.00 O ATOM 0 HA SER B 133 -18.738 2.501 3.636 1.00 0.00 H new ATOM 0 HB2 SER B 133 -17.403 3.045 6.344 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.467 4.153 5.501 1.00 0.00 H new ATOM 0 HG SER B 133 -19.419 1.534 6.014 1.00 0.00 H new ATOM 1360 N MET B 134 -16.909 4.298 3.072 1.00 0.00 N ATOM 1361 CA MET B 134 -15.873 5.044 2.331 1.00 0.00 C ATOM 1362 C MET B 134 -14.628 5.380 3.184 1.00 0.00 C ATOM 1363 O MET B 134 -13.506 5.371 2.677 1.00 0.00 O ATOM 1364 CB MET B 134 -16.508 6.324 1.754 1.00 0.00 C ATOM 1365 CG MET B 134 -15.616 7.085 0.760 1.00 0.00 C ATOM 1366 SD MET B 134 -15.979 6.823 -0.999 1.00 0.00 S ATOM 1367 CE MET B 134 -15.681 5.044 -1.177 1.00 0.00 C ATOM 0 H MET B 134 -17.819 4.758 3.058 1.00 0.00 H new ATOM 0 HA MET B 134 -15.508 4.403 1.528 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.441 6.059 1.257 1.00 0.00 H new ATOM 0 HB3 MET B 134 -16.764 6.991 2.577 1.00 0.00 H new ATOM 0 HG2 MET B 134 -15.697 8.151 0.972 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.579 6.802 0.943 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.639 4.786 -2.235 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.735 4.784 -0.702 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.490 4.490 -0.701 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.794 5.626 4.488 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.666 5.858 5.400 1.00 0.00 C ATOM 1379 C GLN B 135 -12.893 4.571 5.741 1.00 0.00 C ATOM 1380 O GLN B 135 -11.693 4.642 5.991 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.145 6.552 6.684 1.00 0.00 C ATOM 1382 CG GLN B 135 -14.807 7.912 6.406 1.00 0.00 C ATOM 1383 CD GLN B 135 -15.057 8.742 7.669 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -14.883 8.311 8.806 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -15.475 9.985 7.534 1.00 0.00 N ATOM 0 H GLN B 135 -15.707 5.670 4.940 1.00 0.00 H new ATOM 0 HA GLN B 135 -12.970 6.511 4.874 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -14.854 5.905 7.200 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -13.297 6.694 7.354 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -14.174 8.482 5.726 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -15.756 7.747 5.896 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -15.629 10.373 6.603 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -15.644 10.559 8.360 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.514 3.388 5.712 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.828 2.111 6.010 1.00 0.00 C ATOM 1396 C ASP B 136 -11.865 1.712 4.880 1.00 0.00 C ATOM 1397 O ASP B 136 -10.720 1.329 5.140 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.846 0.977 6.236 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.885 1.232 7.341 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.926 0.528 7.323 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.671 2.075 8.245 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.502 3.280 5.483 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.252 2.264 6.923 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.374 0.794 5.300 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -13.300 0.065 6.478 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.295 1.873 3.618 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.433 1.711 2.437 1.00 0.00 C ATOM 1408 C ILE B 137 -10.330 2.784 2.403 1.00 0.00 C ATOM 1409 O ILE B 137 -9.182 2.449 2.121 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.262 1.603 1.128 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.340 1.539 -0.121 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.320 2.704 0.978 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.087 1.368 -1.455 1.00 0.00 C ATOM 0 H ILE B 137 -13.257 2.121 3.388 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.912 0.757 2.517 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.812 0.665 1.202 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.746 2.452 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.643 0.710 -0.000 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.860 2.565 0.041 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -14.020 2.652 1.812 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.833 3.679 0.974 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.367 1.333 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.659 0.441 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.764 2.209 -1.603 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.620 4.039 2.779 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.600 5.090 2.915 1.00 0.00 C ATOM 1427 C GLN B 138 -8.529 4.705 3.952 1.00 0.00 C ATOM 1428 O GLN B 138 -7.343 4.794 3.649 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.287 6.421 3.277 1.00 0.00 C ATOM 1430 CG GLN B 138 -9.423 7.700 3.194 1.00 0.00 C ATOM 1431 CD GLN B 138 -8.444 7.896 4.358 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -8.615 7.387 5.459 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -7.388 8.666 4.199 1.00 0.00 N ATOM 0 H GLN B 138 -11.566 4.353 2.997 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.082 5.208 1.963 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.146 6.549 2.619 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -10.673 6.338 4.293 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -8.857 7.679 2.263 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -10.084 8.565 3.145 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -7.210 9.108 3.297 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -6.747 8.820 4.978 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.917 4.217 5.136 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.991 3.863 6.223 1.00 0.00 C ATOM 1444 C GLN B 139 -7.067 2.706 5.840 1.00 0.00 C ATOM 1445 O GLN B 139 -5.847 2.802 6.010 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.796 3.497 7.484 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.441 4.709 8.178 1.00 0.00 C ATOM 1448 CD GLN B 139 -8.530 5.421 9.178 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -7.305 5.351 9.149 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -9.108 6.143 10.113 1.00 0.00 N ATOM 0 H GLN B 139 -9.896 4.054 5.371 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.360 4.730 6.419 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.577 2.787 7.213 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -8.138 2.992 8.191 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -9.754 5.424 7.417 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -10.342 4.379 8.696 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -10.125 6.210 10.150 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.539 6.636 10.802 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.616 1.616 5.287 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.830 0.447 4.868 1.00 0.00 C ATOM 1461 C LEU B 140 -5.846 0.806 3.748 1.00 0.00 C ATOM 1462 O LEU B 140 -4.662 0.475 3.826 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.772 -0.687 4.410 1.00 0.00 C ATOM 1464 CG LEU B 140 -8.401 -1.499 5.552 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -9.564 -2.342 5.029 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -7.386 -2.452 6.200 1.00 0.00 C ATOM 0 H LEU B 140 -8.617 1.520 5.117 1.00 0.00 H new ATOM 0 HA LEU B 140 -6.249 0.106 5.725 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.571 -0.256 3.806 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -7.215 -1.365 3.764 1.00 0.00 H new ATOM 0 HG LEU B 140 -8.747 -0.780 6.294 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -9.999 -2.911 5.850 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -10.323 -1.688 4.599 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -9.201 -3.028 4.264 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.870 -3.008 7.003 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -7.012 -3.149 5.450 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -6.555 -1.876 6.607 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.331 1.499 2.715 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.553 1.813 1.514 1.00 0.00 C ATOM 1480 C LEU B 141 -4.555 2.973 1.737 1.00 0.00 C ATOM 1481 O LEU B 141 -3.519 3.036 1.075 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.577 2.041 0.383 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.034 1.972 -1.050 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.506 0.579 -1.383 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.167 2.278 -2.031 1.00 0.00 C ATOM 0 H LEU B 141 -7.284 1.861 2.688 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.893 0.991 1.237 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.370 1.300 0.485 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.035 3.019 0.528 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.223 2.695 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.129 0.568 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.699 0.322 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.312 -0.149 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.787 2.231 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.964 1.545 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.558 3.277 -1.835 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.804 3.856 2.719 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.819 4.831 3.209 1.00 0.00 C ATOM 1499 C ALA B 142 -2.642 4.156 3.928 1.00 0.00 C ATOM 1500 O ALA B 142 -1.492 4.542 3.722 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.488 5.829 4.169 1.00 0.00 C ATOM 0 H ALA B 142 -5.703 3.912 3.198 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.429 5.353 2.335 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.747 6.545 4.524 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.284 6.360 3.646 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.908 5.291 5.018 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.912 3.137 4.757 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.912 2.400 5.535 1.00 0.00 C ATOM 1509 C LYS B 143 -0.901 1.694 4.626 1.00 0.00 C ATOM 1510 O LYS B 143 0.308 1.826 4.829 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.669 1.432 6.463 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.772 0.869 7.567 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.574 -0.042 8.500 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.673 -0.635 9.586 1.00 0.00 C ATOM 1515 NZ LYS B 143 -2.463 -1.419 10.570 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.861 2.795 4.907 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.315 3.082 6.141 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.515 1.951 6.914 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -3.076 0.610 5.874 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -0.948 0.310 7.124 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.332 1.687 8.138 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.383 0.524 8.961 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -3.034 -0.845 7.924 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -0.920 -1.275 9.128 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.141 0.166 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -1.827 -1.809 11.294 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -3.165 -0.800 11.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -2.951 -2.197 10.082 1.00 0.00 H new ATOM 1529 N SER B 144 -1.375 1.010 3.585 1.00 0.00 N ATOM 1530 CA SER B 144 -0.507 0.408 2.555 1.00 0.00 C ATOM 1531 C SER B 144 0.254 1.451 1.713 1.00 0.00 C ATOM 1532 O SER B 144 1.461 1.304 1.514 1.00 0.00 O ATOM 1533 CB SER B 144 -1.329 -0.549 1.683 1.00 0.00 C ATOM 1534 OG SER B 144 -2.357 0.127 0.984 1.00 0.00 O ATOM 0 H SER B 144 -2.370 0.854 3.426 1.00 0.00 H new ATOM 0 HA SER B 144 0.270 -0.159 3.068 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.671 -1.046 0.970 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.766 -1.326 2.310 1.00 0.00 H new ATOM 0 HG SER B 144 -2.441 1.041 1.328 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.393 2.548 1.292 1.00 0.00 N ATOM 1541 CA LEU B 145 0.250 3.640 0.540 1.00 0.00 C ATOM 1542 C LEU B 145 1.371 4.327 1.347 1.00 0.00 C ATOM 1543 O LEU B 145 2.461 4.576 0.828 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.854 4.601 0.054 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.460 5.824 -0.805 1.00 0.00 C ATOM 1546 CD1 LEU B 145 -0.057 7.041 0.031 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.629 5.512 -1.832 1.00 0.00 C ATOM 0 H LEU B 145 -1.386 2.705 1.465 1.00 0.00 H new ATOM 0 HA LEU B 145 0.767 3.242 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.572 4.014 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.377 4.973 0.935 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.370 6.077 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.208 7.865 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.892 7.339 0.666 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.800 6.786 0.655 1.00 0.00 H new ATOM 0 HD21 LEU B 145 0.860 6.412 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.526 5.168 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.278 4.733 -2.509 1.00 0.00 H new ATOM 1559 N THR B 146 1.146 4.568 2.640 1.00 0.00 N ATOM 1560 CA THR B 146 2.146 5.158 3.549 1.00 0.00 C ATOM 1561 C THR B 146 3.388 4.265 3.687 1.00 0.00 C ATOM 1562 O THR B 146 4.516 4.766 3.677 1.00 0.00 O ATOM 1563 CB THR B 146 1.530 5.439 4.937 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.453 6.352 4.827 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.523 6.077 5.911 1.00 0.00 C ATOM 0 H THR B 146 0.258 4.359 3.096 1.00 0.00 H new ATOM 0 HA THR B 146 2.463 6.103 3.109 1.00 0.00 H new ATOM 0 HB THR B 146 1.212 4.466 5.313 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.328 5.893 4.452 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.033 6.251 6.869 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.372 5.409 6.054 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.872 7.026 5.505 1.00 0.00 H new ATOM 1573 N GLU B 147 3.210 2.942 3.754 1.00 0.00 N ATOM 1574 CA GLU B 147 4.320 1.992 3.890 1.00 0.00 C ATOM 1575 C GLU B 147 5.218 1.919 2.640 1.00 0.00 C ATOM 1576 O GLU B 147 6.438 1.804 2.782 1.00 0.00 O ATOM 1577 CB GLU B 147 3.750 0.604 4.253 1.00 0.00 C ATOM 1578 CG GLU B 147 4.779 -0.496 4.563 1.00 0.00 C ATOM 1579 CD GLU B 147 5.567 -0.281 5.871 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.333 -1.187 6.273 1.00 0.00 O ATOM 1581 OE2 GLU B 147 5.452 0.784 6.524 1.00 0.00 O1- ATOM 0 H GLU B 147 2.292 2.499 3.716 1.00 0.00 H new ATOM 0 HA GLU B 147 4.969 2.349 4.689 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.099 0.718 5.120 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.125 0.264 3.427 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.263 -1.454 4.618 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.484 -0.561 3.735 1.00 0.00 H new ATOM 1588 N ILE B 148 4.656 2.062 1.431 1.00 0.00 N ATOM 1589 CA ILE B 148 5.439 2.181 0.181 1.00 0.00 C ATOM 1590 C ILE B 148 6.409 3.366 0.283 1.00 0.00 C ATOM 1591 O ILE B 148 7.620 3.217 0.083 1.00 0.00 O ATOM 1592 CB ILE B 148 4.515 2.347 -1.050 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.625 1.105 -1.272 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.332 2.637 -2.324 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.441 1.359 -2.220 1.00 0.00 C ATOM 0 H ILE B 148 3.647 2.099 1.287 1.00 0.00 H new ATOM 0 HA ILE B 148 6.008 1.261 0.047 1.00 0.00 H new ATOM 0 HB ILE B 148 3.867 3.199 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.236 0.298 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.243 0.765 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.656 2.749 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.901 3.557 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE B 148 6.017 1.811 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.860 0.444 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.807 2.144 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.816 1.669 -3.195 1.00 0.00 H new ATOM 1607 N LYS B 149 5.883 4.542 0.640 1.00 0.00 N ATOM 1608 CA LYS B 149 6.648 5.794 0.751 1.00 0.00 C ATOM 1609 C LYS B 149 7.678 5.760 1.880 1.00 0.00 C ATOM 1610 O LYS B 149 8.793 6.249 1.692 1.00 0.00 O ATOM 1611 CB LYS B 149 5.666 6.970 0.906 1.00 0.00 C ATOM 1612 CG LYS B 149 4.864 7.173 -0.391 1.00 0.00 C ATOM 1613 CD LYS B 149 3.795 8.256 -0.220 1.00 0.00 C ATOM 1614 CE LYS B 149 2.951 8.409 -1.493 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.657 9.162 -2.559 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.895 4.655 0.865 1.00 0.00 H new ATOM 0 HA LYS B 149 7.227 5.925 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.986 6.777 1.735 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.214 7.880 1.148 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.540 7.451 -1.200 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.391 6.234 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.148 8.003 0.620 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.272 9.206 0.020 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.683 7.421 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.020 8.920 -1.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.965 9.697 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.335 9.821 -2.127 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.166 8.497 -3.175 1.00 0.00 H new ATOM 1629 N ARG B 150 7.365 5.109 3.008 1.00 0.00 N ATOM 1630 CA ARG B 150 8.301 4.884 4.130 1.00 0.00 C ATOM 1631 C ARG B 150 9.511 4.039 3.717 1.00 0.00 C ATOM 1632 O ARG B 150 10.647 4.422 3.999 1.00 0.00 O ATOM 1633 CB ARG B 150 7.541 4.248 5.313 1.00 0.00 C ATOM 1634 CG ARG B 150 8.361 4.298 6.614 1.00 0.00 C ATOM 1635 CD ARG B 150 7.616 3.651 7.791 1.00 0.00 C ATOM 1636 NE ARG B 150 7.564 2.178 7.687 1.00 0.00 N ATOM 1637 CZ ARG B 150 8.414 1.290 8.162 1.00 0.00 C ATOM 1638 NH1 ARG B 150 9.482 1.631 8.827 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 8.203 0.018 7.982 1.00 0.00 N ATOM 0 H ARG B 150 6.439 4.715 3.175 1.00 0.00 H new ATOM 0 HA ARG B 150 8.701 5.849 4.441 1.00 0.00 H new ATOM 0 HB2 ARG B 150 6.595 4.770 5.460 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.300 3.212 5.075 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.312 3.787 6.463 1.00 0.00 H new ATOM 0 HG3 ARG B 150 8.591 5.335 6.857 1.00 0.00 H new ATOM 0 HD2 ARG B 150 8.106 3.929 8.724 1.00 0.00 H new ATOM 0 HD3 ARG B 150 6.601 4.045 7.835 1.00 0.00 H new ATOM 0 HE ARG B 150 6.764 1.798 7.180 1.00 0.00 H new ATOM 0 HH11 ARG B 150 9.685 2.616 8.996 1.00 0.00 H new ATOM 0 HH12 ARG B 150 10.115 0.913 9.178 1.00 0.00 H new ATOM 0 HH21 ARG B 150 7.377 -0.295 7.472 1.00 0.00 H new ATOM 0 HH22 ARG B 150 8.864 -0.666 8.351 1.00 0.00 H new ATOM 1653 N LEU B 151 9.290 2.929 3.010 1.00 0.00 N ATOM 1654 CA LEU B 151 10.361 2.047 2.533 1.00 0.00 C ATOM 1655 C LEU B 151 11.226 2.719 1.461 1.00 0.00 C ATOM 1656 O LEU B 151 12.454 2.611 1.519 1.00 0.00 O ATOM 1657 CB LEU B 151 9.759 0.718 2.024 1.00 0.00 C ATOM 1658 CG LEU B 151 9.723 -0.423 3.058 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.132 -0.954 3.349 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.054 -0.032 4.380 1.00 0.00 C ATOM 0 H LEU B 151 8.356 2.613 2.749 1.00 0.00 H new ATOM 0 HA LEU B 151 11.023 1.833 3.372 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.742 0.907 1.679 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.333 0.385 1.159 1.00 0.00 H new ATOM 0 HG LEU B 151 9.116 -1.204 2.600 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.073 -1.758 4.082 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.575 -1.334 2.428 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.750 -0.148 3.743 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.065 -0.884 5.059 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.597 0.798 4.831 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.023 0.268 4.191 1.00 0.00 H new ATOM 1672 N LYS B 152 10.624 3.463 0.526 1.00 0.00 N ATOM 1673 CA LYS B 152 11.371 4.229 -0.491 1.00 0.00 C ATOM 1674 C LYS B 152 12.215 5.355 0.120 1.00 0.00 C ATOM 1675 O LYS B 152 13.379 5.509 -0.255 1.00 0.00 O ATOM 1676 CB LYS B 152 10.408 4.767 -1.558 1.00 0.00 C ATOM 1677 CG LYS B 152 9.923 3.622 -2.458 1.00 0.00 C ATOM 1678 CD LYS B 152 8.994 4.120 -3.571 1.00 0.00 C ATOM 1679 CE LYS B 152 8.479 2.913 -4.366 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.655 3.326 -5.530 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.611 3.554 0.449 1.00 0.00 H new ATOM 0 HA LYS B 152 12.076 3.546 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.556 5.249 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.907 5.526 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.783 3.120 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS B 152 9.399 2.882 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS B 152 8.158 4.675 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.528 4.805 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.325 2.319 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS B 152 7.887 2.273 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 7.097 2.515 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.013 4.094 -5.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.276 3.659 -6.294 1.00 0.00 H new ATOM 1694 N ALA B 153 11.692 6.079 1.111 1.00 0.00 N ATOM 1695 CA ALA B 153 12.449 7.079 1.869 1.00 0.00 C ATOM 1696 C ALA B 153 13.640 6.460 2.630 1.00 0.00 C ATOM 1697 O ALA B 153 14.755 6.985 2.562 1.00 0.00 O ATOM 1698 CB ALA B 153 11.484 7.789 2.823 1.00 0.00 C ATOM 0 H ALA B 153 10.722 5.987 1.413 1.00 0.00 H new ATOM 0 HA ALA B 153 12.884 7.798 1.174 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.027 8.539 3.398 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.695 8.274 2.248 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.042 7.060 3.503 1.00 0.00 H new ATOM 1704 N ALA B 154 13.442 5.315 3.296 1.00 0.00 N ATOM 1705 CA ALA B 154 14.510 4.591 3.988 1.00 0.00 C ATOM 1706 C ALA B 154 15.607 4.089 3.029 1.00 0.00 C ATOM 1707 O ALA B 154 16.795 4.261 3.305 1.00 0.00 O ATOM 1708 CB ALA B 154 13.882 3.441 4.785 1.00 0.00 C ATOM 0 H ALA B 154 12.530 4.864 3.369 1.00 0.00 H new ATOM 0 HA ALA B 154 15.015 5.278 4.668 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.664 2.890 5.307 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.176 3.844 5.511 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.359 2.770 4.104 1.00 0.00 H new ATOM 1714 N ASN B 155 15.226 3.522 1.880 1.00 0.00 N ATOM 1715 CA ASN B 155 16.154 3.048 0.847 1.00 0.00 C ATOM 1716 C ASN B 155 16.961 4.218 0.229 1.00 0.00 C ATOM 1717 O ASN B 155 18.186 4.147 0.109 1.00 0.00 O ATOM 1718 CB ASN B 155 15.339 2.243 -0.190 1.00 0.00 C ATOM 1719 CG ASN B 155 16.181 1.312 -1.056 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.334 1.563 -1.367 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.629 0.192 -1.475 1.00 0.00 N ATOM 0 H ASN B 155 14.246 3.377 1.637 1.00 0.00 H new ATOM 0 HA ASN B 155 16.909 2.391 1.279 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.587 1.653 0.334 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.805 2.939 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN B 155 16.165 -0.455 -2.053 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.666 -0.028 -1.221 1.00 0.00 H new ATOM 1728 N GLN B 156 16.306 5.342 -0.077 1.00 0.00 N ATOM 1729 CA GLN B 156 16.955 6.562 -0.575 1.00 0.00 C ATOM 1730 C GLN B 156 17.967 7.159 0.425 1.00 0.00 C ATOM 1731 O GLN B 156 19.022 7.656 0.021 1.00 0.00 O ATOM 1732 CB GLN B 156 15.852 7.562 -0.964 1.00 0.00 C ATOM 1733 CG GLN B 156 16.382 8.872 -1.577 1.00 0.00 C ATOM 1734 CD GLN B 156 15.276 9.806 -2.079 1.00 0.00 C ATOM 1735 OE1 GLN B 156 14.081 9.625 -1.852 1.00 0.00 O ATOM 1736 NE2 GLN B 156 15.626 10.860 -2.788 1.00 0.00 N ATOM 0 H GLN B 156 15.294 5.433 0.015 1.00 0.00 H new ATOM 0 HA GLN B 156 17.555 6.316 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.179 7.086 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.262 7.800 -0.079 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.979 9.397 -0.831 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.048 8.632 -2.406 1.00 0.00 H new ATOM 0 HE21 GLN B 156 16.610 11.034 -2.991 1.00 0.00 H new ATOM 0 HE22 GLN B 156 14.913 11.502 -3.134 1.00 0.00 H new