USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=22 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= 0.0381 USER MOD Set 1.2: B 170 ASN :FLIP amide:sc= -0.814 F(o=-2!,f=-0.78) USER MOD Set 2.1: A 81 GLN : amide:sc= 0.619 K(o=1.3,f=-1.4) USER MOD Set 2.2: B 157 LYS NZ :NH3+ 150:sc= 0.698 (180deg=0) USER MOD Set 3.1: A 57 LYS NZ :NH3+ 158:sc= 1.05 (180deg=0) USER MOD Set 3.2: B 181 GLN : amide:sc= 0.905 K(o=2,f=-2.1) 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+ 150:sc= 1.07 (180deg=0.335) USER MOD Single : A 60 TYR OH : rot 100:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -27:sc= 0.153 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -139:sc= 1.21 (180deg=-0.0638) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.628 F(o=-1.8!,f=-0.63) USER MOD Single : A 71 GLN : amide:sc= 1.39 K(o=1.4,f=-4.5!) USER MOD Single : A 73 MET CE :methyl -114:sc= -0.0477 (180deg=-0.171) USER MOD Single : A 78 LYS NZ :NH3+ -146:sc= 1.2 (180deg=0.234) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.571 K(o=-0.57,f=-1.3) USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 119 GLN : amide:sc= 1.06 K(o=1.1,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 180:sc= 0 USER MOD Single : B 165 SER OG : rot 130:sc= 0.0642 USER MOD Single : B 169 LYS NZ :NH3+ 146:sc= 2.07 (180deg=0.677) USER MOD Single : B 171 GLN : amide:sc= 1.97 K(o=2,f=-4.4!) USER MOD Single : B 173 MET CE :methyl -172:sc= -0.365 (180deg=-0.497) USER MOD Single : B 178 LYS NZ :NH3+ -160:sc= 1.3 (180deg=1) USER MOD Single : B 180 LYS NZ :NH3+ 141:sc= 1.42 (180deg=0.445) USER MOD Single : B 182 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -7.048 -7.886 7.864 1.00 0.00 N ATOM 133 CA GLU A 11 -7.796 -6.991 6.954 1.00 0.00 C ATOM 134 C GLU A 11 -7.743 -7.461 5.486 1.00 0.00 C ATOM 135 O GLU A 11 -8.666 -7.208 4.709 1.00 0.00 O ATOM 136 CB GLU A 11 -7.239 -5.558 7.047 1.00 0.00 C ATOM 137 CG GLU A 11 -7.148 -4.972 8.466 1.00 0.00 C ATOM 138 CD GLU A 11 -8.456 -5.075 9.280 1.00 0.00 C ATOM 139 OE1 GLU A 11 -8.380 -5.267 10.518 1.00 0.00 O ATOM 140 OE2 GLU A 11 -9.565 -4.951 8.706 1.00 0.00 O1- ATOM 0 HA GLU A 11 -8.838 -7.015 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.244 -5.545 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.867 -4.903 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.354 -5.486 9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.859 -3.923 8.396 1.00 0.00 H new ATOM 147 N LEU A 12 -6.682 -8.184 5.114 1.00 0.00 N ATOM 148 CA LEU A 12 -6.455 -8.722 3.771 1.00 0.00 C ATOM 149 C LEU A 12 -7.582 -9.675 3.335 1.00 0.00 C ATOM 150 O LEU A 12 -7.960 -9.681 2.164 1.00 0.00 O ATOM 151 CB LEU A 12 -5.097 -9.458 3.724 1.00 0.00 C ATOM 152 CG LEU A 12 -3.802 -8.627 3.828 1.00 0.00 C ATOM 153 CD1 LEU A 12 -3.706 -7.594 2.707 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.591 -7.909 5.157 1.00 0.00 C ATOM 0 H LEU A 12 -5.931 -8.418 5.764 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.445 -7.883 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.088 -10.187 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.056 -10.018 2.790 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.015 -9.376 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.781 -7.027 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.712 -8.102 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.556 -6.914 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.653 -7.354 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.416 -7.218 5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.553 -8.641 5.964 1.00 0.00 H new ATOM 166 N SER A 13 -8.164 -10.434 4.275 1.00 0.00 N ATOM 167 CA SER A 13 -9.274 -11.361 4.018 1.00 0.00 C ATOM 168 C SER A 13 -10.523 -10.651 3.464 1.00 0.00 C ATOM 169 O SER A 13 -11.197 -11.178 2.575 1.00 0.00 O ATOM 170 CB SER A 13 -9.605 -12.105 5.320 1.00 0.00 C ATOM 171 OG SER A 13 -10.631 -13.062 5.128 1.00 0.00 O ATOM 0 H SER A 13 -7.871 -10.420 5.252 1.00 0.00 H new ATOM 0 HA SER A 13 -8.960 -12.066 3.249 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.709 -12.601 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.913 -11.388 6.081 1.00 0.00 H new ATOM 0 HG SER A 13 -10.816 -13.518 5.976 1.00 0.00 H new ATOM 177 N GLU A 14 -10.807 -9.427 3.926 1.00 0.00 N ATOM 178 CA GLU A 14 -11.898 -8.596 3.402 1.00 0.00 C ATOM 179 C GLU A 14 -11.515 -7.932 2.067 1.00 0.00 C ATOM 180 O GLU A 14 -12.272 -8.026 1.097 1.00 0.00 O ATOM 181 CB GLU A 14 -12.320 -7.571 4.468 1.00 0.00 C ATOM 182 CG GLU A 14 -13.513 -6.715 4.016 1.00 0.00 C ATOM 183 CD GLU A 14 -13.994 -5.730 5.104 1.00 0.00 C ATOM 184 OE1 GLU A 14 -13.988 -6.072 6.313 1.00 0.00 O ATOM 185 OE2 GLU A 14 -14.378 -4.586 4.764 1.00 0.00 O1- ATOM 0 H GLU A 14 -10.282 -8.982 4.679 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.756 -9.232 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.579 -8.094 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.476 -6.921 4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.234 -6.155 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.338 -7.370 3.736 1.00 0.00 H new ATOM 192 N ILE A 15 -10.333 -7.310 1.987 1.00 0.00 N ATOM 193 CA ILE A 15 -9.853 -6.571 0.800 1.00 0.00 C ATOM 194 C ILE A 15 -9.697 -7.473 -0.443 1.00 0.00 C ATOM 195 O ILE A 15 -9.948 -7.025 -1.564 1.00 0.00 O ATOM 196 CB ILE A 15 -8.548 -5.811 1.156 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.769 -4.722 2.240 1.00 0.00 C ATOM 198 CG2 ILE A 15 -7.888 -5.165 -0.073 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.849 -3.686 1.921 1.00 0.00 C ATOM 0 H ILE A 15 -9.665 -7.303 2.758 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.612 -5.840 0.521 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.879 -6.574 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.028 -5.214 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.826 -4.200 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.979 -4.646 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.638 -5.938 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.578 -4.452 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.923 -2.973 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.587 -3.158 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.807 -4.188 1.790 1.00 0.00 H new ATOM 211 N GLU A 16 -9.341 -8.751 -0.270 1.00 0.00 N ATOM 212 CA GLU A 16 -9.281 -9.752 -1.352 1.00 0.00 C ATOM 213 C GLU A 16 -10.664 -10.263 -1.805 1.00 0.00 C ATOM 214 O GLU A 16 -10.797 -10.801 -2.909 1.00 0.00 O ATOM 215 CB GLU A 16 -8.408 -10.934 -0.908 1.00 0.00 C ATOM 216 CG GLU A 16 -6.921 -10.558 -0.878 1.00 0.00 C ATOM 217 CD GLU A 16 -6.002 -11.722 -0.467 1.00 0.00 C ATOM 218 OE1 GLU A 16 -6.358 -12.551 0.403 1.00 0.00 O ATOM 219 OE2 GLU A 16 -4.870 -11.821 -1.000 1.00 0.00 O1- ATOM 0 H GLU A 16 -9.081 -9.130 0.641 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.844 -9.251 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.720 -11.266 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.558 -11.773 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.624 -10.202 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.778 -9.730 -0.184 1.00 0.00 H new ATOM 226 N GLY A 17 -11.708 -10.099 -0.982 1.00 0.00 N ATOM 227 CA GLY A 17 -13.075 -10.551 -1.270 1.00 0.00 C ATOM 228 C GLY A 17 -13.945 -9.530 -2.026 1.00 0.00 C ATOM 229 O GLY A 17 -14.789 -9.921 -2.840 1.00 0.00 O ATOM 0 H GLY A 17 -11.623 -9.638 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.024 -11.469 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.566 -10.801 -0.330 1.00 0.00 H new ATOM 233 N LEU A 18 -13.751 -8.233 -1.764 1.00 0.00 N ATOM 234 CA LEU A 18 -14.524 -7.120 -2.344 1.00 0.00 C ATOM 235 C LEU A 18 -14.053 -6.697 -3.753 1.00 0.00 C ATOM 236 O LEU A 18 -13.151 -7.307 -4.340 1.00 0.00 O ATOM 237 CB LEU A 18 -14.573 -5.975 -1.308 1.00 0.00 C ATOM 238 CG LEU A 18 -13.232 -5.344 -0.876 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.531 -4.547 -1.976 1.00 0.00 C ATOM 240 CD2 LEU A 18 -13.492 -4.397 0.301 1.00 0.00 C ATOM 0 H LEU A 18 -13.027 -7.914 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.544 -7.452 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.202 -5.182 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.070 -6.352 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.574 -6.173 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.597 -4.138 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.318 -5.202 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.177 -3.732 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.553 -3.943 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.187 -3.616 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.922 -4.958 1.131 1.00 0.00 H new ATOM 252 N GLN A 19 -14.666 -5.640 -4.301 1.00 0.00 N ATOM 253 CA GLN A 19 -14.381 -5.076 -5.633 1.00 0.00 C ATOM 254 C GLN A 19 -14.302 -3.533 -5.632 1.00 0.00 C ATOM 255 O GLN A 19 -14.530 -2.882 -4.611 1.00 0.00 O ATOM 256 CB GLN A 19 -15.418 -5.608 -6.645 1.00 0.00 C ATOM 257 CG GLN A 19 -16.838 -5.046 -6.437 1.00 0.00 C ATOM 258 CD GLN A 19 -17.907 -6.129 -6.567 1.00 0.00 C ATOM 259 OE1 GLN A 19 -18.654 -6.200 -7.537 1.00 0.00 O ATOM 260 NE2 GLN A 19 -18.006 -7.031 -5.609 1.00 0.00 N ATOM 0 H GLN A 19 -15.403 -5.132 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.388 -5.407 -5.936 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.085 -5.364 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.454 -6.695 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.905 -4.587 -5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.027 -4.260 -7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.390 -6.983 -4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.698 -7.777 -5.680 1.00 0.00 H new ATOM 269 N ASP A 20 -13.969 -2.933 -6.781 1.00 0.00 N ATOM 270 CA ASP A 20 -13.671 -1.500 -6.933 1.00 0.00 C ATOM 271 C ASP A 20 -14.805 -0.528 -6.541 1.00 0.00 C ATOM 272 O ASP A 20 -14.518 0.585 -6.099 1.00 0.00 O ATOM 273 CB ASP A 20 -13.167 -1.190 -8.354 1.00 0.00 C ATOM 274 CG ASP A 20 -14.128 -1.482 -9.523 1.00 0.00 C ATOM 275 OD1 ASP A 20 -15.189 -2.131 -9.338 1.00 0.00 O ATOM 276 OD2 ASP A 20 -13.808 -1.067 -10.667 1.00 0.00 O1- ATOM 0 H ASP A 20 -13.897 -3.446 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.884 -1.315 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.898 -0.135 -8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.252 -1.759 -8.519 1.00 0.00 H new ATOM 281 N ASP A 21 -16.077 -0.940 -6.611 1.00 0.00 N ATOM 282 CA ASP A 21 -17.216 -0.158 -6.098 1.00 0.00 C ATOM 283 C ASP A 21 -17.163 0.045 -4.572 1.00 0.00 C ATOM 284 O ASP A 21 -17.553 1.100 -4.068 1.00 0.00 O ATOM 285 CB ASP A 21 -18.543 -0.834 -6.488 1.00 0.00 C ATOM 286 CG ASP A 21 -18.839 -0.845 -7.998 1.00 0.00 C ATOM 287 OD1 ASP A 21 -19.520 -1.793 -8.463 1.00 0.00 O ATOM 288 OD2 ASP A 21 -18.462 0.115 -8.719 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.350 -1.830 -7.027 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.152 0.829 -6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.531 -1.862 -6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.359 -0.325 -5.975 1.00 0.00 H new ATOM 293 N ASP A 22 -16.654 -0.948 -3.832 1.00 0.00 N ATOM 294 CA ASP A 22 -16.458 -0.882 -2.379 1.00 0.00 C ATOM 295 C ASP A 22 -15.169 -0.139 -1.980 1.00 0.00 C ATOM 296 O ASP A 22 -15.125 0.489 -0.919 1.00 0.00 O ATOM 297 CB ASP A 22 -16.461 -2.300 -1.796 1.00 0.00 C ATOM 298 CG ASP A 22 -17.729 -3.099 -2.140 1.00 0.00 C ATOM 299 OD1 ASP A 22 -18.858 -2.568 -1.992 1.00 0.00 O ATOM 300 OD2 ASP A 22 -17.606 -4.283 -2.542 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.361 -1.838 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.286 -0.306 -1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.589 -2.839 -2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.361 -2.240 -0.712 1.00 0.00 H new ATOM 305 N LEU A 23 -14.141 -0.160 -2.835 1.00 0.00 N ATOM 306 CA LEU A 23 -12.921 0.638 -2.671 1.00 0.00 C ATOM 307 C LEU A 23 -13.211 2.132 -2.884 1.00 0.00 C ATOM 308 O LEU A 23 -12.855 2.952 -2.038 1.00 0.00 O ATOM 309 CB LEU A 23 -11.820 0.135 -3.630 1.00 0.00 C ATOM 310 CG LEU A 23 -11.372 -1.316 -3.368 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.439 -1.826 -4.460 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.614 -1.443 -2.047 1.00 0.00 C ATOM 0 H LEU A 23 -14.133 -0.741 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.561 0.518 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.183 0.212 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.954 0.792 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.289 -1.904 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.146 -2.852 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.952 -1.795 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.550 -1.196 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.315 -2.480 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.727 -0.810 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.259 -1.130 -1.226 1.00 0.00 H new ATOM 324 N ALA A 24 -13.928 2.493 -3.954 1.00 0.00 N ATOM 325 CA ALA A 24 -14.340 3.873 -4.231 1.00 0.00 C ATOM 326 C ALA A 24 -15.167 4.495 -3.089 1.00 0.00 C ATOM 327 O ALA A 24 -15.030 5.689 -2.800 1.00 0.00 O ATOM 328 CB ALA A 24 -15.120 3.885 -5.549 1.00 0.00 C ATOM 0 H ALA A 24 -14.242 1.827 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.446 4.492 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.437 4.903 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.482 3.517 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.997 3.244 -5.459 1.00 0.00 H new ATOM 334 N ALA A 25 -15.975 3.683 -2.392 1.00 0.00 N ATOM 335 CA ALA A 25 -16.792 4.104 -1.254 1.00 0.00 C ATOM 336 C ALA A 25 -15.989 4.553 -0.008 1.00 0.00 C ATOM 337 O ALA A 25 -16.553 5.234 0.855 1.00 0.00 O ATOM 338 CB ALA A 25 -17.755 2.956 -0.928 1.00 0.00 C ATOM 0 H ALA A 25 -16.078 2.692 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.334 5.005 -1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.382 3.236 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.385 2.752 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.184 2.062 -0.677 1.00 0.00 H new ATOM 344 N LEU A 26 -14.693 4.205 0.094 1.00 0.00 N ATOM 345 CA LEU A 26 -13.808 4.614 1.204 1.00 0.00 C ATOM 346 C LEU A 26 -12.567 5.417 0.755 1.00 0.00 C ATOM 347 O LEU A 26 -12.073 6.241 1.528 1.00 0.00 O ATOM 348 CB LEU A 26 -13.497 3.393 2.097 1.00 0.00 C ATOM 349 CG LEU A 26 -12.422 2.419 1.569 1.00 0.00 C ATOM 350 CD1 LEU A 26 -11.054 2.716 2.187 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.773 0.971 1.914 1.00 0.00 C ATOM 0 H LEU A 26 -14.223 3.624 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.344 5.338 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.180 3.756 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.421 2.835 2.248 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.387 2.554 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.318 2.014 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.754 3.733 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.114 2.613 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.998 0.307 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.841 0.861 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.730 0.711 1.462 1.00 0.00 H new ATOM 363 N LEU A 27 -12.082 5.241 -0.482 1.00 0.00 N ATOM 364 CA LEU A 27 -11.032 6.077 -1.089 1.00 0.00 C ATOM 365 C LEU A 27 -11.541 7.489 -1.445 1.00 0.00 C ATOM 366 O LEU A 27 -10.810 8.468 -1.279 1.00 0.00 O ATOM 367 CB LEU A 27 -10.483 5.381 -2.350 1.00 0.00 C ATOM 368 CG LEU A 27 -9.292 4.434 -2.104 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.524 3.353 -1.050 1.00 0.00 C ATOM 370 CD2 LEU A 27 -8.942 3.729 -3.414 1.00 0.00 C ATOM 0 H LEU A 27 -12.413 4.501 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.238 6.197 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.290 4.813 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.179 6.145 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.492 5.072 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.627 2.741 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.749 3.821 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.361 2.724 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.100 3.056 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.802 3.156 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.673 4.471 -4.166 1.00 0.00 H new ATOM 382 N GLY A 28 -12.791 7.596 -1.900 1.00 0.00 N ATOM 383 CA GLY A 28 -13.476 8.870 -2.152 1.00 0.00 C ATOM 384 C GLY A 28 -12.759 9.750 -3.184 1.00 0.00 C ATOM 385 O GLY A 28 -12.456 9.315 -4.295 1.00 0.00 O ATOM 0 H GLY A 28 -13.370 6.783 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.489 8.667 -2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.564 9.419 -1.215 1.00 0.00 H new ATOM 389 N LYS A 29 -12.465 11.000 -2.810 1.00 0.00 N ATOM 390 CA LYS A 29 -11.728 11.972 -3.642 1.00 0.00 C ATOM 391 C LYS A 29 -10.302 11.536 -4.005 1.00 0.00 C ATOM 392 O LYS A 29 -9.818 11.842 -5.092 1.00 0.00 O ATOM 393 CB LYS A 29 -11.725 13.332 -2.921 1.00 0.00 C ATOM 394 CG LYS A 29 -10.915 13.322 -1.608 1.00 0.00 C ATOM 395 CD LYS A 29 -11.007 14.675 -0.914 1.00 0.00 C ATOM 396 CE LYS A 29 -10.208 14.709 0.397 1.00 0.00 C ATOM 397 NZ LYS A 29 -10.880 13.951 1.482 1.00 0.00 N1+ ATOM 0 H LYS A 29 -12.736 11.377 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.247 12.043 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.313 14.089 -3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.753 13.623 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.292 12.541 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.872 13.085 -1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.636 15.451 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.052 14.905 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.215 14.293 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.071 15.744 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.164 13.565 2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.516 14.585 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.431 13.171 1.071 1.00 0.00 H new ATOM 411 N GLU A 30 -9.636 10.784 -3.123 1.00 0.00 N ATOM 412 CA GLU A 30 -8.288 10.238 -3.341 1.00 0.00 C ATOM 413 C GLU A 30 -8.299 8.906 -4.118 1.00 0.00 C ATOM 414 O GLU A 30 -7.260 8.252 -4.250 1.00 0.00 O ATOM 415 CB GLU A 30 -7.534 10.115 -2.002 1.00 0.00 C ATOM 416 CG GLU A 30 -7.246 11.460 -1.312 1.00 0.00 C ATOM 417 CD GLU A 30 -6.578 12.493 -2.241 1.00 0.00 C ATOM 418 OE1 GLU A 30 -5.637 12.131 -2.990 1.00 0.00 O ATOM 419 OE2 GLU A 30 -6.997 13.674 -2.236 1.00 0.00 O1- ATOM 0 H GLU A 30 -10.027 10.531 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.751 10.945 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.118 9.491 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.589 9.600 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.181 11.873 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.602 11.287 -0.450 1.00 0.00 H new ATOM 426 N PHE A 31 -9.450 8.515 -4.678 1.00 0.00 N ATOM 427 CA PHE A 31 -9.522 7.414 -5.645 1.00 0.00 C ATOM 428 C PHE A 31 -8.637 7.676 -6.880 1.00 0.00 C ATOM 429 O PHE A 31 -8.491 8.824 -7.323 1.00 0.00 O ATOM 430 CB PHE A 31 -10.984 7.132 -6.021 1.00 0.00 C ATOM 431 CG PHE A 31 -11.180 5.924 -6.917 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.369 4.646 -6.352 1.00 0.00 C ATOM 433 CD2 PHE A 31 -11.174 6.068 -8.315 1.00 0.00 C ATOM 434 CE1 PHE A 31 -11.567 3.525 -7.180 1.00 0.00 C ATOM 435 CE2 PHE A 31 -11.364 4.948 -9.146 1.00 0.00 C ATOM 436 CZ PHE A 31 -11.561 3.677 -8.579 1.00 0.00 C ATOM 0 H PHE A 31 -10.351 8.949 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.121 6.516 -5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.560 6.988 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.393 8.010 -6.521 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.362 4.527 -5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.023 7.043 -8.754 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.723 2.550 -6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.358 5.065 -10.220 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.708 2.818 -9.217 1.00 0.00 H new ATOM 446 N ILE A 32 -8.030 6.616 -7.426 1.00 0.00 N ATOM 447 CA ILE A 32 -7.026 6.694 -8.500 1.00 0.00 C ATOM 448 C ILE A 32 -7.574 7.376 -9.770 1.00 0.00 C ATOM 449 O ILE A 32 -8.730 7.179 -10.147 1.00 0.00 O ATOM 450 CB ILE A 32 -6.457 5.278 -8.789 1.00 0.00 C ATOM 451 CG1 ILE A 32 -5.080 5.291 -9.483 1.00 0.00 C ATOM 452 CG2 ILE A 32 -7.413 4.427 -9.650 1.00 0.00 C ATOM 453 CD1 ILE A 32 -3.955 5.818 -8.581 1.00 0.00 C ATOM 0 H ILE A 32 -8.225 5.660 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.209 7.330 -8.159 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.345 4.835 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.834 4.280 -9.807 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.138 5.908 -10.380 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.970 3.446 -9.824 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.363 4.309 -9.130 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.582 4.924 -10.605 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.012 5.802 -9.128 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.181 6.840 -8.277 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.872 5.187 -7.696 1.00 0.00 H new ATOM 722 N TRP A 56 6.148 -13.200 7.961 1.00 0.00 N ATOM 723 CA TRP A 56 5.378 -11.948 8.038 1.00 0.00 C ATOM 724 C TRP A 56 5.759 -10.970 6.917 1.00 0.00 C ATOM 725 O TRP A 56 4.870 -10.354 6.326 1.00 0.00 O ATOM 726 CB TRP A 56 5.515 -11.291 9.426 1.00 0.00 C ATOM 727 CG TRP A 56 6.875 -10.773 9.807 1.00 0.00 C ATOM 728 CD1 TRP A 56 7.773 -11.439 10.565 1.00 0.00 C ATOM 729 CD2 TRP A 56 7.520 -9.496 9.460 1.00 0.00 C ATOM 730 NE1 TRP A 56 8.951 -10.720 10.645 1.00 0.00 N ATOM 731 CE2 TRP A 56 8.858 -9.524 9.967 1.00 0.00 C ATOM 732 CE3 TRP A 56 7.127 -8.329 8.763 1.00 0.00 C ATOM 733 CZ2 TRP A 56 9.771 -8.483 9.743 1.00 0.00 C ATOM 734 CZ3 TRP A 56 8.032 -7.266 8.552 1.00 0.00 C ATOM 735 CH2 TRP A 56 9.351 -7.347 9.032 1.00 0.00 C ATOM 0 HA TRP A 56 4.329 -12.207 7.894 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.810 -10.461 9.479 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.208 -12.019 10.177 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.597 -12.393 11.039 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.784 -11.035 11.143 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.118 -8.250 8.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.783 -8.554 10.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.709 -6.385 8.018 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.041 -6.536 8.854 1.00 0.00 H new ATOM 746 N LYS A 57 7.054 -10.849 6.584 1.00 0.00 N ATOM 747 CA LYS A 57 7.529 -10.011 5.471 1.00 0.00 C ATOM 748 C LYS A 57 7.271 -10.644 4.101 1.00 0.00 C ATOM 749 O LYS A 57 6.811 -9.953 3.192 1.00 0.00 O ATOM 750 CB LYS A 57 8.997 -9.589 5.669 1.00 0.00 C ATOM 751 CG LYS A 57 9.987 -10.717 6.007 1.00 0.00 C ATOM 752 CD LYS A 57 11.450 -10.246 5.979 1.00 0.00 C ATOM 753 CE LYS A 57 11.716 -9.086 6.953 1.00 0.00 C ATOM 754 NZ LYS A 57 13.121 -8.613 6.882 1.00 0.00 N1+ ATOM 0 H LYS A 57 7.803 -11.331 7.081 1.00 0.00 H new ATOM 0 HA LYS A 57 6.934 -9.098 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.338 -9.095 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.036 -8.848 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.756 -11.115 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.858 -11.534 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.102 -11.083 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.708 -9.933 4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.043 -8.259 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.493 -9.408 7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.178 -7.639 7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.725 -9.232 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.445 -8.636 5.894 1.00 0.00 H new ATOM 768 N ASP A 58 7.513 -11.947 3.964 1.00 0.00 N ATOM 769 CA ASP A 58 7.350 -12.670 2.697 1.00 0.00 C ATOM 770 C ASP A 58 5.895 -12.657 2.196 1.00 0.00 C ATOM 771 O ASP A 58 5.638 -12.246 1.064 1.00 0.00 O ATOM 772 CB ASP A 58 7.844 -14.125 2.822 1.00 0.00 C ATOM 773 CG ASP A 58 9.362 -14.320 2.982 1.00 0.00 C ATOM 774 OD1 ASP A 58 9.781 -15.485 3.190 1.00 0.00 O ATOM 775 OD2 ASP A 58 10.145 -13.350 2.844 1.00 0.00 O1- ATOM 0 H ASP A 58 7.830 -12.538 4.733 1.00 0.00 H new ATOM 0 HA ASP A 58 7.960 -12.144 1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.349 -14.582 3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.520 -14.673 1.937 1.00 0.00 H new ATOM 780 N ASP A 59 4.929 -13.063 3.024 1.00 0.00 N ATOM 781 CA ASP A 59 3.523 -13.170 2.609 1.00 0.00 C ATOM 782 C ASP A 59 2.854 -11.798 2.438 1.00 0.00 C ATOM 783 O ASP A 59 2.108 -11.589 1.481 1.00 0.00 O ATOM 784 CB ASP A 59 2.740 -14.035 3.606 1.00 0.00 C ATOM 785 CG ASP A 59 1.347 -14.386 3.053 1.00 0.00 C ATOM 786 OD1 ASP A 59 1.229 -15.414 2.347 1.00 0.00 O ATOM 787 OD2 ASP A 59 0.371 -13.646 3.322 1.00 0.00 O1- ATOM 0 H ASP A 59 5.095 -13.326 3.995 1.00 0.00 H new ATOM 0 HA ASP A 59 3.510 -13.650 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.295 -14.950 3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.637 -13.504 4.552 1.00 0.00 H new ATOM 792 N TYR A 60 3.159 -10.837 3.321 1.00 0.00 N ATOM 793 CA TYR A 60 2.589 -9.488 3.247 1.00 0.00 C ATOM 794 C TYR A 60 3.071 -8.730 1.999 1.00 0.00 C ATOM 795 O TYR A 60 2.261 -8.154 1.271 1.00 0.00 O ATOM 796 CB TYR A 60 2.908 -8.717 4.530 1.00 0.00 C ATOM 797 CG TYR A 60 2.253 -7.351 4.627 1.00 0.00 C ATOM 798 CD1 TYR A 60 3.048 -6.189 4.720 1.00 0.00 C ATOM 799 CD2 TYR A 60 0.848 -7.244 4.671 1.00 0.00 C ATOM 800 CE1 TYR A 60 2.436 -4.924 4.847 1.00 0.00 C ATOM 801 CE2 TYR A 60 0.238 -5.979 4.803 1.00 0.00 C ATOM 802 CZ TYR A 60 1.029 -4.817 4.893 1.00 0.00 C ATOM 803 OH TYR A 60 0.426 -3.616 5.084 1.00 0.00 O ATOM 0 H TYR A 60 3.803 -10.973 4.100 1.00 0.00 H new ATOM 0 HA TYR A 60 1.507 -9.579 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.596 -9.316 5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.988 -8.593 4.605 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.125 -6.268 4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.237 -8.132 4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.046 -4.035 4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.839 -5.901 4.835 1.00 0.00 H new ATOM 0 HH TYR A 60 0.119 -3.264 4.223 1.00 0.00 H new ATOM 813 N LEU A 61 4.370 -8.796 1.682 1.00 0.00 N ATOM 814 CA LEU A 61 4.915 -8.200 0.461 1.00 0.00 C ATOM 815 C LEU A 61 4.372 -8.890 -0.806 1.00 0.00 C ATOM 816 O LEU A 61 4.081 -8.211 -1.788 1.00 0.00 O ATOM 817 CB LEU A 61 6.452 -8.193 0.543 1.00 0.00 C ATOM 818 CG LEU A 61 7.160 -7.490 -0.627 1.00 0.00 C ATOM 819 CD1 LEU A 61 6.758 -6.021 -0.766 1.00 0.00 C ATOM 820 CD2 LEU A 61 8.673 -7.543 -0.391 1.00 0.00 C ATOM 0 H LEU A 61 5.067 -9.262 2.262 1.00 0.00 H new ATOM 0 HA LEU A 61 4.582 -7.165 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.749 -7.708 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.803 -9.224 0.595 1.00 0.00 H new ATOM 0 HG LEU A 61 6.867 -8.009 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.289 -5.577 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.684 -5.952 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.014 -5.486 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.187 -7.047 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.913 -7.037 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.996 -8.582 -0.334 1.00 0.00 H new ATOM 832 N SER A 62 4.165 -10.214 -0.770 1.00 0.00 N ATOM 833 CA SER A 62 3.491 -10.970 -1.846 1.00 0.00 C ATOM 834 C SER A 62 2.020 -10.557 -2.034 1.00 0.00 C ATOM 835 O SER A 62 1.536 -10.448 -3.163 1.00 0.00 O ATOM 836 CB SER A 62 3.611 -12.471 -1.552 1.00 0.00 C ATOM 837 OG SER A 62 2.976 -13.262 -2.545 1.00 0.00 O ATOM 0 H SER A 62 4.461 -10.799 0.011 1.00 0.00 H new ATOM 0 HA SER A 62 3.988 -10.736 -2.787 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.664 -12.745 -1.490 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.168 -12.686 -0.580 1.00 0.00 H new ATOM 0 HG SER A 62 3.077 -14.211 -2.321 1.00 0.00 H new ATOM 843 N ARG A 63 1.306 -10.236 -0.943 1.00 0.00 N ATOM 844 CA ARG A 63 -0.025 -9.605 -0.994 1.00 0.00 C ATOM 845 C ARG A 63 0.035 -8.235 -1.676 1.00 0.00 C ATOM 846 O ARG A 63 -0.652 -8.009 -2.668 1.00 0.00 O ATOM 847 CB ARG A 63 -0.630 -9.490 0.427 1.00 0.00 C ATOM 848 CG ARG A 63 -1.893 -10.330 0.625 1.00 0.00 C ATOM 849 CD ARG A 63 -1.620 -11.831 0.740 1.00 0.00 C ATOM 850 NE ARG A 63 -2.888 -12.554 0.911 1.00 0.00 N ATOM 851 CZ ARG A 63 -3.186 -13.505 1.774 1.00 0.00 C ATOM 852 NH1 ARG A 63 -2.320 -14.038 2.591 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -4.402 -13.953 1.831 1.00 0.00 N ATOM 0 H ARG A 63 1.637 -10.408 0.006 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.676 -10.243 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.119 -9.797 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.863 -8.445 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.406 -9.993 1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.570 -10.156 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.105 -12.186 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.962 -12.027 1.586 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.639 -12.283 0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.350 -13.721 2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.612 -14.772 3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.116 -13.570 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.644 -14.689 2.495 1.00 0.00 H new ATOM 867 N LEU A 64 0.880 -7.324 -1.193 1.00 0.00 N ATOM 868 CA LEU A 64 0.963 -5.963 -1.729 1.00 0.00 C ATOM 869 C LEU A 64 1.525 -5.907 -3.168 1.00 0.00 C ATOM 870 O LEU A 64 1.232 -4.950 -3.882 1.00 0.00 O ATOM 871 CB LEU A 64 1.747 -5.059 -0.753 1.00 0.00 C ATOM 872 CG LEU A 64 0.913 -4.469 0.402 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.267 -5.480 1.343 1.00 0.00 C ATOM 874 CD2 LEU A 64 1.794 -3.538 1.235 1.00 0.00 C ATOM 0 H LEU A 64 1.524 -7.506 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.054 -5.579 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.570 -5.635 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.190 -4.238 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 64 0.089 -3.950 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.293 -4.952 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.409 -6.122 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.041 -6.089 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.208 -3.118 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.635 -4.100 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.168 -2.731 0.605 1.00 0.00 H new ATOM 886 N SER A 65 2.267 -6.911 -3.650 1.00 0.00 N ATOM 887 CA SER A 65 2.616 -7.014 -5.076 1.00 0.00 C ATOM 888 C SER A 65 1.459 -7.534 -5.952 1.00 0.00 C ATOM 889 O SER A 65 1.292 -7.045 -7.074 1.00 0.00 O ATOM 890 CB SER A 65 3.894 -7.842 -5.278 1.00 0.00 C ATOM 891 OG SER A 65 3.687 -9.222 -5.041 1.00 0.00 O ATOM 0 H SER A 65 2.639 -7.666 -3.074 1.00 0.00 H new ATOM 0 HA SER A 65 2.812 -5.997 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.257 -7.702 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.672 -7.474 -4.609 1.00 0.00 H new ATOM 0 HG SER A 65 2.948 -9.338 -4.408 1.00 0.00 H new ATOM 897 N ARG A 66 0.621 -8.465 -5.469 1.00 0.00 N ATOM 898 CA ARG A 66 -0.481 -9.054 -6.261 1.00 0.00 C ATOM 899 C ARG A 66 -1.799 -8.256 -6.244 1.00 0.00 C ATOM 900 O ARG A 66 -2.557 -8.330 -7.210 1.00 0.00 O ATOM 901 CB ARG A 66 -0.667 -10.540 -5.889 1.00 0.00 C ATOM 902 CG ARG A 66 -1.516 -10.804 -4.637 1.00 0.00 C ATOM 903 CD ARG A 66 -1.412 -12.275 -4.219 1.00 0.00 C ATOM 904 NE ARG A 66 -2.413 -12.643 -3.194 1.00 0.00 N ATOM 905 CZ ARG A 66 -2.673 -13.873 -2.794 1.00 0.00 C ATOM 906 NH1 ARG A 66 -1.985 -14.906 -3.200 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 -3.658 -14.092 -1.975 1.00 0.00 N ATOM 0 H ARG A 66 0.685 -8.833 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.175 -8.992 -7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.126 -11.054 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.317 -10.986 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.181 -10.163 -3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.557 -10.549 -4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.544 -12.909 -5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.412 -12.470 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.944 -11.886 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.211 -14.779 -3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.221 -15.840 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.228 -13.314 -1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.861 -15.042 -1.664 1.00 0.00 H new ATOM 921 N LEU A 67 -2.070 -7.500 -5.178 1.00 0.00 N ATOM 922 CA LEU A 67 -3.246 -6.620 -5.050 1.00 0.00 C ATOM 923 C LEU A 67 -3.157 -5.379 -5.963 1.00 0.00 C ATOM 924 O LEU A 67 -2.071 -4.949 -6.366 1.00 0.00 O ATOM 925 CB LEU A 67 -3.435 -6.234 -3.565 1.00 0.00 C ATOM 926 CG LEU A 67 -4.343 -7.183 -2.750 1.00 0.00 C ATOM 927 CD1 LEU A 67 -3.981 -8.664 -2.831 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.311 -6.773 -1.276 1.00 0.00 C ATOM 0 H LEU A 67 -1.466 -7.478 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.125 -7.168 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.455 -6.196 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.852 -5.228 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.331 -7.080 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.678 -9.243 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.039 -8.997 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.967 -8.812 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.951 -7.441 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.289 -6.837 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.671 -5.749 -1.175 1.00 0.00 H new ATOM 940 N SER A 68 -4.303 -4.776 -6.291 1.00 0.00 N ATOM 941 CA SER A 68 -4.401 -3.524 -7.070 1.00 0.00 C ATOM 942 C SER A 68 -4.088 -2.287 -6.216 1.00 0.00 C ATOM 943 O SER A 68 -4.303 -2.307 -5.006 1.00 0.00 O ATOM 944 CB SER A 68 -5.811 -3.379 -7.660 1.00 0.00 C ATOM 945 OG SER A 68 -6.118 -4.455 -8.531 1.00 0.00 O ATOM 0 H SER A 68 -5.213 -5.148 -6.019 1.00 0.00 H new ATOM 0 HA SER A 68 -3.661 -3.584 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.543 -3.341 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.885 -2.437 -8.202 1.00 0.00 H new ATOM 0 HG SER A 68 -7.022 -4.337 -8.890 1.00 0.00 H new ATOM 951 N LYS A 69 -3.631 -1.179 -6.814 1.00 0.00 N ATOM 952 CA LYS A 69 -3.265 0.069 -6.104 1.00 0.00 C ATOM 953 C LYS A 69 -4.368 0.571 -5.155 1.00 0.00 C ATOM 954 O LYS A 69 -4.085 1.028 -4.052 1.00 0.00 O ATOM 955 CB LYS A 69 -2.896 1.135 -7.160 1.00 0.00 C ATOM 956 CG LYS A 69 -2.471 2.501 -6.590 1.00 0.00 C ATOM 957 CD LYS A 69 -1.208 2.416 -5.715 1.00 0.00 C ATOM 958 CE LYS A 69 -0.750 3.780 -5.177 1.00 0.00 C ATOM 959 NZ LYS A 69 -0.422 4.727 -6.264 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.500 -1.116 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.410 -0.136 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.085 0.748 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.752 1.284 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.291 3.193 -7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.289 2.914 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.400 1.748 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.400 1.973 -6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.536 4.205 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.124 3.643 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.436 5.259 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.257 4.200 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.213 5.389 -6.399 1.00 0.00 H new ATOM 973 N ASN A 70 -5.632 0.428 -5.559 1.00 0.00 N ATOM 974 CA ASN A 70 -6.800 0.768 -4.746 1.00 0.00 C ATOM 975 C ASN A 70 -6.953 -0.137 -3.507 1.00 0.00 C ATOM 976 O ASN A 70 -7.300 0.348 -2.429 1.00 0.00 O ATOM 977 CB ASN A 70 -8.050 0.711 -5.648 1.00 0.00 C ATOM 978 CG ASN A 70 -7.935 1.582 -6.891 1.00 0.00 C ATOM 979 OD1 ASN A 70 -8.457 2.781 -6.854 1.00 0.00 O flip ATOM 980 ND2 ASN A 70 -7.365 1.193 -7.899 1.00 0.00 N flip ATOM 0 H ASN A 70 -5.877 0.065 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.669 1.775 -4.350 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.224 -0.321 -5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.920 1.025 -5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.958 0.258 -7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.296 1.803 -8.713 1.00 0.00 H new ATOM 987 N GLN A 71 -6.659 -1.435 -3.638 1.00 0.00 N ATOM 988 CA GLN A 71 -6.626 -2.395 -2.530 1.00 0.00 C ATOM 989 C GLN A 71 -5.473 -2.096 -1.556 1.00 0.00 C ATOM 990 O GLN A 71 -5.682 -2.157 -0.345 1.00 0.00 O ATOM 991 CB GLN A 71 -6.526 -3.831 -3.068 1.00 0.00 C ATOM 992 CG GLN A 71 -7.793 -4.300 -3.790 1.00 0.00 C ATOM 993 CD GLN A 71 -7.600 -5.690 -4.395 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.791 -5.895 -5.288 1.00 0.00 O ATOM 995 NE2 GLN A 71 -8.315 -6.701 -3.947 1.00 0.00 N ATOM 0 H GLN A 71 -6.432 -1.857 -4.539 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.558 -2.294 -1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.681 -3.896 -3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.317 -4.508 -2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.628 -4.318 -3.090 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.051 -3.591 -4.576 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.996 -6.554 -3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.188 -7.632 -4.345 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.283 -1.719 -2.053 1.00 0.00 N ATOM 1005 CA LEU A 72 -3.166 -1.265 -1.206 1.00 0.00 C ATOM 1006 C LEU A 72 -3.529 -0.020 -0.380 1.00 0.00 C ATOM 1007 O LEU A 72 -3.168 0.047 0.796 1.00 0.00 O ATOM 1008 CB LEU A 72 -1.890 -0.971 -2.021 1.00 0.00 C ATOM 1009 CG LEU A 72 -1.062 -2.207 -2.422 1.00 0.00 C ATOM 1010 CD1 LEU A 72 -1.578 -2.882 -3.685 1.00 0.00 C ATOM 1011 CD2 LEU A 72 0.387 -1.772 -2.653 1.00 0.00 C ATOM 0 H LEU A 72 -4.068 -1.720 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.966 -2.095 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.173 -0.435 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.255 -0.302 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.141 -2.931 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.955 -3.746 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.606 -3.208 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.543 -2.176 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.986 -2.637 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.421 -1.029 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.788 -1.340 -1.736 1.00 0.00 H new ATOM 1023 N MET A 73 -4.271 0.935 -0.951 1.00 0.00 N ATOM 1024 CA MET A 73 -4.795 2.077 -0.191 1.00 0.00 C ATOM 1025 C MET A 73 -5.800 1.641 0.888 1.00 0.00 C ATOM 1026 O MET A 73 -5.704 2.102 2.027 1.00 0.00 O ATOM 1027 CB MET A 73 -5.398 3.123 -1.138 1.00 0.00 C ATOM 1028 CG MET A 73 -4.302 3.920 -1.852 1.00 0.00 C ATOM 1029 SD MET A 73 -4.887 5.423 -2.685 1.00 0.00 S ATOM 1030 CE MET A 73 -5.451 4.750 -4.271 1.00 0.00 C ATOM 0 H MET A 73 -4.523 0.940 -1.939 1.00 0.00 H new ATOM 0 HA MET A 73 -3.958 2.537 0.334 1.00 0.00 H new ATOM 0 HB2 MET A 73 -6.031 2.628 -1.875 1.00 0.00 H new ATOM 0 HB3 MET A 73 -6.037 3.803 -0.574 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.539 4.196 -1.125 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.822 3.275 -2.588 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.820 5.132 -5.073 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.390 3.662 -4.247 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.484 5.051 -4.448 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.727 0.728 0.581 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.758 0.301 1.527 1.00 0.00 C ATOM 1042 C ALA A 74 -7.228 -0.550 2.695 1.00 0.00 C ATOM 1043 O ALA A 74 -7.576 -0.279 3.845 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.852 -0.419 0.739 1.00 0.00 C ATOM 0 H ALA A 74 -6.782 0.267 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.162 1.188 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.635 -0.749 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.277 0.262 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.425 -1.284 0.231 1.00 0.00 H new ATOM 1050 N LEU A 75 -6.347 -1.529 2.439 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.743 -2.347 3.510 1.00 0.00 C ATOM 1052 C LEU A 75 -4.893 -1.489 4.462 1.00 0.00 C ATOM 1053 O LEU A 75 -4.937 -1.690 5.680 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.975 -3.547 2.903 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.604 -3.237 2.263 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -2.440 -3.370 3.250 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -3.301 -4.188 1.106 1.00 0.00 C ATOM 0 H LEU A 75 -6.035 -1.776 1.500 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.537 -2.765 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.825 -4.288 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.608 -4.009 2.146 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.684 -2.205 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.504 -3.140 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.584 -2.676 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.403 -4.389 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.329 -3.942 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.287 -5.214 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.070 -4.087 0.341 1.00 0.00 H new ATOM 1069 N ALA A 76 -4.172 -0.495 3.930 1.00 0.00 N ATOM 1070 CA ALA A 76 -3.337 0.412 4.712 1.00 0.00 C ATOM 1071 C ALA A 76 -4.178 1.356 5.590 1.00 0.00 C ATOM 1072 O ALA A 76 -3.836 1.585 6.755 1.00 0.00 O ATOM 1073 CB ALA A 76 -2.419 1.174 3.756 1.00 0.00 C ATOM 0 H ALA A 76 -4.155 -0.299 2.929 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.727 -0.165 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.788 1.857 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.792 0.467 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.022 1.742 3.048 1.00 0.00 H new ATOM 1079 N LEU A 77 -5.310 1.854 5.077 1.00 0.00 N ATOM 1080 CA LEU A 77 -6.251 2.683 5.835 1.00 0.00 C ATOM 1081 C LEU A 77 -6.911 1.873 6.968 1.00 0.00 C ATOM 1082 O LEU A 77 -6.926 2.318 8.117 1.00 0.00 O ATOM 1083 CB LEU A 77 -7.268 3.288 4.842 1.00 0.00 C ATOM 1084 CG LEU A 77 -7.986 4.587 5.256 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -8.881 4.437 6.483 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -7.004 5.741 5.483 1.00 0.00 C ATOM 0 H LEU A 77 -5.600 1.690 4.113 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.731 3.502 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.748 3.477 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.029 2.534 4.640 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.631 4.820 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.350 5.394 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.652 3.693 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.281 4.116 7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.555 6.636 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.304 5.473 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.453 5.936 4.563 1.00 0.00 H new ATOM 1098 N LYS A 78 -7.355 0.639 6.688 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.943 -0.275 7.689 1.00 0.00 C ATOM 1100 C LYS A 78 -6.991 -0.575 8.847 1.00 0.00 C ATOM 1101 O LYS A 78 -7.380 -0.397 10.006 1.00 0.00 O ATOM 1102 CB LYS A 78 -8.399 -1.583 7.021 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.724 -1.454 6.255 1.00 0.00 C ATOM 1104 CD LYS A 78 -10.064 -2.807 5.613 1.00 0.00 C ATOM 1105 CE LYS A 78 -11.437 -2.839 4.931 1.00 0.00 C ATOM 1106 NZ LYS A 78 -12.547 -2.810 5.914 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.317 0.239 5.750 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.808 0.236 8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.623 -1.920 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.504 -2.354 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.522 -1.147 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.642 -0.683 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.298 -3.053 4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.031 -3.581 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.527 -1.987 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.517 -3.738 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.343 -3.376 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.220 -3.206 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.858 -1.828 6.058 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.752 -1.002 8.566 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.785 -1.340 9.626 1.00 0.00 C ATOM 1122 C LEU A 79 -4.320 -0.111 10.428 1.00 0.00 C ATOM 1123 O LEU A 79 -3.971 -0.246 11.605 1.00 0.00 O ATOM 1124 CB LEU A 79 -3.634 -2.200 9.053 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.592 -1.495 8.168 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -1.469 -0.821 8.969 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.929 -2.515 7.241 1.00 0.00 C ATOM 0 H LEU A 79 -5.394 -1.122 7.618 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.294 -1.955 10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.108 -2.659 9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.076 -3.009 8.472 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.137 -0.727 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.769 -0.343 8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.896 -0.070 9.633 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.943 -1.571 9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.191 -2.012 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.436 -3.283 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.686 -2.978 6.608 1.00 0.00 H new ATOM 1139 N LYS A 80 -4.363 1.092 9.836 1.00 0.00 N ATOM 1140 CA LYS A 80 -4.133 2.375 10.522 1.00 0.00 C ATOM 1141 C LYS A 80 -5.307 2.770 11.428 1.00 0.00 C ATOM 1142 O LYS A 80 -5.087 3.278 12.524 1.00 0.00 O ATOM 1143 CB LYS A 80 -3.847 3.459 9.465 1.00 0.00 C ATOM 1144 CG LYS A 80 -3.403 4.796 10.088 1.00 0.00 C ATOM 1145 CD LYS A 80 -3.076 5.810 8.991 1.00 0.00 C ATOM 1146 CE LYS A 80 -2.606 7.156 9.560 1.00 0.00 C ATOM 1147 NZ LYS A 80 -1.221 7.093 10.098 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.564 1.204 8.842 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.271 2.270 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.071 3.104 8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.743 3.622 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.193 5.186 10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.529 4.638 10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.301 5.402 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.959 5.969 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.655 7.914 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.286 7.470 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.950 8.026 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.177 6.389 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.565 6.820 9.338 1.00 0.00 H new ATOM 1161 N GLN A 81 -6.547 2.514 11.008 1.00 0.00 N ATOM 1162 CA GLN A 81 -7.762 2.890 11.745 1.00 0.00 C ATOM 1163 C GLN A 81 -7.970 2.038 13.006 1.00 0.00 C ATOM 1164 O GLN A 81 -8.383 2.551 14.048 1.00 0.00 O ATOM 1165 CB GLN A 81 -8.963 2.815 10.789 1.00 0.00 C ATOM 1166 CG GLN A 81 -10.272 3.292 11.448 1.00 0.00 C ATOM 1167 CD GLN A 81 -11.319 3.757 10.435 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -11.837 4.869 10.492 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -11.654 2.952 9.447 1.00 0.00 N ATOM 0 H GLN A 81 -6.742 2.031 10.131 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.654 3.913 12.105 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.761 3.424 9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.086 1.788 10.445 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.688 2.480 12.045 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.050 4.110 12.133 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.236 2.024 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.332 3.257 8.748 1.00 0.00 H new ATOM 1178 N GLN A 82 -7.642 0.740 12.943 1.00 0.00 N ATOM 1179 CA GLN A 82 -7.768 -0.181 14.081 1.00 0.00 C ATOM 1180 C GLN A 82 -6.654 -0.012 15.133 1.00 0.00 C ATOM 1181 O GLN A 82 -6.908 -0.184 16.329 1.00 0.00 O ATOM 1182 CB GLN A 82 -7.901 -1.621 13.551 1.00 0.00 C ATOM 1183 CG GLN A 82 -6.627 -2.203 12.917 1.00 0.00 C ATOM 1184 CD GLN A 82 -5.610 -2.750 13.918 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -5.927 -3.173 15.024 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -4.338 -2.743 13.587 1.00 0.00 N ATOM 0 H GLN A 82 -7.280 0.298 12.098 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.676 0.069 14.630 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.207 -2.268 14.374 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.701 -1.647 12.811 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.910 -3.003 12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.148 -1.428 12.319 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.051 -2.396 12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.638 -3.085 14.245 1.00 0.00 H new ATOM 1403 N GLU B 111 8.185 7.170 8.114 1.00 0.00 N ATOM 1404 CA GLU B 111 8.585 6.378 6.937 1.00 0.00 C ATOM 1405 C GLU B 111 8.136 7.023 5.614 1.00 0.00 C ATOM 1406 O GLU B 111 8.809 6.872 4.598 1.00 0.00 O ATOM 1407 CB GLU B 111 8.042 4.940 7.031 1.00 0.00 C ATOM 1408 CG GLU B 111 8.235 4.223 8.377 1.00 0.00 C ATOM 1409 CD GLU B 111 9.586 4.502 9.068 1.00 0.00 C ATOM 1410 OE1 GLU B 111 9.601 4.698 10.306 1.00 0.00 O ATOM 1411 OE2 GLU B 111 10.641 4.500 8.391 1.00 0.00 O1- ATOM 0 HA GLU B 111 9.675 6.351 6.937 1.00 0.00 H new ATOM 0 HB2 GLU B 111 6.976 4.962 6.805 1.00 0.00 H new ATOM 0 HB3 GLU B 111 8.520 4.343 6.254 1.00 0.00 H new ATOM 0 HG2 GLU B 111 7.430 4.519 9.050 1.00 0.00 H new ATOM 0 HG3 GLU B 111 8.138 3.149 8.218 1.00 0.00 H new ATOM 1418 N LEU B 112 7.041 7.793 5.628 1.00 0.00 N ATOM 1419 CA LEU B 112 6.504 8.481 4.450 1.00 0.00 C ATOM 1420 C LEU B 112 7.518 9.487 3.871 1.00 0.00 C ATOM 1421 O LEU B 112 7.690 9.565 2.654 1.00 0.00 O ATOM 1422 CB LEU B 112 5.189 9.203 4.832 1.00 0.00 C ATOM 1423 CG LEU B 112 3.939 8.347 5.128 1.00 0.00 C ATOM 1424 CD1 LEU B 112 3.551 7.483 3.929 1.00 0.00 C ATOM 1425 CD2 LEU B 112 4.064 7.434 6.355 1.00 0.00 C ATOM 0 H LEU B 112 6.495 7.958 6.474 1.00 0.00 H new ATOM 0 HA LEU B 112 6.304 7.738 3.678 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.389 9.813 5.713 1.00 0.00 H new ATOM 0 HB3 LEU B 112 4.938 9.887 4.021 1.00 0.00 H new ATOM 0 HG LEU B 112 3.165 9.083 5.343 1.00 0.00 H new ATOM 0 HD11 LEU B 112 2.667 6.895 4.175 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.334 8.123 3.074 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.375 6.814 3.681 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.140 6.871 6.485 1.00 0.00 H new ATOM 0 HD22 LEU B 112 4.893 6.741 6.210 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.248 8.040 7.242 1.00 0.00 H new ATOM 1437 N SER B 113 8.223 10.226 4.737 1.00 0.00 N ATOM 1438 CA SER B 113 9.287 11.162 4.348 1.00 0.00 C ATOM 1439 C SER B 113 10.551 10.452 3.844 1.00 0.00 C ATOM 1440 O SER B 113 11.205 10.939 2.919 1.00 0.00 O ATOM 1441 CB SER B 113 9.655 12.055 5.544 1.00 0.00 C ATOM 1442 OG SER B 113 8.524 12.783 6.001 1.00 0.00 O ATOM 0 H SER B 113 8.068 10.190 5.745 1.00 0.00 H new ATOM 0 HA SER B 113 8.896 11.760 3.525 1.00 0.00 H new ATOM 0 HB2 SER B 113 10.048 11.441 6.354 1.00 0.00 H new ATOM 0 HB3 SER B 113 10.446 12.747 5.256 1.00 0.00 H new ATOM 0 HG SER B 113 8.781 13.343 6.763 1.00 0.00 H new ATOM 1448 N GLU B 114 10.888 9.288 4.409 1.00 0.00 N ATOM 1449 CA GLU B 114 12.065 8.499 4.009 1.00 0.00 C ATOM 1450 C GLU B 114 11.883 7.820 2.636 1.00 0.00 C ATOM 1451 O GLU B 114 12.749 7.934 1.764 1.00 0.00 O ATOM 1452 CB GLU B 114 12.386 7.468 5.114 1.00 0.00 C ATOM 1453 CG GLU B 114 13.618 6.589 4.839 1.00 0.00 C ATOM 1454 CD GLU B 114 14.934 7.380 4.656 1.00 0.00 C ATOM 1455 OE1 GLU B 114 15.093 8.488 5.223 1.00 0.00 O ATOM 1456 OE2 GLU B 114 15.842 6.872 3.954 1.00 0.00 O1- ATOM 0 H GLU B 114 10.350 8.861 5.163 1.00 0.00 H new ATOM 0 HA GLU B 114 12.909 9.179 3.894 1.00 0.00 H new ATOM 0 HB2 GLU B 114 12.539 7.999 6.053 1.00 0.00 H new ATOM 0 HB3 GLU B 114 11.519 6.821 5.251 1.00 0.00 H new ATOM 0 HG2 GLU B 114 13.741 5.887 5.664 1.00 0.00 H new ATOM 0 HG3 GLU B 114 13.435 5.997 3.942 1.00 0.00 H new ATOM 1463 N ILE B 115 10.733 7.176 2.413 1.00 0.00 N ATOM 1464 CA ILE B 115 10.361 6.506 1.154 1.00 0.00 C ATOM 1465 C ILE B 115 10.184 7.499 -0.017 1.00 0.00 C ATOM 1466 O ILE B 115 10.387 7.135 -1.178 1.00 0.00 O ATOM 1467 CB ILE B 115 9.117 5.617 1.397 1.00 0.00 C ATOM 1468 CG1 ILE B 115 9.383 4.467 2.406 1.00 0.00 C ATOM 1469 CG2 ILE B 115 8.548 5.032 0.094 1.00 0.00 C ATOM 1470 CD1 ILE B 115 10.556 3.533 2.090 1.00 0.00 C ATOM 0 H ILE B 115 10.008 7.102 3.126 1.00 0.00 H new ATOM 0 HA ILE B 115 11.182 5.861 0.841 1.00 0.00 H new ATOM 0 HB ILE B 115 8.376 6.287 1.832 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.554 4.908 3.388 1.00 0.00 H new ATOM 0 HG13 ILE B 115 8.478 3.864 2.481 1.00 0.00 H new ATOM 0 HG21 ILE B 115 7.677 4.417 0.321 1.00 0.00 H new ATOM 0 HG22 ILE B 115 8.255 5.844 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE B 115 9.308 4.420 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE B 115 10.637 2.774 2.868 1.00 0.00 H new ATOM 0 HD12 ILE B 115 10.387 3.049 1.128 1.00 0.00 H new ATOM 0 HD13 ILE B 115 11.480 4.110 2.049 1.00 0.00 H new ATOM 1482 N GLU B 116 9.860 8.768 0.259 1.00 0.00 N ATOM 1483 CA GLU B 116 9.878 9.854 -0.739 1.00 0.00 C ATOM 1484 C GLU B 116 11.287 10.432 -1.018 1.00 0.00 C ATOM 1485 O GLU B 116 11.500 11.035 -2.072 1.00 0.00 O ATOM 1486 CB GLU B 116 8.927 10.984 -0.299 1.00 0.00 C ATOM 1487 CG GLU B 116 7.446 10.679 -0.582 1.00 0.00 C ATOM 1488 CD GLU B 116 7.080 10.963 -2.054 1.00 0.00 C ATOM 1489 OE1 GLU B 116 7.476 10.176 -2.947 1.00 0.00 O ATOM 1490 OE2 GLU B 116 6.395 11.980 -2.327 1.00 0.00 O1- ATOM 0 H GLU B 116 9.575 9.077 1.188 1.00 0.00 H new ATOM 0 HA GLU B 116 9.542 9.410 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU B 116 9.056 11.163 0.768 1.00 0.00 H new ATOM 0 HB3 GLU B 116 9.206 11.904 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU B 116 7.238 9.635 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.818 11.283 0.073 1.00 0.00 H new ATOM 1497 N GLY B 117 12.250 10.246 -0.107 1.00 0.00 N ATOM 1498 CA GLY B 117 13.636 10.722 -0.251 1.00 0.00 C ATOM 1499 C GLY B 117 14.521 9.812 -1.117 1.00 0.00 C ATOM 1500 O GLY B 117 15.388 10.301 -1.851 1.00 0.00 O ATOM 0 H GLY B 117 12.087 9.751 0.770 1.00 0.00 H new ATOM 0 HA2 GLY B 117 13.623 11.721 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY B 117 14.083 10.812 0.739 1.00 0.00 H new ATOM 1504 N LEU B 118 14.299 8.498 -1.055 1.00 0.00 N ATOM 1505 CA LEU B 118 14.987 7.469 -1.853 1.00 0.00 C ATOM 1506 C LEU B 118 14.435 7.351 -3.297 1.00 0.00 C ATOM 1507 O LEU B 118 13.490 8.054 -3.674 1.00 0.00 O ATOM 1508 CB LEU B 118 14.974 6.157 -1.046 1.00 0.00 C ATOM 1509 CG LEU B 118 13.607 5.555 -0.678 1.00 0.00 C ATOM 1510 CD1 LEU B 118 12.867 4.917 -1.848 1.00 0.00 C ATOM 1511 CD2 LEU B 118 13.819 4.468 0.376 1.00 0.00 C ATOM 0 H LEU B 118 13.606 8.100 -0.421 1.00 0.00 H new ATOM 0 HA LEU B 118 16.025 7.755 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.527 5.409 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU B 118 15.525 6.327 -0.121 1.00 0.00 H new ATOM 0 HG LEU B 118 12.998 6.385 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU B 118 11.914 4.518 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.688 5.668 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU B 118 13.470 4.109 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU B 118 12.858 4.032 0.647 1.00 0.00 H new ATOM 0 HD22 LEU B 118 14.469 3.692 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU B 118 14.282 4.905 1.261 1.00 0.00 H new ATOM 1523 N GLN B 119 15.024 6.460 -4.103 1.00 0.00 N ATOM 1524 CA GLN B 119 14.670 6.228 -5.514 1.00 0.00 C ATOM 1525 C GLN B 119 14.503 4.729 -5.856 1.00 0.00 C ATOM 1526 O GLN B 119 14.669 3.853 -5.005 1.00 0.00 O ATOM 1527 CB GLN B 119 15.665 6.965 -6.429 1.00 0.00 C ATOM 1528 CG GLN B 119 17.105 6.427 -6.412 1.00 0.00 C ATOM 1529 CD GLN B 119 18.060 7.436 -5.787 1.00 0.00 C ATOM 1530 OE1 GLN B 119 18.643 8.280 -6.456 1.00 0.00 O ATOM 1531 NE2 GLN B 119 18.234 7.412 -4.485 1.00 0.00 N ATOM 0 H GLN B 119 15.785 5.860 -3.784 1.00 0.00 H new ATOM 0 HA GLN B 119 13.682 6.651 -5.695 1.00 0.00 H new ATOM 0 HB2 GLN B 119 15.292 6.921 -7.452 1.00 0.00 H new ATOM 0 HB3 GLN B 119 15.685 8.016 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN B 119 17.141 5.493 -5.852 1.00 0.00 H new ATOM 0 HG3 GLN B 119 17.424 6.201 -7.429 1.00 0.00 H new ATOM 0 HE21 GLN B 119 17.753 6.713 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN B 119 18.850 8.092 -4.040 1.00 0.00 H new ATOM 1540 N ASP B 120 14.156 4.428 -7.111 1.00 0.00 N ATOM 1541 CA ASP B 120 13.771 3.083 -7.577 1.00 0.00 C ATOM 1542 C ASP B 120 14.855 2.006 -7.363 1.00 0.00 C ATOM 1543 O ASP B 120 14.533 0.847 -7.094 1.00 0.00 O ATOM 1544 CB ASP B 120 13.388 3.115 -9.069 1.00 0.00 C ATOM 1545 CG ASP B 120 12.235 4.066 -9.460 1.00 0.00 C ATOM 1546 OD1 ASP B 120 11.568 4.663 -8.578 1.00 0.00 O ATOM 1547 OD2 ASP B 120 11.983 4.205 -10.681 1.00 0.00 O1- ATOM 0 H ASP B 120 14.133 5.127 -7.853 1.00 0.00 H new ATOM 0 HA ASP B 120 12.916 2.802 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP B 120 14.271 3.395 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP B 120 13.116 2.104 -9.374 1.00 0.00 H new ATOM 1552 N ASP B 121 16.135 2.381 -7.427 1.00 0.00 N ATOM 1553 CA ASP B 121 17.268 1.494 -7.121 1.00 0.00 C ATOM 1554 C ASP B 121 17.290 1.055 -5.643 1.00 0.00 C ATOM 1555 O ASP B 121 17.688 -0.071 -5.333 1.00 0.00 O ATOM 1556 CB ASP B 121 18.594 2.195 -7.470 1.00 0.00 C ATOM 1557 CG ASP B 121 18.774 2.547 -8.958 1.00 0.00 C ATOM 1558 OD1 ASP B 121 18.163 1.891 -9.841 1.00 0.00 O ATOM 1559 OD2 ASP B 121 19.575 3.470 -9.259 1.00 0.00 O1- ATOM 0 H ASP B 121 16.421 3.322 -7.696 1.00 0.00 H new ATOM 0 HA ASP B 121 17.146 0.597 -7.728 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.668 3.111 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP B 121 19.419 1.552 -7.162 1.00 0.00 H new ATOM 1564 N ASP B 122 16.846 1.924 -4.728 1.00 0.00 N ATOM 1565 CA ASP B 122 16.696 1.617 -3.302 1.00 0.00 C ATOM 1566 C ASP B 122 15.437 0.782 -3.031 1.00 0.00 C ATOM 1567 O ASP B 122 15.483 -0.152 -2.223 1.00 0.00 O ATOM 1568 CB ASP B 122 16.649 2.907 -2.480 1.00 0.00 C ATOM 1569 CG ASP B 122 17.757 3.910 -2.842 1.00 0.00 C ATOM 1570 OD1 ASP B 122 17.421 5.064 -3.200 1.00 0.00 O ATOM 1571 OD2 ASP B 122 18.960 3.557 -2.750 1.00 0.00 O1- ATOM 0 H ASP B 122 16.576 2.879 -4.963 1.00 0.00 H new ATOM 0 HA ASP B 122 17.563 1.028 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.679 3.383 -2.623 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.729 2.657 -1.422 1.00 0.00 H new ATOM 1576 N LEU B 123 14.331 1.060 -3.738 1.00 0.00 N ATOM 1577 CA LEU B 123 13.100 0.264 -3.660 1.00 0.00 C ATOM 1578 C LEU B 123 13.369 -1.195 -4.051 1.00 0.00 C ATOM 1579 O LEU B 123 13.044 -2.097 -3.282 1.00 0.00 O ATOM 1580 CB LEU B 123 11.988 0.877 -4.543 1.00 0.00 C ATOM 1581 CG LEU B 123 11.476 2.259 -4.093 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.456 2.811 -5.092 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.760 2.192 -2.741 1.00 0.00 C ATOM 0 H LEU B 123 14.267 1.848 -4.383 1.00 0.00 H new ATOM 0 HA LEU B 123 12.753 0.279 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.362 0.961 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.145 0.186 -4.569 1.00 0.00 H new ATOM 0 HG LEU B 123 12.357 2.897 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU B 123 10.108 3.787 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU B 123 10.924 2.911 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.609 2.128 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.416 3.188 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU B 123 9.905 1.520 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.449 1.821 -1.982 1.00 0.00 H new ATOM 1595 N ALA B 124 14.025 -1.449 -5.190 1.00 0.00 N ATOM 1596 CA ALA B 124 14.365 -2.812 -5.602 1.00 0.00 C ATOM 1597 C ALA B 124 15.338 -3.508 -4.632 1.00 0.00 C ATOM 1598 O ALA B 124 15.207 -4.716 -4.413 1.00 0.00 O ATOM 1599 CB ALA B 124 14.939 -2.781 -7.017 1.00 0.00 C ATOM 0 H ALA B 124 14.330 -0.726 -5.842 1.00 0.00 H new ATOM 0 HA ALA B 124 13.449 -3.402 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.194 -3.794 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA B 124 14.198 -2.366 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA B 124 15.835 -2.160 -7.033 1.00 0.00 H new ATOM 1605 N ALA B 125 16.268 -2.771 -4.016 1.00 0.00 N ATOM 1606 CA ALA B 125 17.197 -3.316 -3.027 1.00 0.00 C ATOM 1607 C ALA B 125 16.504 -3.725 -1.712 1.00 0.00 C ATOM 1608 O ALA B 125 16.807 -4.792 -1.176 1.00 0.00 O ATOM 1609 CB ALA B 125 18.310 -2.289 -2.781 1.00 0.00 C ATOM 0 H ALA B 125 16.396 -1.775 -4.192 1.00 0.00 H new ATOM 0 HA ALA B 125 17.623 -4.236 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA B 125 19.011 -2.682 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.837 -2.092 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.874 -1.362 -2.408 1.00 0.00 H new ATOM 1615 N LEU B 126 15.553 -2.924 -1.203 1.00 0.00 N ATOM 1616 CA LEU B 126 14.843 -3.211 0.051 1.00 0.00 C ATOM 1617 C LEU B 126 13.682 -4.216 -0.125 1.00 0.00 C ATOM 1618 O LEU B 126 13.431 -5.009 0.785 1.00 0.00 O ATOM 1619 CB LEU B 126 14.473 -1.889 0.761 1.00 0.00 C ATOM 1620 CG LEU B 126 13.171 -1.195 0.319 1.00 0.00 C ATOM 1621 CD1 LEU B 126 11.990 -1.638 1.186 1.00 0.00 C ATOM 1622 CD2 LEU B 126 13.274 0.325 0.476 1.00 0.00 C ATOM 0 H LEU B 126 15.256 -2.058 -1.652 1.00 0.00 H new ATOM 0 HA LEU B 126 15.516 -3.742 0.724 1.00 0.00 H new ATOM 0 HB2 LEU B 126 14.404 -2.087 1.831 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.295 -1.187 0.619 1.00 0.00 H new ATOM 0 HG LEU B 126 13.017 -1.471 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU B 126 11.084 -1.133 0.852 1.00 0.00 H new ATOM 0 HD12 LEU B 126 11.858 -2.716 1.097 1.00 0.00 H new ATOM 0 HD13 LEU B 126 12.186 -1.381 2.227 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.340 0.788 0.156 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.462 0.571 1.521 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.093 0.699 -0.138 1.00 0.00 H new ATOM 1634 N LEU B 127 13.012 -4.246 -1.289 1.00 0.00 N ATOM 1635 CA LEU B 127 12.080 -5.323 -1.663 1.00 0.00 C ATOM 1636 C LEU B 127 12.824 -6.648 -1.932 1.00 0.00 C ATOM 1637 O LEU B 127 12.366 -7.700 -1.485 1.00 0.00 O ATOM 1638 CB LEU B 127 11.232 -4.903 -2.883 1.00 0.00 C ATOM 1639 CG LEU B 127 9.933 -4.153 -2.534 1.00 0.00 C ATOM 1640 CD1 LEU B 127 10.108 -2.824 -1.799 1.00 0.00 C ATOM 1641 CD2 LEU B 127 9.148 -3.874 -3.814 1.00 0.00 C ATOM 0 H LEU B 127 13.102 -3.521 -2.000 1.00 0.00 H new ATOM 0 HA LEU B 127 11.409 -5.495 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.839 -4.270 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.978 -5.794 -3.457 1.00 0.00 H new ATOM 0 HG LEU B 127 9.410 -4.818 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU B 127 9.130 -2.384 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.623 -2.996 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.696 -2.143 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU B 127 8.228 -3.343 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU B 127 9.752 -3.263 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU B 127 8.903 -4.817 -4.303 1.00 0.00 H new ATOM 1653 N GLY B 128 13.974 -6.602 -2.615 1.00 0.00 N ATOM 1654 CA GLY B 128 14.907 -7.730 -2.761 1.00 0.00 C ATOM 1655 C GLY B 128 14.417 -8.765 -3.773 1.00 0.00 C ATOM 1656 O GLY B 128 13.811 -9.773 -3.397 1.00 0.00 O ATOM 0 H GLY B 128 14.291 -5.759 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY B 128 15.881 -7.354 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY B 128 15.046 -8.210 -1.793 1.00 0.00 H new ATOM 1660 N LYS B 129 14.643 -8.484 -5.063 1.00 0.00 N ATOM 1661 CA LYS B 129 14.060 -9.150 -6.255 1.00 0.00 C ATOM 1662 C LYS B 129 12.532 -9.066 -6.387 1.00 0.00 C ATOM 1663 O LYS B 129 12.022 -9.220 -7.490 1.00 0.00 O ATOM 1664 CB LYS B 129 14.550 -10.603 -6.425 1.00 0.00 C ATOM 1665 CG LYS B 129 16.076 -10.743 -6.577 1.00 0.00 C ATOM 1666 CD LYS B 129 16.805 -11.157 -5.290 1.00 0.00 C ATOM 1667 CE LYS B 129 16.511 -12.613 -4.909 1.00 0.00 C ATOM 1668 NZ LYS B 129 17.330 -13.062 -3.748 1.00 0.00 N1+ ATOM 0 H LYS B 129 15.281 -7.734 -5.329 1.00 0.00 H new ATOM 0 HA LYS B 129 14.447 -8.553 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS B 129 14.227 -11.186 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS B 129 14.068 -11.037 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS B 129 16.286 -11.480 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS B 129 16.484 -9.793 -6.922 1.00 0.00 H new ATOM 0 HD2 LYS B 129 17.879 -11.026 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS B 129 16.503 -10.500 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS B 129 15.453 -12.718 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS B 129 16.710 -13.259 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 17.101 -14.051 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 18.340 -12.986 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 17.122 -12.463 -2.924 1.00 0.00 H new ATOM 1682 N GLU B 130 11.808 -8.743 -5.316 1.00 0.00 N ATOM 1683 CA GLU B 130 10.338 -8.660 -5.268 1.00 0.00 C ATOM 1684 C GLU B 130 9.737 -7.397 -5.931 1.00 0.00 C ATOM 1685 O GLU B 130 8.533 -7.164 -5.831 1.00 0.00 O ATOM 1686 CB GLU B 130 9.880 -8.789 -3.802 1.00 0.00 C ATOM 1687 CG GLU B 130 8.621 -9.645 -3.612 1.00 0.00 C ATOM 1688 CD GLU B 130 8.816 -11.108 -4.038 1.00 0.00 C ATOM 1689 OE1 GLU B 130 7.831 -11.743 -4.486 1.00 0.00 O ATOM 1690 OE2 GLU B 130 9.951 -11.628 -3.918 1.00 0.00 O1- ATOM 0 H GLU B 130 12.241 -8.522 -4.419 1.00 0.00 H new ATOM 0 HA GLU B 130 9.956 -9.486 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU B 130 10.691 -9.220 -3.216 1.00 0.00 H new ATOM 0 HB3 GLU B 130 9.693 -7.792 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU B 130 8.323 -9.615 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU B 130 7.804 -9.211 -4.188 1.00 0.00 H new ATOM 1697 N PHE B 131 10.558 -6.570 -6.591 1.00 0.00 N ATOM 1698 CA PHE B 131 10.120 -5.367 -7.326 1.00 0.00 C ATOM 1699 C PHE B 131 9.042 -5.694 -8.390 1.00 0.00 C ATOM 1700 O PHE B 131 9.054 -6.771 -8.993 1.00 0.00 O ATOM 1701 CB PHE B 131 11.361 -4.682 -7.938 1.00 0.00 C ATOM 1702 CG PHE B 131 11.084 -3.368 -8.648 1.00 0.00 C ATOM 1703 CD1 PHE B 131 10.572 -3.376 -9.960 1.00 0.00 C ATOM 1704 CD2 PHE B 131 11.320 -2.139 -8.003 1.00 0.00 C ATOM 1705 CE1 PHE B 131 10.219 -2.176 -10.597 1.00 0.00 C ATOM 1706 CE2 PHE B 131 11.035 -0.930 -8.667 1.00 0.00 C ATOM 1707 CZ PHE B 131 10.469 -0.950 -9.957 1.00 0.00 C ATOM 0 H PHE B 131 11.566 -6.718 -6.632 1.00 0.00 H new ATOM 0 HA PHE B 131 9.640 -4.677 -6.632 1.00 0.00 H new ATOM 0 HB2 PHE B 131 12.087 -4.503 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.825 -5.369 -8.646 1.00 0.00 H new ATOM 0 HD1 PHE B 131 10.450 -4.314 -10.481 1.00 0.00 H new ATOM 0 HD2 PHE B 131 11.719 -2.123 -7.000 1.00 0.00 H new ATOM 0 HE1 PHE B 131 9.758 -2.195 -11.573 1.00 0.00 H new ATOM 0 HE2 PHE B 131 11.251 0.013 -8.187 1.00 0.00 H new ATOM 0 HZ PHE B 131 10.227 -0.022 -10.454 1.00 0.00 H new ATOM 1717 N ILE B 132 8.094 -4.777 -8.625 1.00 0.00 N ATOM 1718 CA ILE B 132 6.931 -5.005 -9.508 1.00 0.00 C ATOM 1719 C ILE B 132 7.302 -5.238 -10.992 1.00 0.00 C ATOM 1720 O ILE B 132 8.156 -4.548 -11.553 1.00 0.00 O ATOM 1721 CB ILE B 132 5.885 -3.864 -9.324 1.00 0.00 C ATOM 1722 CG1 ILE B 132 4.437 -4.376 -9.475 1.00 0.00 C ATOM 1723 CG2 ILE B 132 6.074 -2.690 -10.302 1.00 0.00 C ATOM 1724 CD1 ILE B 132 3.957 -5.223 -8.291 1.00 0.00 C ATOM 0 H ILE B 132 8.108 -3.847 -8.207 1.00 0.00 H new ATOM 0 HA ILE B 132 6.476 -5.945 -9.197 1.00 0.00 H new ATOM 0 HB ILE B 132 6.057 -3.505 -8.309 1.00 0.00 H new ATOM 0 HG12 ILE B 132 3.770 -3.522 -9.594 1.00 0.00 H new ATOM 0 HG13 ILE B 132 4.363 -4.968 -10.387 1.00 0.00 H new ATOM 0 HG21 ILE B 132 5.311 -1.934 -10.115 1.00 0.00 H new ATOM 0 HG22 ILE B 132 7.062 -2.252 -10.158 1.00 0.00 H new ATOM 0 HG23 ILE B 132 5.984 -3.052 -11.326 1.00 0.00 H new ATOM 0 HD11 ILE B 132 2.931 -5.547 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.600 -6.096 -8.184 1.00 0.00 H new ATOM 0 HD13 ILE B 132 3.997 -4.628 -7.378 1.00 0.00 H new ATOM 1993 N TRP B 156 -5.688 12.467 10.310 1.00 0.00 N ATOM 1994 CA TRP B 156 -4.797 11.343 9.983 1.00 0.00 C ATOM 1995 C TRP B 156 -5.296 10.512 8.793 1.00 0.00 C ATOM 1996 O TRP B 156 -4.495 9.910 8.077 1.00 0.00 O ATOM 1997 CB TRP B 156 -4.655 10.454 11.235 1.00 0.00 C ATOM 1998 CG TRP B 156 -5.919 9.806 11.726 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -6.688 10.266 12.740 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -6.610 8.617 11.213 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -7.805 9.463 12.878 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -7.823 8.448 11.948 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -6.346 7.673 10.196 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -8.740 7.423 11.667 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -7.250 6.636 9.901 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -8.450 6.515 10.632 1.00 0.00 C ATOM 0 HA TRP B 156 -3.831 11.751 9.685 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -3.928 9.671 11.020 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -4.243 11.060 12.042 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -6.463 11.129 13.349 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -8.528 9.605 13.583 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -5.428 7.749 9.631 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -9.653 7.333 12.236 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -7.025 5.932 9.114 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -9.147 5.724 10.397 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.617 10.476 8.578 1.00 0.00 N ATOM 2018 CA LYS B 157 -7.277 9.708 7.517 1.00 0.00 C ATOM 2019 C LYS B 157 -7.061 10.360 6.154 1.00 0.00 C ATOM 2020 O LYS B 157 -6.616 9.701 5.218 1.00 0.00 O ATOM 2021 CB LYS B 157 -8.759 9.595 7.885 1.00 0.00 C ATOM 2022 CG LYS B 157 -9.571 8.668 6.972 1.00 0.00 C ATOM 2023 CD LYS B 157 -11.004 8.491 7.506 1.00 0.00 C ATOM 2024 CE LYS B 157 -10.978 7.616 8.765 1.00 0.00 C ATOM 2025 NZ LYS B 157 -12.296 7.552 9.433 1.00 0.00 N1+ ATOM 0 H LYS B 157 -7.276 10.997 9.156 1.00 0.00 H new ATOM 0 HA LYS B 157 -6.848 8.709 7.436 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.839 9.236 8.911 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -9.204 10.590 7.860 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -9.602 9.080 5.963 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -9.081 7.697 6.904 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -11.440 9.463 7.735 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -11.633 8.031 6.744 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -10.660 6.608 8.498 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -10.239 8.009 9.463 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -12.396 6.636 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -12.370 8.321 10.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -13.050 7.654 8.724 1.00 0.00 H new ATOM 2039 N ASP B 158 -7.293 11.671 6.073 1.00 0.00 N ATOM 2040 CA ASP B 158 -6.969 12.469 4.887 1.00 0.00 C ATOM 2041 C ASP B 158 -5.459 12.521 4.620 1.00 0.00 C ATOM 2042 O ASP B 158 -5.029 12.163 3.525 1.00 0.00 O ATOM 2043 CB ASP B 158 -7.547 13.899 4.995 1.00 0.00 C ATOM 2044 CG ASP B 158 -8.861 14.101 4.222 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -9.494 13.125 3.760 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -9.249 15.272 3.997 1.00 0.00 O1- ATOM 0 H ASP B 158 -7.712 12.212 6.830 1.00 0.00 H new ATOM 0 HA ASP B 158 -7.438 11.970 4.039 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -7.716 14.134 6.046 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -6.807 14.608 4.625 1.00 0.00 H new ATOM 2051 N ASP B 159 -4.634 12.951 5.581 1.00 0.00 N ATOM 2052 CA ASP B 159 -3.226 13.277 5.283 1.00 0.00 C ATOM 2053 C ASP B 159 -2.355 12.045 4.951 1.00 0.00 C ATOM 2054 O ASP B 159 -1.329 12.190 4.283 1.00 0.00 O ATOM 2055 CB ASP B 159 -2.624 14.209 6.356 1.00 0.00 C ATOM 2056 CG ASP B 159 -2.248 13.588 7.714 1.00 0.00 C ATOM 2057 OD1 ASP B 159 -1.940 12.377 7.798 1.00 0.00 O ATOM 2058 OD2 ASP B 159 -2.176 14.351 8.709 1.00 0.00 O1- ATOM 0 H ASP B 159 -4.905 13.081 6.556 1.00 0.00 H new ATOM 0 HA ASP B 159 -3.226 13.843 4.351 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -1.728 14.668 5.937 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -3.337 15.013 6.541 1.00 0.00 H new ATOM 2063 N TYR B 160 -2.767 10.836 5.345 1.00 0.00 N ATOM 2064 CA TYR B 160 -2.125 9.576 4.949 1.00 0.00 C ATOM 2065 C TYR B 160 -2.556 9.142 3.540 1.00 0.00 C ATOM 2066 O TYR B 160 -1.717 8.984 2.649 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.447 8.517 6.013 1.00 0.00 C ATOM 2068 CG TYR B 160 -1.786 7.168 5.827 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -0.416 7.013 6.116 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -2.554 6.059 5.419 1.00 0.00 C ATOM 2071 CE1 TYR B 160 0.189 5.746 6.003 1.00 0.00 C ATOM 2072 CE2 TYR B 160 -1.956 4.787 5.319 1.00 0.00 C ATOM 2073 CZ TYR B 160 -0.582 4.627 5.609 1.00 0.00 C ATOM 2074 OH TYR B 160 -0.004 3.402 5.527 1.00 0.00 O ATOM 0 H TYR B 160 -3.570 10.702 5.959 1.00 0.00 H new ATOM 0 HA TYR B 160 -1.044 9.709 4.896 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -2.158 8.910 6.988 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.527 8.370 6.036 1.00 0.00 H new ATOM 0 HD1 TYR B 160 0.171 7.866 6.424 1.00 0.00 H new ATOM 0 HD2 TYR B 160 -3.600 6.184 5.183 1.00 0.00 H new ATOM 0 HE1 TYR B 160 1.241 5.629 6.217 1.00 0.00 H new ATOM 0 HE2 TYR B 160 -2.548 3.934 5.021 1.00 0.00 H new ATOM 0 HH TYR B 160 -0.549 2.750 6.015 1.00 0.00 H new ATOM 2084 N LEU B 161 -3.869 9.031 3.303 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.436 8.598 2.023 1.00 0.00 C ATOM 2086 C LEU B 161 -4.086 9.559 0.866 1.00 0.00 C ATOM 2087 O LEU B 161 -3.819 9.115 -0.246 1.00 0.00 O ATOM 2088 CB LEU B 161 -5.957 8.457 2.213 1.00 0.00 C ATOM 2089 CG LEU B 161 -6.717 7.921 0.987 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -6.336 6.483 0.642 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.218 7.977 1.268 1.00 0.00 C ATOM 0 H LEU B 161 -4.576 9.243 4.007 1.00 0.00 H new ATOM 0 HA LEU B 161 -4.002 7.640 1.736 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.143 7.792 3.056 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.367 9.431 2.479 1.00 0.00 H new ATOM 0 HG LEU B 161 -6.448 8.548 0.137 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -6.902 6.156 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -5.270 6.432 0.423 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -6.564 5.833 1.487 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -8.764 7.599 0.404 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -8.448 7.364 2.139 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -8.514 9.008 1.461 1.00 0.00 H new ATOM 2103 N SER B 162 -4.032 10.869 1.151 1.00 0.00 N ATOM 2104 CA SER B 162 -3.651 11.942 0.213 1.00 0.00 C ATOM 2105 C SER B 162 -2.209 11.824 -0.300 1.00 0.00 C ATOM 2106 O SER B 162 -1.905 12.261 -1.409 1.00 0.00 O ATOM 2107 CB SER B 162 -3.890 13.282 0.917 1.00 0.00 C ATOM 2108 OG SER B 162 -3.622 14.407 0.097 1.00 0.00 O ATOM 0 H SER B 162 -4.261 11.227 2.078 1.00 0.00 H new ATOM 0 HA SER B 162 -4.268 11.859 -0.682 1.00 0.00 H new ATOM 0 HB2 SER B 162 -4.926 13.327 1.254 1.00 0.00 H new ATOM 0 HB3 SER B 162 -3.262 13.333 1.807 1.00 0.00 H new ATOM 0 HG SER B 162 -3.795 15.229 0.602 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.314 11.180 0.468 1.00 0.00 N ATOM 2115 CA ARG B 163 0.028 10.777 -0.001 1.00 0.00 C ATOM 2116 C ARG B 163 -0.006 9.434 -0.732 1.00 0.00 C ATOM 2117 O ARG B 163 0.530 9.336 -1.834 1.00 0.00 O ATOM 2118 CB ARG B 163 1.005 10.749 1.192 1.00 0.00 C ATOM 2119 CG ARG B 163 1.450 12.165 1.593 1.00 0.00 C ATOM 2120 CD ARG B 163 2.302 12.172 2.871 1.00 0.00 C ATOM 2121 NE ARG B 163 1.469 11.975 4.068 1.00 0.00 N ATOM 2122 CZ ARG B 163 1.869 11.909 5.324 1.00 0.00 C ATOM 2123 NH1 ARG B 163 3.122 11.994 5.659 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 0.993 11.776 6.275 1.00 0.00 N ATOM 0 H ARG B 163 -1.500 10.922 1.437 1.00 0.00 H new ATOM 0 HA ARG B 163 0.379 11.513 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.528 10.263 2.043 1.00 0.00 H new ATOM 0 HB3 ARG B 163 1.879 10.152 0.933 1.00 0.00 H new ATOM 0 HG2 ARG B 163 2.021 12.608 0.777 1.00 0.00 H new ATOM 0 HG3 ARG B 163 0.570 12.790 1.743 1.00 0.00 H new ATOM 0 HD2 ARG B 163 3.054 11.385 2.814 1.00 0.00 H new ATOM 0 HD3 ARG B 163 2.837 13.118 2.949 1.00 0.00 H new ATOM 0 HE ARG B 163 0.466 11.878 3.909 1.00 0.00 H new ATOM 0 HH11 ARG B 163 3.835 12.116 4.940 1.00 0.00 H new ATOM 0 HH12 ARG B 163 3.392 11.939 6.641 1.00 0.00 H new ATOM 0 HH21 ARG B 163 -0.000 11.723 6.050 1.00 0.00 H new ATOM 0 HH22 ARG B 163 1.299 11.725 7.247 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.655 8.405 -0.176 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.681 7.053 -0.771 1.00 0.00 C ATOM 2140 C LEU B 164 -1.342 6.992 -2.170 1.00 0.00 C ATOM 2141 O LEU B 164 -1.029 6.099 -2.958 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.349 6.062 0.206 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.372 5.370 1.176 1.00 0.00 C ATOM 2144 CD1 LEU B 164 0.171 6.282 2.275 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -1.058 4.181 1.852 1.00 0.00 C ATOM 0 H LEU B 164 -1.177 8.480 0.697 1.00 0.00 H new ATOM 0 HA LEU B 164 0.357 6.765 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -2.102 6.595 0.786 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -1.872 5.299 -0.370 1.00 0.00 H new ATOM 0 HG LEU B 164 0.471 5.058 0.560 1.00 0.00 H new ATOM 0 HD11 LEU B 164 0.850 5.717 2.914 1.00 0.00 H new ATOM 0 HD12 LEU B 164 0.707 7.117 1.823 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.657 6.663 2.873 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -0.359 3.698 2.536 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -1.927 4.531 2.409 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -1.377 3.466 1.094 1.00 0.00 H new ATOM 2157 N SER B 165 -2.205 7.947 -2.518 1.00 0.00 N ATOM 2158 CA SER B 165 -2.786 8.095 -3.865 1.00 0.00 C ATOM 2159 C SER B 165 -1.791 8.563 -4.947 1.00 0.00 C ATOM 2160 O SER B 165 -2.056 8.359 -6.136 1.00 0.00 O ATOM 2161 CB SER B 165 -3.986 9.043 -3.776 1.00 0.00 C ATOM 2162 OG SER B 165 -3.564 10.305 -3.297 1.00 0.00 O ATOM 0 H SER B 165 -2.530 8.657 -1.862 1.00 0.00 H new ATOM 0 HA SER B 165 -3.095 7.102 -4.192 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.449 9.152 -4.757 1.00 0.00 H new ATOM 0 HB3 SER B 165 -4.742 8.626 -3.111 1.00 0.00 H new ATOM 0 HG SER B 165 -3.905 11.009 -3.887 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.637 9.144 -4.566 1.00 0.00 N ATOM 2169 CA ARG B 166 0.397 9.687 -5.475 1.00 0.00 C ATOM 2170 C ARG B 166 1.806 9.108 -5.298 1.00 0.00 C ATOM 2171 O ARG B 166 2.626 9.215 -6.210 1.00 0.00 O ATOM 2172 CB ARG B 166 0.417 11.220 -5.388 1.00 0.00 C ATOM 2173 CG ARG B 166 0.537 11.763 -3.956 1.00 0.00 C ATOM 2174 CD ARG B 166 0.613 13.289 -3.988 1.00 0.00 C ATOM 2175 NE ARG B 166 0.331 13.879 -2.673 1.00 0.00 N ATOM 2176 CZ ARG B 166 1.165 14.296 -1.746 1.00 0.00 C ATOM 2177 NH1 ARG B 166 2.455 14.143 -1.839 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 0.693 14.890 -0.694 1.00 0.00 N ATOM 0 H ARG B 166 -0.388 9.253 -3.583 1.00 0.00 H new ATOM 0 HA ARG B 166 0.101 9.365 -6.473 1.00 0.00 H new ATOM 0 HB2 ARG B 166 1.252 11.596 -5.979 1.00 0.00 H new ATOM 0 HB3 ARG B 166 -0.495 11.611 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG B 166 -0.320 11.444 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG B 166 1.426 11.355 -3.475 1.00 0.00 H new ATOM 0 HD2 ARG B 166 1.605 13.596 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG B 166 -0.099 13.673 -4.718 1.00 0.00 H new ATOM 0 HE ARG B 166 -0.658 13.980 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG B 166 2.856 13.683 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG B 166 3.064 14.483 -1.095 1.00 0.00 H new ATOM 0 HH21 ARG B 166 -0.313 15.028 -0.594 1.00 0.00 H new ATOM 0 HH22 ARG B 166 1.328 15.219 0.034 1.00 0.00 H new ATOM 2192 N LEU B 167 2.091 8.456 -4.174 1.00 0.00 N ATOM 2193 CA LEU B 167 3.225 7.523 -4.064 1.00 0.00 C ATOM 2194 C LEU B 167 3.007 6.314 -5.004 1.00 0.00 C ATOM 2195 O LEU B 167 1.874 5.856 -5.178 1.00 0.00 O ATOM 2196 CB LEU B 167 3.404 7.048 -2.608 1.00 0.00 C ATOM 2197 CG LEU B 167 4.367 7.892 -1.756 1.00 0.00 C ATOM 2198 CD1 LEU B 167 3.860 9.304 -1.474 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.580 7.189 -0.412 1.00 0.00 C ATOM 0 H LEU B 167 1.550 8.554 -3.315 1.00 0.00 H new ATOM 0 HA LEU B 167 4.134 8.045 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.428 7.040 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.763 6.019 -2.620 1.00 0.00 H new ATOM 0 HG LEU B 167 5.290 7.985 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU B 167 4.592 9.839 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU B 167 3.712 9.832 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU B 167 2.914 9.250 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.261 7.777 0.202 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.624 7.088 0.101 1.00 0.00 H new ATOM 0 HD23 LEU B 167 5.007 6.200 -0.582 1.00 0.00 H new ATOM 2211 N SER B 168 4.078 5.784 -5.591 1.00 0.00 N ATOM 2212 CA SER B 168 4.038 4.589 -6.452 1.00 0.00 C ATOM 2213 C SER B 168 3.606 3.325 -5.690 1.00 0.00 C ATOM 2214 O SER B 168 3.845 3.226 -4.486 1.00 0.00 O ATOM 2215 CB SER B 168 5.416 4.381 -7.099 1.00 0.00 C ATOM 2216 OG SER B 168 5.443 3.192 -7.875 1.00 0.00 O ATOM 0 H SER B 168 5.015 6.173 -5.485 1.00 0.00 H new ATOM 0 HA SER B 168 3.286 4.760 -7.222 1.00 0.00 H new ATOM 0 HB2 SER B 168 5.658 5.236 -7.730 1.00 0.00 H new ATOM 0 HB3 SER B 168 6.181 4.331 -6.324 1.00 0.00 H new ATOM 0 HG SER B 168 6.330 3.084 -8.277 1.00 0.00 H new ATOM 2222 N LYS B 169 3.043 2.316 -6.370 1.00 0.00 N ATOM 2223 CA LYS B 169 2.794 0.980 -5.782 1.00 0.00 C ATOM 2224 C LYS B 169 4.074 0.373 -5.175 1.00 0.00 C ATOM 2225 O LYS B 169 4.019 -0.246 -4.116 1.00 0.00 O ATOM 2226 CB LYS B 169 2.184 0.068 -6.859 1.00 0.00 C ATOM 2227 CG LYS B 169 1.941 -1.363 -6.344 1.00 0.00 C ATOM 2228 CD LYS B 169 1.119 -2.190 -7.340 1.00 0.00 C ATOM 2229 CE LYS B 169 1.059 -3.641 -6.849 1.00 0.00 C ATOM 2230 NZ LYS B 169 0.296 -4.492 -7.790 1.00 0.00 N1+ ATOM 0 H LYS B 169 2.746 2.397 -7.342 1.00 0.00 H new ATOM 0 HA LYS B 169 2.088 1.079 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.241 0.494 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS B 169 2.849 0.033 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS B 169 2.898 -1.853 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS B 169 1.420 -1.322 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS B 169 0.113 -1.781 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS B 169 1.571 -2.146 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS B 169 2.070 -4.033 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS B 169 0.594 -3.676 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 0.707 -5.447 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.696 -4.547 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.341 -4.081 -8.744 1.00 0.00 H new ATOM 2244 N ASN B 170 5.228 0.612 -5.799 1.00 0.00 N ATOM 2245 CA ASN B 170 6.537 0.226 -5.269 1.00 0.00 C ATOM 2246 C ASN B 170 6.891 0.943 -3.947 1.00 0.00 C ATOM 2247 O ASN B 170 7.444 0.329 -3.034 1.00 0.00 O ATOM 2248 CB ASN B 170 7.598 0.510 -6.346 1.00 0.00 C ATOM 2249 CG ASN B 170 7.338 -0.236 -7.643 1.00 0.00 C ATOM 2250 OD1 ASN B 170 8.021 -1.334 -7.862 1.00 0.00 O flip ATOM 2251 ND2 ASN B 170 6.532 0.156 -8.476 1.00 0.00 N flip ATOM 0 H ASN B 170 5.281 1.086 -6.700 1.00 0.00 H new ATOM 0 HA ASN B 170 6.508 -0.837 -5.028 1.00 0.00 H new ATOM 0 HB2 ASN B 170 7.626 1.581 -6.548 1.00 0.00 H new ATOM 0 HB3 ASN B 170 8.580 0.232 -5.964 1.00 0.00 H new ATOM 0 HD21 ASN B 170 5.999 1.010 -8.308 1.00 0.00 H new ATOM 0 HD22 ASN B 170 6.393 -0.371 -9.338 1.00 0.00 H new ATOM 2258 N GLN B 171 6.532 2.223 -3.818 1.00 0.00 N ATOM 2259 CA GLN B 171 6.663 2.981 -2.568 1.00 0.00 C ATOM 2260 C GLN B 171 5.658 2.518 -1.499 1.00 0.00 C ATOM 2261 O GLN B 171 6.037 2.408 -0.339 1.00 0.00 O ATOM 2262 CB GLN B 171 6.510 4.485 -2.834 1.00 0.00 C ATOM 2263 CG GLN B 171 7.706 5.088 -3.587 1.00 0.00 C ATOM 2264 CD GLN B 171 7.479 6.574 -3.845 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.608 6.962 -4.611 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.230 7.454 -3.216 1.00 0.00 N ATOM 0 H GLN B 171 6.138 2.769 -4.585 1.00 0.00 H new ATOM 0 HA GLN B 171 7.662 2.788 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.601 4.655 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.386 5.005 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.617 4.949 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN B 171 7.849 4.566 -4.533 1.00 0.00 H new ATOM 0 HE21 GLN B 171 8.958 7.138 -2.576 1.00 0.00 H new ATOM 0 HE22 GLN B 171 8.083 8.452 -3.369 1.00 0.00 H new ATOM 2275 N LEU B 172 4.409 2.187 -1.857 1.00 0.00 N ATOM 2276 CA LEU B 172 3.436 1.588 -0.928 1.00 0.00 C ATOM 2277 C LEU B 172 3.902 0.219 -0.409 1.00 0.00 C ATOM 2278 O LEU B 172 3.802 -0.038 0.789 1.00 0.00 O ATOM 2279 CB LEU B 172 2.037 1.489 -1.568 1.00 0.00 C ATOM 2280 CG LEU B 172 1.161 2.739 -1.373 1.00 0.00 C ATOM 2281 CD1 LEU B 172 1.683 3.952 -2.128 1.00 0.00 C ATOM 2282 CD2 LEU B 172 -0.273 2.467 -1.826 1.00 0.00 C ATOM 0 H LEU B 172 4.043 2.327 -2.799 1.00 0.00 H new ATOM 0 HA LEU B 172 3.367 2.254 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU B 172 2.151 1.303 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU B 172 1.518 0.627 -1.148 1.00 0.00 H new ATOM 0 HG LEU B 172 1.191 2.963 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU B 172 1.024 4.802 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU B 172 2.687 4.193 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU B 172 1.713 3.731 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -0.877 3.363 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -0.276 2.195 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -0.691 1.649 -1.240 1.00 0.00 H new ATOM 2294 N MET B 173 4.486 -0.626 -1.267 1.00 0.00 N ATOM 2295 CA MET B 173 5.152 -1.865 -0.843 1.00 0.00 C ATOM 2296 C MET B 173 6.284 -1.595 0.164 1.00 0.00 C ATOM 2297 O MET B 173 6.372 -2.282 1.183 1.00 0.00 O ATOM 2298 CB MET B 173 5.702 -2.627 -2.063 1.00 0.00 C ATOM 2299 CG MET B 173 4.616 -3.448 -2.763 1.00 0.00 C ATOM 2300 SD MET B 173 5.210 -4.679 -3.956 1.00 0.00 S ATOM 2301 CE MET B 173 5.748 -3.631 -5.328 1.00 0.00 C ATOM 0 H MET B 173 4.511 -0.471 -2.275 1.00 0.00 H new ATOM 0 HA MET B 173 4.403 -2.479 -0.343 1.00 0.00 H new ATOM 0 HB2 MET B 173 6.132 -1.918 -2.770 1.00 0.00 H new ATOM 0 HB3 MET B 173 6.508 -3.288 -1.744 1.00 0.00 H new ATOM 0 HG2 MET B 173 4.026 -3.960 -2.003 1.00 0.00 H new ATOM 0 HG3 MET B 173 3.944 -2.763 -3.279 1.00 0.00 H new ATOM 0 HE1 MET B 173 6.003 -4.255 -6.184 1.00 0.00 H new ATOM 0 HE2 MET B 173 4.943 -2.949 -5.602 1.00 0.00 H new ATOM 0 HE3 MET B 173 6.623 -3.056 -5.025 1.00 0.00 H new ATOM 2311 N ALA B 174 7.114 -0.578 -0.079 1.00 0.00 N ATOM 2312 CA ALA B 174 8.216 -0.218 0.810 1.00 0.00 C ATOM 2313 C ALA B 174 7.757 0.375 2.158 1.00 0.00 C ATOM 2314 O ALA B 174 8.177 -0.121 3.202 1.00 0.00 O ATOM 2315 CB ALA B 174 9.160 0.729 0.060 1.00 0.00 C ATOM 0 H ALA B 174 7.039 0.020 -0.902 1.00 0.00 H new ATOM 0 HA ALA B 174 8.744 -1.132 1.081 1.00 0.00 H new ATOM 0 HB1 ALA B 174 9.989 1.007 0.711 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.548 0.229 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.616 1.625 -0.237 1.00 0.00 H new ATOM 2321 N LEU B 175 6.881 1.387 2.167 1.00 0.00 N ATOM 2322 CA LEU B 175 6.449 2.082 3.393 1.00 0.00 C ATOM 2323 C LEU B 175 5.697 1.146 4.348 1.00 0.00 C ATOM 2324 O LEU B 175 5.948 1.163 5.553 1.00 0.00 O ATOM 2325 CB LEU B 175 5.670 3.376 3.046 1.00 0.00 C ATOM 2326 CG LEU B 175 4.205 3.226 2.573 1.00 0.00 C ATOM 2327 CD1 LEU B 175 3.197 3.328 3.722 1.00 0.00 C ATOM 2328 CD2 LEU B 175 3.835 4.327 1.579 1.00 0.00 C ATOM 0 H LEU B 175 6.447 1.752 1.319 1.00 0.00 H new ATOM 0 HA LEU B 175 7.337 2.395 3.943 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.674 4.017 3.928 1.00 0.00 H new ATOM 0 HB3 LEU B 175 6.222 3.902 2.267 1.00 0.00 H new ATOM 0 HG LEU B 175 4.152 2.237 2.119 1.00 0.00 H new ATOM 0 HD11 LEU B 175 2.186 3.215 3.330 1.00 0.00 H new ATOM 0 HD12 LEU B 175 3.394 2.541 4.450 1.00 0.00 H new ATOM 0 HD13 LEU B 175 3.293 4.301 4.205 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.800 4.198 1.262 1.00 0.00 H new ATOM 0 HD22 LEU B 175 3.950 5.301 2.055 1.00 0.00 H new ATOM 0 HD23 LEU B 175 4.490 4.268 0.710 1.00 0.00 H new ATOM 2340 N ALA B 176 4.827 0.289 3.804 1.00 0.00 N ATOM 2341 CA ALA B 176 4.021 -0.657 4.573 1.00 0.00 C ATOM 2342 C ALA B 176 4.868 -1.786 5.200 1.00 0.00 C ATOM 2343 O ALA B 176 4.585 -2.221 6.315 1.00 0.00 O ATOM 2344 CB ALA B 176 2.945 -1.207 3.635 1.00 0.00 C ATOM 0 H ALA B 176 4.662 0.235 2.799 1.00 0.00 H new ATOM 0 HA ALA B 176 3.563 -0.145 5.420 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.321 -1.919 4.175 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.327 -0.387 3.270 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.419 -1.707 2.791 1.00 0.00 H new ATOM 2350 N LEU B 177 5.925 -2.234 4.513 1.00 0.00 N ATOM 2351 CA LEU B 177 6.895 -3.199 5.046 1.00 0.00 C ATOM 2352 C LEU B 177 7.781 -2.540 6.112 1.00 0.00 C ATOM 2353 O LEU B 177 7.918 -3.066 7.221 1.00 0.00 O ATOM 2354 CB LEU B 177 7.701 -3.762 3.853 1.00 0.00 C ATOM 2355 CG LEU B 177 8.470 -5.087 4.051 1.00 0.00 C ATOM 2356 CD1 LEU B 177 9.613 -5.010 5.060 1.00 0.00 C ATOM 2357 CD2 LEU B 177 7.538 -6.235 4.446 1.00 0.00 C ATOM 0 H LEU B 177 6.134 -1.934 3.561 1.00 0.00 H new ATOM 0 HA LEU B 177 6.394 -4.026 5.550 1.00 0.00 H new ATOM 0 HB2 LEU B 177 7.011 -3.899 3.020 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.421 -3.002 3.549 1.00 0.00 H new ATOM 0 HG LEU B 177 8.912 -5.282 3.074 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.097 -5.984 5.136 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.340 -4.268 4.730 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.219 -4.724 6.035 1.00 0.00 H new ATOM 0 HD21 LEU B 177 8.120 -7.148 4.575 1.00 0.00 H new ATOM 0 HD22 LEU B 177 7.035 -5.990 5.381 1.00 0.00 H new ATOM 0 HD23 LEU B 177 6.795 -6.386 3.663 1.00 0.00 H new ATOM 2369 N LYS B 178 8.326 -1.352 5.822 1.00 0.00 N ATOM 2370 CA LYS B 178 9.240 -0.609 6.708 1.00 0.00 C ATOM 2371 C LYS B 178 8.579 -0.221 8.036 1.00 0.00 C ATOM 2372 O LYS B 178 9.198 -0.401 9.086 1.00 0.00 O ATOM 2373 CB LYS B 178 9.801 0.613 5.954 1.00 0.00 C ATOM 2374 CG LYS B 178 11.047 1.200 6.627 1.00 0.00 C ATOM 2375 CD LYS B 178 11.584 2.396 5.828 1.00 0.00 C ATOM 2376 CE LYS B 178 12.981 2.847 6.279 1.00 0.00 C ATOM 2377 NZ LYS B 178 13.005 3.258 7.708 1.00 0.00 N1+ ATOM 0 H LYS B 178 8.141 -0.866 4.944 1.00 0.00 H new ATOM 0 HA LYS B 178 10.069 -1.263 6.978 1.00 0.00 H new ATOM 0 HB2 LYS B 178 10.047 0.323 4.932 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.031 1.381 5.891 1.00 0.00 H new ATOM 0 HG2 LYS B 178 10.804 1.514 7.642 1.00 0.00 H new ATOM 0 HG3 LYS B 178 11.818 0.434 6.707 1.00 0.00 H new ATOM 0 HD2 LYS B 178 11.618 2.133 4.771 1.00 0.00 H new ATOM 0 HD3 LYS B 178 10.890 3.231 5.926 1.00 0.00 H new ATOM 0 HE2 LYS B 178 13.691 2.034 6.125 1.00 0.00 H new ATOM 0 HE3 LYS B 178 13.310 3.680 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 13.837 3.857 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 12.141 3.792 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 13.054 2.413 8.312 1.00 0.00 H new ATOM 2391 N LEU B 179 7.319 0.237 8.020 1.00 0.00 N ATOM 2392 CA LEU B 179 6.588 0.601 9.245 1.00 0.00 C ATOM 2393 C LEU B 179 6.264 -0.613 10.142 1.00 0.00 C ATOM 2394 O LEU B 179 6.154 -0.449 11.361 1.00 0.00 O ATOM 2395 CB LEU B 179 5.368 1.492 8.919 1.00 0.00 C ATOM 2396 CG LEU B 179 4.118 0.816 8.316 1.00 0.00 C ATOM 2397 CD1 LEU B 179 3.198 0.166 9.356 1.00 0.00 C ATOM 2398 CD2 LEU B 179 3.269 1.871 7.599 1.00 0.00 C ATOM 0 H LEU B 179 6.780 0.365 7.164 1.00 0.00 H new ATOM 0 HA LEU B 179 7.255 1.207 9.858 1.00 0.00 H new ATOM 0 HB2 LEU B 179 5.066 1.994 9.838 1.00 0.00 H new ATOM 0 HB3 LEU B 179 5.696 2.267 8.226 1.00 0.00 H new ATOM 0 HG LEU B 179 4.499 0.040 7.652 1.00 0.00 H new ATOM 0 HD11 LEU B 179 2.343 -0.287 8.853 1.00 0.00 H new ATOM 0 HD12 LEU B 179 3.748 -0.602 9.899 1.00 0.00 H new ATOM 0 HD13 LEU B 179 2.847 0.924 10.056 1.00 0.00 H new ATOM 0 HD21 LEU B 179 2.385 1.398 7.172 1.00 0.00 H new ATOM 0 HD22 LEU B 179 2.962 2.637 8.312 1.00 0.00 H new ATOM 0 HD23 LEU B 179 3.855 2.330 6.803 1.00 0.00 H new ATOM 2410 N LYS B 180 6.160 -1.829 9.577 1.00 0.00 N ATOM 2411 CA LYS B 180 6.078 -3.095 10.333 1.00 0.00 C ATOM 2412 C LYS B 180 7.440 -3.549 10.865 1.00 0.00 C ATOM 2413 O LYS B 180 7.526 -4.024 11.994 1.00 0.00 O ATOM 2414 CB LYS B 180 5.456 -4.205 9.464 1.00 0.00 C ATOM 2415 CG LYS B 180 3.938 -4.026 9.310 1.00 0.00 C ATOM 2416 CD LYS B 180 3.331 -5.216 8.554 1.00 0.00 C ATOM 2417 CE LYS B 180 1.807 -5.075 8.464 1.00 0.00 C ATOM 2418 NZ LYS B 180 1.186 -6.290 7.879 1.00 0.00 N1+ ATOM 0 H LYS B 180 6.130 -1.964 8.566 1.00 0.00 H new ATOM 0 HA LYS B 180 5.438 -2.906 11.195 1.00 0.00 H new ATOM 0 HB2 LYS B 180 5.924 -4.201 8.480 1.00 0.00 H new ATOM 0 HB3 LYS B 180 5.664 -5.177 9.912 1.00 0.00 H new ATOM 0 HG2 LYS B 180 3.475 -3.937 10.293 1.00 0.00 H new ATOM 0 HG3 LYS B 180 3.727 -3.101 8.773 1.00 0.00 H new ATOM 0 HD2 LYS B 180 3.756 -5.273 7.552 1.00 0.00 H new ATOM 0 HD3 LYS B 180 3.587 -6.146 9.062 1.00 0.00 H new ATOM 0 HE2 LYS B 180 1.397 -4.897 9.458 1.00 0.00 H new ATOM 0 HE3 LYS B 180 1.555 -4.206 7.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 0.296 -6.499 8.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 0.990 -6.128 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 1.836 -7.095 7.980 1.00 0.00 H new ATOM 2432 N GLN B 181 8.509 -3.365 10.090 1.00 0.00 N ATOM 2433 CA GLN B 181 9.861 -3.794 10.460 1.00 0.00 C ATOM 2434 C GLN B 181 10.444 -2.980 11.631 1.00 0.00 C ATOM 2435 O GLN B 181 11.177 -3.525 12.458 1.00 0.00 O ATOM 2436 CB GLN B 181 10.757 -3.728 9.209 1.00 0.00 C ATOM 2437 CG GLN B 181 12.136 -4.370 9.440 1.00 0.00 C ATOM 2438 CD GLN B 181 12.827 -4.780 8.145 1.00 0.00 C ATOM 2439 OE1 GLN B 181 13.172 -5.938 7.931 1.00 0.00 O ATOM 2440 NE2 GLN B 181 13.029 -3.876 7.209 1.00 0.00 N ATOM 0 H GLN B 181 8.462 -2.910 9.178 1.00 0.00 H new ATOM 0 HA GLN B 181 9.816 -4.821 10.822 1.00 0.00 H new ATOM 0 HB2 GLN B 181 10.258 -4.233 8.381 1.00 0.00 H new ATOM 0 HB3 GLN B 181 10.889 -2.687 8.914 1.00 0.00 H new ATOM 0 HG2 GLN B 181 12.772 -3.667 9.978 1.00 0.00 H new ATOM 0 HG3 GLN B 181 12.020 -5.247 10.077 1.00 0.00 H new ATOM 0 HE21 GLN B 181 12.750 -2.908 7.366 1.00 0.00 H new ATOM 0 HE22 GLN B 181 13.465 -4.144 6.327 1.00 0.00 H new ATOM 2449 N GLN B 182 10.088 -1.697 11.738 1.00 0.00 N ATOM 2450 CA GLN B 182 10.496 -0.827 12.850 1.00 0.00 C ATOM 2451 C GLN B 182 9.632 -0.997 14.115 1.00 0.00 C ATOM 2452 O GLN B 182 10.165 -0.892 15.219 1.00 0.00 O ATOM 2453 CB GLN B 182 10.552 0.632 12.352 1.00 0.00 C ATOM 2454 CG GLN B 182 9.188 1.245 11.982 1.00 0.00 C ATOM 2455 CD GLN B 182 8.396 1.831 13.156 1.00 0.00 C ATOM 2456 OE1 GLN B 182 8.924 2.220 14.192 1.00 0.00 O ATOM 2457 NE2 GLN B 182 7.085 1.901 13.045 1.00 0.00 N ATOM 0 H GLN B 182 9.502 -1.226 11.049 1.00 0.00 H new ATOM 0 HA GLN B 182 11.493 -1.130 13.172 1.00 0.00 H new ATOM 0 HB2 GLN B 182 11.012 1.247 13.125 1.00 0.00 H new ATOM 0 HB3 GLN B 182 11.203 0.678 11.479 1.00 0.00 H new ATOM 0 HG2 GLN B 182 9.349 2.031 11.245 1.00 0.00 H new ATOM 0 HG3 GLN B 182 8.581 0.477 11.502 1.00 0.00 H new ATOM 0 HE21 GLN B 182 6.628 1.582 12.191 1.00 0.00 H new ATOM 0 HE22 GLN B 182 6.527 2.274 13.813 1.00 0.00 H new