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: A 57 LYS NZ :NH3+ 161:sc= 0.7 (180deg=0) USER MOD Set 1.2: B 181 GLN : amide:sc= 0.637 K(o=1.3,f=-1.1) USER MOD Set 2.1: B 168 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 170 ASN :FLIP amide:sc= -0.418 F(o=-1.7,f=-0.42) USER MOD Set 3.1: A 81 GLN : amide:sc= 0.00134 X(o=0.0015,f=0) USER MOD Set 3.2: B 157 LYS NZ :NH3+ 150:sc=0.000185 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 1.1 K(o=1.1,f=-0.0055) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 1.17 (180deg=1.01) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.477 USER MOD Single : A 65 SER OG : rot 170:sc= 1.27 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= 1.57 (180deg=1.46) USER MOD Single : A 70 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : A 71 GLN : amide:sc= 1.24 K(o=1.2,f=-4.7!) USER MOD Single : A 73 MET CE :methyl 156:sc= 0 (180deg=-0.0779) USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= 2.54 (180deg=1.57) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0.253 K(o=0.25,f=-0.51) USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 119 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 160 TYR OH : rot 130:sc= 0 USER MOD Single : B 162 SER OG : rot -162:sc= 0.366 USER MOD Single : B 165 SER OG : rot 180:sc= 0 USER MOD Single : B 169 LYS NZ :NH3+ 159:sc= 1.77 (180deg=1.29) USER MOD Single : B 171 GLN : amide:sc= 0.963 K(o=0.96,f=-4.5!) USER MOD Single : B 173 MET CE :methyl -111:sc= -0.069 (180deg=-0.224) USER MOD Single : B 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 182 GLN : amide:sc= 0.413 K(o=0.41,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -8.243 -8.222 7.778 1.00 0.00 N ATOM 133 CA GLU A 11 -8.335 -7.042 6.904 1.00 0.00 C ATOM 134 C GLU A 11 -7.786 -7.308 5.492 1.00 0.00 C ATOM 135 O GLU A 11 -8.402 -6.895 4.510 1.00 0.00 O ATOM 136 CB GLU A 11 -7.587 -5.854 7.534 1.00 0.00 C ATOM 137 CG GLU A 11 -8.091 -5.447 8.927 1.00 0.00 C ATOM 138 CD GLU A 11 -9.617 -5.234 9.020 1.00 0.00 C ATOM 139 OE1 GLU A 11 -10.210 -5.566 10.074 1.00 0.00 O ATOM 140 OE2 GLU A 11 -10.231 -4.705 8.057 1.00 0.00 O1- ATOM 0 HA GLU A 11 -9.394 -6.805 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.528 -6.104 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.669 -4.995 6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.800 -6.215 9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.590 -4.526 9.226 1.00 0.00 H new ATOM 147 N LEU A 12 -6.683 -8.058 5.375 1.00 0.00 N ATOM 148 CA LEU A 12 -6.144 -8.490 4.080 1.00 0.00 C ATOM 149 C LEU A 12 -7.120 -9.456 3.381 1.00 0.00 C ATOM 150 O LEU A 12 -7.381 -9.313 2.187 1.00 0.00 O ATOM 151 CB LEU A 12 -4.769 -9.175 4.260 1.00 0.00 C ATOM 152 CG LEU A 12 -3.531 -8.297 4.524 1.00 0.00 C ATOM 153 CD1 LEU A 12 -3.212 -7.408 3.324 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.639 -7.422 5.773 1.00 0.00 C ATOM 0 H LEU A 12 -6.140 -8.382 6.175 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.016 -7.604 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.857 -9.879 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.572 -9.761 3.362 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.722 -9.008 4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.333 -6.802 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.014 -8.031 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.061 -6.756 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.727 -6.836 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.492 -6.751 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.775 -8.055 6.650 1.00 0.00 H new ATOM 166 N SER A 13 -7.714 -10.392 4.134 1.00 0.00 N ATOM 167 CA SER A 13 -8.751 -11.308 3.634 1.00 0.00 C ATOM 168 C SER A 13 -10.011 -10.571 3.144 1.00 0.00 C ATOM 169 O SER A 13 -10.568 -10.914 2.096 1.00 0.00 O ATOM 170 CB SER A 13 -9.108 -12.321 4.733 1.00 0.00 C ATOM 171 OG SER A 13 -10.063 -13.269 4.289 1.00 0.00 O ATOM 0 H SER A 13 -7.486 -10.537 5.118 1.00 0.00 H new ATOM 0 HA SER A 13 -8.344 -11.828 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.205 -12.839 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.499 -11.791 5.602 1.00 0.00 H new ATOM 0 HG SER A 13 -10.263 -13.896 5.015 1.00 0.00 H new ATOM 177 N GLU A 14 -10.437 -9.512 3.838 1.00 0.00 N ATOM 178 CA GLU A 14 -11.571 -8.680 3.434 1.00 0.00 C ATOM 179 C GLU A 14 -11.282 -7.888 2.146 1.00 0.00 C ATOM 180 O GLU A 14 -12.066 -7.974 1.200 1.00 0.00 O ATOM 181 CB GLU A 14 -11.984 -7.759 4.594 1.00 0.00 C ATOM 182 CG GLU A 14 -13.149 -6.832 4.212 1.00 0.00 C ATOM 183 CD GLU A 14 -13.856 -6.248 5.449 1.00 0.00 C ATOM 184 OE1 GLU A 14 -14.444 -7.026 6.243 1.00 0.00 O ATOM 185 OE2 GLU A 14 -13.842 -5.005 5.622 1.00 0.00 O1- ATOM 0 H GLU A 14 -9.998 -9.206 4.706 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.408 -9.337 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.271 -8.366 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.128 -7.157 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.775 -6.018 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.870 -7.386 3.611 1.00 0.00 H new ATOM 192 N ILE A 15 -10.149 -7.176 2.070 1.00 0.00 N ATOM 193 CA ILE A 15 -9.727 -6.392 0.890 1.00 0.00 C ATOM 194 C ILE A 15 -9.535 -7.271 -0.363 1.00 0.00 C ATOM 195 O ILE A 15 -9.807 -6.823 -1.477 1.00 0.00 O ATOM 196 CB ILE A 15 -8.458 -5.564 1.236 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.757 -4.410 2.219 1.00 0.00 C ATOM 198 CG2 ILE A 15 -7.745 -4.983 0.002 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.791 -3.380 1.745 1.00 0.00 C ATOM 0 H ILE A 15 -9.483 -7.125 2.841 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.528 -5.698 0.635 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.792 -6.285 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.104 -4.839 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.824 -3.888 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.869 -4.418 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.434 -5.796 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.427 -4.324 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.922 -2.617 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.443 -2.913 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.743 -3.878 1.562 1.00 0.00 H new ATOM 211 N GLU A 16 -9.122 -8.527 -0.202 1.00 0.00 N ATOM 212 CA GLU A 16 -9.061 -9.528 -1.281 1.00 0.00 C ATOM 213 C GLU A 16 -10.449 -10.053 -1.724 1.00 0.00 C ATOM 214 O GLU A 16 -10.588 -10.542 -2.847 1.00 0.00 O ATOM 215 CB GLU A 16 -8.180 -10.710 -0.831 1.00 0.00 C ATOM 216 CG GLU A 16 -6.685 -10.355 -0.870 1.00 0.00 C ATOM 217 CD GLU A 16 -5.791 -11.313 -0.059 1.00 0.00 C ATOM 218 OE1 GLU A 16 -6.270 -12.327 0.497 1.00 0.00 O ATOM 219 OE2 GLU A 16 -4.570 -11.060 0.046 1.00 0.00 O1- ATOM 0 H GLU A 16 -8.813 -8.891 0.699 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.631 -9.027 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.457 -11.005 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.367 -11.569 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.350 -10.353 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.553 -9.342 -0.490 1.00 0.00 H new ATOM 226 N GLY A 17 -11.472 -9.954 -0.870 1.00 0.00 N ATOM 227 CA GLY A 17 -12.840 -10.412 -1.143 1.00 0.00 C ATOM 228 C GLY A 17 -13.743 -9.365 -1.809 1.00 0.00 C ATOM 229 O GLY A 17 -14.480 -9.696 -2.742 1.00 0.00 O ATOM 0 H GLY A 17 -11.370 -9.541 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.793 -11.293 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.299 -10.724 -0.205 1.00 0.00 H new ATOM 233 N LEU A 18 -13.692 -8.108 -1.353 1.00 0.00 N ATOM 234 CA LEU A 18 -14.486 -6.985 -1.894 1.00 0.00 C ATOM 235 C LEU A 18 -13.955 -6.462 -3.246 1.00 0.00 C ATOM 236 O LEU A 18 -12.838 -6.791 -3.656 1.00 0.00 O ATOM 237 CB LEU A 18 -14.662 -5.904 -0.808 1.00 0.00 C ATOM 238 CG LEU A 18 -13.412 -5.205 -0.243 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.759 -4.194 -1.179 1.00 0.00 C ATOM 240 CD2 LEU A 18 -13.811 -4.477 1.043 1.00 0.00 C ATOM 0 H LEU A 18 -13.086 -7.831 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.482 -7.348 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.315 -5.132 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.190 -6.361 0.029 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.673 -5.990 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.888 -3.756 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.448 -4.695 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.474 -3.407 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.939 -3.974 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.583 -3.741 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.195 -5.198 1.765 1.00 0.00 H new ATOM 252 N GLN A 19 -14.769 -5.661 -3.951 1.00 0.00 N ATOM 253 CA GLN A 19 -14.496 -5.174 -5.318 1.00 0.00 C ATOM 254 C GLN A 19 -14.370 -3.642 -5.417 1.00 0.00 C ATOM 255 O GLN A 19 -14.547 -2.922 -4.435 1.00 0.00 O ATOM 256 CB GLN A 19 -15.509 -5.775 -6.313 1.00 0.00 C ATOM 257 CG GLN A 19 -16.956 -5.277 -6.160 1.00 0.00 C ATOM 258 CD GLN A 19 -17.896 -6.414 -5.774 1.00 0.00 C ATOM 259 OE1 GLN A 19 -18.488 -7.098 -6.605 1.00 0.00 O ATOM 260 NE2 GLN A 19 -18.045 -6.685 -4.496 1.00 0.00 N ATOM 0 H GLN A 19 -15.657 -5.324 -3.580 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.506 -5.532 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.172 -5.555 -7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.502 -6.859 -6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.996 -4.496 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.289 -4.829 -7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.559 -6.125 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.647 -7.456 -4.205 1.00 0.00 H new ATOM 269 N ASP A 20 -14.064 -3.129 -6.610 1.00 0.00 N ATOM 270 CA ASP A 20 -13.810 -1.699 -6.873 1.00 0.00 C ATOM 271 C ASP A 20 -14.974 -0.753 -6.497 1.00 0.00 C ATOM 272 O ASP A 20 -14.729 0.386 -6.096 1.00 0.00 O ATOM 273 CB ASP A 20 -13.367 -1.482 -8.334 1.00 0.00 C ATOM 274 CG ASP A 20 -14.358 -1.905 -9.442 1.00 0.00 C ATOM 275 OD1 ASP A 20 -14.072 -1.608 -10.629 1.00 0.00 O ATOM 276 OD2 ASP A 20 -15.401 -2.549 -9.172 1.00 0.00 O1- ATOM 0 H ASP A 20 -13.982 -3.707 -7.447 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.997 -1.423 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.144 -0.423 -8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.435 -2.025 -8.489 1.00 0.00 H new ATOM 281 N ASP A 21 -16.224 -1.221 -6.546 1.00 0.00 N ATOM 282 CA ASP A 21 -17.399 -0.479 -6.074 1.00 0.00 C ATOM 283 C ASP A 21 -17.392 -0.279 -4.542 1.00 0.00 C ATOM 284 O ASP A 21 -17.793 0.771 -4.035 1.00 0.00 O ATOM 285 CB ASP A 21 -18.654 -1.252 -6.507 1.00 0.00 C ATOM 286 CG ASP A 21 -19.975 -0.486 -6.276 1.00 0.00 C ATOM 287 OD1 ASP A 21 -21.000 -1.145 -5.981 1.00 0.00 O ATOM 288 OD2 ASP A 21 -20.015 0.758 -6.438 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.453 -2.142 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.386 0.518 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.569 -1.498 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.693 -2.195 -5.962 1.00 0.00 H new ATOM 293 N ASP A 22 -16.881 -1.258 -3.790 1.00 0.00 N ATOM 294 CA ASP A 22 -16.686 -1.187 -2.335 1.00 0.00 C ATOM 295 C ASP A 22 -15.445 -0.356 -1.957 1.00 0.00 C ATOM 296 O ASP A 22 -15.475 0.381 -0.972 1.00 0.00 O ATOM 297 CB ASP A 22 -16.564 -2.603 -1.747 1.00 0.00 C ATOM 298 CG ASP A 22 -17.638 -3.585 -2.232 1.00 0.00 C ATOM 299 OD1 ASP A 22 -17.260 -4.659 -2.762 1.00 0.00 O ATOM 300 OD2 ASP A 22 -18.850 -3.298 -2.077 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.582 -2.149 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.559 -0.688 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.582 -3.004 -1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.613 -2.537 -0.660 1.00 0.00 H new ATOM 305 N LEU A 23 -14.377 -0.422 -2.767 1.00 0.00 N ATOM 306 CA LEU A 23 -13.190 0.429 -2.609 1.00 0.00 C ATOM 307 C LEU A 23 -13.546 1.909 -2.832 1.00 0.00 C ATOM 308 O LEU A 23 -13.191 2.753 -2.011 1.00 0.00 O ATOM 309 CB LEU A 23 -12.069 -0.025 -3.565 1.00 0.00 C ATOM 310 CG LEU A 23 -11.512 -1.431 -3.275 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.571 -1.903 -4.386 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.710 -1.465 -1.978 1.00 0.00 C ATOM 0 H LEU A 23 -14.313 -1.070 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.824 0.326 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.449 -0.002 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.251 0.694 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.383 -2.082 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.197 -2.899 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.112 -1.935 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.733 -1.211 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.334 -2.474 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.871 -0.773 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.351 -1.172 -1.146 1.00 0.00 H new ATOM 324 N ALA A 24 -14.312 2.237 -3.873 1.00 0.00 N ATOM 325 CA ALA A 24 -14.803 3.596 -4.120 1.00 0.00 C ATOM 326 C ALA A 24 -15.672 4.143 -2.974 1.00 0.00 C ATOM 327 O ALA A 24 -15.595 5.333 -2.656 1.00 0.00 O ATOM 328 CB ALA A 24 -15.574 3.606 -5.444 1.00 0.00 C ATOM 0 H ALA A 24 -14.613 1.562 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.941 4.261 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.946 4.612 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.911 3.299 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.414 2.915 -5.381 1.00 0.00 H new ATOM 334 N ALA A 25 -16.444 3.277 -2.305 1.00 0.00 N ATOM 335 CA ALA A 25 -17.271 3.643 -1.154 1.00 0.00 C ATOM 336 C ALA A 25 -16.470 4.007 0.117 1.00 0.00 C ATOM 337 O ALA A 25 -17.028 4.659 1.006 1.00 0.00 O ATOM 338 CB ALA A 25 -18.268 2.507 -0.892 1.00 0.00 C ATOM 0 H ALA A 25 -16.511 2.290 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.799 4.563 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.894 2.762 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.896 2.364 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.724 1.586 -0.682 1.00 0.00 H new ATOM 344 N LEU A 26 -15.183 3.630 0.219 1.00 0.00 N ATOM 345 CA LEU A 26 -14.319 3.930 1.381 1.00 0.00 C ATOM 346 C LEU A 26 -13.152 4.890 1.060 1.00 0.00 C ATOM 347 O LEU A 26 -12.771 5.681 1.922 1.00 0.00 O ATOM 348 CB LEU A 26 -13.915 2.609 2.074 1.00 0.00 C ATOM 349 CG LEU A 26 -12.671 1.883 1.516 1.00 0.00 C ATOM 350 CD1 LEU A 26 -11.411 2.258 2.300 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.824 0.363 1.619 1.00 0.00 C ATOM 0 H LEU A 26 -14.705 3.102 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.893 4.509 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.741 2.818 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.761 1.924 2.020 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.580 2.191 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.553 1.731 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.246 3.333 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.536 1.977 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.933 -0.120 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.952 0.080 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.697 0.046 1.048 1.00 0.00 H new ATOM 363 N LEU A 27 -12.626 4.880 -0.173 1.00 0.00 N ATOM 364 CA LEU A 27 -11.649 5.862 -0.685 1.00 0.00 C ATOM 365 C LEU A 27 -12.298 7.219 -1.000 1.00 0.00 C ATOM 366 O LEU A 27 -11.688 8.273 -0.791 1.00 0.00 O ATOM 367 CB LEU A 27 -10.955 5.312 -1.949 1.00 0.00 C ATOM 368 CG LEU A 27 -9.682 4.481 -1.698 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.857 3.304 -0.745 1.00 0.00 C ATOM 370 CD2 LEU A 27 -9.165 3.914 -3.022 1.00 0.00 C ATOM 0 H LEU A 27 -12.873 4.171 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.912 6.023 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.669 4.695 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.699 6.151 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.985 5.178 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.907 2.782 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.187 3.669 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.602 2.618 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.265 3.327 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.929 3.277 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.932 4.733 -3.703 1.00 0.00 H new ATOM 382 N GLY A 28 -13.535 7.201 -1.507 1.00 0.00 N ATOM 383 CA GLY A 28 -14.332 8.391 -1.817 1.00 0.00 C ATOM 384 C GLY A 28 -13.615 9.352 -2.773 1.00 0.00 C ATOM 385 O GLY A 28 -13.224 8.980 -3.884 1.00 0.00 O ATOM 0 H GLY A 28 -14.024 6.331 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.279 8.083 -2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.569 8.916 -0.891 1.00 0.00 H new ATOM 389 N LYS A 29 -13.402 10.593 -2.324 1.00 0.00 N ATOM 390 CA LYS A 29 -12.705 11.660 -3.072 1.00 0.00 C ATOM 391 C LYS A 29 -11.245 11.356 -3.440 1.00 0.00 C ATOM 392 O LYS A 29 -10.738 11.910 -4.417 1.00 0.00 O ATOM 393 CB LYS A 29 -12.787 12.963 -2.263 1.00 0.00 C ATOM 394 CG LYS A 29 -12.156 12.834 -0.861 1.00 0.00 C ATOM 395 CD LYS A 29 -11.943 14.210 -0.241 1.00 0.00 C ATOM 396 CE LYS A 29 -11.202 14.130 1.102 1.00 0.00 C ATOM 397 NZ LYS A 29 -11.991 13.466 2.169 1.00 0.00 N1+ ATOM 0 H LYS A 29 -13.717 10.898 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.219 11.746 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.283 13.759 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.831 13.258 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.802 12.236 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.203 12.309 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.375 14.834 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.908 14.694 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.266 13.589 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.942 15.138 1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.386 13.307 3.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.793 14.072 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.347 12.553 1.820 1.00 0.00 H new ATOM 411 N GLU A 30 -10.565 10.479 -2.697 1.00 0.00 N ATOM 412 CA GLU A 30 -9.183 10.034 -2.972 1.00 0.00 C ATOM 413 C GLU A 30 -9.110 8.823 -3.917 1.00 0.00 C ATOM 414 O GLU A 30 -8.025 8.290 -4.169 1.00 0.00 O ATOM 415 CB GLU A 30 -8.448 9.736 -1.654 1.00 0.00 C ATOM 416 CG GLU A 30 -8.356 10.907 -0.664 1.00 0.00 C ATOM 417 CD GLU A 30 -7.836 12.217 -1.294 1.00 0.00 C ATOM 418 OE1 GLU A 30 -6.885 12.186 -2.112 1.00 0.00 O ATOM 419 OE2 GLU A 30 -8.370 13.299 -0.958 1.00 0.00 O1- ATOM 0 H GLU A 30 -10.964 10.044 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.688 10.856 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.950 8.904 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.437 9.403 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.342 11.087 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.699 10.624 0.158 1.00 0.00 H new ATOM 426 N PHE A 31 -10.252 8.358 -4.440 1.00 0.00 N ATOM 427 CA PHE A 31 -10.305 7.238 -5.396 1.00 0.00 C ATOM 428 C PHE A 31 -9.575 7.572 -6.708 1.00 0.00 C ATOM 429 O PHE A 31 -9.619 8.709 -7.186 1.00 0.00 O ATOM 430 CB PHE A 31 -11.760 6.807 -5.635 1.00 0.00 C ATOM 431 CG PHE A 31 -11.912 5.564 -6.493 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.888 4.285 -5.907 1.00 0.00 C ATOM 433 CD2 PHE A 31 -12.088 5.677 -7.884 1.00 0.00 C ATOM 434 CE1 PHE A 31 -12.062 3.135 -6.695 1.00 0.00 C ATOM 435 CE2 PHE A 31 -12.236 4.530 -8.682 1.00 0.00 C ATOM 436 CZ PHE A 31 -12.232 3.258 -8.088 1.00 0.00 C ATOM 0 H PHE A 31 -11.168 8.746 -4.214 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.775 6.392 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.237 6.629 -4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -12.297 7.629 -6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.735 4.187 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.110 6.654 -8.343 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.065 2.158 -6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.353 4.627 -9.751 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.359 2.376 -8.698 1.00 0.00 H new ATOM 446 N ILE A 32 -8.890 6.584 -7.298 1.00 0.00 N ATOM 447 CA ILE A 32 -7.988 6.780 -8.445 1.00 0.00 C ATOM 448 C ILE A 32 -8.693 7.400 -9.672 1.00 0.00 C ATOM 449 O ILE A 32 -9.887 7.175 -9.898 1.00 0.00 O ATOM 450 CB ILE A 32 -7.264 5.449 -8.770 1.00 0.00 C ATOM 451 CG1 ILE A 32 -5.881 5.649 -9.432 1.00 0.00 C ATOM 452 CG2 ILE A 32 -8.118 4.551 -9.682 1.00 0.00 C ATOM 453 CD1 ILE A 32 -4.832 6.270 -8.496 1.00 0.00 C ATOM 0 H ILE A 32 -8.946 5.613 -6.990 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.236 7.518 -8.164 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.112 4.967 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.514 4.685 -9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.996 6.287 -10.308 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.580 3.626 -9.890 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.060 4.319 -9.185 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.320 5.071 -10.618 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.888 6.380 -9.030 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.176 7.249 -8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.687 5.622 -7.631 1.00 0.00 H new ATOM 722 N TRP A 56 7.274 -13.892 7.917 1.00 0.00 N ATOM 723 CA TRP A 56 6.270 -12.815 7.983 1.00 0.00 C ATOM 724 C TRP A 56 6.401 -11.836 6.802 1.00 0.00 C ATOM 725 O TRP A 56 5.400 -11.336 6.284 1.00 0.00 O ATOM 726 CB TRP A 56 6.428 -12.075 9.326 1.00 0.00 C ATOM 727 CG TRP A 56 7.740 -11.381 9.545 1.00 0.00 C ATOM 728 CD1 TRP A 56 8.805 -11.894 10.207 1.00 0.00 C ATOM 729 CD2 TRP A 56 8.177 -10.069 9.061 1.00 0.00 C ATOM 730 NE1 TRP A 56 9.867 -11.015 10.143 1.00 0.00 N ATOM 731 CE2 TRP A 56 9.542 -9.878 9.431 1.00 0.00 C ATOM 732 CE3 TRP A 56 7.555 -9.029 8.330 1.00 0.00 C ATOM 733 CZ2 TRP A 56 10.265 -8.732 9.079 1.00 0.00 C ATOM 734 CZ3 TRP A 56 8.276 -7.877 7.956 1.00 0.00 C ATOM 735 CH2 TRP A 56 9.621 -7.728 8.329 1.00 0.00 C ATOM 0 HA TRP A 56 5.275 -13.256 7.915 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.631 -11.336 9.407 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.280 -12.793 10.133 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.821 -12.849 10.710 1.00 0.00 H new ATOM 0 HE1 TRP A 56 10.778 -11.184 10.569 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.514 -9.119 8.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 11.297 -8.620 9.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.790 -7.104 7.379 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.164 -6.840 8.040 1.00 0.00 H new ATOM 746 N LYS A 57 7.639 -11.579 6.359 1.00 0.00 N ATOM 747 CA LYS A 57 7.999 -10.628 5.300 1.00 0.00 C ATOM 748 C LYS A 57 7.552 -11.141 3.933 1.00 0.00 C ATOM 749 O LYS A 57 6.904 -10.414 3.186 1.00 0.00 O ATOM 750 CB LYS A 57 9.514 -10.390 5.367 1.00 0.00 C ATOM 751 CG LYS A 57 10.001 -9.261 4.447 1.00 0.00 C ATOM 752 CD LYS A 57 11.511 -9.018 4.612 1.00 0.00 C ATOM 753 CE LYS A 57 11.794 -8.346 5.960 1.00 0.00 C ATOM 754 NZ LYS A 57 13.234 -8.333 6.305 1.00 0.00 N1+ ATOM 0 H LYS A 57 8.455 -12.051 6.748 1.00 0.00 H new ATOM 0 HA LYS A 57 7.485 -9.679 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.791 -10.155 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.030 -11.312 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.782 -9.514 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.456 -8.344 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.048 -9.964 4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.877 -8.389 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.422 -7.322 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.242 -8.866 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.410 -7.611 7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.512 -9.267 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.792 -8.112 5.456 1.00 0.00 H new ATOM 768 N ASP A 58 7.841 -12.407 3.650 1.00 0.00 N ATOM 769 CA ASP A 58 7.386 -13.136 2.461 1.00 0.00 C ATOM 770 C ASP A 58 5.849 -13.162 2.360 1.00 0.00 C ATOM 771 O ASP A 58 5.293 -12.733 1.348 1.00 0.00 O ATOM 772 CB ASP A 58 7.970 -14.557 2.506 1.00 0.00 C ATOM 773 CG ASP A 58 7.688 -15.407 1.254 1.00 0.00 C ATOM 774 OD1 ASP A 58 7.415 -14.853 0.166 1.00 0.00 O ATOM 775 OD2 ASP A 58 7.787 -16.656 1.350 1.00 0.00 O1- ATOM 0 H ASP A 58 8.421 -12.980 4.264 1.00 0.00 H new ATOM 0 HA ASP A 58 7.741 -12.623 1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.049 -14.488 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.568 -15.073 3.378 1.00 0.00 H new ATOM 780 N ASP A 59 5.154 -13.573 3.428 1.00 0.00 N ATOM 781 CA ASP A 59 3.686 -13.660 3.456 1.00 0.00 C ATOM 782 C ASP A 59 2.982 -12.306 3.254 1.00 0.00 C ATOM 783 O ASP A 59 1.956 -12.244 2.571 1.00 0.00 O ATOM 784 CB ASP A 59 3.220 -14.304 4.772 1.00 0.00 C ATOM 785 CG ASP A 59 3.528 -15.809 4.912 1.00 0.00 C ATOM 786 OD1 ASP A 59 3.941 -16.481 3.933 1.00 0.00 O ATOM 787 OD2 ASP A 59 3.288 -16.357 6.017 1.00 0.00 O1- ATOM 0 H ASP A 59 5.596 -13.856 4.303 1.00 0.00 H new ATOM 0 HA ASP A 59 3.401 -14.284 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.688 -13.775 5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.144 -14.159 4.868 1.00 0.00 H new ATOM 792 N TYR A 60 3.528 -11.215 3.800 1.00 0.00 N ATOM 793 CA TYR A 60 2.985 -9.863 3.635 1.00 0.00 C ATOM 794 C TYR A 60 3.316 -9.272 2.250 1.00 0.00 C ATOM 795 O TYR A 60 2.410 -8.881 1.510 1.00 0.00 O ATOM 796 CB TYR A 60 3.472 -8.984 4.796 1.00 0.00 C ATOM 797 CG TYR A 60 2.807 -7.623 4.901 1.00 0.00 C ATOM 798 CD1 TYR A 60 3.588 -6.451 4.831 1.00 0.00 C ATOM 799 CD2 TYR A 60 1.417 -7.528 5.126 1.00 0.00 C ATOM 800 CE1 TYR A 60 2.987 -5.193 5.021 1.00 0.00 C ATOM 801 CE2 TYR A 60 0.812 -6.266 5.305 1.00 0.00 C ATOM 802 CZ TYR A 60 1.599 -5.094 5.264 1.00 0.00 C ATOM 803 OH TYR A 60 1.030 -3.874 5.461 1.00 0.00 O ATOM 0 H TYR A 60 4.369 -11.246 4.376 1.00 0.00 H new ATOM 0 HA TYR A 60 1.896 -9.904 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.311 -9.522 5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.547 -8.838 4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.647 -6.519 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.815 -8.424 5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.590 -4.298 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.253 -6.196 5.473 1.00 0.00 H new ATOM 0 HH TYR A 60 0.068 -3.982 5.614 1.00 0.00 H new ATOM 813 N LEU A 61 4.595 -9.246 1.854 1.00 0.00 N ATOM 814 CA LEU A 61 5.051 -8.641 0.595 1.00 0.00 C ATOM 815 C LEU A 61 4.493 -9.358 -0.652 1.00 0.00 C ATOM 816 O LEU A 61 4.137 -8.698 -1.627 1.00 0.00 O ATOM 817 CB LEU A 61 6.597 -8.596 0.586 1.00 0.00 C ATOM 818 CG LEU A 61 7.216 -7.891 -0.634 1.00 0.00 C ATOM 819 CD1 LEU A 61 6.822 -6.415 -0.738 1.00 0.00 C ATOM 820 CD2 LEU A 61 8.744 -7.956 -0.553 1.00 0.00 C ATOM 0 H LEU A 61 5.352 -9.650 2.406 1.00 0.00 H new ATOM 0 HA LEU A 61 4.658 -7.625 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.937 -8.091 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.976 -9.617 0.629 1.00 0.00 H new ATOM 0 HG LEU A 61 6.835 -8.414 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.290 -5.975 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.738 -6.333 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.156 -5.885 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.176 -7.455 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.081 -7.461 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.064 -8.998 -0.539 1.00 0.00 H new ATOM 832 N SER A 62 4.363 -10.689 -0.610 1.00 0.00 N ATOM 833 CA SER A 62 3.770 -11.485 -1.698 1.00 0.00 C ATOM 834 C SER A 62 2.296 -11.129 -1.957 1.00 0.00 C ATOM 835 O SER A 62 1.847 -11.166 -3.103 1.00 0.00 O ATOM 836 CB SER A 62 3.898 -12.977 -1.374 1.00 0.00 C ATOM 837 OG SER A 62 3.347 -13.806 -2.387 1.00 0.00 O ATOM 0 H SER A 62 4.668 -11.251 0.185 1.00 0.00 H new ATOM 0 HA SER A 62 4.320 -11.250 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.950 -13.226 -1.238 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.397 -13.184 -0.428 1.00 0.00 H new ATOM 0 HG SER A 62 3.455 -14.747 -2.134 1.00 0.00 H new ATOM 843 N ARG A 63 1.532 -10.738 -0.927 1.00 0.00 N ATOM 844 CA ARG A 63 0.153 -10.236 -1.086 1.00 0.00 C ATOM 845 C ARG A 63 0.154 -8.801 -1.617 1.00 0.00 C ATOM 846 O ARG A 63 -0.522 -8.508 -2.603 1.00 0.00 O ATOM 847 CB ARG A 63 -0.628 -10.370 0.238 1.00 0.00 C ATOM 848 CG ARG A 63 -0.810 -11.847 0.629 1.00 0.00 C ATOM 849 CD ARG A 63 -1.392 -12.042 2.039 1.00 0.00 C ATOM 850 NE ARG A 63 -2.870 -12.027 2.069 1.00 0.00 N ATOM 851 CZ ARG A 63 -3.628 -12.423 3.074 1.00 0.00 C ATOM 852 NH1 ARG A 63 -3.132 -12.734 4.237 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -4.916 -12.519 2.938 1.00 0.00 N ATOM 0 H ARG A 63 1.850 -10.760 0.042 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.361 -10.848 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.097 -9.844 1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.604 -9.895 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.467 -12.328 -0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.154 -12.352 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.037 -12.990 2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.014 -11.256 2.692 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.347 -11.679 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.126 -12.675 4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.750 -13.036 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.353 -12.287 2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.490 -12.826 3.723 1.00 0.00 H new ATOM 867 N LEU A 64 0.966 -7.917 -1.031 1.00 0.00 N ATOM 868 CA LEU A 64 1.030 -6.498 -1.412 1.00 0.00 C ATOM 869 C LEU A 64 1.588 -6.256 -2.830 1.00 0.00 C ATOM 870 O LEU A 64 1.247 -5.248 -3.449 1.00 0.00 O ATOM 871 CB LEU A 64 1.816 -5.711 -0.344 1.00 0.00 C ATOM 872 CG LEU A 64 0.935 -5.164 0.800 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.310 -6.229 1.706 1.00 0.00 C ATOM 874 CD2 LEU A 64 1.761 -4.225 1.676 1.00 0.00 C ATOM 0 H LEU A 64 1.603 -8.165 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 64 0.005 -6.129 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.584 -6.358 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.330 -4.878 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 64 0.110 -4.654 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.289 -5.745 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.325 -6.885 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.099 -6.816 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.139 -3.839 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.606 -4.770 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.129 -3.395 1.073 1.00 0.00 H new ATOM 886 N SER A 65 2.372 -7.166 -3.415 1.00 0.00 N ATOM 887 CA SER A 65 2.768 -7.067 -4.832 1.00 0.00 C ATOM 888 C SER A 65 1.618 -7.399 -5.799 1.00 0.00 C ATOM 889 O SER A 65 1.512 -6.789 -6.868 1.00 0.00 O ATOM 890 CB SER A 65 3.983 -7.958 -5.109 1.00 0.00 C ATOM 891 OG SER A 65 3.659 -9.328 -4.978 1.00 0.00 O ATOM 0 H SER A 65 2.748 -7.982 -2.933 1.00 0.00 H new ATOM 0 HA SER A 65 3.036 -6.026 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.355 -7.765 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.787 -7.705 -4.418 1.00 0.00 H new ATOM 0 HG SER A 65 4.399 -9.873 -5.319 1.00 0.00 H new ATOM 897 N ARG A 66 0.718 -8.313 -5.418 1.00 0.00 N ATOM 898 CA ARG A 66 -0.451 -8.745 -6.211 1.00 0.00 C ATOM 899 C ARG A 66 -1.620 -7.766 -6.150 1.00 0.00 C ATOM 900 O ARG A 66 -2.301 -7.574 -7.157 1.00 0.00 O ATOM 901 CB ARG A 66 -0.927 -10.130 -5.724 1.00 0.00 C ATOM 902 CG ARG A 66 0.129 -11.232 -5.915 1.00 0.00 C ATOM 903 CD ARG A 66 -0.253 -12.492 -5.122 1.00 0.00 C ATOM 904 NE ARG A 66 0.939 -13.303 -4.820 1.00 0.00 N ATOM 905 CZ ARG A 66 1.436 -14.336 -5.470 1.00 0.00 C ATOM 906 NH1 ARG A 66 0.861 -14.847 -6.522 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 2.551 -14.868 -5.061 1.00 0.00 N ATOM 0 H ARG A 66 0.781 -8.792 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.122 -8.788 -7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.190 -10.067 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.833 -10.406 -6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.220 -11.476 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.103 -10.870 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.748 -12.207 -4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.966 -13.085 -5.695 1.00 0.00 H new ATOM 0 HE ARG A 66 1.455 -13.024 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.009 -14.447 -6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.281 -15.647 -6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.030 -14.485 -4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.946 -15.668 -5.556 1.00 0.00 H new ATOM 921 N LEU A 67 -1.868 -7.156 -4.988 1.00 0.00 N ATOM 922 CA LEU A 67 -2.994 -6.245 -4.750 1.00 0.00 C ATOM 923 C LEU A 67 -2.921 -4.983 -5.631 1.00 0.00 C ATOM 924 O LEU A 67 -1.848 -4.454 -5.936 1.00 0.00 O ATOM 925 CB LEU A 67 -3.102 -5.910 -3.248 1.00 0.00 C ATOM 926 CG LEU A 67 -4.144 -6.771 -2.509 1.00 0.00 C ATOM 927 CD1 LEU A 67 -3.857 -8.266 -2.527 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.230 -6.334 -1.048 1.00 0.00 C ATOM 0 H LEU A 67 -1.278 -7.284 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.910 -6.756 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.127 -6.049 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.363 -4.858 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.079 -6.613 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.641 -8.794 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.829 -8.619 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.895 -8.458 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.968 -6.945 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.257 -6.458 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.527 -5.286 -0.998 1.00 0.00 H new ATOM 940 N SER A 68 -4.096 -4.509 -6.053 1.00 0.00 N ATOM 941 CA SER A 68 -4.279 -3.311 -6.878 1.00 0.00 C ATOM 942 C SER A 68 -3.990 -2.021 -6.097 1.00 0.00 C ATOM 943 O SER A 68 -4.068 -2.004 -4.867 1.00 0.00 O ATOM 944 CB SER A 68 -5.705 -3.311 -7.449 1.00 0.00 C ATOM 945 OG SER A 68 -5.915 -2.212 -8.315 1.00 0.00 O ATOM 0 H SER A 68 -4.978 -4.965 -5.821 1.00 0.00 H new ATOM 0 HA SER A 68 -3.559 -3.338 -7.696 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.882 -4.241 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.426 -3.275 -6.632 1.00 0.00 H new ATOM 0 HG SER A 68 -6.830 -2.240 -8.664 1.00 0.00 H new ATOM 951 N LYS A 69 -3.709 -0.925 -6.812 1.00 0.00 N ATOM 952 CA LYS A 69 -3.503 0.433 -6.273 1.00 0.00 C ATOM 953 C LYS A 69 -4.540 0.796 -5.202 1.00 0.00 C ATOM 954 O LYS A 69 -4.192 1.136 -4.072 1.00 0.00 O ATOM 955 CB LYS A 69 -3.549 1.392 -7.484 1.00 0.00 C ATOM 956 CG LYS A 69 -3.436 2.884 -7.152 1.00 0.00 C ATOM 957 CD LYS A 69 -2.093 3.255 -6.519 1.00 0.00 C ATOM 958 CE LYS A 69 -1.942 4.775 -6.544 1.00 0.00 C ATOM 959 NZ LYS A 69 -0.728 5.228 -5.836 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.614 -0.957 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.543 0.505 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.740 1.127 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.484 1.227 -8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.575 3.465 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.241 3.161 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.044 2.887 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.275 2.785 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.906 5.118 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.819 5.233 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.557 6.232 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.859 5.108 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.088 4.664 -6.149 1.00 0.00 H new ATOM 973 N ASN A 70 -5.822 0.647 -5.536 1.00 0.00 N ATOM 974 CA ASN A 70 -6.953 0.969 -4.662 1.00 0.00 C ATOM 975 C ASN A 70 -7.043 0.039 -3.434 1.00 0.00 C ATOM 976 O ASN A 70 -7.367 0.506 -2.342 1.00 0.00 O ATOM 977 CB ASN A 70 -8.239 0.909 -5.514 1.00 0.00 C ATOM 978 CG ASN A 70 -8.199 1.799 -6.746 1.00 0.00 C ATOM 979 OD1 ASN A 70 -7.528 1.521 -7.732 1.00 0.00 O ATOM 980 ND2 ASN A 70 -8.915 2.894 -6.750 1.00 0.00 N ATOM 0 H ASN A 70 -6.112 0.289 -6.446 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.814 1.970 -4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.409 -0.121 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.088 1.199 -4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.910 3.504 -7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.479 3.138 -5.936 1.00 0.00 H new ATOM 987 N GLN A 71 -6.701 -1.250 -3.586 1.00 0.00 N ATOM 988 CA GLN A 71 -6.646 -2.226 -2.487 1.00 0.00 C ATOM 989 C GLN A 71 -5.522 -1.909 -1.488 1.00 0.00 C ATOM 990 O GLN A 71 -5.723 -1.998 -0.281 1.00 0.00 O ATOM 991 CB GLN A 71 -6.468 -3.640 -3.050 1.00 0.00 C ATOM 992 CG GLN A 71 -7.707 -4.171 -3.784 1.00 0.00 C ATOM 993 CD GLN A 71 -7.458 -5.564 -4.352 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.600 -5.767 -5.202 1.00 0.00 O ATOM 995 NE2 GLN A 71 -8.166 -6.582 -3.907 1.00 0.00 N ATOM 0 H GLN A 71 -6.451 -1.649 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.590 -2.164 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.620 -3.645 -3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.221 -4.319 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.554 -4.201 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.975 -3.489 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.885 -6.433 -3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.995 -7.520 -4.270 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.345 -1.494 -1.976 1.00 0.00 N ATOM 1005 CA LEU A 72 -3.212 -1.068 -1.143 1.00 0.00 C ATOM 1006 C LEU A 72 -3.534 0.208 -0.353 1.00 0.00 C ATOM 1007 O LEU A 72 -3.281 0.273 0.853 1.00 0.00 O ATOM 1008 CB LEU A 72 -1.979 -0.852 -2.035 1.00 0.00 C ATOM 1009 CG LEU A 72 -1.471 -2.126 -2.723 1.00 0.00 C ATOM 1010 CD1 LEU A 72 -0.394 -1.777 -3.740 1.00 0.00 C ATOM 1011 CD2 LEU A 72 -0.887 -3.115 -1.721 1.00 0.00 C ATOM 0 H LEU A 72 -4.150 -1.444 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.006 -1.853 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.221 -0.112 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.175 -0.434 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.326 -2.588 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.040 -2.688 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.808 -1.105 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.439 -1.287 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.539 -4.003 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.050 -2.652 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.654 -3.398 -1.000 1.00 0.00 H new ATOM 1023 N MET A 73 -4.155 1.197 -1.010 1.00 0.00 N ATOM 1024 CA MET A 73 -4.695 2.395 -0.358 1.00 0.00 C ATOM 1025 C MET A 73 -5.740 2.052 0.724 1.00 0.00 C ATOM 1026 O MET A 73 -5.747 2.685 1.780 1.00 0.00 O ATOM 1027 CB MET A 73 -5.260 3.328 -1.448 1.00 0.00 C ATOM 1028 CG MET A 73 -4.131 4.128 -2.116 1.00 0.00 C ATOM 1029 SD MET A 73 -4.239 4.389 -3.911 1.00 0.00 S ATOM 1030 CE MET A 73 -5.759 5.355 -4.082 1.00 0.00 C ATOM 0 H MET A 73 -4.297 1.186 -2.020 1.00 0.00 H new ATOM 0 HA MET A 73 -3.895 2.909 0.175 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.789 2.740 -2.198 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.986 4.012 -1.008 1.00 0.00 H new ATOM 0 HG2 MET A 73 -4.081 5.105 -1.636 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.189 3.621 -1.905 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.724 5.928 -5.009 1.00 0.00 H new ATOM 0 HE2 MET A 73 -6.617 4.683 -4.103 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.853 6.037 -3.237 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.577 1.028 0.515 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.591 0.606 1.482 1.00 0.00 C ATOM 1042 C ALA A 74 -7.014 -0.158 2.690 1.00 0.00 C ATOM 1043 O ALA A 74 -7.301 0.206 3.834 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.664 -0.195 0.751 1.00 0.00 C ATOM 0 H ALA A 74 -6.567 0.467 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.036 1.501 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.426 -0.515 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.123 0.428 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.211 -1.070 0.286 1.00 0.00 H new ATOM 1050 N LEU A 75 -6.178 -1.188 2.483 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.621 -2.001 3.585 1.00 0.00 C ATOM 1052 C LEU A 75 -4.722 -1.178 4.528 1.00 0.00 C ATOM 1053 O LEU A 75 -4.730 -1.379 5.743 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.923 -3.268 3.027 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.453 -3.123 2.570 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -2.450 -3.483 3.673 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -3.159 -4.057 1.396 1.00 0.00 C ATOM 0 H LEU A 75 -5.869 -1.482 1.556 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.450 -2.338 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.963 -4.041 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.506 -3.629 2.180 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.336 -2.075 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.435 -3.363 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.599 -2.825 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.603 -4.518 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.120 -3.940 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.334 -5.089 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.814 -3.809 0.561 1.00 0.00 H new ATOM 1069 N ALA A 76 -3.990 -0.208 3.973 1.00 0.00 N ATOM 1070 CA ALA A 76 -3.162 0.719 4.727 1.00 0.00 C ATOM 1071 C ALA A 76 -3.996 1.711 5.565 1.00 0.00 C ATOM 1072 O ALA A 76 -3.649 2.006 6.709 1.00 0.00 O ATOM 1073 CB ALA A 76 -2.264 1.432 3.720 1.00 0.00 C ATOM 0 H ALA A 76 -3.960 -0.047 2.966 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.562 0.176 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.622 2.141 4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.647 0.699 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.881 1.966 2.997 1.00 0.00 H new ATOM 1079 N LEU A 77 -5.131 2.188 5.034 1.00 0.00 N ATOM 1080 CA LEU A 77 -6.073 3.036 5.773 1.00 0.00 C ATOM 1081 C LEU A 77 -6.740 2.245 6.912 1.00 0.00 C ATOM 1082 O LEU A 77 -6.791 2.721 8.045 1.00 0.00 O ATOM 1083 CB LEU A 77 -7.088 3.636 4.776 1.00 0.00 C ATOM 1084 CG LEU A 77 -7.813 4.931 5.185 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -8.751 4.765 6.383 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -6.821 6.068 5.454 1.00 0.00 C ATOM 0 H LEU A 77 -5.421 1.995 4.075 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.547 3.861 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.565 3.826 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.845 2.879 4.571 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.437 5.188 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.224 5.720 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.518 4.028 6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.180 4.428 7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.367 6.967 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.148 5.780 6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.242 6.267 4.552 1.00 0.00 H new ATOM 1098 N LYS A 78 -7.162 0.998 6.656 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.716 0.079 7.673 1.00 0.00 C ATOM 1100 C LYS A 78 -6.770 -0.139 8.863 1.00 0.00 C ATOM 1101 O LYS A 78 -7.181 0.072 10.005 1.00 0.00 O ATOM 1102 CB LYS A 78 -8.056 -1.274 7.026 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.385 -1.244 6.265 1.00 0.00 C ATOM 1104 CD LYS A 78 -9.528 -2.549 5.469 1.00 0.00 C ATOM 1105 CE LYS A 78 -10.976 -2.882 5.082 1.00 0.00 C ATOM 1106 NZ LYS A 78 -11.792 -3.237 6.269 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.129 0.589 5.722 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.619 0.548 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.256 -1.557 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.101 -2.041 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.216 -1.133 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.416 -0.386 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.926 -2.479 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.121 -3.370 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.423 -2.027 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.982 -3.711 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.596 -3.827 5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.206 -3.764 6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.147 -2.369 6.719 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.501 -0.490 8.611 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.528 -0.733 9.692 1.00 0.00 C ATOM 1122 C LEU A 79 -4.143 0.548 10.456 1.00 0.00 C ATOM 1123 O LEU A 79 -3.778 0.456 11.632 1.00 0.00 O ATOM 1124 CB LEU A 79 -3.326 -1.556 9.179 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.310 -0.857 8.252 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -1.257 -0.039 9.003 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.556 -1.906 7.438 1.00 0.00 C ATOM 0 H LEU A 79 -5.123 -0.612 7.672 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.017 -1.348 10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.783 -1.930 10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.718 -2.424 8.650 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.894 -0.181 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.577 0.423 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.749 0.737 9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.694 -0.694 9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.838 -1.412 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.028 -2.579 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.263 -2.477 6.836 1.00 0.00 H new ATOM 1139 N LYS A 80 -4.272 1.731 9.836 1.00 0.00 N ATOM 1140 CA LYS A 80 -4.108 3.044 10.486 1.00 0.00 C ATOM 1141 C LYS A 80 -5.319 3.410 11.357 1.00 0.00 C ATOM 1142 O LYS A 80 -5.152 3.881 12.480 1.00 0.00 O ATOM 1143 CB LYS A 80 -3.837 4.105 9.407 1.00 0.00 C ATOM 1144 CG LYS A 80 -3.469 5.482 9.988 1.00 0.00 C ATOM 1145 CD LYS A 80 -3.174 6.481 8.862 1.00 0.00 C ATOM 1146 CE LYS A 80 -2.784 7.867 9.400 1.00 0.00 C ATOM 1147 NZ LYS A 80 -1.400 7.889 9.947 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.499 1.805 8.844 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.256 2.999 11.164 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.027 3.761 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.721 4.208 8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.287 5.853 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.598 5.388 10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.367 6.095 8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.052 6.575 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.868 8.602 8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.486 8.163 10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.181 8.843 10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.325 7.207 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.726 7.633 9.197 1.00 0.00 H new ATOM 1161 N GLN A 81 -6.534 3.144 10.878 1.00 0.00 N ATOM 1162 CA GLN A 81 -7.790 3.500 11.555 1.00 0.00 C ATOM 1163 C GLN A 81 -8.014 2.689 12.843 1.00 0.00 C ATOM 1164 O GLN A 81 -8.554 3.213 13.820 1.00 0.00 O ATOM 1165 CB GLN A 81 -8.942 3.319 10.552 1.00 0.00 C ATOM 1166 CG GLN A 81 -10.307 3.755 11.112 1.00 0.00 C ATOM 1167 CD GLN A 81 -11.319 4.067 10.010 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -11.868 5.160 9.920 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -11.601 3.147 9.109 1.00 0.00 N ATOM 0 H GLN A 81 -6.680 2.665 9.990 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.743 4.540 11.878 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.725 3.894 9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.996 2.271 10.256 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.703 2.966 11.751 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.174 4.637 11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.158 2.230 9.161 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.262 3.353 8.360 1.00 0.00 H new ATOM 1178 N GLN A 82 -7.564 1.428 12.871 1.00 0.00 N ATOM 1179 CA GLN A 82 -7.632 0.564 14.059 1.00 0.00 C ATOM 1180 C GLN A 82 -6.487 0.788 15.070 1.00 0.00 C ATOM 1181 O GLN A 82 -6.704 0.605 16.268 1.00 0.00 O ATOM 1182 CB GLN A 82 -7.748 -0.906 13.610 1.00 0.00 C ATOM 1183 CG GLN A 82 -6.507 -1.464 12.891 1.00 0.00 C ATOM 1184 CD GLN A 82 -5.443 -2.044 13.825 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -5.723 -2.733 14.796 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -4.177 -1.795 13.566 1.00 0.00 N ATOM 0 H GLN A 82 -7.138 0.974 12.063 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.527 0.841 14.617 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.951 -1.523 14.485 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.608 -1.001 12.947 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.824 -2.240 12.195 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.057 -0.668 12.298 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.924 -1.222 12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.449 -2.175 14.171 1.00 0.00 H new ATOM 1403 N GLU B 111 8.531 6.475 8.821 1.00 0.00 N ATOM 1404 CA GLU B 111 8.818 5.622 7.663 1.00 0.00 C ATOM 1405 C GLU B 111 8.499 6.328 6.331 1.00 0.00 C ATOM 1406 O GLU B 111 9.267 6.234 5.370 1.00 0.00 O ATOM 1407 CB GLU B 111 8.007 4.310 7.767 1.00 0.00 C ATOM 1408 CG GLU B 111 8.353 3.411 8.972 1.00 0.00 C ATOM 1409 CD GLU B 111 7.911 3.929 10.357 1.00 0.00 C ATOM 1410 OE1 GLU B 111 6.981 4.763 10.451 1.00 0.00 O ATOM 1411 OE2 GLU B 111 8.512 3.499 11.371 1.00 0.00 O1- ATOM 0 HA GLU B 111 9.886 5.402 7.672 1.00 0.00 H new ATOM 0 HB2 GLU B 111 6.947 4.561 7.815 1.00 0.00 H new ATOM 0 HB3 GLU B 111 8.158 3.736 6.852 1.00 0.00 H new ATOM 0 HG2 GLU B 111 7.900 2.433 8.811 1.00 0.00 H new ATOM 0 HG3 GLU B 111 9.433 3.263 8.990 1.00 0.00 H new ATOM 1418 N LEU B 112 7.402 7.089 6.280 1.00 0.00 N ATOM 1419 CA LEU B 112 6.968 7.855 5.106 1.00 0.00 C ATOM 1420 C LEU B 112 7.988 8.935 4.712 1.00 0.00 C ATOM 1421 O LEU B 112 8.212 9.158 3.520 1.00 0.00 O ATOM 1422 CB LEU B 112 5.590 8.491 5.391 1.00 0.00 C ATOM 1423 CG LEU B 112 4.359 7.580 5.212 1.00 0.00 C ATOM 1424 CD1 LEU B 112 4.112 7.229 3.745 1.00 0.00 C ATOM 1425 CD2 LEU B 112 4.426 6.280 6.016 1.00 0.00 C ATOM 0 H LEU B 112 6.773 7.193 7.076 1.00 0.00 H new ATOM 0 HA LEU B 112 6.890 7.169 4.263 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.592 8.864 6.415 1.00 0.00 H new ATOM 0 HB3 LEU B 112 5.472 9.355 4.738 1.00 0.00 H new ATOM 0 HG LEU B 112 3.531 8.174 5.599 1.00 0.00 H new ATOM 0 HD11 LEU B 112 3.235 6.586 3.667 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.943 8.143 3.176 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.981 6.707 3.344 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.524 5.694 5.837 1.00 0.00 H new ATOM 0 HD22 LEU B 112 5.299 5.706 5.707 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.502 6.513 7.078 1.00 0.00 H new ATOM 1437 N SER B 113 8.655 9.562 5.688 1.00 0.00 N ATOM 1438 CA SER B 113 9.704 10.563 5.449 1.00 0.00 C ATOM 1439 C SER B 113 10.919 9.973 4.713 1.00 0.00 C ATOM 1440 O SER B 113 11.506 10.625 3.844 1.00 0.00 O ATOM 1441 CB SER B 113 10.121 11.191 6.787 1.00 0.00 C ATOM 1442 OG SER B 113 11.040 12.256 6.592 1.00 0.00 O ATOM 0 H SER B 113 8.480 9.387 6.678 1.00 0.00 H new ATOM 0 HA SER B 113 9.295 11.334 4.796 1.00 0.00 H new ATOM 0 HB2 SER B 113 9.238 11.560 7.309 1.00 0.00 H new ATOM 0 HB3 SER B 113 10.572 10.430 7.424 1.00 0.00 H new ATOM 0 HG SER B 113 11.287 12.638 7.460 1.00 0.00 H new ATOM 1448 N GLU B 114 11.269 8.711 4.986 1.00 0.00 N ATOM 1449 CA GLU B 114 12.321 7.974 4.266 1.00 0.00 C ATOM 1450 C GLU B 114 11.875 7.583 2.848 1.00 0.00 C ATOM 1451 O GLU B 114 12.592 7.861 1.891 1.00 0.00 O ATOM 1452 CB GLU B 114 12.750 6.747 5.099 1.00 0.00 C ATOM 1453 CG GLU B 114 13.880 5.908 4.468 1.00 0.00 C ATOM 1454 CD GLU B 114 15.195 6.686 4.246 1.00 0.00 C ATOM 1455 OE1 GLU B 114 15.984 6.283 3.358 1.00 0.00 O ATOM 1456 OE2 GLU B 114 15.484 7.661 4.987 1.00 0.00 O1- ATOM 0 H GLU B 114 10.825 8.163 5.723 1.00 0.00 H new ATOM 0 HA GLU B 114 13.185 8.626 4.140 1.00 0.00 H new ATOM 0 HB2 GLU B 114 13.073 7.087 6.083 1.00 0.00 H new ATOM 0 HB3 GLU B 114 11.882 6.106 5.252 1.00 0.00 H new ATOM 0 HG2 GLU B 114 14.082 5.050 5.109 1.00 0.00 H new ATOM 0 HG3 GLU B 114 13.536 5.517 3.511 1.00 0.00 H new ATOM 1463 N ILE B 115 10.680 6.999 2.692 1.00 0.00 N ATOM 1464 CA ILE B 115 10.140 6.533 1.397 1.00 0.00 C ATOM 1465 C ILE B 115 9.893 7.682 0.398 1.00 0.00 C ATOM 1466 O ILE B 115 10.068 7.500 -0.808 1.00 0.00 O ATOM 1467 CB ILE B 115 8.878 5.669 1.620 1.00 0.00 C ATOM 1468 CG1 ILE B 115 9.166 4.400 2.455 1.00 0.00 C ATOM 1469 CG2 ILE B 115 8.217 5.248 0.292 1.00 0.00 C ATOM 1470 CD1 ILE B 115 10.285 3.484 1.942 1.00 0.00 C ATOM 0 H ILE B 115 10.046 6.832 3.473 1.00 0.00 H new ATOM 0 HA ILE B 115 10.903 5.908 0.932 1.00 0.00 H new ATOM 0 HB ILE B 115 8.192 6.308 2.176 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.416 4.709 3.470 1.00 0.00 H new ATOM 0 HG13 ILE B 115 8.248 3.816 2.516 1.00 0.00 H new ATOM 0 HG21 ILE B 115 7.335 4.643 0.501 1.00 0.00 H new ATOM 0 HG22 ILE B 115 7.924 6.137 -0.266 1.00 0.00 H new ATOM 0 HG23 ILE B 115 8.925 4.666 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE B 115 10.391 2.630 2.611 1.00 0.00 H new ATOM 0 HD12 ILE B 115 10.037 3.132 0.941 1.00 0.00 H new ATOM 0 HD13 ILE B 115 11.223 4.038 1.909 1.00 0.00 H new ATOM 1482 N GLU B 116 9.539 8.878 0.873 1.00 0.00 N ATOM 1483 CA GLU B 116 9.428 10.097 0.059 1.00 0.00 C ATOM 1484 C GLU B 116 10.790 10.682 -0.381 1.00 0.00 C ATOM 1485 O GLU B 116 10.840 11.443 -1.350 1.00 0.00 O ATOM 1486 CB GLU B 116 8.626 11.149 0.843 1.00 0.00 C ATOM 1487 CG GLU B 116 7.123 10.824 0.919 1.00 0.00 C ATOM 1488 CD GLU B 116 6.340 11.767 1.860 1.00 0.00 C ATOM 1489 OE1 GLU B 116 5.209 11.404 2.270 1.00 0.00 O ATOM 1490 OE2 GLU B 116 6.808 12.889 2.177 1.00 0.00 O1- ATOM 0 H GLU B 116 9.316 9.033 1.856 1.00 0.00 H new ATOM 0 HA GLU B 116 8.914 9.821 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU B 116 9.027 11.225 1.854 1.00 0.00 H new ATOM 0 HB3 GLU B 116 8.758 12.124 0.373 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.695 10.883 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.997 9.796 1.259 1.00 0.00 H new ATOM 1497 N GLY B 117 11.888 10.343 0.312 1.00 0.00 N ATOM 1498 CA GLY B 117 13.232 10.892 0.060 1.00 0.00 C ATOM 1499 C GLY B 117 14.125 10.030 -0.857 1.00 0.00 C ATOM 1500 O GLY B 117 14.945 10.574 -1.602 1.00 0.00 O ATOM 0 H GLY B 117 11.868 9.668 1.077 1.00 0.00 H new ATOM 0 HA2 GLY B 117 13.127 11.881 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY B 117 13.739 11.025 1.016 1.00 0.00 H new ATOM 1504 N LEU B 118 13.973 8.702 -0.807 1.00 0.00 N ATOM 1505 CA LEU B 118 14.748 7.728 -1.597 1.00 0.00 C ATOM 1506 C LEU B 118 14.330 7.657 -3.087 1.00 0.00 C ATOM 1507 O LEU B 118 13.413 8.360 -3.530 1.00 0.00 O ATOM 1508 CB LEU B 118 14.701 6.368 -0.862 1.00 0.00 C ATOM 1509 CG LEU B 118 13.334 5.698 -0.666 1.00 0.00 C ATOM 1510 CD1 LEU B 118 12.640 5.275 -1.958 1.00 0.00 C ATOM 1511 CD2 LEU B 118 13.524 4.435 0.170 1.00 0.00 C ATOM 0 H LEU B 118 13.286 8.257 -0.198 1.00 0.00 H new ATOM 0 HA LEU B 118 15.784 8.060 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.338 5.672 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU B 118 15.149 6.505 0.122 1.00 0.00 H new ATOM 0 HG LEU B 118 12.705 6.448 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU B 118 11.682 4.811 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.474 6.151 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU B 118 13.267 4.560 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU B 118 12.560 3.948 0.318 1.00 0.00 H new ATOM 0 HD22 LEU B 118 14.199 3.754 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU B 118 13.949 4.700 1.138 1.00 0.00 H new ATOM 1523 N GLN B 119 14.992 6.793 -3.867 1.00 0.00 N ATOM 1524 CA GLN B 119 14.720 6.572 -5.296 1.00 0.00 C ATOM 1525 C GLN B 119 14.577 5.081 -5.663 1.00 0.00 C ATOM 1526 O GLN B 119 14.765 4.195 -4.826 1.00 0.00 O ATOM 1527 CB GLN B 119 15.769 7.312 -6.143 1.00 0.00 C ATOM 1528 CG GLN B 119 17.198 6.758 -6.039 1.00 0.00 C ATOM 1529 CD GLN B 119 18.141 7.769 -5.403 1.00 0.00 C ATOM 1530 OE1 GLN B 119 18.768 8.593 -6.059 1.00 0.00 O ATOM 1531 NE2 GLN B 119 18.253 7.766 -4.094 1.00 0.00 N ATOM 0 H GLN B 119 15.752 6.212 -3.514 1.00 0.00 H new ATOM 0 HA GLN B 119 13.742 6.996 -5.526 1.00 0.00 H new ATOM 0 HB2 GLN B 119 15.459 7.280 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN B 119 15.780 8.361 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN B 119 17.192 5.842 -5.448 1.00 0.00 H new ATOM 0 HG3 GLN B 119 17.561 6.495 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN B 119 17.735 7.084 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN B 119 18.858 8.445 -3.632 1.00 0.00 H new ATOM 1540 N ASP B 120 14.228 4.775 -6.917 1.00 0.00 N ATOM 1541 CA ASP B 120 13.866 3.422 -7.381 1.00 0.00 C ATOM 1542 C ASP B 120 14.972 2.364 -7.206 1.00 0.00 C ATOM 1543 O ASP B 120 14.684 1.184 -7.006 1.00 0.00 O ATOM 1544 CB ASP B 120 13.422 3.468 -8.853 1.00 0.00 C ATOM 1545 CG ASP B 120 12.383 4.560 -9.147 1.00 0.00 C ATOM 1546 OD1 ASP B 120 12.768 5.750 -9.259 1.00 0.00 O ATOM 1547 OD2 ASP B 120 11.179 4.231 -9.257 1.00 0.00 O1- ATOM 0 H ASP B 120 14.187 5.474 -7.659 1.00 0.00 H new ATOM 0 HA ASP B 120 13.045 3.105 -6.737 1.00 0.00 H new ATOM 0 HB2 ASP B 120 14.297 3.631 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP B 120 13.007 2.499 -9.129 1.00 0.00 H new ATOM 1552 N ASP B 121 16.247 2.772 -7.230 1.00 0.00 N ATOM 1553 CA ASP B 121 17.388 1.894 -6.940 1.00 0.00 C ATOM 1554 C ASP B 121 17.400 1.406 -5.470 1.00 0.00 C ATOM 1555 O ASP B 121 17.771 0.265 -5.181 1.00 0.00 O ATOM 1556 CB ASP B 121 18.678 2.660 -7.267 1.00 0.00 C ATOM 1557 CG ASP B 121 19.946 1.785 -7.221 1.00 0.00 C ATOM 1558 OD1 ASP B 121 19.910 0.599 -7.634 1.00 0.00 O ATOM 1559 OD2 ASP B 121 21.019 2.305 -6.823 1.00 0.00 O1- ATOM 0 H ASP B 121 16.518 3.730 -7.453 1.00 0.00 H new ATOM 0 HA ASP B 121 17.307 0.999 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.587 3.100 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP B 121 18.790 3.484 -6.562 1.00 0.00 H new ATOM 1564 N ASP B 122 16.934 2.250 -4.543 1.00 0.00 N ATOM 1565 CA ASP B 122 16.757 1.912 -3.127 1.00 0.00 C ATOM 1566 C ASP B 122 15.526 1.012 -2.902 1.00 0.00 C ATOM 1567 O ASP B 122 15.570 0.095 -2.080 1.00 0.00 O ATOM 1568 CB ASP B 122 16.626 3.198 -2.290 1.00 0.00 C ATOM 1569 CG ASP B 122 17.731 4.231 -2.571 1.00 0.00 C ATOM 1570 OD1 ASP B 122 17.393 5.409 -2.843 1.00 0.00 O ATOM 1571 OD2 ASP B 122 18.932 3.877 -2.485 1.00 0.00 O1- ATOM 0 H ASP B 122 16.663 3.209 -4.762 1.00 0.00 H new ATOM 0 HA ASP B 122 17.638 1.356 -2.808 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.656 3.653 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.645 2.936 -1.232 1.00 0.00 H new ATOM 1576 N LEU B 123 14.446 1.227 -3.663 1.00 0.00 N ATOM 1577 CA LEU B 123 13.260 0.360 -3.644 1.00 0.00 C ATOM 1578 C LEU B 123 13.598 -1.058 -4.131 1.00 0.00 C ATOM 1579 O LEU B 123 13.262 -2.030 -3.455 1.00 0.00 O ATOM 1580 CB LEU B 123 12.118 0.972 -4.478 1.00 0.00 C ATOM 1581 CG LEU B 123 11.595 2.305 -3.912 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.614 2.977 -4.873 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.859 2.090 -2.585 1.00 0.00 C ATOM 0 H LEU B 123 14.369 2.010 -4.312 1.00 0.00 H new ATOM 0 HA LEU B 123 12.921 0.283 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.468 1.131 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.294 0.260 -4.531 1.00 0.00 H new ATOM 0 HG LEU B 123 12.470 2.939 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU B 123 10.266 3.915 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU B 123 11.113 3.178 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.763 2.318 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.501 3.048 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU B 123 10.012 1.422 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.540 1.647 -1.859 1.00 0.00 H new ATOM 1595 N ALA B 124 14.325 -1.191 -5.244 1.00 0.00 N ATOM 1596 CA ALA B 124 14.771 -2.485 -5.761 1.00 0.00 C ATOM 1597 C ALA B 124 15.702 -3.236 -4.782 1.00 0.00 C ATOM 1598 O ALA B 124 15.655 -4.463 -4.705 1.00 0.00 O ATOM 1599 CB ALA B 124 15.447 -2.255 -7.112 1.00 0.00 C ATOM 0 H ALA B 124 14.622 -0.399 -5.814 1.00 0.00 H new ATOM 0 HA ALA B 124 13.901 -3.131 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.787 -3.209 -7.516 1.00 0.00 H new ATOM 0 HB2 ALA B 124 14.735 -1.802 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA B 124 16.301 -1.590 -6.983 1.00 0.00 H new ATOM 1605 N ALA B 125 16.497 -2.515 -3.977 1.00 0.00 N ATOM 1606 CA ALA B 125 17.370 -3.095 -2.955 1.00 0.00 C ATOM 1607 C ALA B 125 16.620 -3.705 -1.744 1.00 0.00 C ATOM 1608 O ALA B 125 17.193 -4.566 -1.062 1.00 0.00 O ATOM 1609 CB ALA B 125 18.374 -2.023 -2.518 1.00 0.00 C ATOM 0 H ALA B 125 16.549 -1.497 -4.022 1.00 0.00 H new ATOM 0 HA ALA B 125 17.885 -3.946 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA B 125 19.036 -2.434 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.964 -1.705 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.837 -1.167 -2.110 1.00 0.00 H new ATOM 1615 N LEU B 126 15.363 -3.308 -1.478 1.00 0.00 N ATOM 1616 CA LEU B 126 14.553 -3.817 -0.351 1.00 0.00 C ATOM 1617 C LEU B 126 13.340 -4.680 -0.772 1.00 0.00 C ATOM 1618 O LEU B 126 12.968 -5.593 -0.037 1.00 0.00 O ATOM 1619 CB LEU B 126 14.224 -2.661 0.621 1.00 0.00 C ATOM 1620 CG LEU B 126 12.998 -1.793 0.272 1.00 0.00 C ATOM 1621 CD1 LEU B 126 11.757 -2.278 1.028 1.00 0.00 C ATOM 1622 CD2 LEU B 126 13.228 -0.337 0.677 1.00 0.00 C ATOM 0 H LEU B 126 14.873 -2.616 -2.045 1.00 0.00 H new ATOM 0 HA LEU B 126 15.159 -4.538 0.197 1.00 0.00 H new ATOM 0 HB2 LEU B 126 14.070 -3.084 1.614 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.096 -2.010 0.683 1.00 0.00 H new ATOM 0 HG LEU B 126 12.850 -1.873 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU B 126 10.904 -1.652 0.767 1.00 0.00 H new ATOM 0 HD12 LEU B 126 11.545 -3.312 0.755 1.00 0.00 H new ATOM 0 HD13 LEU B 126 11.937 -2.216 2.101 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.349 0.255 0.421 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.402 -0.281 1.752 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.097 0.055 0.148 1.00 0.00 H new ATOM 1634 N LEU B 127 12.761 -4.456 -1.958 1.00 0.00 N ATOM 1635 CA LEU B 127 11.769 -5.348 -2.589 1.00 0.00 C ATOM 1636 C LEU B 127 12.432 -6.611 -3.173 1.00 0.00 C ATOM 1637 O LEU B 127 11.839 -7.691 -3.158 1.00 0.00 O ATOM 1638 CB LEU B 127 11.023 -4.573 -3.701 1.00 0.00 C ATOM 1639 CG LEU B 127 9.790 -3.772 -3.241 1.00 0.00 C ATOM 1640 CD1 LEU B 127 10.030 -2.805 -2.086 1.00 0.00 C ATOM 1641 CD2 LEU B 127 9.261 -2.944 -4.413 1.00 0.00 C ATOM 0 H LEU B 127 12.971 -3.632 -2.522 1.00 0.00 H new ATOM 0 HA LEU B 127 11.062 -5.674 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.725 -3.886 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.708 -5.283 -4.466 1.00 0.00 H new ATOM 0 HG LEU B 127 9.087 -4.526 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU B 127 9.100 -2.293 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.380 -3.359 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.783 -2.072 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU B 127 8.388 -2.375 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU B 127 10.036 -2.258 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU B 127 8.981 -3.608 -5.231 1.00 0.00 H new ATOM 1653 N GLY B 128 13.659 -6.478 -3.686 1.00 0.00 N ATOM 1654 CA GLY B 128 14.492 -7.584 -4.166 1.00 0.00 C ATOM 1655 C GLY B 128 13.884 -8.329 -5.358 1.00 0.00 C ATOM 1656 O GLY B 128 13.414 -7.718 -6.320 1.00 0.00 O ATOM 0 H GLY B 128 14.113 -5.570 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY B 128 15.470 -7.196 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY B 128 14.653 -8.289 -3.350 1.00 0.00 H new ATOM 1660 N LYS B 129 13.871 -9.665 -5.294 1.00 0.00 N ATOM 1661 CA LYS B 129 13.310 -10.539 -6.347 1.00 0.00 C ATOM 1662 C LYS B 129 11.791 -10.396 -6.510 1.00 0.00 C ATOM 1663 O LYS B 129 11.248 -10.791 -7.540 1.00 0.00 O ATOM 1664 CB LYS B 129 13.683 -12.010 -6.072 1.00 0.00 C ATOM 1665 CG LYS B 129 15.200 -12.249 -5.911 1.00 0.00 C ATOM 1666 CD LYS B 129 15.586 -12.633 -4.473 1.00 0.00 C ATOM 1667 CE LYS B 129 17.112 -12.650 -4.318 1.00 0.00 C ATOM 1668 NZ LYS B 129 17.518 -13.323 -3.064 1.00 0.00 N1+ ATOM 0 H LYS B 129 14.253 -10.182 -4.502 1.00 0.00 H new ATOM 0 HA LYS B 129 13.753 -10.215 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS B 129 13.174 -12.341 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS B 129 13.312 -12.628 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS B 129 15.514 -13.040 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS B 129 15.739 -11.347 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS B 129 15.150 -11.923 -3.770 1.00 0.00 H new ATOM 0 HD3 LYS B 129 15.178 -13.614 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS B 129 17.560 -13.162 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS B 129 17.492 -11.628 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 18.555 -13.319 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 17.109 -12.819 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 17.176 -14.305 -3.070 1.00 0.00 H new ATOM 1682 N GLU B 130 11.109 -9.813 -5.519 1.00 0.00 N ATOM 1683 CA GLU B 130 9.661 -9.551 -5.514 1.00 0.00 C ATOM 1684 C GLU B 130 9.297 -8.115 -5.959 1.00 0.00 C ATOM 1685 O GLU B 130 8.146 -7.688 -5.838 1.00 0.00 O ATOM 1686 CB GLU B 130 9.090 -9.957 -4.139 1.00 0.00 C ATOM 1687 CG GLU B 130 7.564 -10.150 -4.036 1.00 0.00 C ATOM 1688 CD GLU B 130 6.970 -10.978 -5.194 1.00 0.00 C ATOM 1689 OE1 GLU B 130 5.876 -10.629 -5.696 1.00 0.00 O ATOM 1690 OE2 GLU B 130 7.592 -11.957 -5.669 1.00 0.00 O1- ATOM 0 H GLU B 130 11.566 -9.497 -4.663 1.00 0.00 H new ATOM 0 HA GLU B 130 9.181 -10.168 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU B 130 9.569 -10.888 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU B 130 9.384 -9.198 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU B 130 7.331 -10.641 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU B 130 7.083 -9.172 -4.014 1.00 0.00 H new ATOM 1697 N PHE B 131 10.261 -7.362 -6.514 1.00 0.00 N ATOM 1698 CA PHE B 131 10.040 -6.077 -7.199 1.00 0.00 C ATOM 1699 C PHE B 131 9.051 -6.203 -8.379 1.00 0.00 C ATOM 1700 O PHE B 131 8.898 -7.277 -8.971 1.00 0.00 O ATOM 1701 CB PHE B 131 11.413 -5.531 -7.634 1.00 0.00 C ATOM 1702 CG PHE B 131 11.426 -4.159 -8.283 1.00 0.00 C ATOM 1703 CD1 PHE B 131 11.589 -3.002 -7.493 1.00 0.00 C ATOM 1704 CD2 PHE B 131 11.341 -4.038 -9.682 1.00 0.00 C ATOM 1705 CE1 PHE B 131 11.671 -1.737 -8.106 1.00 0.00 C ATOM 1706 CE2 PHE B 131 11.399 -2.776 -10.290 1.00 0.00 C ATOM 1707 CZ PHE B 131 11.568 -1.623 -9.502 1.00 0.00 C ATOM 0 H PHE B 131 11.243 -7.638 -6.498 1.00 0.00 H new ATOM 0 HA PHE B 131 9.568 -5.372 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE B 131 12.060 -5.499 -6.757 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.856 -6.242 -8.331 1.00 0.00 H new ATOM 0 HD1 PHE B 131 11.651 -3.086 -6.418 1.00 0.00 H new ATOM 0 HD2 PHE B 131 11.230 -4.923 -10.291 1.00 0.00 H new ATOM 0 HE1 PHE B 131 11.813 -0.853 -7.502 1.00 0.00 H new ATOM 0 HE2 PHE B 131 11.314 -2.689 -11.363 1.00 0.00 H new ATOM 0 HZ PHE B 131 11.618 -0.651 -9.970 1.00 0.00 H new ATOM 1717 N ILE B 132 8.366 -5.102 -8.714 1.00 0.00 N ATOM 1718 CA ILE B 132 7.282 -5.070 -9.718 1.00 0.00 C ATOM 1719 C ILE B 132 7.759 -5.509 -11.119 1.00 0.00 C ATOM 1720 O ILE B 132 8.895 -5.235 -11.523 1.00 0.00 O ATOM 1721 CB ILE B 132 6.601 -3.679 -9.727 1.00 0.00 C ATOM 1722 CG1 ILE B 132 5.136 -3.718 -10.216 1.00 0.00 C ATOM 1723 CG2 ILE B 132 7.368 -2.675 -10.599 1.00 0.00 C ATOM 1724 CD1 ILE B 132 4.181 -4.451 -9.258 1.00 0.00 C ATOM 0 H ILE B 132 8.548 -4.192 -8.291 1.00 0.00 H new ATOM 0 HA ILE B 132 6.533 -5.806 -9.427 1.00 0.00 H new ATOM 0 HB ILE B 132 6.612 -3.360 -8.685 1.00 0.00 H new ATOM 0 HG12 ILE B 132 4.782 -2.697 -10.356 1.00 0.00 H new ATOM 0 HG13 ILE B 132 5.101 -4.204 -11.191 1.00 0.00 H new ATOM 0 HG21 ILE B 132 6.858 -1.712 -10.579 1.00 0.00 H new ATOM 0 HG22 ILE B 132 8.381 -2.558 -10.214 1.00 0.00 H new ATOM 0 HG23 ILE B 132 7.410 -3.042 -11.625 1.00 0.00 H new ATOM 0 HD11 ILE B 132 3.172 -4.437 -9.669 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.509 -5.483 -9.137 1.00 0.00 H new ATOM 0 HD13 ILE B 132 4.185 -3.953 -8.289 1.00 0.00 H new ATOM 1993 N TRP B 156 -5.973 13.128 9.474 1.00 0.00 N ATOM 1994 CA TRP B 156 -5.091 11.949 9.419 1.00 0.00 C ATOM 1995 C TRP B 156 -5.465 10.992 8.280 1.00 0.00 C ATOM 1996 O TRP B 156 -4.589 10.363 7.682 1.00 0.00 O ATOM 1997 CB TRP B 156 -5.134 11.225 10.777 1.00 0.00 C ATOM 1998 CG TRP B 156 -6.450 10.608 11.165 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -7.355 11.167 11.995 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -7.034 9.334 10.735 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -8.462 10.345 12.099 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -8.330 9.213 11.327 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -6.610 8.272 9.900 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -9.172 8.114 11.085 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -7.445 7.165 9.649 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -8.722 7.087 10.237 1.00 0.00 C ATOM 0 HA TRP B 156 -4.077 12.292 9.213 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -4.378 10.440 10.770 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -4.848 11.936 11.552 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -7.233 12.113 12.501 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -9.277 10.552 12.677 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -5.630 8.311 9.448 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -10.149 8.059 11.543 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -7.103 6.371 9.001 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -9.357 6.237 10.036 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.763 10.896 7.975 1.00 0.00 N ATOM 2018 CA LYS B 157 -7.351 10.046 6.939 1.00 0.00 C ATOM 2019 C LYS B 157 -7.048 10.613 5.554 1.00 0.00 C ATOM 2020 O LYS B 157 -6.462 9.922 4.722 1.00 0.00 O ATOM 2021 CB LYS B 157 -8.856 9.937 7.229 1.00 0.00 C ATOM 2022 CG LYS B 157 -9.611 8.910 6.371 1.00 0.00 C ATOM 2023 CD LYS B 157 -11.079 8.779 6.818 1.00 0.00 C ATOM 2024 CE LYS B 157 -11.184 8.035 8.157 1.00 0.00 C ATOM 2025 NZ LYS B 157 -12.527 8.157 8.772 1.00 0.00 N1+ ATOM 0 H LYS B 157 -7.469 11.439 8.472 1.00 0.00 H new ATOM 0 HA LYS B 157 -6.920 9.045 6.951 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.990 9.679 8.279 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -9.311 10.916 7.081 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -9.573 9.210 5.324 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -9.119 7.940 6.443 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -11.523 9.770 6.913 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -11.648 8.246 6.056 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -10.954 6.981 8.002 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -10.436 8.427 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -12.729 7.307 9.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -12.552 8.994 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -13.243 8.256 8.025 1.00 0.00 H new ATOM 2039 N ASP B 158 -7.380 11.884 5.341 1.00 0.00 N ATOM 2040 CA ASP B 158 -7.169 12.581 4.067 1.00 0.00 C ATOM 2041 C ASP B 158 -5.685 12.670 3.673 1.00 0.00 C ATOM 2042 O ASP B 158 -5.336 12.359 2.535 1.00 0.00 O ATOM 2043 CB ASP B 158 -7.765 14.001 4.138 1.00 0.00 C ATOM 2044 CG ASP B 158 -9.298 14.057 4.158 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -9.974 13.011 4.013 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -9.850 15.175 4.233 1.00 0.00 O1- ATOM 0 H ASP B 158 -7.810 12.470 6.057 1.00 0.00 H new ATOM 0 HA ASP B 158 -7.675 11.994 3.301 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -7.386 14.494 5.033 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -7.406 14.573 3.283 1.00 0.00 H new ATOM 2051 N ASP B 159 -4.799 13.069 4.597 1.00 0.00 N ATOM 2052 CA ASP B 159 -3.382 13.291 4.284 1.00 0.00 C ATOM 2053 C ASP B 159 -2.659 11.986 3.912 1.00 0.00 C ATOM 2054 O ASP B 159 -2.001 11.916 2.874 1.00 0.00 O ATOM 2055 CB ASP B 159 -2.696 13.997 5.460 1.00 0.00 C ATOM 2056 CG ASP B 159 -1.318 14.531 5.049 1.00 0.00 C ATOM 2057 OD1 ASP B 159 -0.285 14.018 5.545 1.00 0.00 O ATOM 2058 OD2 ASP B 159 -1.261 15.479 4.232 1.00 0.00 O1- ATOM 0 H ASP B 159 -5.042 13.245 5.572 1.00 0.00 H new ATOM 0 HA ASP B 159 -3.325 13.933 3.405 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -3.320 14.820 5.810 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -2.588 13.303 6.293 1.00 0.00 H new ATOM 2063 N TYR B 160 -2.816 10.935 4.722 1.00 0.00 N ATOM 2064 CA TYR B 160 -2.213 9.620 4.479 1.00 0.00 C ATOM 2065 C TYR B 160 -2.763 8.951 3.209 1.00 0.00 C ATOM 2066 O TYR B 160 -1.991 8.454 2.383 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.431 8.746 5.717 1.00 0.00 C ATOM 2068 CG TYR B 160 -1.773 7.381 5.650 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -0.394 7.250 5.915 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -2.544 6.235 5.359 1.00 0.00 C ATOM 2071 CE1 TYR B 160 0.206 5.981 5.911 1.00 0.00 C ATOM 2072 CE2 TYR B 160 -1.942 4.961 5.361 1.00 0.00 C ATOM 2073 CZ TYR B 160 -0.565 4.829 5.641 1.00 0.00 C ATOM 2074 OH TYR B 160 0.023 3.603 5.662 1.00 0.00 O ATOM 0 H TYR B 160 -3.372 10.973 5.576 1.00 0.00 H new ATOM 0 HA TYR B 160 -1.145 9.749 4.305 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -2.051 9.275 6.591 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.502 8.611 5.867 1.00 0.00 H new ATOM 0 HD1 TYR B 160 0.201 8.127 6.121 1.00 0.00 H new ATOM 0 HD2 TYR B 160 -3.596 6.335 5.135 1.00 0.00 H new ATOM 0 HE1 TYR B 160 1.262 5.885 6.115 1.00 0.00 H new ATOM 0 HE2 TYR B 160 -2.535 4.084 5.148 1.00 0.00 H new ATOM 0 HH TYR B 160 -0.506 2.996 6.221 1.00 0.00 H new ATOM 2084 N LEU B 161 -4.082 8.982 2.996 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.703 8.402 1.806 1.00 0.00 C ATOM 2086 C LEU B 161 -4.327 9.162 0.522 1.00 0.00 C ATOM 2087 O LEU B 161 -4.129 8.529 -0.516 1.00 0.00 O ATOM 2088 CB LEU B 161 -6.221 8.340 2.035 1.00 0.00 C ATOM 2089 CG LEU B 161 -6.995 7.522 0.992 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -6.561 6.055 0.950 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.478 7.545 1.335 1.00 0.00 C ATOM 0 H LEU B 161 -4.746 9.409 3.642 1.00 0.00 H new ATOM 0 HA LEU B 161 -4.324 7.392 1.653 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.409 7.916 3.021 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.615 9.356 2.045 1.00 0.00 H new ATOM 0 HG LEU B 161 -6.789 7.976 0.023 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -7.142 5.525 0.195 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -5.502 5.996 0.701 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -6.730 5.597 1.925 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -9.031 6.965 0.596 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -8.629 7.112 2.324 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -8.837 8.574 1.331 1.00 0.00 H new ATOM 2103 N SER B 162 -4.148 10.488 0.591 1.00 0.00 N ATOM 2104 CA SER B 162 -3.619 11.291 -0.522 1.00 0.00 C ATOM 2105 C SER B 162 -2.156 10.932 -0.831 1.00 0.00 C ATOM 2106 O SER B 162 -1.826 10.711 -1.995 1.00 0.00 O ATOM 2107 CB SER B 162 -3.759 12.789 -0.223 1.00 0.00 C ATOM 2108 OG SER B 162 -3.382 13.557 -1.354 1.00 0.00 O ATOM 0 H SER B 162 -4.366 11.037 1.423 1.00 0.00 H new ATOM 0 HA SER B 162 -4.210 11.058 -1.408 1.00 0.00 H new ATOM 0 HB2 SER B 162 -4.789 13.017 0.052 1.00 0.00 H new ATOM 0 HB3 SER B 162 -3.135 13.056 0.630 1.00 0.00 H new ATOM 0 HG SER B 162 -3.200 14.479 -1.077 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.281 10.777 0.180 1.00 0.00 N ATOM 2115 CA ARG B 163 0.106 10.297 -0.019 1.00 0.00 C ATOM 2116 C ARG B 163 0.125 8.943 -0.727 1.00 0.00 C ATOM 2117 O ARG B 163 0.822 8.793 -1.725 1.00 0.00 O ATOM 2118 CB ARG B 163 0.868 10.195 1.318 1.00 0.00 C ATOM 2119 CG ARG B 163 1.223 11.553 1.931 1.00 0.00 C ATOM 2120 CD ARG B 163 1.787 11.361 3.345 1.00 0.00 C ATOM 2121 NE ARG B 163 1.752 12.619 4.109 1.00 0.00 N ATOM 2122 CZ ARG B 163 2.698 13.530 4.236 1.00 0.00 C ATOM 2123 NH1 ARG B 163 3.883 13.420 3.708 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 2.424 14.599 4.920 1.00 0.00 N ATOM 0 H ARG B 163 -1.510 10.979 1.153 1.00 0.00 H new ATOM 0 HA ARG B 163 0.609 11.032 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.262 9.633 2.029 1.00 0.00 H new ATOM 0 HB3 ARG B 163 1.785 9.627 1.161 1.00 0.00 H new ATOM 0 HG2 ARG B 163 1.955 12.063 1.305 1.00 0.00 H new ATOM 0 HG3 ARG B 163 0.337 12.187 1.967 1.00 0.00 H new ATOM 0 HD2 ARG B 163 1.210 10.599 3.869 1.00 0.00 H new ATOM 0 HD3 ARG B 163 2.813 10.998 3.284 1.00 0.00 H new ATOM 0 HE ARG B 163 0.882 12.812 4.605 1.00 0.00 H new ATOM 0 HH11 ARG B 163 4.122 12.594 3.160 1.00 0.00 H new ATOM 0 HH12 ARG B 163 4.572 14.160 3.843 1.00 0.00 H new ATOM 0 HH21 ARG B 163 1.501 14.714 5.339 1.00 0.00 H new ATOM 0 HH22 ARG B 163 3.132 15.324 5.039 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.671 7.977 -0.273 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.729 6.648 -0.889 1.00 0.00 C ATOM 2140 C LEU B 164 -1.380 6.658 -2.288 1.00 0.00 C ATOM 2141 O LEU B 164 -1.060 5.803 -3.111 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.404 5.657 0.071 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.411 4.972 1.026 1.00 0.00 C ATOM 2144 CD1 LEU B 164 0.276 5.913 2.024 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -1.143 3.893 1.814 1.00 0.00 C ATOM 0 H LEU B 164 -1.292 8.090 0.528 1.00 0.00 H new ATOM 0 HA LEU B 164 0.294 6.314 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -2.158 6.183 0.656 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -1.925 4.896 -0.509 1.00 0.00 H new ATOM 0 HG LEU B 164 0.376 4.565 0.391 1.00 0.00 H new ATOM 0 HD11 LEU B 164 0.957 5.341 2.654 1.00 0.00 H new ATOM 0 HD12 LEU B 164 0.837 6.673 1.480 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.477 6.395 2.647 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -0.446 3.403 2.493 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -1.951 4.347 2.388 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -1.557 3.157 1.125 1.00 0.00 H new ATOM 2157 N SER B 165 -2.225 7.643 -2.611 1.00 0.00 N ATOM 2158 CA SER B 165 -2.675 7.891 -3.992 1.00 0.00 C ATOM 2159 C SER B 165 -1.540 8.446 -4.875 1.00 0.00 C ATOM 2160 O SER B 165 -1.360 7.995 -6.009 1.00 0.00 O ATOM 2161 CB SER B 165 -3.899 8.817 -3.974 1.00 0.00 C ATOM 2162 OG SER B 165 -4.363 9.049 -5.293 1.00 0.00 O ATOM 0 H SER B 165 -2.617 8.291 -1.928 1.00 0.00 H new ATOM 0 HA SER B 165 -2.967 6.942 -4.441 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.693 8.369 -3.376 1.00 0.00 H new ATOM 0 HB3 SER B 165 -3.639 9.764 -3.501 1.00 0.00 H new ATOM 0 HG SER B 165 -5.144 9.640 -5.266 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.706 9.354 -4.343 1.00 0.00 N ATOM 2169 CA ARG B 166 0.408 10.018 -5.050 1.00 0.00 C ATOM 2170 C ARG B 166 1.644 9.140 -5.273 1.00 0.00 C ATOM 2171 O ARG B 166 2.235 9.205 -6.350 1.00 0.00 O ATOM 2172 CB ARG B 166 0.801 11.287 -4.271 1.00 0.00 C ATOM 2173 CG ARG B 166 -0.290 12.361 -4.337 1.00 0.00 C ATOM 2174 CD ARG B 166 -0.039 13.472 -3.311 1.00 0.00 C ATOM 2175 NE ARG B 166 -1.185 14.396 -3.231 1.00 0.00 N ATOM 2176 CZ ARG B 166 -1.513 15.324 -4.107 1.00 0.00 C ATOM 2177 NH1 ARG B 166 -0.773 15.596 -5.146 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 -2.609 16.007 -3.953 1.00 0.00 N ATOM 0 H ARG B 166 -0.790 9.659 -3.373 1.00 0.00 H new ATOM 0 HA ARG B 166 0.042 10.254 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG B 166 0.993 11.028 -3.230 1.00 0.00 H new ATOM 0 HB3 ARG B 166 1.730 11.688 -4.676 1.00 0.00 H new ATOM 0 HG2 ARG B 166 -0.322 12.789 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG B 166 -1.263 11.906 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG B 166 0.144 13.031 -2.331 1.00 0.00 H new ATOM 0 HD3 ARG B 166 0.859 14.026 -3.584 1.00 0.00 H new ATOM 0 HE ARG B 166 -1.787 14.308 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG B 166 0.094 15.083 -5.303 1.00 0.00 H new ATOM 0 HH12 ARG B 166 -1.062 16.322 -5.802 1.00 0.00 H new ATOM 0 HH21 ARG B 166 -3.216 15.825 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG B 166 -2.862 16.725 -4.632 1.00 0.00 H new ATOM 2192 N LEU B 167 2.046 8.346 -4.280 1.00 0.00 N ATOM 2193 CA LEU B 167 3.234 7.478 -4.298 1.00 0.00 C ATOM 2194 C LEU B 167 3.123 6.321 -5.316 1.00 0.00 C ATOM 2195 O LEU B 167 2.026 5.879 -5.672 1.00 0.00 O ATOM 2196 CB LEU B 167 3.487 6.940 -2.874 1.00 0.00 C ATOM 2197 CG LEU B 167 4.487 7.744 -2.021 1.00 0.00 C ATOM 2198 CD1 LEU B 167 4.165 9.228 -1.858 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.564 7.121 -0.624 1.00 0.00 C ATOM 0 H LEU B 167 1.533 8.284 -3.401 1.00 0.00 H new ATOM 0 HA LEU B 167 4.082 8.080 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.535 6.904 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.848 5.914 -2.952 1.00 0.00 H new ATOM 0 HG LEU B 167 5.431 7.694 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU B 167 4.930 9.701 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU B 167 4.143 9.705 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU B 167 3.193 9.339 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.270 7.684 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.579 7.148 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.898 6.087 -0.705 1.00 0.00 H new ATOM 2211 N SER B 168 4.273 5.795 -5.756 1.00 0.00 N ATOM 2212 CA SER B 168 4.380 4.646 -6.671 1.00 0.00 C ATOM 2213 C SER B 168 3.978 3.321 -6.009 1.00 0.00 C ATOM 2214 O SER B 168 4.125 3.166 -4.796 1.00 0.00 O ATOM 2215 CB SER B 168 5.823 4.574 -7.191 1.00 0.00 C ATOM 2216 OG SER B 168 6.013 3.441 -8.021 1.00 0.00 O ATOM 0 H SER B 168 5.182 6.166 -5.479 1.00 0.00 H new ATOM 0 HA SER B 168 3.682 4.796 -7.495 1.00 0.00 H new ATOM 0 HB2 SER B 168 6.057 5.480 -7.749 1.00 0.00 H new ATOM 0 HB3 SER B 168 6.514 4.531 -6.349 1.00 0.00 H new ATOM 0 HG SER B 168 6.940 3.421 -8.340 1.00 0.00 H new ATOM 2222 N LYS B 169 3.557 2.315 -6.793 1.00 0.00 N ATOM 2223 CA LYS B 169 3.305 0.930 -6.338 1.00 0.00 C ATOM 2224 C LYS B 169 4.505 0.337 -5.580 1.00 0.00 C ATOM 2225 O LYS B 169 4.330 -0.332 -4.562 1.00 0.00 O ATOM 2226 CB LYS B 169 2.920 0.097 -7.583 1.00 0.00 C ATOM 2227 CG LYS B 169 2.815 -1.428 -7.400 1.00 0.00 C ATOM 2228 CD LYS B 169 1.827 -1.876 -6.310 1.00 0.00 C ATOM 2229 CE LYS B 169 1.791 -3.408 -6.196 1.00 0.00 C ATOM 2230 NZ LYS B 169 0.775 -4.026 -7.091 1.00 0.00 N1+ ATOM 0 H LYS B 169 3.376 2.442 -7.789 1.00 0.00 H new ATOM 0 HA LYS B 169 2.488 0.916 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.960 0.461 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS B 169 3.655 0.295 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS B 169 2.516 -1.875 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS B 169 3.803 -1.821 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS B 169 2.116 -1.443 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS B 169 0.830 -1.501 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS B 169 2.775 -3.810 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS B 169 1.578 -3.687 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 1.016 -5.025 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.163 -3.963 -6.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.762 -3.522 -8.001 1.00 0.00 H new ATOM 2244 N ASN B 170 5.726 0.645 -6.023 1.00 0.00 N ATOM 2245 CA ASN B 170 6.965 0.251 -5.342 1.00 0.00 C ATOM 2246 C ASN B 170 7.134 0.942 -3.969 1.00 0.00 C ATOM 2247 O ASN B 170 7.529 0.295 -2.999 1.00 0.00 O ATOM 2248 CB ASN B 170 8.147 0.544 -6.276 1.00 0.00 C ATOM 2249 CG ASN B 170 8.035 -0.178 -7.605 1.00 0.00 C ATOM 2250 OD1 ASN B 170 8.576 -1.369 -7.707 1.00 0.00 O flip ATOM 2251 ND2 ASN B 170 7.453 0.306 -8.564 1.00 0.00 N flip ATOM 0 H ASN B 170 5.886 1.182 -6.875 1.00 0.00 H new ATOM 0 HA ASN B 170 6.923 -0.816 -5.125 1.00 0.00 H new ATOM 0 HB2 ASN B 170 8.207 1.618 -6.454 1.00 0.00 H new ATOM 0 HB3 ASN B 170 9.075 0.250 -5.785 1.00 0.00 H new ATOM 0 HD21 ASN B 170 7.031 1.231 -8.490 1.00 0.00 H new ATOM 0 HD22 ASN B 170 7.389 -0.215 -9.438 1.00 0.00 H new ATOM 2258 N GLN B 171 6.793 2.228 -3.863 1.00 0.00 N ATOM 2259 CA GLN B 171 6.792 2.977 -2.598 1.00 0.00 C ATOM 2260 C GLN B 171 5.700 2.489 -1.631 1.00 0.00 C ATOM 2261 O GLN B 171 5.956 2.354 -0.435 1.00 0.00 O ATOM 2262 CB GLN B 171 6.650 4.478 -2.866 1.00 0.00 C ATOM 2263 CG GLN B 171 7.892 5.105 -3.520 1.00 0.00 C ATOM 2264 CD GLN B 171 7.658 6.570 -3.859 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.825 6.909 -4.688 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.355 7.498 -3.240 1.00 0.00 N ATOM 0 H GLN B 171 6.505 2.790 -4.664 1.00 0.00 H new ATOM 0 HA GLN B 171 7.750 2.794 -2.112 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.787 4.644 -3.511 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.448 4.989 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.744 5.017 -2.846 1.00 0.00 H new ATOM 0 HG3 GLN B 171 8.145 4.556 -4.427 1.00 0.00 H new ATOM 0 HE21 GLN B 171 9.054 7.233 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN B 171 8.197 8.483 -3.454 1.00 0.00 H new ATOM 2275 N LEU B 172 4.506 2.149 -2.130 1.00 0.00 N ATOM 2276 CA LEU B 172 3.402 1.546 -1.361 1.00 0.00 C ATOM 2277 C LEU B 172 3.795 0.193 -0.751 1.00 0.00 C ATOM 2278 O LEU B 172 3.485 -0.052 0.415 1.00 0.00 O ATOM 2279 CB LEU B 172 2.161 1.410 -2.262 1.00 0.00 C ATOM 2280 CG LEU B 172 1.166 2.571 -2.147 1.00 0.00 C ATOM 2281 CD1 LEU B 172 1.801 3.936 -2.390 1.00 0.00 C ATOM 2282 CD2 LEU B 172 0.039 2.385 -3.162 1.00 0.00 C ATOM 0 H LEU B 172 4.270 2.289 -3.112 1.00 0.00 H new ATOM 0 HA LEU B 172 3.168 2.206 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU B 172 2.487 1.328 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU B 172 1.647 0.481 -2.015 1.00 0.00 H new ATOM 0 HG LEU B 172 0.793 2.553 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU B 172 1.042 4.713 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU B 172 2.590 4.106 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU B 172 2.226 3.966 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -0.667 3.212 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU B 172 0.456 2.365 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -0.477 1.446 -2.964 1.00 0.00 H new ATOM 2294 N MET B 173 4.520 -0.655 -1.490 1.00 0.00 N ATOM 2295 CA MET B 173 5.126 -1.861 -0.919 1.00 0.00 C ATOM 2296 C MET B 173 6.154 -1.510 0.163 1.00 0.00 C ATOM 2297 O MET B 173 6.106 -2.083 1.250 1.00 0.00 O ATOM 2298 CB MET B 173 5.754 -2.734 -2.019 1.00 0.00 C ATOM 2299 CG MET B 173 4.689 -3.515 -2.790 1.00 0.00 C ATOM 2300 SD MET B 173 5.345 -4.778 -3.911 1.00 0.00 S ATOM 2301 CE MET B 173 5.752 -3.782 -5.359 1.00 0.00 C ATOM 0 H MET B 173 4.701 -0.527 -2.486 1.00 0.00 H new ATOM 0 HA MET B 173 4.333 -2.438 -0.443 1.00 0.00 H new ATOM 0 HB2 MET B 173 6.316 -2.104 -2.709 1.00 0.00 H new ATOM 0 HB3 MET B 173 6.464 -3.429 -1.572 1.00 0.00 H new ATOM 0 HG2 MET B 173 4.020 -3.994 -2.075 1.00 0.00 H new ATOM 0 HG3 MET B 173 4.088 -2.812 -3.367 1.00 0.00 H new ATOM 0 HE1 MET B 173 5.072 -4.030 -6.174 1.00 0.00 H new ATOM 0 HE2 MET B 173 5.652 -2.725 -5.113 1.00 0.00 H new ATOM 0 HE3 MET B 173 6.777 -3.988 -5.666 1.00 0.00 H new ATOM 2311 N ALA B 174 7.062 -0.561 -0.091 1.00 0.00 N ATOM 2312 CA ALA B 174 8.159 -0.248 0.827 1.00 0.00 C ATOM 2313 C ALA B 174 7.719 0.423 2.143 1.00 0.00 C ATOM 2314 O ALA B 174 8.219 0.046 3.207 1.00 0.00 O ATOM 2315 CB ALA B 174 9.169 0.615 0.073 1.00 0.00 C ATOM 0 H ALA B 174 7.056 0.009 -0.937 1.00 0.00 H new ATOM 0 HA ALA B 174 8.606 -1.189 1.146 1.00 0.00 H new ATOM 0 HB1 ALA B 174 9.999 0.864 0.734 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.544 0.065 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.685 1.532 -0.263 1.00 0.00 H new ATOM 2321 N LEU B 175 6.772 1.373 2.108 1.00 0.00 N ATOM 2322 CA LEU B 175 6.265 2.039 3.322 1.00 0.00 C ATOM 2323 C LEU B 175 5.525 1.049 4.231 1.00 0.00 C ATOM 2324 O LEU B 175 5.716 1.067 5.450 1.00 0.00 O ATOM 2325 CB LEU B 175 5.436 3.296 2.959 1.00 0.00 C ATOM 2326 CG LEU B 175 3.988 3.078 2.464 1.00 0.00 C ATOM 2327 CD1 LEU B 175 2.970 3.180 3.602 1.00 0.00 C ATOM 2328 CD2 LEU B 175 3.597 4.138 1.431 1.00 0.00 C ATOM 0 H LEU B 175 6.338 1.701 1.245 1.00 0.00 H new ATOM 0 HA LEU B 175 7.112 2.398 3.907 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.398 3.939 3.838 1.00 0.00 H new ATOM 0 HB3 LEU B 175 5.976 3.844 2.187 1.00 0.00 H new ATOM 0 HG LEU B 175 3.970 2.078 2.032 1.00 0.00 H new ATOM 0 HD11 LEU B 175 1.966 3.020 3.208 1.00 0.00 H new ATOM 0 HD12 LEU B 175 3.189 2.423 4.355 1.00 0.00 H new ATOM 0 HD13 LEU B 175 3.029 4.170 4.055 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.574 3.962 1.099 1.00 0.00 H new ATOM 0 HD22 LEU B 175 3.667 5.128 1.881 1.00 0.00 H new ATOM 0 HD23 LEU B 175 4.271 4.079 0.576 1.00 0.00 H new ATOM 2340 N ALA B 176 4.766 0.125 3.630 1.00 0.00 N ATOM 2341 CA ALA B 176 4.114 -0.972 4.329 1.00 0.00 C ATOM 2342 C ALA B 176 5.138 -1.942 4.950 1.00 0.00 C ATOM 2343 O ALA B 176 4.999 -2.317 6.114 1.00 0.00 O ATOM 2344 CB ALA B 176 3.171 -1.666 3.342 1.00 0.00 C ATOM 0 H ALA B 176 4.589 0.125 2.625 1.00 0.00 H new ATOM 0 HA ALA B 176 3.535 -0.589 5.170 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.668 -2.494 3.841 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.428 -0.952 2.985 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.745 -2.046 2.497 1.00 0.00 H new ATOM 2350 N LEU B 177 6.200 -2.303 4.216 1.00 0.00 N ATOM 2351 CA LEU B 177 7.274 -3.188 4.694 1.00 0.00 C ATOM 2352 C LEU B 177 7.978 -2.593 5.928 1.00 0.00 C ATOM 2353 O LEU B 177 8.134 -3.274 6.945 1.00 0.00 O ATOM 2354 CB LEU B 177 8.256 -3.447 3.525 1.00 0.00 C ATOM 2355 CG LEU B 177 9.022 -4.787 3.513 1.00 0.00 C ATOM 2356 CD1 LEU B 177 9.989 -4.952 4.684 1.00 0.00 C ATOM 2357 CD2 LEU B 177 8.071 -5.982 3.474 1.00 0.00 C ATOM 0 H LEU B 177 6.340 -1.983 3.258 1.00 0.00 H new ATOM 0 HA LEU B 177 6.854 -4.141 5.017 1.00 0.00 H new ATOM 0 HB2 LEU B 177 7.695 -3.373 2.593 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.990 -2.641 3.519 1.00 0.00 H new ATOM 0 HG LEU B 177 9.615 -4.760 2.599 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.491 -5.917 4.608 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.731 -4.154 4.658 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.436 -4.903 5.622 1.00 0.00 H new ATOM 0 HD21 LEU B 177 8.648 -6.906 3.467 1.00 0.00 H new ATOM 0 HD22 LEU B 177 7.427 -5.963 4.353 1.00 0.00 H new ATOM 0 HD23 LEU B 177 7.458 -5.930 2.574 1.00 0.00 H new ATOM 2369 N LYS B 178 8.333 -1.302 5.893 1.00 0.00 N ATOM 2370 CA LYS B 178 8.967 -0.599 7.026 1.00 0.00 C ATOM 2371 C LYS B 178 8.067 -0.541 8.266 1.00 0.00 C ATOM 2372 O LYS B 178 8.524 -0.905 9.350 1.00 0.00 O ATOM 2373 CB LYS B 178 9.428 0.808 6.602 1.00 0.00 C ATOM 2374 CG LYS B 178 10.660 0.778 5.689 1.00 0.00 C ATOM 2375 CD LYS B 178 11.160 2.200 5.395 1.00 0.00 C ATOM 2376 CE LYS B 178 12.385 2.215 4.474 1.00 0.00 C ATOM 2377 NZ LYS B 178 13.605 1.697 5.148 1.00 0.00 N1+ ATOM 0 H LYS B 178 8.190 -0.709 5.076 1.00 0.00 H new ATOM 0 HA LYS B 178 9.844 -1.180 7.312 1.00 0.00 H new ATOM 0 HB2 LYS B 178 8.611 1.313 6.087 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.655 1.395 7.492 1.00 0.00 H new ATOM 0 HG2 LYS B 178 11.454 0.200 6.162 1.00 0.00 H new ATOM 0 HG3 LYS B 178 10.413 0.275 4.754 1.00 0.00 H new ATOM 0 HD2 LYS B 178 10.357 2.776 4.935 1.00 0.00 H new ATOM 0 HD3 LYS B 178 11.410 2.695 6.334 1.00 0.00 H new ATOM 0 HE2 LYS B 178 12.179 1.613 3.589 1.00 0.00 H new ATOM 0 HE3 LYS B 178 12.567 3.234 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 14.406 1.727 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 13.820 2.286 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 13.443 0.716 5.452 1.00 0.00 H new ATOM 2391 N LEU B 179 6.790 -0.160 8.137 1.00 0.00 N ATOM 2392 CA LEU B 179 5.873 -0.119 9.288 1.00 0.00 C ATOM 2393 C LEU B 179 5.485 -1.516 9.816 1.00 0.00 C ATOM 2394 O LEU B 179 5.147 -1.644 11.000 1.00 0.00 O ATOM 2395 CB LEU B 179 4.671 0.808 9.005 1.00 0.00 C ATOM 2396 CG LEU B 179 3.629 0.348 7.968 1.00 0.00 C ATOM 2397 CD1 LEU B 179 2.591 -0.635 8.515 1.00 0.00 C ATOM 2398 CD2 LEU B 179 2.861 1.558 7.424 1.00 0.00 C ATOM 0 H LEU B 179 6.368 0.123 7.253 1.00 0.00 H new ATOM 0 HA LEU B 179 6.417 0.326 10.121 1.00 0.00 H new ATOM 0 HB2 LEU B 179 4.151 0.977 9.948 1.00 0.00 H new ATOM 0 HB3 LEU B 179 5.062 1.772 8.680 1.00 0.00 H new ATOM 0 HG LEU B 179 4.204 -0.162 7.195 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.895 -0.908 7.722 1.00 0.00 H new ATOM 0 HD12 LEU B 179 3.095 -1.530 8.881 1.00 0.00 H new ATOM 0 HD13 LEU B 179 2.043 -0.168 9.333 1.00 0.00 H new ATOM 0 HD21 LEU B 179 2.126 1.223 6.691 1.00 0.00 H new ATOM 0 HD22 LEU B 179 2.351 2.064 8.244 1.00 0.00 H new ATOM 0 HD23 LEU B 179 3.558 2.248 6.949 1.00 0.00 H new ATOM 2410 N LYS B 180 5.576 -2.566 8.989 1.00 0.00 N ATOM 2411 CA LYS B 180 5.409 -3.977 9.394 1.00 0.00 C ATOM 2412 C LYS B 180 6.618 -4.501 10.182 1.00 0.00 C ATOM 2413 O LYS B 180 6.452 -5.199 11.179 1.00 0.00 O ATOM 2414 CB LYS B 180 5.149 -4.836 8.134 1.00 0.00 C ATOM 2415 CG LYS B 180 4.899 -6.334 8.400 1.00 0.00 C ATOM 2416 CD LYS B 180 3.599 -6.605 9.166 1.00 0.00 C ATOM 2417 CE LYS B 180 3.387 -8.118 9.281 1.00 0.00 C ATOM 2418 NZ LYS B 180 2.137 -8.439 10.016 1.00 0.00 N1+ ATOM 0 H LYS B 180 5.773 -2.460 7.994 1.00 0.00 H new ATOM 0 HA LYS B 180 4.554 -4.045 10.066 1.00 0.00 H new ATOM 0 HB2 LYS B 180 4.286 -4.428 7.608 1.00 0.00 H new ATOM 0 HB3 LYS B 180 6.005 -4.740 7.466 1.00 0.00 H new ATOM 0 HG2 LYS B 180 4.869 -6.865 7.448 1.00 0.00 H new ATOM 0 HG3 LYS B 180 5.737 -6.740 8.966 1.00 0.00 H new ATOM 0 HD2 LYS B 180 3.647 -6.156 10.158 1.00 0.00 H new ATOM 0 HD3 LYS B 180 2.756 -6.146 8.649 1.00 0.00 H new ATOM 0 HE2 LYS B 180 3.347 -8.557 8.284 1.00 0.00 H new ATOM 0 HE3 LYS B 180 4.237 -8.568 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 2.025 -9.471 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 2.186 -8.040 10.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 1.324 -8.031 9.513 1.00 0.00 H new ATOM 2432 N GLN B 181 7.831 -4.140 9.763 1.00 0.00 N ATOM 2433 CA GLN B 181 9.079 -4.638 10.351 1.00 0.00 C ATOM 2434 C GLN B 181 9.330 -4.116 11.779 1.00 0.00 C ATOM 2435 O GLN B 181 9.952 -4.808 12.584 1.00 0.00 O ATOM 2436 CB GLN B 181 10.237 -4.287 9.394 1.00 0.00 C ATOM 2437 CG GLN B 181 11.566 -4.960 9.782 1.00 0.00 C ATOM 2438 CD GLN B 181 12.534 -5.088 8.601 1.00 0.00 C ATOM 2439 OE1 GLN B 181 13.003 -6.167 8.258 1.00 0.00 O ATOM 2440 NE2 GLN B 181 12.837 -4.011 7.908 1.00 0.00 N ATOM 0 H GLN B 181 7.979 -3.485 8.995 1.00 0.00 H new ATOM 0 HA GLN B 181 9.004 -5.720 10.464 1.00 0.00 H new ATOM 0 HB2 GLN B 181 9.967 -4.587 8.381 1.00 0.00 H new ATOM 0 HB3 GLN B 181 10.374 -3.206 9.381 1.00 0.00 H new ATOM 0 HG2 GLN B 181 12.042 -4.383 10.575 1.00 0.00 H new ATOM 0 HG3 GLN B 181 11.361 -5.951 10.187 1.00 0.00 H new ATOM 0 HE21 GLN B 181 12.455 -3.105 8.180 1.00 0.00 H new ATOM 0 HE22 GLN B 181 13.454 -4.082 7.099 1.00 0.00 H new ATOM 2449 N GLN B 182 8.818 -2.928 12.112 1.00 0.00 N ATOM 2450 CA GLN B 182 8.889 -2.358 13.464 1.00 0.00 C ATOM 2451 C GLN B 182 7.739 -2.797 14.391 1.00 0.00 C ATOM 2452 O GLN B 182 7.975 -2.999 15.584 1.00 0.00 O ATOM 2453 CB GLN B 182 9.028 -0.826 13.359 1.00 0.00 C ATOM 2454 CG GLN B 182 7.837 -0.091 12.714 1.00 0.00 C ATOM 2455 CD GLN B 182 6.723 0.297 13.689 1.00 0.00 C ATOM 2456 OE1 GLN B 182 6.938 0.707 14.823 1.00 0.00 O ATOM 2457 NE2 GLN B 182 5.476 0.190 13.289 1.00 0.00 N ATOM 0 H GLN B 182 8.336 -2.326 11.444 1.00 0.00 H new ATOM 0 HA GLN B 182 9.776 -2.762 13.951 1.00 0.00 H new ATOM 0 HB2 GLN B 182 9.181 -0.424 14.360 1.00 0.00 H new ATOM 0 HB3 GLN B 182 9.926 -0.599 12.784 1.00 0.00 H new ATOM 0 HG2 GLN B 182 8.205 0.811 12.226 1.00 0.00 H new ATOM 0 HG3 GLN B 182 7.415 -0.725 11.934 1.00 0.00 H new ATOM 0 HE21 GLN B 182 5.269 -0.149 12.349 1.00 0.00 H new ATOM 0 HE22 GLN B 182 4.715 0.446 13.918 1.00 0.00 H new