USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 820 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 168 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 170 ASN :FLIP amide:sc= -0.38 F(o=-2.4!,f=-0.38) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 1.1 (180deg=1.05) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 77:sc= 1.49 USER MOD Single : A 65 SER OG : rot 143:sc= 0.524 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= 1.79 (180deg=1.21) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.642 F(o=-2!,f=-0.64) USER MOD Single : A 71 GLN : amide:sc= 1.14 K(o=1.1,f=-4.9!) USER MOD Single : A 73 MET CE :methyl -175:sc= -0.0856 (180deg=-0.14) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc=-0.00517 X(o=-0.0052,f=0) USER MOD Single : A 82 GLN : amide:sc= 0.189 K(o=0.19,f=-0.47) USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 119 GLN : amide:sc= 0.97 K(o=0.97,f=-0.001) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 160 TYR OH : rot 165:sc= 0 USER MOD Single : B 162 SER OG : rot 74:sc= 0.954 USER MOD Single : B 165 SER OG : rot 139:sc= 0.0108 USER MOD Single : B 169 LYS NZ :NH3+ 155:sc= 2.13 (180deg=1.15) USER MOD Single : B 171 GLN : amide:sc= 1.88 K(o=1.9,f=-4.3!) USER MOD Single : B 173 MET CE :methyl -128:sc= 0 (180deg=-0.167) USER MOD Single : B 178 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.24) USER MOD Single : B 180 LYS NZ :NH3+ -140:sc= 0.0362 (180deg=-0.00327) USER MOD Single : B 181 GLN : amide:sc= -0.0913 X(o=-0.091,f=0) USER MOD Single : B 182 GLN : amide:sc= 0.0534 X(o=0.053,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -7.917 -7.415 7.767 1.00 0.00 N ATOM 133 CA GLU A 11 -8.301 -6.589 6.622 1.00 0.00 C ATOM 134 C GLU A 11 -7.720 -7.096 5.288 1.00 0.00 C ATOM 135 O GLU A 11 -8.324 -6.875 4.243 1.00 0.00 O ATOM 136 CB GLU A 11 -7.960 -5.105 6.875 1.00 0.00 C ATOM 137 CG GLU A 11 -6.509 -4.793 7.280 1.00 0.00 C ATOM 138 CD GLU A 11 -6.303 -4.930 8.796 1.00 0.00 C ATOM 139 OE1 GLU A 11 -6.575 -3.961 9.542 1.00 0.00 O ATOM 140 OE2 GLU A 11 -5.902 -6.027 9.257 1.00 0.00 O1- ATOM 0 HA GLU A 11 -9.383 -6.674 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.190 -4.543 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.620 -4.732 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.832 -5.469 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.253 -3.781 6.968 1.00 0.00 H new ATOM 147 N LEU A 12 -6.607 -7.838 5.286 1.00 0.00 N ATOM 148 CA LEU A 12 -6.028 -8.410 4.063 1.00 0.00 C ATOM 149 C LEU A 12 -6.995 -9.418 3.403 1.00 0.00 C ATOM 150 O LEU A 12 -7.165 -9.403 2.184 1.00 0.00 O ATOM 151 CB LEU A 12 -4.667 -9.065 4.387 1.00 0.00 C ATOM 152 CG LEU A 12 -3.441 -8.121 4.435 1.00 0.00 C ATOM 153 CD1 LEU A 12 -3.067 -7.598 3.046 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.609 -6.936 5.384 1.00 0.00 C ATOM 0 H LEU A 12 -6.081 -8.059 6.132 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.866 -7.607 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.750 -9.566 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.474 -9.837 3.643 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.635 -8.743 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.202 -6.940 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.825 -8.437 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.907 -7.044 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.709 -6.322 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.464 -6.338 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.774 -7.302 6.397 1.00 0.00 H new ATOM 166 N SER A 13 -7.683 -10.245 4.200 1.00 0.00 N ATOM 167 CA SER A 13 -8.728 -11.167 3.723 1.00 0.00 C ATOM 168 C SER A 13 -9.996 -10.439 3.252 1.00 0.00 C ATOM 169 O SER A 13 -10.652 -10.884 2.307 1.00 0.00 O ATOM 170 CB SER A 13 -9.106 -12.158 4.828 1.00 0.00 C ATOM 171 OG SER A 13 -7.970 -12.906 5.245 1.00 0.00 O ATOM 0 H SER A 13 -7.530 -10.295 5.207 1.00 0.00 H new ATOM 0 HA SER A 13 -8.307 -11.693 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.525 -11.620 5.678 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.880 -12.835 4.467 1.00 0.00 H new ATOM 0 HG SER A 13 -8.232 -13.532 5.952 1.00 0.00 H new ATOM 177 N GLU A 14 -10.342 -9.308 3.877 1.00 0.00 N ATOM 178 CA GLU A 14 -11.485 -8.474 3.483 1.00 0.00 C ATOM 179 C GLU A 14 -11.244 -7.773 2.130 1.00 0.00 C ATOM 180 O GLU A 14 -12.093 -7.841 1.239 1.00 0.00 O ATOM 181 CB GLU A 14 -11.781 -7.453 4.599 1.00 0.00 C ATOM 182 CG GLU A 14 -12.998 -6.541 4.356 1.00 0.00 C ATOM 183 CD GLU A 14 -14.364 -7.260 4.406 1.00 0.00 C ATOM 184 OE1 GLU A 14 -15.395 -6.599 4.121 1.00 0.00 O ATOM 185 OE2 GLU A 14 -14.445 -8.468 4.744 1.00 0.00 O1- ATOM 0 H GLU A 14 -9.831 -8.941 4.680 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.355 -9.117 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.935 -7.995 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.900 -6.826 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.994 -5.746 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.889 -6.065 3.382 1.00 0.00 H new ATOM 192 N ILE A 15 -10.073 -7.153 1.956 1.00 0.00 N ATOM 193 CA ILE A 15 -9.662 -6.438 0.734 1.00 0.00 C ATOM 194 C ILE A 15 -9.495 -7.389 -0.468 1.00 0.00 C ATOM 195 O ILE A 15 -9.785 -7.000 -1.602 1.00 0.00 O ATOM 196 CB ILE A 15 -8.397 -5.594 1.022 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.652 -4.452 2.041 1.00 0.00 C ATOM 198 CG2 ILE A 15 -7.785 -4.994 -0.252 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.806 -3.496 1.719 1.00 0.00 C ATOM 0 H ILE A 15 -9.358 -7.132 2.683 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.459 -5.753 0.444 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.690 -6.300 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.842 -4.900 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.738 -3.865 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.901 -4.412 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.503 -5.797 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.516 -4.347 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.884 -2.743 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.617 -3.007 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.738 -4.058 1.661 1.00 0.00 H new ATOM 211 N GLU A 16 -9.100 -8.647 -0.243 1.00 0.00 N ATOM 212 CA GLU A 16 -9.110 -9.711 -1.259 1.00 0.00 C ATOM 213 C GLU A 16 -10.533 -10.153 -1.676 1.00 0.00 C ATOM 214 O GLU A 16 -10.727 -10.592 -2.812 1.00 0.00 O ATOM 215 CB GLU A 16 -8.340 -10.938 -0.729 1.00 0.00 C ATOM 216 CG GLU A 16 -6.814 -10.780 -0.811 1.00 0.00 C ATOM 217 CD GLU A 16 -6.044 -11.980 -0.211 1.00 0.00 C ATOM 218 OE1 GLU A 16 -6.655 -12.994 0.207 1.00 0.00 O ATOM 219 OE2 GLU A 16 -4.789 -11.941 -0.190 1.00 0.00 O1- ATOM 0 H GLU A 16 -8.758 -8.962 0.665 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.630 -9.296 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.625 -11.117 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.638 -11.819 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.524 -10.655 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.521 -9.870 -0.288 1.00 0.00 H new ATOM 226 N GLY A 17 -11.520 -10.052 -0.781 1.00 0.00 N ATOM 227 CA GLY A 17 -12.889 -10.559 -0.980 1.00 0.00 C ATOM 228 C GLY A 17 -13.893 -9.576 -1.612 1.00 0.00 C ATOM 229 O GLY A 17 -14.812 -10.002 -2.317 1.00 0.00 O ATOM 0 H GLY A 17 -11.390 -9.605 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.837 -11.448 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.281 -10.875 -0.013 1.00 0.00 H new ATOM 233 N LEU A 18 -13.736 -8.270 -1.363 1.00 0.00 N ATOM 234 CA LEU A 18 -14.645 -7.202 -1.819 1.00 0.00 C ATOM 235 C LEU A 18 -14.546 -6.883 -3.332 1.00 0.00 C ATOM 236 O LEU A 18 -13.735 -7.472 -4.053 1.00 0.00 O ATOM 237 CB LEU A 18 -14.449 -5.969 -0.907 1.00 0.00 C ATOM 238 CG LEU A 18 -13.056 -5.327 -0.864 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.586 -4.726 -2.179 1.00 0.00 C ATOM 240 CD2 LEU A 18 -13.077 -4.191 0.163 1.00 0.00 C ATOM 0 H LEU A 18 -12.949 -7.912 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.671 -7.557 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.161 -5.205 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.717 -6.258 0.109 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.368 -6.135 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.593 -4.297 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.548 -5.504 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.280 -3.946 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.094 -3.722 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.820 -3.449 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.332 -4.592 1.144 1.00 0.00 H new ATOM 252 N GLN A 19 -15.374 -5.943 -3.813 1.00 0.00 N ATOM 253 CA GLN A 19 -15.364 -5.448 -5.207 1.00 0.00 C ATOM 254 C GLN A 19 -15.051 -3.942 -5.306 1.00 0.00 C ATOM 255 O GLN A 19 -15.050 -3.229 -4.306 1.00 0.00 O ATOM 256 CB GLN A 19 -16.680 -5.831 -5.909 1.00 0.00 C ATOM 257 CG GLN A 19 -17.912 -5.042 -5.431 1.00 0.00 C ATOM 258 CD GLN A 19 -19.075 -5.971 -5.103 1.00 0.00 C ATOM 259 OE1 GLN A 19 -20.010 -6.164 -5.874 1.00 0.00 O ATOM 260 NE2 GLN A 19 -19.041 -6.616 -3.955 1.00 0.00 N ATOM 0 H GLN A 19 -16.085 -5.494 -3.236 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.545 -5.938 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -16.562 -5.680 -6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.863 -6.894 -5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.652 -4.457 -4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -18.216 -4.335 -6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.268 -6.463 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -19.787 -7.268 -3.714 1.00 0.00 H new ATOM 269 N ASP A 20 -14.810 -3.433 -6.520 1.00 0.00 N ATOM 270 CA ASP A 20 -14.371 -2.043 -6.764 1.00 0.00 C ATOM 271 C ASP A 20 -15.363 -0.967 -6.271 1.00 0.00 C ATOM 272 O ASP A 20 -14.952 0.134 -5.905 1.00 0.00 O ATOM 273 CB ASP A 20 -14.104 -1.830 -8.267 1.00 0.00 C ATOM 274 CG ASP A 20 -13.036 -2.743 -8.893 1.00 0.00 C ATOM 275 OD1 ASP A 20 -12.275 -3.430 -8.169 1.00 0.00 O ATOM 276 OD2 ASP A 20 -12.947 -2.772 -10.145 1.00 0.00 O1- ATOM 0 H ASP A 20 -14.914 -3.978 -7.376 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.459 -1.917 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.040 -1.974 -8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.804 -0.793 -8.420 1.00 0.00 H new ATOM 281 N ASP A 21 -16.662 -1.281 -6.196 1.00 0.00 N ATOM 282 CA ASP A 21 -17.691 -0.409 -5.613 1.00 0.00 C ATOM 283 C ASP A 21 -17.459 -0.164 -4.105 1.00 0.00 C ATOM 284 O ASP A 21 -17.707 0.927 -3.592 1.00 0.00 O ATOM 285 CB ASP A 21 -19.064 -1.057 -5.849 1.00 0.00 C ATOM 286 CG ASP A 21 -20.252 -0.154 -5.462 1.00 0.00 C ATOM 287 OD1 ASP A 21 -20.195 1.080 -5.686 1.00 0.00 O ATOM 288 OD2 ASP A 21 -21.277 -0.694 -4.978 1.00 0.00 O1- ATOM 0 H ASP A 21 -17.035 -2.164 -6.545 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.642 0.566 -6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.152 -1.327 -6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.122 -1.983 -5.277 1.00 0.00 H new ATOM 293 N ASP A 22 -16.938 -1.176 -3.400 1.00 0.00 N ATOM 294 CA ASP A 22 -16.565 -1.095 -1.981 1.00 0.00 C ATOM 295 C ASP A 22 -15.264 -0.301 -1.764 1.00 0.00 C ATOM 296 O ASP A 22 -15.156 0.445 -0.788 1.00 0.00 O ATOM 297 CB ASP A 22 -16.448 -2.512 -1.389 1.00 0.00 C ATOM 298 CG ASP A 22 -17.703 -3.385 -1.607 1.00 0.00 C ATOM 299 OD1 ASP A 22 -18.834 -2.887 -1.392 1.00 0.00 O ATOM 300 OD2 ASP A 22 -17.553 -4.581 -1.959 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.760 -2.094 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.354 -0.552 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.588 -3.012 -1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.253 -2.434 -0.319 1.00 0.00 H new ATOM 305 N LEU A 23 -14.300 -0.395 -2.697 1.00 0.00 N ATOM 306 CA LEU A 23 -13.081 0.428 -2.689 1.00 0.00 C ATOM 307 C LEU A 23 -13.423 1.912 -2.884 1.00 0.00 C ATOM 308 O LEU A 23 -12.994 2.749 -2.090 1.00 0.00 O ATOM 309 CB LEU A 23 -12.084 -0.057 -3.765 1.00 0.00 C ATOM 310 CG LEU A 23 -11.528 -1.475 -3.539 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.704 -1.936 -4.737 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.623 -1.532 -2.311 1.00 0.00 C ATOM 0 H LEU A 23 -14.346 -1.047 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.604 0.319 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.577 -0.026 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.249 0.643 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.391 -2.125 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.323 -2.940 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.331 -1.945 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.868 -1.253 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.249 -2.547 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.783 -0.850 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.190 -1.239 -1.427 1.00 0.00 H new ATOM 324 N ALA A 24 -14.235 2.244 -3.894 1.00 0.00 N ATOM 325 CA ALA A 24 -14.656 3.623 -4.167 1.00 0.00 C ATOM 326 C ALA A 24 -15.435 4.266 -2.996 1.00 0.00 C ATOM 327 O ALA A 24 -15.279 5.462 -2.731 1.00 0.00 O ATOM 328 CB ALA A 24 -15.482 3.626 -5.457 1.00 0.00 C ATOM 0 H ALA A 24 -14.620 1.562 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.764 4.239 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.806 4.643 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.873 3.251 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.356 2.986 -5.331 1.00 0.00 H new ATOM 334 N ALA A 25 -16.213 3.474 -2.251 1.00 0.00 N ATOM 335 CA ALA A 25 -16.962 3.917 -1.075 1.00 0.00 C ATOM 336 C ALA A 25 -16.086 4.320 0.134 1.00 0.00 C ATOM 337 O ALA A 25 -16.563 5.077 0.986 1.00 0.00 O ATOM 338 CB ALA A 25 -17.960 2.816 -0.695 1.00 0.00 C ATOM 0 H ALA A 25 -16.341 2.483 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.480 4.837 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.529 3.127 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.642 2.640 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.419 1.897 -0.468 1.00 0.00 H new ATOM 344 N LEU A 26 -14.831 3.846 0.224 1.00 0.00 N ATOM 345 CA LEU A 26 -13.907 4.169 1.333 1.00 0.00 C ATOM 346 C LEU A 26 -12.670 4.999 0.914 1.00 0.00 C ATOM 347 O LEU A 26 -12.169 5.780 1.723 1.00 0.00 O ATOM 348 CB LEU A 26 -13.589 2.885 2.130 1.00 0.00 C ATOM 349 CG LEU A 26 -12.495 1.963 1.553 1.00 0.00 C ATOM 350 CD1 LEU A 26 -11.126 2.268 2.165 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.793 0.495 1.871 1.00 0.00 C ATOM 0 H LEU A 26 -14.424 3.224 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.417 4.856 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.292 3.175 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.508 2.306 2.222 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.485 2.140 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.379 1.600 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.854 3.302 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.169 2.120 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.007 -0.135 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.832 0.358 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.752 0.216 1.435 1.00 0.00 H new ATOM 363 N LEU A 27 -12.212 4.901 -0.340 1.00 0.00 N ATOM 364 CA LEU A 27 -11.204 5.806 -0.922 1.00 0.00 C ATOM 365 C LEU A 27 -11.795 7.197 -1.212 1.00 0.00 C ATOM 366 O LEU A 27 -11.128 8.209 -0.992 1.00 0.00 O ATOM 367 CB LEU A 27 -10.628 5.200 -2.218 1.00 0.00 C ATOM 368 CG LEU A 27 -9.406 4.293 -2.032 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.609 3.144 -1.049 1.00 0.00 C ATOM 370 CD2 LEU A 27 -9.019 3.679 -3.381 1.00 0.00 C ATOM 0 H LEU A 27 -12.533 4.183 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.404 5.925 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.413 4.627 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.357 6.014 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.629 4.938 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.693 2.557 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.856 3.545 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.423 2.508 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.150 3.034 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.853 3.092 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.778 4.474 -4.087 1.00 0.00 H new ATOM 382 N GLY A 28 -13.041 7.258 -1.696 1.00 0.00 N ATOM 383 CA GLY A 28 -13.808 8.496 -1.890 1.00 0.00 C ATOM 384 C GLY A 28 -13.094 9.510 -2.789 1.00 0.00 C ATOM 385 O GLY A 28 -12.742 9.214 -3.935 1.00 0.00 O ATOM 0 H GLY A 28 -13.559 6.424 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.777 8.252 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.001 8.953 -0.919 1.00 0.00 H new ATOM 389 N LYS A 29 -12.854 10.715 -2.249 1.00 0.00 N ATOM 390 CA LYS A 29 -12.187 11.837 -2.941 1.00 0.00 C ATOM 391 C LYS A 29 -10.756 11.514 -3.409 1.00 0.00 C ATOM 392 O LYS A 29 -10.294 12.088 -4.394 1.00 0.00 O ATOM 393 CB LYS A 29 -12.223 13.058 -1.996 1.00 0.00 C ATOM 394 CG LYS A 29 -11.738 14.391 -2.607 1.00 0.00 C ATOM 395 CD LYS A 29 -12.606 14.866 -3.787 1.00 0.00 C ATOM 396 CE LYS A 29 -12.146 16.247 -4.265 1.00 0.00 C ATOM 397 NZ LYS A 29 -13.005 16.752 -5.370 1.00 0.00 N1+ ATOM 0 H LYS A 29 -13.125 10.946 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.727 12.049 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.246 13.192 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.611 12.836 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.736 15.159 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.708 14.276 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.541 14.150 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.652 14.909 -3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.172 16.949 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.111 16.191 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.668 17.689 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.960 16.093 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.988 16.828 -5.039 1.00 0.00 H new ATOM 411 N GLU A 30 -10.072 10.578 -2.750 1.00 0.00 N ATOM 412 CA GLU A 30 -8.702 10.146 -3.071 1.00 0.00 C ATOM 413 C GLU A 30 -8.623 8.924 -4.014 1.00 0.00 C ATOM 414 O GLU A 30 -7.528 8.444 -4.314 1.00 0.00 O ATOM 415 CB GLU A 30 -7.914 9.889 -1.773 1.00 0.00 C ATOM 416 CG GLU A 30 -7.914 11.061 -0.772 1.00 0.00 C ATOM 417 CD GLU A 30 -7.562 12.421 -1.406 1.00 0.00 C ATOM 418 OE1 GLU A 30 -8.247 13.429 -1.104 1.00 0.00 O ATOM 419 OE2 GLU A 30 -6.586 12.501 -2.191 1.00 0.00 O1- ATOM 0 H GLU A 30 -10.465 10.080 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.248 10.966 -3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.329 9.010 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.882 9.651 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.898 11.131 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.201 10.846 0.024 1.00 0.00 H new ATOM 426 N PHE A 31 -9.760 8.415 -4.513 1.00 0.00 N ATOM 427 CA PHE A 31 -9.813 7.288 -5.468 1.00 0.00 C ATOM 428 C PHE A 31 -9.006 7.564 -6.755 1.00 0.00 C ATOM 429 O PHE A 31 -8.935 8.703 -7.223 1.00 0.00 O ATOM 430 CB PHE A 31 -11.281 6.954 -5.768 1.00 0.00 C ATOM 431 CG PHE A 31 -11.490 5.765 -6.688 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.518 5.944 -8.086 1.00 0.00 C ATOM 433 CD2 PHE A 31 -11.651 4.475 -6.144 1.00 0.00 C ATOM 434 CE1 PHE A 31 -11.690 4.837 -8.934 1.00 0.00 C ATOM 435 CE2 PHE A 31 -11.852 3.370 -7.000 1.00 0.00 C ATOM 436 CZ PHE A 31 -11.864 3.550 -8.394 1.00 0.00 C ATOM 0 H PHE A 31 -10.681 8.776 -4.264 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.337 6.421 -5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.794 6.761 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.754 7.829 -6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.407 6.933 -8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.621 4.332 -5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.689 4.975 -10.005 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.997 2.384 -6.583 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.006 2.703 -9.048 1.00 0.00 H new ATOM 446 N ILE A 32 -8.378 6.528 -7.330 1.00 0.00 N ATOM 447 CA ILE A 32 -7.383 6.671 -8.410 1.00 0.00 C ATOM 448 C ILE A 32 -7.919 7.440 -9.633 1.00 0.00 C ATOM 449 O ILE A 32 -9.067 7.259 -10.052 1.00 0.00 O ATOM 450 CB ILE A 32 -6.805 5.284 -8.798 1.00 0.00 C ATOM 451 CG1 ILE A 32 -5.425 5.360 -9.489 1.00 0.00 C ATOM 452 CG2 ILE A 32 -7.756 4.500 -9.727 1.00 0.00 C ATOM 453 CD1 ILE A 32 -4.308 5.917 -8.594 1.00 0.00 C ATOM 0 H ILE A 32 -8.546 5.559 -7.059 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.571 7.285 -8.021 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.691 4.766 -7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.143 4.362 -9.826 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.509 5.985 -10.378 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.311 3.536 -9.973 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.709 4.342 -9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.920 5.068 -10.643 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.372 5.938 -9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.565 6.928 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.193 5.281 -7.717 1.00 0.00 H new ATOM 722 N TRP A 56 6.345 -13.514 8.093 1.00 0.00 N ATOM 723 CA TRP A 56 5.620 -12.261 8.373 1.00 0.00 C ATOM 724 C TRP A 56 5.884 -11.170 7.319 1.00 0.00 C ATOM 725 O TRP A 56 4.953 -10.467 6.920 1.00 0.00 O ATOM 726 CB TRP A 56 5.969 -11.770 9.787 1.00 0.00 C ATOM 727 CG TRP A 56 7.380 -11.301 9.999 1.00 0.00 C ATOM 728 CD1 TRP A 56 8.401 -12.070 10.453 1.00 0.00 C ATOM 729 CD2 TRP A 56 7.969 -9.989 9.729 1.00 0.00 C ATOM 730 NE1 TRP A 56 9.573 -11.335 10.456 1.00 0.00 N ATOM 731 CE2 TRP A 56 9.369 -10.053 10.001 1.00 0.00 C ATOM 732 CE3 TRP A 56 7.462 -8.754 9.270 1.00 0.00 C ATOM 733 CZ2 TRP A 56 10.229 -8.966 9.793 1.00 0.00 C ATOM 734 CZ3 TRP A 56 8.316 -7.655 9.051 1.00 0.00 C ATOM 735 CH2 TRP A 56 9.696 -7.762 9.298 1.00 0.00 C ATOM 0 HA TRP A 56 4.553 -12.475 8.318 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.295 -10.952 10.041 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.768 -12.579 10.489 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.312 -13.100 10.765 1.00 0.00 H new ATOM 0 HE1 TRP A 56 10.477 -11.699 10.758 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.403 -8.650 9.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 11.284 -9.051 10.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.907 -6.723 8.690 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.346 -6.921 9.108 1.00 0.00 H new ATOM 746 N LYS A 57 7.131 -11.057 6.836 1.00 0.00 N ATOM 747 CA LYS A 57 7.534 -10.198 5.708 1.00 0.00 C ATOM 748 C LYS A 57 7.352 -10.868 4.341 1.00 0.00 C ATOM 749 O LYS A 57 6.827 -10.234 3.429 1.00 0.00 O ATOM 750 CB LYS A 57 8.970 -9.672 5.899 1.00 0.00 C ATOM 751 CG LYS A 57 10.011 -10.740 6.264 1.00 0.00 C ATOM 752 CD LYS A 57 11.440 -10.178 6.219 1.00 0.00 C ATOM 753 CE LYS A 57 12.460 -11.300 6.437 1.00 0.00 C ATOM 754 NZ LYS A 57 12.646 -12.141 5.227 1.00 0.00 N1+ ATOM 0 H LYS A 57 7.914 -11.578 7.232 1.00 0.00 H new ATOM 0 HA LYS A 57 6.855 -9.345 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.285 -9.179 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.961 -8.913 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.803 -11.125 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.928 -11.580 5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.619 -9.697 5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.561 -9.413 6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.417 -10.866 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.133 -11.928 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.253 -12.953 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.721 -12.483 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.095 -11.577 4.478 1.00 0.00 H new ATOM 768 N ASP A 58 7.755 -12.132 4.200 1.00 0.00 N ATOM 769 CA ASP A 58 7.793 -12.835 2.903 1.00 0.00 C ATOM 770 C ASP A 58 6.402 -12.976 2.261 1.00 0.00 C ATOM 771 O ASP A 58 6.261 -12.760 1.053 1.00 0.00 O ATOM 772 CB ASP A 58 8.431 -14.226 3.036 1.00 0.00 C ATOM 773 CG ASP A 58 9.940 -14.252 3.326 1.00 0.00 C ATOM 774 OD1 ASP A 58 10.560 -15.319 3.093 1.00 0.00 O ATOM 775 OD2 ASP A 58 10.526 -13.231 3.760 1.00 0.00 O1- ATOM 0 H ASP A 58 8.067 -12.706 4.983 1.00 0.00 H new ATOM 0 HA ASP A 58 8.406 -12.214 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.919 -14.764 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.249 -14.777 2.113 1.00 0.00 H new ATOM 780 N ASP A 59 5.372 -13.303 3.050 1.00 0.00 N ATOM 781 CA ASP A 59 3.989 -13.349 2.572 1.00 0.00 C ATOM 782 C ASP A 59 3.457 -11.933 2.307 1.00 0.00 C ATOM 783 O ASP A 59 3.040 -11.617 1.194 1.00 0.00 O ATOM 784 CB ASP A 59 3.120 -14.131 3.575 1.00 0.00 C ATOM 785 CG ASP A 59 1.700 -14.474 3.077 1.00 0.00 C ATOM 786 OD1 ASP A 59 1.374 -14.282 1.882 1.00 0.00 O ATOM 787 OD2 ASP A 59 0.881 -14.973 3.887 1.00 0.00 O1- ATOM 0 H ASP A 59 5.475 -13.543 4.036 1.00 0.00 H new ATOM 0 HA ASP A 59 3.949 -13.877 1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.633 -15.058 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.036 -13.548 4.492 1.00 0.00 H new ATOM 792 N TYR A 60 3.538 -11.038 3.301 1.00 0.00 N ATOM 793 CA TYR A 60 2.929 -9.699 3.255 1.00 0.00 C ATOM 794 C TYR A 60 3.454 -8.826 2.106 1.00 0.00 C ATOM 795 O TYR A 60 2.667 -8.233 1.366 1.00 0.00 O ATOM 796 CB TYR A 60 3.153 -9.022 4.612 1.00 0.00 C ATOM 797 CG TYR A 60 2.547 -7.637 4.743 1.00 0.00 C ATOM 798 CD1 TYR A 60 3.348 -6.490 4.593 1.00 0.00 C ATOM 799 CD2 TYR A 60 1.169 -7.509 5.013 1.00 0.00 C ATOM 800 CE1 TYR A 60 2.780 -5.209 4.734 1.00 0.00 C ATOM 801 CE2 TYR A 60 0.600 -6.232 5.162 1.00 0.00 C ATOM 802 CZ TYR A 60 1.405 -5.077 5.024 1.00 0.00 C ATOM 803 OH TYR A 60 0.862 -3.842 5.185 1.00 0.00 O ATOM 0 H TYR A 60 4.035 -11.225 4.172 1.00 0.00 H new ATOM 0 HA TYR A 60 1.864 -9.817 3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.738 -9.660 5.393 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.225 -8.952 4.794 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.400 -6.592 4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.552 -8.390 5.105 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.396 -4.329 4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.453 -6.133 5.382 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.095 -3.928 5.379 1.00 0.00 H new ATOM 813 N LEU A 61 4.771 -8.795 1.886 1.00 0.00 N ATOM 814 CA LEU A 61 5.383 -8.059 0.774 1.00 0.00 C ATOM 815 C LEU A 61 4.903 -8.589 -0.592 1.00 0.00 C ATOM 816 O LEU A 61 4.698 -7.808 -1.527 1.00 0.00 O ATOM 817 CB LEU A 61 6.911 -8.160 0.940 1.00 0.00 C ATOM 818 CG LEU A 61 7.726 -7.344 -0.079 1.00 0.00 C ATOM 819 CD1 LEU A 61 7.546 -5.836 0.095 1.00 0.00 C ATOM 820 CD2 LEU A 61 9.211 -7.671 0.099 1.00 0.00 C ATOM 0 H LEU A 61 5.446 -9.281 2.476 1.00 0.00 H new ATOM 0 HA LEU A 61 5.080 -7.012 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.176 -7.829 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.202 -9.207 0.862 1.00 0.00 H new ATOM 0 HG LEU A 61 7.367 -7.614 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.143 -5.310 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.495 -5.578 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.871 -5.544 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.798 -7.098 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.522 -7.412 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.372 -8.736 -0.069 1.00 0.00 H new ATOM 832 N SER A 62 4.664 -9.905 -0.694 1.00 0.00 N ATOM 833 CA SER A 62 4.083 -10.539 -1.883 1.00 0.00 C ATOM 834 C SER A 62 2.591 -10.214 -2.042 1.00 0.00 C ATOM 835 O SER A 62 2.176 -9.877 -3.153 1.00 0.00 O ATOM 836 CB SER A 62 4.326 -12.052 -1.851 1.00 0.00 C ATOM 837 OG SER A 62 4.172 -12.605 -3.149 1.00 0.00 O ATOM 0 H SER A 62 4.872 -10.565 0.056 1.00 0.00 H new ATOM 0 HA SER A 62 4.585 -10.126 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.329 -12.258 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.626 -12.525 -1.162 1.00 0.00 H new ATOM 0 HG SER A 62 4.966 -12.403 -3.687 1.00 0.00 H new ATOM 843 N ARG A 63 1.788 -10.198 -0.959 1.00 0.00 N ATOM 844 CA ARG A 63 0.363 -9.784 -0.994 1.00 0.00 C ATOM 845 C ARG A 63 0.213 -8.376 -1.558 1.00 0.00 C ATOM 846 O ARG A 63 -0.553 -8.172 -2.495 1.00 0.00 O ATOM 847 CB ARG A 63 -0.281 -9.813 0.410 1.00 0.00 C ATOM 848 CG ARG A 63 -0.373 -11.187 1.085 1.00 0.00 C ATOM 849 CD ARG A 63 -1.309 -12.167 0.377 1.00 0.00 C ATOM 850 NE ARG A 63 -1.215 -13.480 1.034 1.00 0.00 N ATOM 851 CZ ARG A 63 -2.182 -14.316 1.356 1.00 0.00 C ATOM 852 NH1 ARG A 63 -3.435 -14.122 1.038 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -1.885 -15.382 2.036 1.00 0.00 N ATOM 0 H ARG A 63 2.107 -10.472 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.146 -10.501 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.287 -9.149 1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.287 -9.401 0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.624 -11.624 1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.713 -11.054 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.335 -11.801 0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.038 -12.253 -0.675 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.272 -13.785 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.705 -13.289 0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.142 -14.803 1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.919 -15.559 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.618 -16.042 2.296 1.00 0.00 H new ATOM 867 N LEU A 64 0.982 -7.414 -1.051 1.00 0.00 N ATOM 868 CA LEU A 64 0.932 -6.024 -1.511 1.00 0.00 C ATOM 869 C LEU A 64 1.356 -5.893 -2.985 1.00 0.00 C ATOM 870 O LEU A 64 0.757 -5.118 -3.727 1.00 0.00 O ATOM 871 CB LEU A 64 1.783 -5.160 -0.561 1.00 0.00 C ATOM 872 CG LEU A 64 0.995 -4.640 0.659 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.489 -5.710 1.626 1.00 0.00 C ATOM 874 CD2 LEU A 64 1.851 -3.659 1.450 1.00 0.00 C ATOM 0 H LEU A 64 1.660 -7.576 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.096 -5.663 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.634 -5.745 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.185 -4.311 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 64 0.110 -4.171 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.050 -5.234 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.179 -6.391 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.335 -6.269 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.288 -3.296 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.756 -4.161 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.123 -2.817 0.813 1.00 0.00 H new ATOM 886 N SER A 65 2.310 -6.702 -3.447 1.00 0.00 N ATOM 887 CA SER A 65 2.681 -6.788 -4.867 1.00 0.00 C ATOM 888 C SER A 65 1.579 -7.400 -5.759 1.00 0.00 C ATOM 889 O SER A 65 1.396 -6.979 -6.908 1.00 0.00 O ATOM 890 CB SER A 65 4.006 -7.547 -5.004 1.00 0.00 C ATOM 891 OG SER A 65 4.496 -7.463 -6.329 1.00 0.00 O ATOM 0 H SER A 65 2.853 -7.322 -2.846 1.00 0.00 H new ATOM 0 HA SER A 65 2.805 -5.769 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.740 -7.134 -4.313 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.862 -8.592 -4.730 1.00 0.00 H new ATOM 0 HG SER A 65 5.473 -7.386 -6.312 1.00 0.00 H new ATOM 897 N ARG A 66 0.779 -8.337 -5.226 1.00 0.00 N ATOM 898 CA ARG A 66 -0.365 -8.978 -5.923 1.00 0.00 C ATOM 899 C ARG A 66 -1.651 -8.140 -5.930 1.00 0.00 C ATOM 900 O ARG A 66 -2.460 -8.290 -6.844 1.00 0.00 O ATOM 901 CB ARG A 66 -0.643 -10.350 -5.276 1.00 0.00 C ATOM 902 CG ARG A 66 0.485 -11.365 -5.502 1.00 0.00 C ATOM 903 CD ARG A 66 0.376 -12.541 -4.522 1.00 0.00 C ATOM 904 NE ARG A 66 1.644 -13.283 -4.448 1.00 0.00 N ATOM 905 CZ ARG A 66 1.952 -14.448 -4.980 1.00 0.00 C ATOM 906 NH1 ARG A 66 3.129 -14.948 -4.755 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 1.121 -15.128 -5.718 1.00 0.00 N ATOM 0 H ARG A 66 0.907 -8.684 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.072 -9.082 -6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.793 -10.216 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.572 -10.753 -5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.444 -11.736 -6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.450 -10.874 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.108 -12.171 -3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.424 -13.211 -4.839 1.00 0.00 H new ATOM 0 HE ARG A 66 2.386 -12.834 -3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.797 -14.440 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.386 -15.849 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.187 -14.762 -5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.404 -16.027 -6.109 1.00 0.00 H new ATOM 921 N LEU A 67 -1.862 -7.263 -4.948 1.00 0.00 N ATOM 922 CA LEU A 67 -3.043 -6.386 -4.861 1.00 0.00 C ATOM 923 C LEU A 67 -2.939 -5.152 -5.782 1.00 0.00 C ATOM 924 O LEU A 67 -1.848 -4.676 -6.104 1.00 0.00 O ATOM 925 CB LEU A 67 -3.271 -6.007 -3.382 1.00 0.00 C ATOM 926 CG LEU A 67 -4.277 -6.919 -2.648 1.00 0.00 C ATOM 927 CD1 LEU A 67 -3.933 -8.411 -2.645 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.394 -6.485 -1.186 1.00 0.00 C ATOM 0 H LEU A 67 -1.209 -7.136 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.914 -6.930 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.316 -6.041 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.626 -4.978 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.205 -6.803 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.703 -8.961 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.881 -8.774 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.970 -8.561 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.105 -7.131 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.419 -6.562 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.742 -5.453 -1.140 1.00 0.00 H new ATOM 940 N SER A 68 -4.089 -4.623 -6.204 1.00 0.00 N ATOM 941 CA SER A 68 -4.223 -3.381 -6.993 1.00 0.00 C ATOM 942 C SER A 68 -3.816 -2.127 -6.199 1.00 0.00 C ATOM 943 O SER A 68 -3.888 -2.123 -4.969 1.00 0.00 O ATOM 944 CB SER A 68 -5.680 -3.269 -7.458 1.00 0.00 C ATOM 945 OG SER A 68 -5.924 -2.056 -8.149 1.00 0.00 O ATOM 0 H SER A 68 -4.989 -5.058 -6.002 1.00 0.00 H new ATOM 0 HA SER A 68 -3.545 -3.435 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.919 -4.111 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.342 -3.334 -6.595 1.00 0.00 H new ATOM 0 HG SER A 68 -6.862 -2.023 -8.430 1.00 0.00 H new ATOM 951 N LYS A 69 -3.459 -1.029 -6.880 1.00 0.00 N ATOM 952 CA LYS A 69 -3.231 0.308 -6.282 1.00 0.00 C ATOM 953 C LYS A 69 -4.416 0.793 -5.425 1.00 0.00 C ATOM 954 O LYS A 69 -4.199 1.387 -4.367 1.00 0.00 O ATOM 955 CB LYS A 69 -2.890 1.282 -7.429 1.00 0.00 C ATOM 956 CG LYS A 69 -2.761 2.773 -7.063 1.00 0.00 C ATOM 957 CD LYS A 69 -1.689 3.087 -6.014 1.00 0.00 C ATOM 958 CE LYS A 69 -1.644 4.594 -5.710 1.00 0.00 C ATOM 959 NZ LYS A 69 -0.797 5.367 -6.653 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.315 -1.039 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.398 0.256 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.950 0.961 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.659 1.186 -8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.539 3.337 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.724 3.127 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.897 2.533 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.715 2.755 -6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.659 4.992 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.271 4.740 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.099 6.362 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.198 5.308 -6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.895 4.973 -7.611 1.00 0.00 H new ATOM 973 N ASN A 70 -5.652 0.497 -5.824 1.00 0.00 N ATOM 974 CA ASN A 70 -6.851 0.812 -5.032 1.00 0.00 C ATOM 975 C ASN A 70 -6.960 -0.054 -3.757 1.00 0.00 C ATOM 976 O ASN A 70 -7.246 0.460 -2.681 1.00 0.00 O ATOM 977 CB ASN A 70 -8.097 0.669 -5.925 1.00 0.00 C ATOM 978 CG ASN A 70 -8.068 1.601 -7.122 1.00 0.00 C ATOM 979 OD1 ASN A 70 -8.706 2.744 -7.031 1.00 0.00 O flip ATOM 980 ND2 ASN A 70 -7.476 1.314 -8.153 1.00 0.00 N flip ATOM 0 H ASN A 70 -5.856 0.030 -6.708 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.774 1.842 -4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.173 -0.361 -6.273 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.989 0.872 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.979 0.426 -8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.479 1.963 -8.940 1.00 0.00 H new ATOM 987 N GLN A 71 -6.676 -1.357 -3.863 1.00 0.00 N ATOM 988 CA GLN A 71 -6.630 -2.290 -2.724 1.00 0.00 C ATOM 989 C GLN A 71 -5.502 -1.957 -1.732 1.00 0.00 C ATOM 990 O GLN A 71 -5.696 -2.045 -0.521 1.00 0.00 O ATOM 991 CB GLN A 71 -6.470 -3.723 -3.254 1.00 0.00 C ATOM 992 CG GLN A 71 -7.728 -4.264 -3.949 1.00 0.00 C ATOM 993 CD GLN A 71 -7.480 -5.656 -4.518 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.628 -5.855 -5.380 1.00 0.00 O ATOM 995 NE2 GLN A 71 -8.175 -6.677 -4.064 1.00 0.00 N ATOM 0 H GLN A 71 -6.468 -1.803 -4.756 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.566 -2.194 -2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.636 -3.751 -3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.211 -4.382 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.554 -4.299 -3.239 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.025 -3.587 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.887 -6.531 -3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.002 -7.614 -4.428 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.340 -1.522 -2.237 1.00 0.00 N ATOM 1005 CA LEU A 72 -3.198 -1.034 -1.456 1.00 0.00 C ATOM 1006 C LEU A 72 -3.549 0.186 -0.600 1.00 0.00 C ATOM 1007 O LEU A 72 -3.231 0.210 0.590 1.00 0.00 O ATOM 1008 CB LEU A 72 -2.040 -0.691 -2.411 1.00 0.00 C ATOM 1009 CG LEU A 72 -1.236 -1.931 -2.826 1.00 0.00 C ATOM 1010 CD1 LEU A 72 -0.488 -1.687 -4.130 1.00 0.00 C ATOM 1011 CD2 LEU A 72 -0.211 -2.239 -1.742 1.00 0.00 C ATOM 0 H LEU A 72 -4.164 -1.500 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.903 -1.828 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.439 -0.205 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.375 0.025 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.930 -2.761 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.073 -2.581 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.201 -1.453 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.200 -0.851 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.366 -3.119 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.460 -1.388 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.724 -2.431 -0.800 1.00 0.00 H new ATOM 1023 N MET A 73 -4.258 1.172 -1.162 1.00 0.00 N ATOM 1024 CA MET A 73 -4.800 2.294 -0.386 1.00 0.00 C ATOM 1025 C MET A 73 -5.779 1.818 0.699 1.00 0.00 C ATOM 1026 O MET A 73 -5.698 2.272 1.841 1.00 0.00 O ATOM 1027 CB MET A 73 -5.489 3.307 -1.313 1.00 0.00 C ATOM 1028 CG MET A 73 -4.477 4.110 -2.130 1.00 0.00 C ATOM 1029 SD MET A 73 -5.206 5.541 -2.967 1.00 0.00 S ATOM 1030 CE MET A 73 -5.665 4.827 -4.565 1.00 0.00 C ATOM 0 H MET A 73 -4.471 1.215 -2.159 1.00 0.00 H new ATOM 0 HA MET A 73 -3.961 2.780 0.113 1.00 0.00 H new ATOM 0 HB2 MET A 73 -6.165 2.781 -1.987 1.00 0.00 H new ATOM 0 HB3 MET A 73 -6.098 3.988 -0.718 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.678 4.451 -1.472 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.020 3.457 -2.874 1.00 0.00 H new ATOM 0 HE1 MET A 73 -6.045 5.612 -5.219 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.790 4.366 -5.022 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.438 4.072 -4.418 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.669 0.877 0.371 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.711 0.403 1.280 1.00 0.00 C ATOM 1042 C ALA A 74 -7.170 -0.420 2.468 1.00 0.00 C ATOM 1043 O ALA A 74 -7.546 -0.148 3.612 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.746 -0.376 0.463 1.00 0.00 C ATOM 0 H ALA A 74 -6.685 0.420 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.179 1.270 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.533 -0.739 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.180 0.278 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.263 -1.223 -0.024 1.00 0.00 H new ATOM 1050 N LEU A 75 -6.265 -1.381 2.232 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.675 -2.197 3.309 1.00 0.00 C ATOM 1052 C LEU A 75 -4.834 -1.339 4.263 1.00 0.00 C ATOM 1053 O LEU A 75 -4.888 -1.529 5.479 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.896 -3.400 2.722 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.468 -3.121 2.197 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -2.394 -3.322 3.269 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -3.119 -4.063 1.048 1.00 0.00 C ATOM 0 H LEU A 75 -5.923 -1.615 1.300 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.481 -2.613 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.830 -4.169 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.483 -3.817 1.904 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.476 -2.080 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.412 -3.112 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.581 -2.645 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.423 -4.352 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.110 -3.848 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.170 -5.095 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.827 -3.919 0.232 1.00 0.00 H new ATOM 1069 N ALA A 76 -4.099 -0.362 3.722 1.00 0.00 N ATOM 1070 CA ALA A 76 -3.278 0.556 4.501 1.00 0.00 C ATOM 1071 C ALA A 76 -4.141 1.488 5.373 1.00 0.00 C ATOM 1072 O ALA A 76 -3.853 1.673 6.558 1.00 0.00 O ATOM 1073 CB ALA A 76 -2.370 1.330 3.544 1.00 0.00 C ATOM 0 H ALA A 76 -4.061 -0.189 2.718 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.657 -0.008 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.748 2.022 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.733 0.631 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.981 1.889 2.835 1.00 0.00 H new ATOM 1079 N LEU A 77 -5.239 2.023 4.829 1.00 0.00 N ATOM 1080 CA LEU A 77 -6.178 2.873 5.576 1.00 0.00 C ATOM 1081 C LEU A 77 -6.863 2.088 6.707 1.00 0.00 C ATOM 1082 O LEU A 77 -6.929 2.566 7.839 1.00 0.00 O ATOM 1083 CB LEU A 77 -7.175 3.499 4.575 1.00 0.00 C ATOM 1084 CG LEU A 77 -7.944 4.762 5.013 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -9.023 4.501 6.062 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -6.999 5.860 5.508 1.00 0.00 C ATOM 0 H LEU A 77 -5.504 1.879 3.855 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.643 3.682 6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.627 3.741 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.908 2.736 4.312 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.453 5.101 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.517 5.439 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.757 3.801 5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.566 4.077 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.580 6.732 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.430 5.493 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.313 6.138 4.708 1.00 0.00 H new ATOM 1098 N LYS A 78 -7.290 0.840 6.442 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.870 -0.058 7.464 1.00 0.00 C ATOM 1100 C LYS A 78 -6.896 -0.357 8.612 1.00 0.00 C ATOM 1101 O LYS A 78 -7.268 -0.149 9.769 1.00 0.00 O ATOM 1102 CB LYS A 78 -8.385 -1.355 6.814 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.713 -1.117 6.075 1.00 0.00 C ATOM 1104 CD LYS A 78 -10.225 -2.417 5.434 1.00 0.00 C ATOM 1105 CE LYS A 78 -11.519 -2.215 4.632 1.00 0.00 C ATOM 1106 NZ LYS A 78 -12.694 -1.924 5.500 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.244 0.423 5.512 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.715 0.467 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.640 -1.735 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.523 -2.119 7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.458 -0.733 6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.575 -0.357 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.455 -2.821 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.398 -3.158 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.381 -1.395 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.720 -3.110 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.540 -1.797 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.846 -2.717 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.518 -1.055 6.043 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.647 -0.751 8.320 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.650 -1.029 9.368 1.00 0.00 C ATOM 1122 C LEU A 79 -4.196 0.231 10.125 1.00 0.00 C ATOM 1123 O LEU A 79 -3.827 0.121 11.297 1.00 0.00 O ATOM 1124 CB LEU A 79 -3.501 -1.915 8.844 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.491 -1.284 7.867 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -1.379 -0.485 8.559 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.806 -2.379 7.045 1.00 0.00 C ATOM 0 H LEU A 79 -5.303 -0.884 7.369 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.148 -1.623 10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.946 -2.286 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.944 -2.781 8.353 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.074 -0.602 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.707 -0.071 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.820 0.327 9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.819 -1.142 9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.093 -1.925 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.281 -3.061 7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.556 -2.932 6.479 1.00 0.00 H new ATOM 1139 N LYS A 80 -4.268 1.423 9.510 1.00 0.00 N ATOM 1140 CA LYS A 80 -4.034 2.730 10.146 1.00 0.00 C ATOM 1141 C LYS A 80 -5.174 3.148 11.087 1.00 0.00 C ATOM 1142 O LYS A 80 -4.916 3.711 12.148 1.00 0.00 O ATOM 1143 CB LYS A 80 -3.806 3.781 9.042 1.00 0.00 C ATOM 1144 CG LYS A 80 -3.347 5.166 9.533 1.00 0.00 C ATOM 1145 CD LYS A 80 -1.921 5.156 10.107 1.00 0.00 C ATOM 1146 CE LYS A 80 -1.483 6.591 10.437 1.00 0.00 C ATOM 1147 NZ LYS A 80 -0.113 6.616 11.007 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.499 1.506 8.520 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.148 2.652 10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.061 3.396 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.733 3.902 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.395 5.873 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.038 5.522 10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.885 4.539 11.005 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.233 4.712 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.515 7.201 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.183 7.034 11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.156 7.598 11.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.090 6.053 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.556 6.215 10.320 1.00 0.00 H new ATOM 1161 N GLN A 81 -6.419 2.839 10.731 1.00 0.00 N ATOM 1162 CA GLN A 81 -7.615 3.177 11.514 1.00 0.00 C ATOM 1163 C GLN A 81 -7.739 2.340 12.802 1.00 0.00 C ATOM 1164 O GLN A 81 -8.149 2.861 13.845 1.00 0.00 O ATOM 1165 CB GLN A 81 -8.849 3.029 10.606 1.00 0.00 C ATOM 1166 CG GLN A 81 -10.166 3.388 11.313 1.00 0.00 C ATOM 1167 CD GLN A 81 -11.328 3.633 10.345 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -12.102 4.575 10.487 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -11.501 2.822 9.320 1.00 0.00 N ATOM 0 H GLN A 81 -6.634 2.335 9.871 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.534 4.209 11.855 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.727 3.668 9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.906 2.002 10.245 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.435 2.582 11.996 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.013 4.281 11.919 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.870 2.033 9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.266 2.984 8.665 1.00 0.00 H new ATOM 1178 N GLN A 82 -7.365 1.059 12.759 1.00 0.00 N ATOM 1179 CA GLN A 82 -7.432 0.158 13.916 1.00 0.00 C ATOM 1180 C GLN A 82 -6.242 0.285 14.893 1.00 0.00 C ATOM 1181 O GLN A 82 -6.420 0.026 16.084 1.00 0.00 O ATOM 1182 CB GLN A 82 -7.632 -1.291 13.442 1.00 0.00 C ATOM 1183 CG GLN A 82 -6.469 -1.886 12.633 1.00 0.00 C ATOM 1184 CD GLN A 82 -5.343 -2.489 13.473 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -5.552 -3.216 14.440 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -4.098 -2.218 13.142 1.00 0.00 N ATOM 0 H GLN A 82 -7.004 0.613 11.915 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.297 0.469 14.501 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.805 -1.920 14.315 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.535 -1.335 12.834 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.863 -2.658 11.972 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.051 -1.105 11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.902 -1.616 12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.329 -2.610 13.685 1.00 0.00 H new ATOM 1403 N GLU B 111 8.187 6.665 7.998 1.00 0.00 N ATOM 1404 CA GLU B 111 8.435 5.956 6.743 1.00 0.00 C ATOM 1405 C GLU B 111 8.184 6.840 5.510 1.00 0.00 C ATOM 1406 O GLU B 111 8.921 6.746 4.533 1.00 0.00 O ATOM 1407 CB GLU B 111 7.547 4.697 6.656 1.00 0.00 C ATOM 1408 CG GLU B 111 7.786 3.666 7.774 1.00 0.00 C ATOM 1409 CD GLU B 111 7.198 4.024 9.159 1.00 0.00 C ATOM 1410 OE1 GLU B 111 6.319 4.915 9.252 1.00 0.00 O ATOM 1411 OE2 GLU B 111 7.618 3.411 10.169 1.00 0.00 O1- ATOM 0 HA GLU B 111 9.488 5.673 6.743 1.00 0.00 H new ATOM 0 HB2 GLU B 111 6.501 5.004 6.680 1.00 0.00 H new ATOM 0 HB3 GLU B 111 7.716 4.215 5.693 1.00 0.00 H new ATOM 0 HG2 GLU B 111 7.365 2.712 7.458 1.00 0.00 H new ATOM 0 HG3 GLU B 111 8.861 3.520 7.884 1.00 0.00 H new ATOM 1418 N LEU B 112 7.175 7.719 5.552 1.00 0.00 N ATOM 1419 CA LEU B 112 6.711 8.484 4.388 1.00 0.00 C ATOM 1420 C LEU B 112 7.782 9.461 3.869 1.00 0.00 C ATOM 1421 O LEU B 112 8.019 9.531 2.664 1.00 0.00 O ATOM 1422 CB LEU B 112 5.399 9.228 4.728 1.00 0.00 C ATOM 1423 CG LEU B 112 4.110 8.392 4.924 1.00 0.00 C ATOM 1424 CD1 LEU B 112 3.761 7.565 3.692 1.00 0.00 C ATOM 1425 CD2 LEU B 112 4.142 7.452 6.135 1.00 0.00 C ATOM 0 H LEU B 112 6.652 7.921 6.404 1.00 0.00 H new ATOM 0 HA LEU B 112 6.517 7.775 3.583 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.567 9.798 5.642 1.00 0.00 H new ATOM 0 HB3 LEU B 112 5.210 9.949 3.933 1.00 0.00 H new ATOM 0 HG LEU B 112 3.344 9.147 5.102 1.00 0.00 H new ATOM 0 HD11 LEU B 112 2.850 6.997 3.881 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.606 8.228 2.841 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.578 6.877 3.472 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.201 6.906 6.197 1.00 0.00 H new ATOM 0 HD22 LEU B 112 4.965 6.746 6.026 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.283 8.035 7.045 1.00 0.00 H new ATOM 1437 N SER B 113 8.468 10.166 4.770 1.00 0.00 N ATOM 1438 CA SER B 113 9.556 11.101 4.427 1.00 0.00 C ATOM 1439 C SER B 113 10.819 10.386 3.924 1.00 0.00 C ATOM 1440 O SER B 113 11.536 10.915 3.076 1.00 0.00 O ATOM 1441 CB SER B 113 9.920 11.975 5.635 1.00 0.00 C ATOM 1442 OG SER B 113 8.790 12.699 6.108 1.00 0.00 O ATOM 0 H SER B 113 8.286 10.107 5.772 1.00 0.00 H new ATOM 0 HA SER B 113 9.179 11.723 3.615 1.00 0.00 H new ATOM 0 HB2 SER B 113 10.314 11.348 6.435 1.00 0.00 H new ATOM 0 HB3 SER B 113 10.711 12.672 5.357 1.00 0.00 H new ATOM 0 HG SER B 113 9.051 13.246 6.878 1.00 0.00 H new ATOM 1448 N GLU B 114 11.089 9.168 4.401 1.00 0.00 N ATOM 1449 CA GLU B 114 12.219 8.343 3.943 1.00 0.00 C ATOM 1450 C GLU B 114 11.972 7.761 2.539 1.00 0.00 C ATOM 1451 O GLU B 114 12.827 7.879 1.662 1.00 0.00 O ATOM 1452 CB GLU B 114 12.519 7.249 4.985 1.00 0.00 C ATOM 1453 CG GLU B 114 13.682 6.345 4.551 1.00 0.00 C ATOM 1454 CD GLU B 114 14.247 5.539 5.735 1.00 0.00 C ATOM 1455 OE1 GLU B 114 15.152 6.044 6.448 1.00 0.00 O ATOM 1456 OE2 GLU B 114 13.808 4.382 5.945 1.00 0.00 O1- ATOM 0 H GLU B 114 10.526 8.719 5.123 1.00 0.00 H new ATOM 0 HA GLU B 114 13.101 8.978 3.852 1.00 0.00 H new ATOM 0 HB2 GLU B 114 12.759 7.715 5.941 1.00 0.00 H new ATOM 0 HB3 GLU B 114 11.627 6.642 5.141 1.00 0.00 H new ATOM 0 HG2 GLU B 114 13.341 5.661 3.774 1.00 0.00 H new ATOM 0 HG3 GLU B 114 14.473 6.954 4.114 1.00 0.00 H new ATOM 1463 N ILE B 115 10.788 7.185 2.310 1.00 0.00 N ATOM 1464 CA ILE B 115 10.370 6.564 1.038 1.00 0.00 C ATOM 1465 C ILE B 115 10.211 7.579 -0.111 1.00 0.00 C ATOM 1466 O ILE B 115 10.402 7.225 -1.279 1.00 0.00 O ATOM 1467 CB ILE B 115 9.095 5.726 1.294 1.00 0.00 C ATOM 1468 CG1 ILE B 115 9.370 4.485 2.174 1.00 0.00 C ATOM 1469 CG2 ILE B 115 8.399 5.271 0.003 1.00 0.00 C ATOM 1470 CD1 ILE B 115 10.407 3.507 1.618 1.00 0.00 C ATOM 0 H ILE B 115 10.065 7.134 3.027 1.00 0.00 H new ATOM 0 HA ILE B 115 11.163 5.902 0.691 1.00 0.00 H new ATOM 0 HB ILE B 115 8.427 6.404 1.826 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.702 4.822 3.156 1.00 0.00 H new ATOM 0 HG13 ILE B 115 8.432 3.950 2.322 1.00 0.00 H new ATOM 0 HG21 ILE B 115 7.513 4.688 0.253 1.00 0.00 H new ATOM 0 HG22 ILE B 115 8.106 6.144 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE B 115 9.083 4.657 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE B 115 10.527 2.672 2.309 1.00 0.00 H new ATOM 0 HD12 ILE B 115 10.072 3.132 0.651 1.00 0.00 H new ATOM 0 HD13 ILE B 115 11.362 4.019 1.498 1.00 0.00 H new ATOM 1482 N GLU B 116 9.920 8.848 0.186 1.00 0.00 N ATOM 1483 CA GLU B 116 9.994 9.955 -0.787 1.00 0.00 C ATOM 1484 C GLU B 116 11.420 10.500 -1.008 1.00 0.00 C ATOM 1485 O GLU B 116 11.666 11.185 -2.004 1.00 0.00 O ATOM 1486 CB GLU B 116 9.058 11.093 -0.337 1.00 0.00 C ATOM 1487 CG GLU B 116 7.571 10.804 -0.618 1.00 0.00 C ATOM 1488 CD GLU B 116 7.205 11.063 -2.093 1.00 0.00 C ATOM 1489 OE1 GLU B 116 6.630 12.139 -2.397 1.00 0.00 O ATOM 1490 OE2 GLU B 116 7.506 10.208 -2.959 1.00 0.00 O1- ATOM 0 H GLU B 116 9.623 9.145 1.116 1.00 0.00 H new ATOM 0 HA GLU B 116 9.677 9.549 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU B 116 9.192 11.264 0.731 1.00 0.00 H new ATOM 0 HB3 GLU B 116 9.345 12.013 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU B 116 7.348 9.767 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.952 11.429 0.025 1.00 0.00 H new ATOM 1497 N GLY B 117 12.368 10.186 -0.119 1.00 0.00 N ATOM 1498 CA GLY B 117 13.775 10.591 -0.235 1.00 0.00 C ATOM 1499 C GLY B 117 14.617 9.640 -1.097 1.00 0.00 C ATOM 1500 O GLY B 117 15.348 10.086 -1.987 1.00 0.00 O ATOM 0 H GLY B 117 12.177 9.633 0.717 1.00 0.00 H new ATOM 0 HA2 GLY B 117 13.822 11.593 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY B 117 14.212 10.648 0.762 1.00 0.00 H new ATOM 1504 N LEU B 118 14.514 8.328 -0.850 1.00 0.00 N ATOM 1505 CA LEU B 118 15.187 7.270 -1.616 1.00 0.00 C ATOM 1506 C LEU B 118 14.527 7.011 -2.988 1.00 0.00 C ATOM 1507 O LEU B 118 13.352 7.331 -3.199 1.00 0.00 O ATOM 1508 CB LEU B 118 15.360 6.024 -0.720 1.00 0.00 C ATOM 1509 CG LEU B 118 14.085 5.332 -0.203 1.00 0.00 C ATOM 1510 CD1 LEU B 118 13.484 4.315 -1.172 1.00 0.00 C ATOM 1511 CD2 LEU B 118 14.431 4.581 1.086 1.00 0.00 C ATOM 0 H LEU B 118 13.943 7.962 -0.088 1.00 0.00 H new ATOM 0 HA LEU B 118 16.189 7.600 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.939 5.288 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU B 118 15.959 6.313 0.144 1.00 0.00 H new ATOM 0 HG LEU B 118 13.347 6.121 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU B 118 12.590 3.875 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU B 118 13.220 4.813 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU B 118 14.213 3.530 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU B 118 13.539 4.084 1.468 1.00 0.00 H new ATOM 0 HD22 LEU B 118 15.200 3.837 0.878 1.00 0.00 H new ATOM 0 HD23 LEU B 118 14.800 5.287 1.830 1.00 0.00 H new ATOM 1523 N GLN B 119 15.298 6.458 -3.932 1.00 0.00 N ATOM 1524 CA GLN B 119 14.914 6.306 -5.349 1.00 0.00 C ATOM 1525 C GLN B 119 14.487 4.875 -5.722 1.00 0.00 C ATOM 1526 O GLN B 119 14.567 3.952 -4.911 1.00 0.00 O ATOM 1527 CB GLN B 119 16.009 6.871 -6.270 1.00 0.00 C ATOM 1528 CG GLN B 119 17.288 6.024 -6.373 1.00 0.00 C ATOM 1529 CD GLN B 119 18.522 6.880 -6.095 1.00 0.00 C ATOM 1530 OE1 GLN B 119 19.193 7.394 -6.988 1.00 0.00 O ATOM 1531 NE2 GLN B 119 18.837 7.101 -4.840 1.00 0.00 N ATOM 0 H GLN B 119 16.229 6.094 -3.731 1.00 0.00 H new ATOM 0 HA GLN B 119 14.014 6.901 -5.503 1.00 0.00 H new ATOM 0 HB2 GLN B 119 15.592 6.991 -7.270 1.00 0.00 H new ATOM 0 HB3 GLN B 119 16.280 7.866 -5.916 1.00 0.00 H new ATOM 0 HG2 GLN B 119 17.243 5.199 -5.662 1.00 0.00 H new ATOM 0 HG3 GLN B 119 17.360 5.584 -7.368 1.00 0.00 H new ATOM 0 HE21 GLN B 119 18.285 6.678 -4.094 1.00 0.00 H new ATOM 0 HE22 GLN B 119 19.634 7.696 -4.611 1.00 0.00 H new ATOM 1540 N ASP B 120 14.046 4.660 -6.964 1.00 0.00 N ATOM 1541 CA ASP B 120 13.592 3.347 -7.467 1.00 0.00 C ATOM 1542 C ASP B 120 14.657 2.232 -7.406 1.00 0.00 C ATOM 1543 O ASP B 120 14.309 1.073 -7.179 1.00 0.00 O ATOM 1544 CB ASP B 120 13.021 3.473 -8.890 1.00 0.00 C ATOM 1545 CG ASP B 120 13.971 4.013 -9.979 1.00 0.00 C ATOM 1546 OD1 ASP B 120 13.620 3.888 -11.177 1.00 0.00 O ATOM 1547 OD2 ASP B 120 15.047 4.592 -9.681 1.00 0.00 O1- ATOM 0 H ASP B 120 13.991 5.400 -7.664 1.00 0.00 H new ATOM 0 HA ASP B 120 12.804 3.035 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP B 120 12.671 2.489 -9.203 1.00 0.00 H new ATOM 0 HB3 ASP B 120 12.148 4.124 -8.849 1.00 0.00 H new ATOM 1552 N ASP B 121 15.948 2.559 -7.533 1.00 0.00 N ATOM 1553 CA ASP B 121 17.053 1.613 -7.306 1.00 0.00 C ATOM 1554 C ASP B 121 17.176 1.166 -5.837 1.00 0.00 C ATOM 1555 O ASP B 121 17.541 0.024 -5.552 1.00 0.00 O ATOM 1556 CB ASP B 121 18.377 2.237 -7.773 1.00 0.00 C ATOM 1557 CG ASP B 121 18.478 2.469 -9.291 1.00 0.00 C ATOM 1558 OD1 ASP B 121 19.246 3.375 -9.703 1.00 0.00 O ATOM 1559 OD2 ASP B 121 17.858 1.720 -10.090 1.00 0.00 O1- ATOM 0 H ASP B 121 16.260 3.493 -7.798 1.00 0.00 H new ATOM 0 HA ASP B 121 16.828 0.720 -7.889 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.513 3.191 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP B 121 19.197 1.590 -7.463 1.00 0.00 H new ATOM 1564 N ASP B 122 16.825 2.049 -4.895 1.00 0.00 N ATOM 1565 CA ASP B 122 16.777 1.753 -3.456 1.00 0.00 C ATOM 1566 C ASP B 122 15.512 0.953 -3.085 1.00 0.00 C ATOM 1567 O ASP B 122 15.583 0.063 -2.233 1.00 0.00 O ATOM 1568 CB ASP B 122 16.842 3.052 -2.644 1.00 0.00 C ATOM 1569 CG ASP B 122 18.015 3.980 -2.999 1.00 0.00 C ATOM 1570 OD1 ASP B 122 19.162 3.500 -3.179 1.00 0.00 O ATOM 1571 OD2 ASP B 122 17.786 5.211 -3.079 1.00 0.00 O1- ATOM 0 H ASP B 122 16.561 3.009 -5.115 1.00 0.00 H new ATOM 0 HA ASP B 122 17.643 1.137 -3.213 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.910 3.599 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.906 2.799 -1.586 1.00 0.00 H new ATOM 1576 N LEU B 123 14.381 1.213 -3.755 1.00 0.00 N ATOM 1577 CA LEU B 123 13.163 0.406 -3.624 1.00 0.00 C ATOM 1578 C LEU B 123 13.401 -1.030 -4.122 1.00 0.00 C ATOM 1579 O LEU B 123 13.098 -1.978 -3.399 1.00 0.00 O ATOM 1580 CB LEU B 123 11.979 1.050 -4.374 1.00 0.00 C ATOM 1581 CG LEU B 123 11.521 2.421 -3.840 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.493 3.053 -4.776 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.864 2.299 -2.462 1.00 0.00 C ATOM 0 H LEU B 123 14.286 1.993 -4.406 1.00 0.00 H new ATOM 0 HA LEU B 123 12.907 0.366 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.254 1.162 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.132 0.364 -4.337 1.00 0.00 H new ATOM 0 HG LEU B 123 12.416 3.039 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU B 123 10.185 4.020 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU B 123 10.936 3.191 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.624 2.400 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.554 3.286 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU B 123 9.992 1.648 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.577 1.876 -1.755 1.00 0.00 H new ATOM 1595 N ALA B 124 14.012 -1.214 -5.297 1.00 0.00 N ATOM 1596 CA ALA B 124 14.360 -2.536 -5.828 1.00 0.00 C ATOM 1597 C ALA B 124 15.309 -3.328 -4.903 1.00 0.00 C ATOM 1598 O ALA B 124 15.178 -4.548 -4.790 1.00 0.00 O ATOM 1599 CB ALA B 124 14.961 -2.362 -7.224 1.00 0.00 C ATOM 0 H ALA B 124 14.281 -0.445 -5.910 1.00 0.00 H new ATOM 0 HA ALA B 124 13.448 -3.130 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.225 -3.338 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA B 124 14.232 -1.882 -7.877 1.00 0.00 H new ATOM 0 HB3 ALA B 124 15.855 -1.742 -7.160 1.00 0.00 H new ATOM 1605 N ALA B 125 16.208 -2.643 -4.191 1.00 0.00 N ATOM 1606 CA ALA B 125 17.134 -3.264 -3.240 1.00 0.00 C ATOM 1607 C ALA B 125 16.446 -3.845 -1.981 1.00 0.00 C ATOM 1608 O ALA B 125 17.018 -4.745 -1.354 1.00 0.00 O ATOM 1609 CB ALA B 125 18.213 -2.236 -2.870 1.00 0.00 C ATOM 0 H ALA B 125 16.314 -1.631 -4.259 1.00 0.00 H new ATOM 0 HA ALA B 125 17.584 -4.128 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA B 125 18.912 -2.681 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.750 -1.933 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.744 -1.363 -2.416 1.00 0.00 H new ATOM 1615 N LEU B 126 15.235 -3.381 -1.624 1.00 0.00 N ATOM 1616 CA LEU B 126 14.475 -3.877 -0.459 1.00 0.00 C ATOM 1617 C LEU B 126 13.219 -4.692 -0.829 1.00 0.00 C ATOM 1618 O LEU B 126 12.853 -5.608 -0.091 1.00 0.00 O ATOM 1619 CB LEU B 126 14.230 -2.714 0.531 1.00 0.00 C ATOM 1620 CG LEU B 126 13.029 -1.786 0.241 1.00 0.00 C ATOM 1621 CD1 LEU B 126 11.790 -2.224 1.025 1.00 0.00 C ATOM 1622 CD2 LEU B 126 13.340 -0.346 0.659 1.00 0.00 C ATOM 0 H LEU B 126 14.751 -2.645 -2.139 1.00 0.00 H new ATOM 0 HA LEU B 126 15.083 -4.620 0.057 1.00 0.00 H new ATOM 0 HB2 LEU B 126 14.097 -3.139 1.526 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.131 -2.102 0.564 1.00 0.00 H new ATOM 0 HG LEU B 126 12.841 -1.845 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU B 126 10.961 -1.552 0.801 1.00 0.00 H new ATOM 0 HD12 LEU B 126 11.520 -3.241 0.740 1.00 0.00 H new ATOM 0 HD13 LEU B 126 12.005 -2.191 2.093 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.480 0.289 0.445 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.557 -0.316 1.727 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.205 0.016 0.103 1.00 0.00 H new ATOM 1634 N LEU B 127 12.586 -4.427 -1.981 1.00 0.00 N ATOM 1635 CA LEU B 127 11.505 -5.251 -2.551 1.00 0.00 C ATOM 1636 C LEU B 127 12.029 -6.588 -3.105 1.00 0.00 C ATOM 1637 O LEU B 127 11.368 -7.619 -2.948 1.00 0.00 O ATOM 1638 CB LEU B 127 10.783 -4.465 -3.663 1.00 0.00 C ATOM 1639 CG LEU B 127 9.591 -3.614 -3.194 1.00 0.00 C ATOM 1640 CD1 LEU B 127 9.892 -2.656 -2.040 1.00 0.00 C ATOM 1641 CD2 LEU B 127 9.085 -2.772 -4.359 1.00 0.00 C ATOM 0 H LEU B 127 12.815 -3.617 -2.557 1.00 0.00 H new ATOM 0 HA LEU B 127 10.805 -5.483 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.506 -3.812 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.431 -5.171 -4.415 1.00 0.00 H new ATOM 0 HG LEU B 127 8.856 -4.333 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.990 -2.102 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.228 -3.225 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.673 -1.958 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU B 127 8.240 -2.167 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU B 127 9.884 -2.119 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU B 127 8.769 -3.427 -5.171 1.00 0.00 H new ATOM 1653 N GLY B 128 13.219 -6.585 -3.714 1.00 0.00 N ATOM 1654 CA GLY B 128 13.932 -7.787 -4.154 1.00 0.00 C ATOM 1655 C GLY B 128 13.114 -8.657 -5.120 1.00 0.00 C ATOM 1656 O GLY B 128 12.665 -8.197 -6.171 1.00 0.00 O ATOM 0 H GLY B 128 13.726 -5.724 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY B 128 14.862 -7.492 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY B 128 14.203 -8.381 -3.281 1.00 0.00 H new ATOM 1660 N LYS B 129 12.885 -9.921 -4.741 1.00 0.00 N ATOM 1661 CA LYS B 129 12.110 -10.904 -5.526 1.00 0.00 C ATOM 1662 C LYS B 129 10.641 -10.513 -5.741 1.00 0.00 C ATOM 1663 O LYS B 129 10.027 -10.959 -6.715 1.00 0.00 O ATOM 1664 CB LYS B 129 12.188 -12.287 -4.844 1.00 0.00 C ATOM 1665 CG LYS B 129 13.606 -12.849 -4.641 1.00 0.00 C ATOM 1666 CD LYS B 129 14.390 -13.030 -5.948 1.00 0.00 C ATOM 1667 CE LYS B 129 15.733 -13.709 -5.648 1.00 0.00 C ATOM 1668 NZ LYS B 129 16.527 -13.933 -6.886 1.00 0.00 N1+ ATOM 0 H LYS B 129 13.238 -10.301 -3.863 1.00 0.00 H new ATOM 0 HA LYS B 129 12.564 -10.933 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS B 129 11.700 -12.221 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS B 129 11.616 -12.999 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS B 129 14.162 -12.180 -3.984 1.00 0.00 H new ATOM 0 HG3 LYS B 129 13.537 -13.811 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS B 129 13.814 -13.633 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS B 129 14.557 -12.063 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS B 129 16.306 -13.092 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS B 129 15.555 -14.663 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 17.427 -14.393 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 15.991 -14.542 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 16.718 -13.020 -7.346 1.00 0.00 H new ATOM 1682 N GLU B 130 10.074 -9.667 -4.876 1.00 0.00 N ATOM 1683 CA GLU B 130 8.682 -9.189 -4.944 1.00 0.00 C ATOM 1684 C GLU B 130 8.504 -7.853 -5.707 1.00 0.00 C ATOM 1685 O GLU B 130 7.398 -7.308 -5.753 1.00 0.00 O ATOM 1686 CB GLU B 130 8.088 -9.093 -3.525 1.00 0.00 C ATOM 1687 CG GLU B 130 8.202 -10.370 -2.677 1.00 0.00 C ATOM 1688 CD GLU B 130 7.790 -11.657 -3.415 1.00 0.00 C ATOM 1689 OE1 GLU B 130 6.725 -11.667 -4.081 1.00 0.00 O ATOM 1690 OE2 GLU B 130 8.521 -12.667 -3.314 1.00 0.00 O1- ATOM 0 H GLU B 130 10.584 -9.281 -4.082 1.00 0.00 H new ATOM 0 HA GLU B 130 8.134 -9.929 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU B 130 8.584 -8.280 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU B 130 7.035 -8.824 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU B 130 9.232 -10.475 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU B 130 7.580 -10.259 -1.788 1.00 0.00 H new ATOM 1697 N PHE B 131 9.573 -7.316 -6.312 1.00 0.00 N ATOM 1698 CA PHE B 131 9.525 -6.083 -7.102 1.00 0.00 C ATOM 1699 C PHE B 131 8.582 -6.202 -8.319 1.00 0.00 C ATOM 1700 O PHE B 131 8.411 -7.284 -8.890 1.00 0.00 O ATOM 1701 CB PHE B 131 10.960 -5.701 -7.512 1.00 0.00 C ATOM 1702 CG PHE B 131 11.079 -4.393 -8.265 1.00 0.00 C ATOM 1703 CD1 PHE B 131 11.051 -4.374 -9.673 1.00 0.00 C ATOM 1704 CD2 PHE B 131 11.203 -3.184 -7.558 1.00 0.00 C ATOM 1705 CE1 PHE B 131 11.139 -3.148 -10.364 1.00 0.00 C ATOM 1706 CE2 PHE B 131 11.332 -1.966 -8.242 1.00 0.00 C ATOM 1707 CZ PHE B 131 11.292 -1.946 -9.649 1.00 0.00 C ATOM 0 H PHE B 131 10.503 -7.732 -6.265 1.00 0.00 H new ATOM 0 HA PHE B 131 9.105 -5.285 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE B 131 11.576 -5.645 -6.615 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.370 -6.499 -8.131 1.00 0.00 H new ATOM 0 HD1 PHE B 131 10.962 -5.299 -10.224 1.00 0.00 H new ATOM 0 HD2 PHE B 131 11.199 -3.193 -6.478 1.00 0.00 H new ATOM 0 HE1 PHE B 131 11.089 -3.132 -11.443 1.00 0.00 H new ATOM 0 HE2 PHE B 131 11.462 -1.046 -7.691 1.00 0.00 H new ATOM 0 HZ PHE B 131 11.379 -1.009 -10.179 1.00 0.00 H new ATOM 1717 N ILE B 132 7.961 -5.091 -8.729 1.00 0.00 N ATOM 1718 CA ILE B 132 6.942 -5.076 -9.798 1.00 0.00 C ATOM 1719 C ILE B 132 7.520 -5.496 -11.170 1.00 0.00 C ATOM 1720 O ILE B 132 8.657 -5.160 -11.508 1.00 0.00 O ATOM 1721 CB ILE B 132 6.245 -3.693 -9.843 1.00 0.00 C ATOM 1722 CG1 ILE B 132 4.814 -3.748 -10.419 1.00 0.00 C ATOM 1723 CG2 ILE B 132 7.052 -2.659 -10.653 1.00 0.00 C ATOM 1724 CD1 ILE B 132 3.819 -4.478 -9.507 1.00 0.00 C ATOM 0 H ILE B 132 8.148 -4.171 -8.331 1.00 0.00 H new ATOM 0 HA ILE B 132 6.188 -5.827 -9.562 1.00 0.00 H new ATOM 0 HB ILE B 132 6.189 -3.384 -8.799 1.00 0.00 H new ATOM 0 HG12 ILE B 132 4.460 -2.732 -10.591 1.00 0.00 H new ATOM 0 HG13 ILE B 132 4.839 -4.245 -11.389 1.00 0.00 H new ATOM 0 HG21 ILE B 132 6.523 -1.706 -10.656 1.00 0.00 H new ATOM 0 HG22 ILE B 132 8.034 -2.528 -10.199 1.00 0.00 H new ATOM 0 HG23 ILE B 132 7.170 -3.011 -11.678 1.00 0.00 H new ATOM 0 HD11 ILE B 132 2.833 -4.480 -9.972 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.151 -5.505 -9.355 1.00 0.00 H new ATOM 0 HD13 ILE B 132 3.765 -3.968 -8.545 1.00 0.00 H new ATOM 1993 N TRP B 156 -5.243 12.574 10.314 1.00 0.00 N ATOM 1994 CA TRP B 156 -4.559 11.266 10.272 1.00 0.00 C ATOM 1995 C TRP B 156 -5.012 10.387 9.097 1.00 0.00 C ATOM 1996 O TRP B 156 -4.222 9.595 8.573 1.00 0.00 O ATOM 1997 CB TRP B 156 -4.799 10.529 11.602 1.00 0.00 C ATOM 1998 CG TRP B 156 -6.205 10.042 11.843 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -7.139 10.690 12.577 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -6.870 8.843 11.319 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -8.329 9.992 12.534 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -8.230 8.861 11.751 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -6.477 7.754 10.503 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -9.152 7.869 11.381 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -7.397 6.758 10.115 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -8.735 6.818 10.546 1.00 0.00 C ATOM 0 HA TRP B 156 -3.496 11.458 10.124 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -4.126 9.672 11.646 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -4.521 11.195 12.419 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -6.978 11.613 13.115 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -9.178 10.278 13.022 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -5.452 7.685 10.171 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -10.172 7.913 11.734 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -7.073 5.944 9.483 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -9.439 6.060 10.236 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.280 10.538 8.689 1.00 0.00 N ATOM 2018 CA LYS B 157 -6.938 9.813 7.594 1.00 0.00 C ATOM 2019 C LYS B 157 -6.597 10.443 6.245 1.00 0.00 C ATOM 2020 O LYS B 157 -5.948 9.807 5.413 1.00 0.00 O ATOM 2021 CB LYS B 157 -8.447 9.821 7.889 1.00 0.00 C ATOM 2022 CG LYS B 157 -9.331 9.237 6.780 1.00 0.00 C ATOM 2023 CD LYS B 157 -10.806 9.145 7.187 1.00 0.00 C ATOM 2024 CE LYS B 157 -11.339 10.460 7.777 1.00 0.00 C ATOM 2025 NZ LYS B 157 -12.740 10.340 8.253 1.00 0.00 N1+ ATOM 0 H LYS B 157 -6.907 11.205 9.138 1.00 0.00 H new ATOM 0 HA LYS B 157 -6.587 8.783 7.533 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.625 9.260 8.807 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -8.759 10.848 8.078 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -9.243 9.855 5.887 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -8.968 8.243 6.517 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -11.403 8.873 6.317 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -10.928 8.347 7.919 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -10.702 10.768 8.606 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -11.281 11.244 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -13.054 11.252 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -13.355 10.072 7.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -12.794 9.611 8.993 1.00 0.00 H new ATOM 2039 N ASP B 158 -6.998 11.694 6.040 1.00 0.00 N ATOM 2040 CA ASP B 158 -6.892 12.383 4.744 1.00 0.00 C ATOM 2041 C ASP B 158 -5.442 12.613 4.283 1.00 0.00 C ATOM 2042 O ASP B 158 -5.121 12.379 3.114 1.00 0.00 O ATOM 2043 CB ASP B 158 -7.648 13.719 4.785 1.00 0.00 C ATOM 2044 CG ASP B 158 -9.173 13.607 4.988 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -9.828 14.669 5.113 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -9.742 12.489 4.972 1.00 0.00 O1- ATOM 0 H ASP B 158 -7.411 12.270 6.773 1.00 0.00 H new ATOM 0 HA ASP B 158 -7.348 11.718 4.011 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -7.235 14.327 5.590 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -7.460 14.253 3.853 1.00 0.00 H new ATOM 2051 N ASP B 159 -4.534 13.022 5.176 1.00 0.00 N ATOM 2052 CA ASP B 159 -3.125 13.288 4.822 1.00 0.00 C ATOM 2053 C ASP B 159 -2.356 12.001 4.483 1.00 0.00 C ATOM 2054 O ASP B 159 -1.477 12.002 3.624 1.00 0.00 O ATOM 2055 CB ASP B 159 -2.399 14.050 5.950 1.00 0.00 C ATOM 2056 CG ASP B 159 -2.991 15.424 6.320 1.00 0.00 C ATOM 2057 OD1 ASP B 159 -3.820 15.987 5.560 1.00 0.00 O ATOM 2058 OD2 ASP B 159 -2.584 15.983 7.366 1.00 0.00 O1- ATOM 0 H ASP B 159 -4.748 13.179 6.161 1.00 0.00 H new ATOM 0 HA ASP B 159 -3.145 13.912 3.928 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -2.397 13.424 6.842 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -1.359 14.191 5.657 1.00 0.00 H new ATOM 2063 N TYR B 160 -2.693 10.890 5.144 1.00 0.00 N ATOM 2064 CA TYR B 160 -2.139 9.568 4.857 1.00 0.00 C ATOM 2065 C TYR B 160 -2.704 9.012 3.539 1.00 0.00 C ATOM 2066 O TYR B 160 -1.939 8.677 2.634 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.425 8.656 6.059 1.00 0.00 C ATOM 2068 CG TYR B 160 -1.839 7.257 5.992 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -0.447 7.065 6.076 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -2.697 6.144 5.908 1.00 0.00 C ATOM 2071 CE1 TYR B 160 0.085 5.759 6.081 1.00 0.00 C ATOM 2072 CE2 TYR B 160 -2.172 4.842 5.923 1.00 0.00 C ATOM 2073 CZ TYR B 160 -0.778 4.643 6.010 1.00 0.00 C ATOM 2074 OH TYR B 160 -0.282 3.373 6.025 1.00 0.00 O ATOM 0 H TYR B 160 -3.370 10.886 5.907 1.00 0.00 H new ATOM 0 HA TYR B 160 -1.060 9.627 4.716 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -2.046 9.144 6.957 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.505 8.570 6.175 1.00 0.00 H new ATOM 0 HD1 TYR B 160 0.213 7.918 6.137 1.00 0.00 H new ATOM 0 HD2 TYR B 160 -3.764 6.292 5.832 1.00 0.00 H new ATOM 0 HE1 TYR B 160 1.153 5.612 6.139 1.00 0.00 H new ATOM 0 HE2 TYR B 160 -2.836 3.992 5.868 1.00 0.00 H new ATOM 0 HH TYR B 160 -1.007 2.741 6.210 1.00 0.00 H new ATOM 2084 N LEU B 161 -4.033 8.988 3.387 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.711 8.436 2.211 1.00 0.00 C ATOM 2086 C LEU B 161 -4.359 9.189 0.911 1.00 0.00 C ATOM 2087 O LEU B 161 -4.152 8.552 -0.122 1.00 0.00 O ATOM 2088 CB LEU B 161 -6.230 8.441 2.485 1.00 0.00 C ATOM 2089 CG LEU B 161 -7.090 7.800 1.380 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -6.790 6.308 1.174 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.565 7.953 1.740 1.00 0.00 C ATOM 0 H LEU B 161 -4.676 9.357 4.088 1.00 0.00 H new ATOM 0 HA LEU B 161 -4.366 7.415 2.049 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.417 7.916 3.422 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.556 9.472 2.627 1.00 0.00 H new ATOM 0 HG LEU B 161 -6.849 8.316 0.451 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -7.428 5.914 0.383 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -5.744 6.183 0.893 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -6.985 5.767 2.100 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -9.179 7.501 0.961 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -8.761 7.456 2.690 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -8.811 9.011 1.827 1.00 0.00 H new ATOM 2103 N SER B 162 -4.253 10.519 0.948 1.00 0.00 N ATOM 2104 CA SER B 162 -3.867 11.309 -0.236 1.00 0.00 C ATOM 2105 C SER B 162 -2.413 11.059 -0.645 1.00 0.00 C ATOM 2106 O SER B 162 -2.146 10.854 -1.830 1.00 0.00 O ATOM 2107 CB SER B 162 -4.116 12.803 -0.004 1.00 0.00 C ATOM 2108 OG SER B 162 -4.015 13.509 -1.235 1.00 0.00 O ATOM 0 H SER B 162 -4.428 11.077 1.783 1.00 0.00 H new ATOM 0 HA SER B 162 -4.498 10.978 -1.061 1.00 0.00 H new ATOM 0 HB2 SER B 162 -5.104 12.952 0.431 1.00 0.00 H new ATOM 0 HB3 SER B 162 -3.391 13.195 0.710 1.00 0.00 H new ATOM 0 HG SER B 162 -4.808 13.328 -1.782 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.472 10.972 0.310 1.00 0.00 N ATOM 2115 CA ARG B 163 -0.076 10.576 0.024 1.00 0.00 C ATOM 2116 C ARG B 163 0.012 9.161 -0.546 1.00 0.00 C ATOM 2117 O ARG B 163 0.699 8.954 -1.542 1.00 0.00 O ATOM 2118 CB ARG B 163 0.809 10.715 1.273 1.00 0.00 C ATOM 2119 CG ARG B 163 1.198 12.182 1.511 1.00 0.00 C ATOM 2120 CD ARG B 163 2.096 12.345 2.744 1.00 0.00 C ATOM 2121 NE ARG B 163 1.358 12.072 3.992 1.00 0.00 N ATOM 2122 CZ ARG B 163 1.859 11.995 5.212 1.00 0.00 C ATOM 2123 NH1 ARG B 163 3.126 12.179 5.455 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 1.085 11.732 6.223 1.00 0.00 N ATOM 0 H ARG B 163 -1.651 11.171 1.294 1.00 0.00 H new ATOM 0 HA ARG B 163 0.298 11.260 -0.738 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.278 10.330 2.144 1.00 0.00 H new ATOM 0 HB3 ARG B 163 1.709 10.111 1.155 1.00 0.00 H new ATOM 0 HG2 ARG B 163 1.715 12.567 0.632 1.00 0.00 H new ATOM 0 HG3 ARG B 163 0.296 12.780 1.638 1.00 0.00 H new ATOM 0 HD2 ARG B 163 2.947 11.668 2.668 1.00 0.00 H new ATOM 0 HD3 ARG B 163 2.497 13.358 2.772 1.00 0.00 H new ATOM 0 HE ARG B 163 0.352 11.927 3.903 1.00 0.00 H new ATOM 0 HH11 ARG B 163 3.767 12.390 4.690 1.00 0.00 H new ATOM 0 HH12 ARG B 163 3.477 12.112 6.410 1.00 0.00 H new ATOM 0 HH21 ARG B 163 0.087 11.584 6.076 1.00 0.00 H new ATOM 0 HH22 ARG B 163 1.476 11.674 7.163 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.744 8.207 -0.008 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.833 6.843 -0.546 1.00 0.00 C ATOM 2140 C LEU B 164 -1.403 6.789 -1.984 1.00 0.00 C ATOM 2141 O LEU B 164 -1.020 5.908 -2.749 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.659 5.987 0.428 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.839 5.246 1.502 1.00 0.00 C ATOM 2144 CD1 LEU B 164 0.209 6.060 2.263 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -1.811 4.667 2.523 1.00 0.00 C ATOM 0 H LEU B 164 -1.319 8.356 0.821 1.00 0.00 H new ATOM 0 HA LEU B 164 0.176 6.441 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -2.385 6.629 0.926 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -2.224 5.253 -0.147 1.00 0.00 H new ATOM 0 HG LEU B 164 -0.268 4.501 0.948 1.00 0.00 H new ATOM 0 HD11 LEU B 164 0.712 5.419 2.987 1.00 0.00 H new ATOM 0 HD12 LEU B 164 0.941 6.458 1.560 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.278 6.884 2.785 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -1.254 4.136 3.295 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -2.384 5.475 2.979 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -2.491 3.975 2.026 1.00 0.00 H new ATOM 2157 N SER B 165 -2.251 7.738 -2.396 1.00 0.00 N ATOM 2158 CA SER B 165 -2.661 7.902 -3.803 1.00 0.00 C ATOM 2159 C SER B 165 -1.542 8.494 -4.681 1.00 0.00 C ATOM 2160 O SER B 165 -1.319 8.031 -5.804 1.00 0.00 O ATOM 2161 CB SER B 165 -3.954 8.734 -3.869 1.00 0.00 C ATOM 2162 OG SER B 165 -4.414 8.857 -5.205 1.00 0.00 O ATOM 0 H SER B 165 -2.676 8.418 -1.765 1.00 0.00 H new ATOM 0 HA SER B 165 -2.860 6.914 -4.218 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.724 8.264 -3.258 1.00 0.00 H new ATOM 0 HB3 SER B 165 -3.775 9.724 -3.450 1.00 0.00 H new ATOM 0 HG SER B 165 -5.389 8.764 -5.225 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.782 9.465 -4.159 1.00 0.00 N ATOM 2169 CA ARG B 166 0.332 10.160 -4.852 1.00 0.00 C ATOM 2170 C ARG B 166 1.592 9.299 -5.018 1.00 0.00 C ATOM 2171 O ARG B 166 2.285 9.440 -6.024 1.00 0.00 O ATOM 2172 CB ARG B 166 0.663 11.460 -4.093 1.00 0.00 C ATOM 2173 CG ARG B 166 -0.485 12.485 -4.125 1.00 0.00 C ATOM 2174 CD ARG B 166 -0.326 13.570 -3.044 1.00 0.00 C ATOM 2175 NE ARG B 166 -1.589 14.300 -2.837 1.00 0.00 N ATOM 2176 CZ ARG B 166 -1.953 15.464 -3.342 1.00 0.00 C ATOM 2177 NH1 ARG B 166 -3.182 15.862 -3.220 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 -1.150 16.270 -3.974 1.00 0.00 N ATOM 0 H ARG B 166 -0.924 9.807 -3.209 1.00 0.00 H new ATOM 0 HA ARG B 166 -0.007 10.381 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG B 166 0.898 11.219 -3.056 1.00 0.00 H new ATOM 0 HB3 ARG B 166 1.556 11.910 -4.526 1.00 0.00 H new ATOM 0 HG2 ARG B 166 -0.522 12.956 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG B 166 -1.435 11.969 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG B 166 -0.010 13.111 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG B 166 0.458 14.268 -3.338 1.00 0.00 H new ATOM 0 HE ARG B 166 -2.269 13.848 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG B 166 -3.862 15.276 -2.736 1.00 0.00 H new ATOM 0 HH12 ARG B 166 -3.468 16.761 -3.609 1.00 0.00 H new ATOM 0 HH21 ARG B 166 -0.171 16.016 -4.104 1.00 0.00 H new ATOM 0 HH22 ARG B 166 -1.500 17.156 -4.339 1.00 0.00 H new ATOM 2192 N LEU B 167 1.903 8.413 -4.063 1.00 0.00 N ATOM 2193 CA LEU B 167 3.035 7.472 -4.097 1.00 0.00 C ATOM 2194 C LEU B 167 2.827 6.343 -5.130 1.00 0.00 C ATOM 2195 O LEU B 167 1.697 5.938 -5.433 1.00 0.00 O ATOM 2196 CB LEU B 167 3.267 6.903 -2.679 1.00 0.00 C ATOM 2197 CG LEU B 167 4.315 7.660 -1.836 1.00 0.00 C ATOM 2198 CD1 LEU B 167 3.997 9.132 -1.568 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.482 6.956 -0.486 1.00 0.00 C ATOM 0 H LEU B 167 1.351 8.327 -3.209 1.00 0.00 H new ATOM 0 HA LEU B 167 3.924 8.015 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.318 6.908 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.577 5.862 -2.768 1.00 0.00 H new ATOM 0 HG LEU B 167 5.226 7.646 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU B 167 4.793 9.573 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU B 167 3.918 9.665 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU B 167 3.053 9.208 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.222 7.488 0.113 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.528 6.947 0.040 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.816 5.931 -0.649 1.00 0.00 H new ATOM 2211 N SER B 168 3.930 5.803 -5.669 1.00 0.00 N ATOM 2212 CA SER B 168 3.931 4.656 -6.599 1.00 0.00 C ATOM 2213 C SER B 168 3.740 3.335 -5.851 1.00 0.00 C ATOM 2214 O SER B 168 4.075 3.232 -4.673 1.00 0.00 O ATOM 2215 CB SER B 168 5.248 4.635 -7.389 1.00 0.00 C ATOM 2216 OG SER B 168 5.260 3.564 -8.320 1.00 0.00 O ATOM 0 H SER B 168 4.866 6.156 -5.469 1.00 0.00 H new ATOM 0 HA SER B 168 3.095 4.771 -7.289 1.00 0.00 H new ATOM 0 HB2 SER B 168 5.377 5.581 -7.915 1.00 0.00 H new ATOM 0 HB3 SER B 168 6.088 4.535 -6.702 1.00 0.00 H new ATOM 0 HG SER B 168 6.106 3.569 -8.814 1.00 0.00 H new ATOM 2222 N LYS B 169 3.249 2.279 -6.520 1.00 0.00 N ATOM 2223 CA LYS B 169 3.048 0.942 -5.926 1.00 0.00 C ATOM 2224 C LYS B 169 4.324 0.380 -5.280 1.00 0.00 C ATOM 2225 O LYS B 169 4.265 -0.193 -4.193 1.00 0.00 O ATOM 2226 CB LYS B 169 2.478 0.011 -7.009 1.00 0.00 C ATOM 2227 CG LYS B 169 2.313 -1.436 -6.531 1.00 0.00 C ATOM 2228 CD LYS B 169 1.343 -2.224 -7.425 1.00 0.00 C ATOM 2229 CE LYS B 169 1.343 -3.689 -6.980 1.00 0.00 C ATOM 2230 NZ LYS B 169 0.382 -4.499 -7.765 1.00 0.00 N1+ ATOM 0 H LYS B 169 2.976 2.328 -7.502 1.00 0.00 H new ATOM 0 HA LYS B 169 2.335 1.021 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.510 0.392 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS B 169 3.136 0.028 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS B 169 3.285 -1.930 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS B 169 1.947 -1.440 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS B 169 0.339 -1.807 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS B 169 1.645 -2.147 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS B 169 2.345 -4.103 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS B 169 1.090 -3.748 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 0.682 -5.495 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.565 -4.421 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.353 -4.150 -8.744 1.00 0.00 H new ATOM 2244 N ASN B 170 5.486 0.615 -5.887 1.00 0.00 N ATOM 2245 CA ASN B 170 6.792 0.255 -5.321 1.00 0.00 C ATOM 2246 C ASN B 170 7.051 0.938 -3.959 1.00 0.00 C ATOM 2247 O ASN B 170 7.533 0.300 -3.023 1.00 0.00 O ATOM 2248 CB ASN B 170 7.893 0.601 -6.338 1.00 0.00 C ATOM 2249 CG ASN B 170 7.689 -0.098 -7.670 1.00 0.00 C ATOM 2250 OD1 ASN B 170 8.254 -1.270 -7.848 1.00 0.00 O flip ATOM 2251 ND2 ASN B 170 7.009 0.393 -8.559 1.00 0.00 N flip ATOM 0 H ASN B 170 5.551 1.067 -6.799 1.00 0.00 H new ATOM 0 HA ASN B 170 6.799 -0.817 -5.127 1.00 0.00 H new ATOM 0 HB2 ASN B 170 7.913 1.679 -6.496 1.00 0.00 H new ATOM 0 HB3 ASN B 170 8.864 0.321 -5.928 1.00 0.00 H new ATOM 0 HD21 ASN B 170 6.570 1.303 -8.421 1.00 0.00 H new ATOM 0 HD22 ASN B 170 6.881 -0.108 -9.438 1.00 0.00 H new ATOM 2258 N GLN B 171 6.682 2.217 -3.823 1.00 0.00 N ATOM 2259 CA GLN B 171 6.731 2.963 -2.558 1.00 0.00 C ATOM 2260 C GLN B 171 5.696 2.448 -1.540 1.00 0.00 C ATOM 2261 O GLN B 171 6.013 2.349 -0.352 1.00 0.00 O ATOM 2262 CB GLN B 171 6.521 4.464 -2.829 1.00 0.00 C ATOM 2263 CG GLN B 171 7.673 5.094 -3.618 1.00 0.00 C ATOM 2264 CD GLN B 171 7.410 6.575 -3.875 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.509 6.942 -4.620 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.158 7.469 -3.260 1.00 0.00 N ATOM 0 H GLN B 171 6.334 2.774 -4.603 1.00 0.00 H new ATOM 0 HA GLN B 171 7.716 2.807 -2.118 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.591 4.602 -3.381 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.409 4.987 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.605 4.976 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN B 171 7.797 4.572 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN B 171 8.909 7.166 -2.639 1.00 0.00 H new ATOM 0 HE22 GLN B 171 7.986 8.464 -3.405 1.00 0.00 H new ATOM 2275 N LEU B 172 4.492 2.053 -1.982 1.00 0.00 N ATOM 2276 CA LEU B 172 3.459 1.471 -1.102 1.00 0.00 C ATOM 2277 C LEU B 172 3.873 0.125 -0.493 1.00 0.00 C ATOM 2278 O LEU B 172 3.633 -0.089 0.697 1.00 0.00 O ATOM 2279 CB LEU B 172 2.105 1.349 -1.823 1.00 0.00 C ATOM 2280 CG LEU B 172 1.530 2.649 -2.411 1.00 0.00 C ATOM 2281 CD1 LEU B 172 0.085 2.435 -2.846 1.00 0.00 C ATOM 2282 CD2 LEU B 172 1.554 3.813 -1.419 1.00 0.00 C ATOM 0 H LEU B 172 4.204 2.127 -2.958 1.00 0.00 H new ATOM 0 HA LEU B 172 3.348 2.170 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU B 172 2.211 0.625 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU B 172 1.379 0.940 -1.121 1.00 0.00 H new ATOM 0 HG LEU B 172 2.165 2.904 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -0.311 3.362 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU B 172 0.045 1.652 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -0.514 2.137 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU B 172 1.136 4.702 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU B 172 0.961 3.555 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU B 172 2.582 4.012 -1.117 1.00 0.00 H new ATOM 2294 N MET B 173 4.556 -0.753 -1.244 1.00 0.00 N ATOM 2295 CA MET B 173 5.188 -1.950 -0.663 1.00 0.00 C ATOM 2296 C MET B 173 6.222 -1.567 0.402 1.00 0.00 C ATOM 2297 O MET B 173 6.231 -2.138 1.496 1.00 0.00 O ATOM 2298 CB MET B 173 5.873 -2.810 -1.747 1.00 0.00 C ATOM 2299 CG MET B 173 4.976 -3.919 -2.315 1.00 0.00 C ATOM 2300 SD MET B 173 3.981 -3.487 -3.768 1.00 0.00 S ATOM 2301 CE MET B 173 5.255 -3.661 -5.054 1.00 0.00 C ATOM 0 H MET B 173 4.685 -0.658 -2.251 1.00 0.00 H new ATOM 0 HA MET B 173 4.393 -2.533 -0.199 1.00 0.00 H new ATOM 0 HB2 MET B 173 6.195 -2.162 -2.562 1.00 0.00 H new ATOM 0 HB3 MET B 173 6.771 -3.262 -1.326 1.00 0.00 H new ATOM 0 HG2 MET B 173 5.607 -4.770 -2.574 1.00 0.00 H new ATOM 0 HG3 MET B 173 4.302 -4.251 -1.526 1.00 0.00 H new ATOM 0 HE1 MET B 173 5.288 -2.755 -5.659 1.00 0.00 H new ATOM 0 HE2 MET B 173 6.226 -3.820 -4.585 1.00 0.00 H new ATOM 0 HE3 MET B 173 5.016 -4.513 -5.690 1.00 0.00 H new ATOM 2311 N ALA B 174 7.088 -0.596 0.105 1.00 0.00 N ATOM 2312 CA ALA B 174 8.222 -0.257 0.964 1.00 0.00 C ATOM 2313 C ALA B 174 7.812 0.425 2.285 1.00 0.00 C ATOM 2314 O ALA B 174 8.291 0.023 3.346 1.00 0.00 O ATOM 2315 CB ALA B 174 9.192 0.592 0.146 1.00 0.00 C ATOM 0 H ALA B 174 7.022 -0.024 -0.737 1.00 0.00 H new ATOM 0 HA ALA B 174 8.710 -1.178 1.284 1.00 0.00 H new ATOM 0 HB1 ALA B 174 10.050 0.860 0.763 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.531 0.024 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.688 1.499 -0.189 1.00 0.00 H new ATOM 2321 N LEU B 175 6.898 1.404 2.258 1.00 0.00 N ATOM 2322 CA LEU B 175 6.415 2.087 3.474 1.00 0.00 C ATOM 2323 C LEU B 175 5.667 1.122 4.416 1.00 0.00 C ATOM 2324 O LEU B 175 5.853 1.166 5.633 1.00 0.00 O ATOM 2325 CB LEU B 175 5.592 3.345 3.105 1.00 0.00 C ATOM 2326 CG LEU B 175 4.137 3.122 2.627 1.00 0.00 C ATOM 2327 CD1 LEU B 175 3.126 3.195 3.775 1.00 0.00 C ATOM 2328 CD2 LEU B 175 3.722 4.193 1.618 1.00 0.00 C ATOM 0 H LEU B 175 6.471 1.747 1.397 1.00 0.00 H new ATOM 0 HA LEU B 175 7.280 2.433 4.040 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.565 3.999 3.977 1.00 0.00 H new ATOM 0 HB3 LEU B 175 6.127 3.881 2.321 1.00 0.00 H new ATOM 0 HG LEU B 175 4.127 2.127 2.183 1.00 0.00 H new ATOM 0 HD11 LEU B 175 2.121 3.032 3.386 1.00 0.00 H new ATOM 0 HD12 LEU B 175 3.358 2.428 4.514 1.00 0.00 H new ATOM 0 HD13 LEU B 175 3.178 4.178 4.244 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.696 4.013 1.298 1.00 0.00 H new ATOM 0 HD22 LEU B 175 3.790 5.177 2.083 1.00 0.00 H new ATOM 0 HD23 LEU B 175 4.384 4.154 0.753 1.00 0.00 H new ATOM 2340 N ALA B 176 4.874 0.216 3.844 1.00 0.00 N ATOM 2341 CA ALA B 176 4.130 -0.791 4.581 1.00 0.00 C ATOM 2342 C ALA B 176 5.046 -1.851 5.221 1.00 0.00 C ATOM 2343 O ALA B 176 4.867 -2.208 6.387 1.00 0.00 O ATOM 2344 CB ALA B 176 3.120 -1.415 3.622 1.00 0.00 C ATOM 0 H ALA B 176 4.732 0.165 2.835 1.00 0.00 H new ATOM 0 HA ALA B 176 3.613 -0.322 5.418 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.544 -2.177 4.146 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.447 -0.643 3.250 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.647 -1.871 2.784 1.00 0.00 H new ATOM 2350 N LEU B 177 6.070 -2.324 4.500 1.00 0.00 N ATOM 2351 CA LEU B 177 7.065 -3.269 5.027 1.00 0.00 C ATOM 2352 C LEU B 177 7.830 -2.649 6.216 1.00 0.00 C ATOM 2353 O LEU B 177 7.949 -3.275 7.270 1.00 0.00 O ATOM 2354 CB LEU B 177 7.965 -3.709 3.854 1.00 0.00 C ATOM 2355 CG LEU B 177 8.946 -4.877 4.080 1.00 0.00 C ATOM 2356 CD1 LEU B 177 10.117 -4.551 5.004 1.00 0.00 C ATOM 2357 CD2 LEU B 177 8.238 -6.129 4.602 1.00 0.00 C ATOM 0 H LEU B 177 6.233 -2.061 3.528 1.00 0.00 H new ATOM 0 HA LEU B 177 6.592 -4.162 5.437 1.00 0.00 H new ATOM 0 HB2 LEU B 177 7.316 -3.977 3.020 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.547 -2.843 3.539 1.00 0.00 H new ATOM 0 HG LEU B 177 9.358 -5.066 3.089 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.755 -5.429 5.106 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.695 -3.729 4.582 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.738 -4.262 5.984 1.00 0.00 H new ATOM 0 HD21 LEU B 177 8.967 -6.926 4.747 1.00 0.00 H new ATOM 0 HD22 LEU B 177 7.754 -5.904 5.552 1.00 0.00 H new ATOM 0 HD23 LEU B 177 7.488 -6.451 3.880 1.00 0.00 H new ATOM 2369 N LYS B 178 8.274 -1.390 6.092 1.00 0.00 N ATOM 2370 CA LYS B 178 8.964 -0.657 7.166 1.00 0.00 C ATOM 2371 C LYS B 178 8.098 -0.486 8.424 1.00 0.00 C ATOM 2372 O LYS B 178 8.573 -0.801 9.522 1.00 0.00 O ATOM 2373 CB LYS B 178 9.450 0.706 6.649 1.00 0.00 C ATOM 2374 CG LYS B 178 10.669 0.570 5.725 1.00 0.00 C ATOM 2375 CD LYS B 178 11.026 1.924 5.095 1.00 0.00 C ATOM 2376 CE LYS B 178 12.259 1.826 4.189 1.00 0.00 C ATOM 2377 NZ LYS B 178 13.520 1.791 4.971 1.00 0.00 N1+ ATOM 0 H LYS B 178 8.164 -0.846 5.236 1.00 0.00 H new ATOM 0 HA LYS B 178 9.824 -1.258 7.463 1.00 0.00 H new ATOM 0 HB2 LYS B 178 8.640 1.199 6.111 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.706 1.344 7.495 1.00 0.00 H new ATOM 0 HG2 LYS B 178 11.520 0.191 6.291 1.00 0.00 H new ATOM 0 HG3 LYS B 178 10.458 -0.157 4.941 1.00 0.00 H new ATOM 0 HD2 LYS B 178 10.178 2.290 4.516 1.00 0.00 H new ATOM 0 HD3 LYS B 178 11.212 2.653 5.883 1.00 0.00 H new ATOM 0 HE2 LYS B 178 12.188 0.928 3.575 1.00 0.00 H new ATOM 0 HE3 LYS B 178 12.278 2.677 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 14.299 1.473 4.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 13.730 2.743 5.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 13.416 1.132 5.769 1.00 0.00 H new ATOM 2391 N LEU B 179 6.841 -0.049 8.299 1.00 0.00 N ATOM 2392 CA LEU B 179 5.966 0.153 9.467 1.00 0.00 C ATOM 2393 C LEU B 179 5.565 -1.175 10.147 1.00 0.00 C ATOM 2394 O LEU B 179 5.329 -1.182 11.357 1.00 0.00 O ATOM 2395 CB LEU B 179 4.788 1.093 9.137 1.00 0.00 C ATOM 2396 CG LEU B 179 3.655 0.557 8.242 1.00 0.00 C ATOM 2397 CD1 LEU B 179 2.602 -0.239 9.016 1.00 0.00 C ATOM 2398 CD2 LEU B 179 2.926 1.715 7.564 1.00 0.00 C ATOM 0 H LEU B 179 6.404 0.172 7.404 1.00 0.00 H new ATOM 0 HA LEU B 179 6.544 0.675 10.230 1.00 0.00 H new ATOM 0 HB2 LEU B 179 4.344 1.413 10.080 1.00 0.00 H new ATOM 0 HB3 LEU B 179 5.197 1.983 8.659 1.00 0.00 H new ATOM 0 HG LEU B 179 4.138 -0.101 7.520 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.832 -0.589 8.328 1.00 0.00 H new ATOM 0 HD12 LEU B 179 3.074 -1.095 9.497 1.00 0.00 H new ATOM 0 HD13 LEU B 179 2.148 0.399 9.775 1.00 0.00 H new ATOM 0 HD21 LEU B 179 2.127 1.323 6.934 1.00 0.00 H new ATOM 0 HD22 LEU B 179 2.501 2.371 8.323 1.00 0.00 H new ATOM 0 HD23 LEU B 179 3.629 2.278 6.950 1.00 0.00 H new ATOM 2410 N LYS B 180 5.550 -2.297 9.409 1.00 0.00 N ATOM 2411 CA LYS B 180 5.377 -3.666 9.948 1.00 0.00 C ATOM 2412 C LYS B 180 6.637 -4.196 10.648 1.00 0.00 C ATOM 2413 O LYS B 180 6.523 -4.903 11.648 1.00 0.00 O ATOM 2414 CB LYS B 180 4.966 -4.617 8.810 1.00 0.00 C ATOM 2415 CG LYS B 180 3.521 -4.412 8.327 1.00 0.00 C ATOM 2416 CD LYS B 180 2.426 -4.959 9.258 1.00 0.00 C ATOM 2417 CE LYS B 180 2.484 -6.477 9.460 1.00 0.00 C ATOM 2418 NZ LYS B 180 2.226 -7.228 8.203 1.00 0.00 N1+ ATOM 0 H LYS B 180 5.660 -2.282 8.395 1.00 0.00 H new ATOM 0 HA LYS B 180 4.594 -3.620 10.705 1.00 0.00 H new ATOM 0 HB2 LYS B 180 5.645 -4.477 7.968 1.00 0.00 H new ATOM 0 HB3 LYS B 180 5.085 -5.647 9.148 1.00 0.00 H new ATOM 0 HG2 LYS B 180 3.352 -3.345 8.185 1.00 0.00 H new ATOM 0 HG3 LYS B 180 3.413 -4.885 7.351 1.00 0.00 H new ATOM 0 HD2 LYS B 180 2.510 -4.470 10.228 1.00 0.00 H new ATOM 0 HD3 LYS B 180 1.450 -4.694 8.851 1.00 0.00 H new ATOM 0 HE2 LYS B 180 3.465 -6.752 9.849 1.00 0.00 H new ATOM 0 HE3 LYS B 180 1.750 -6.769 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 1.634 -8.058 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 1.734 -6.612 7.525 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 3.130 -7.541 7.794 1.00 0.00 H new ATOM 2432 N GLN B 181 7.832 -3.829 10.178 1.00 0.00 N ATOM 2433 CA GLN B 181 9.110 -4.257 10.757 1.00 0.00 C ATOM 2434 C GLN B 181 9.397 -3.584 12.112 1.00 0.00 C ATOM 2435 O GLN B 181 9.906 -4.229 13.032 1.00 0.00 O ATOM 2436 CB GLN B 181 10.222 -3.990 9.722 1.00 0.00 C ATOM 2437 CG GLN B 181 11.625 -4.405 10.206 1.00 0.00 C ATOM 2438 CD GLN B 181 12.725 -4.168 9.170 1.00 0.00 C ATOM 2439 OE1 GLN B 181 13.802 -3.658 9.465 1.00 0.00 O ATOM 2440 NE2 GLN B 181 12.518 -4.499 7.906 1.00 0.00 N ATOM 0 H GLN B 181 7.941 -3.216 9.371 1.00 0.00 H new ATOM 0 HA GLN B 181 9.067 -5.324 10.977 1.00 0.00 H new ATOM 0 HB2 GLN B 181 9.989 -4.529 8.803 1.00 0.00 H new ATOM 0 HB3 GLN B 181 10.231 -2.928 9.476 1.00 0.00 H new ATOM 0 HG2 GLN B 181 11.866 -3.851 11.113 1.00 0.00 H new ATOM 0 HG3 GLN B 181 11.610 -5.462 10.473 1.00 0.00 H new ATOM 0 HE21 GLN B 181 11.634 -4.925 7.629 1.00 0.00 H new ATOM 0 HE22 GLN B 181 13.243 -4.329 7.209 1.00 0.00 H new ATOM 2449 N GLN B 182 9.050 -2.301 12.255 1.00 0.00 N ATOM 2450 CA GLN B 182 9.289 -1.533 13.485 1.00 0.00 C ATOM 2451 C GLN B 182 8.226 -1.755 14.583 1.00 0.00 C ATOM 2452 O GLN B 182 8.527 -1.558 15.760 1.00 0.00 O ATOM 2453 CB GLN B 182 9.475 -0.042 13.142 1.00 0.00 C ATOM 2454 CG GLN B 182 8.231 0.654 12.572 1.00 0.00 C ATOM 2455 CD GLN B 182 7.254 1.167 13.632 1.00 0.00 C ATOM 2456 OE1 GLN B 182 7.620 1.819 14.606 1.00 0.00 O ATOM 2457 NE2 GLN B 182 5.973 0.902 13.495 1.00 0.00 N ATOM 0 H GLN B 182 8.594 -1.762 11.519 1.00 0.00 H new ATOM 0 HA GLN B 182 10.211 -1.913 13.925 1.00 0.00 H new ATOM 0 HB2 GLN B 182 9.787 0.486 14.043 1.00 0.00 H new ATOM 0 HB3 GLN B 182 10.287 0.051 12.421 1.00 0.00 H new ATOM 0 HG2 GLN B 182 8.550 1.492 11.953 1.00 0.00 H new ATOM 0 HG3 GLN B 182 7.707 -0.043 11.919 1.00 0.00 H new ATOM 0 HE21 GLN B 182 5.647 0.362 12.694 1.00 0.00 H new ATOM 0 HE22 GLN B 182 5.306 1.237 14.190 1.00 0.00 H new