USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 719 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 13 SER OG : rot -132:sc= 0.124 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 1.07 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -0.379 K(o=-3.2,f=-31!) USER MOD Set 2.2: A 49 SER OG : rot 75:sc= -0.48! USER MOD Set 2.3: A 86 SER OG : rot -164:sc= 0.24 USER MOD Set 2.4: A 91 HIS : no HE2:sc= -2.57! C(o=-3.2!,f=-29!) USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= -0.497 (180deg=-1.68!) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.806 (180deg=-0.281!) USER MOD Single : A 12 CYS SG : rot -97:sc= -3.09! USER MOD Single : A 18 LYS NZ :NH3+ -113:sc= -0.349 (180deg=-1.19) USER MOD Single : A 19 LYS NZ :NH3+ -136:sc= 0.403 (180deg=-3.14!) USER MOD Single : A 20 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.16) USER MOD Single : A 27 GLN : amide:sc= -7.17! C(o=-7.2!,f=-13!) USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= 0.726 (180deg=-0.206) USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= -0.0925 (180deg=-0.7) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= 0.314 (180deg=-0.101) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 0.715 (180deg=-0.433!) USER MOD Single : A 44 SER OG : rot 124:sc= -4.62! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= -0.0797 (180deg=-0.562) USER MOD Single : A 64 MET CE :methyl -137:sc= -3.31 (180deg=-9.44!) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0.196 (180deg=-0.824!) USER MOD Single : A 76 GLN :FLIP amide:sc= -1.08! C(o=-2.1!,f=-1.1!) USER MOD Single : A 81 SER OG : rot -95:sc= 0.349 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= 0.414 (180deg=-0.271!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 148:sc= 0.567! (180deg=-1.09!) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -11.685 9.186 -0.886 1.00 0.00 N ATOM 97 CA LYS A 9 -10.632 8.488 -0.193 1.00 0.00 C ATOM 98 C LYS A 9 -10.369 7.156 -0.849 1.00 0.00 C ATOM 99 O LYS A 9 -11.245 6.598 -1.523 1.00 0.00 O ATOM 100 CB LYS A 9 -11.033 8.284 1.259 1.00 0.00 C ATOM 101 CG LYS A 9 -11.065 9.644 1.964 1.00 0.00 C ATOM 102 CD LYS A 9 -11.623 9.482 3.370 1.00 0.00 C ATOM 103 CE LYS A 9 -13.155 9.433 3.309 1.00 0.00 C ATOM 104 NZ LYS A 9 -13.674 10.562 2.499 1.00 0.00 N ATOM 0 HA LYS A 9 -9.719 9.082 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.012 7.807 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.326 7.619 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.061 10.065 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.680 10.343 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.237 8.569 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.300 10.311 3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.478 8.487 2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.568 9.480 4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.629 10.814 2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.044 11.383 2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.714 10.282 1.498 1.00 0.00 H new ATOM 118 N ILE A 10 -9.186 6.636 -0.634 1.00 0.00 N ATOM 119 CA ILE A 10 -8.811 5.366 -1.199 1.00 0.00 C ATOM 120 C ILE A 10 -8.800 4.315 -0.118 1.00 0.00 C ATOM 121 O ILE A 10 -8.170 4.500 0.923 1.00 0.00 O ATOM 122 CB ILE A 10 -7.413 5.451 -1.827 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.360 6.598 -2.840 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.089 4.128 -2.539 1.00 0.00 C ATOM 125 CD1 ILE A 10 -8.373 6.356 -3.958 1.00 0.00 C ATOM 0 H ILE A 10 -8.462 7.078 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.535 5.101 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.681 5.635 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.575 7.544 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.357 6.678 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.096 4.188 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.114 3.311 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.827 3.945 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.328 7.177 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.139 5.420 -4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.376 6.299 -3.534 1.00 0.00 H new ATOM 137 N LYS A 11 -9.460 3.209 -0.381 1.00 0.00 N ATOM 138 CA LYS A 11 -9.440 2.080 0.522 1.00 0.00 C ATOM 139 C LYS A 11 -8.288 1.185 0.104 1.00 0.00 C ATOM 140 O LYS A 11 -8.353 0.540 -0.943 1.00 0.00 O ATOM 141 CB LYS A 11 -10.750 1.304 0.379 1.00 0.00 C ATOM 142 CG LYS A 11 -11.941 2.166 0.842 1.00 0.00 C ATOM 143 CD LYS A 11 -13.254 1.432 0.521 1.00 0.00 C ATOM 144 CE LYS A 11 -13.376 0.154 1.374 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.639 -0.549 1.043 1.00 0.00 N ATOM 0 H LYS A 11 -10.022 3.067 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.324 2.409 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.891 1.006 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.704 0.389 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.871 2.359 1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.920 3.134 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.102 2.089 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.285 1.175 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.525 -0.501 1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.357 0.409 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.585 -1.534 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.435 -0.071 1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.784 -0.536 0.013 1.00 0.00 H new ATOM 159 N CYS A 12 -7.197 1.215 0.844 1.00 0.00 N ATOM 160 CA CYS A 12 -6.013 0.477 0.420 1.00 0.00 C ATOM 161 C CYS A 12 -5.214 -0.110 1.569 1.00 0.00 C ATOM 162 O CYS A 12 -5.381 0.273 2.737 1.00 0.00 O ATOM 163 CB CYS A 12 -5.115 1.355 -0.478 1.00 0.00 C ATOM 164 SG CYS A 12 -3.503 1.620 0.309 1.00 0.00 S ATOM 0 H CYS A 12 -7.100 1.727 1.721 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.379 -0.373 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.979 0.876 -1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.600 2.314 -0.662 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.507 2.760 0.934 1.00 0.00 H new ATOM 170 N SER A 13 -4.273 -0.953 1.199 1.00 0.00 N ATOM 171 CA SER A 13 -3.323 -1.534 2.110 1.00 0.00 C ATOM 172 C SER A 13 -1.921 -1.276 1.588 1.00 0.00 C ATOM 173 O SER A 13 -1.704 -1.263 0.368 1.00 0.00 O ATOM 174 CB SER A 13 -3.564 -3.046 2.232 1.00 0.00 C ATOM 175 OG SER A 13 -4.959 -3.304 2.456 1.00 0.00 O ATOM 0 H SER A 13 -4.149 -1.257 0.233 1.00 0.00 H new ATOM 0 HA SER A 13 -3.440 -1.083 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.234 -3.550 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.974 -3.452 3.054 1.00 0.00 H new ATOM 0 HG SER A 13 -5.060 -3.938 3.197 1.00 0.00 H new ATOM 181 N HIS A 14 -0.974 -1.075 2.489 1.00 0.00 N ATOM 182 CA HIS A 14 0.396 -0.814 2.092 1.00 0.00 C ATOM 183 C HIS A 14 1.379 -1.630 2.909 1.00 0.00 C ATOM 184 O HIS A 14 1.138 -1.923 4.084 1.00 0.00 O ATOM 185 CB HIS A 14 0.723 0.692 2.178 1.00 0.00 C ATOM 186 CG HIS A 14 1.408 1.037 3.483 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.623 1.696 3.517 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.060 0.824 4.795 1.00 0.00 C ATOM 189 CE1 HIS A 14 2.963 1.861 4.813 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.045 1.348 5.635 1.00 0.00 N ATOM 0 H HIS A 14 -1.130 -1.088 3.497 1.00 0.00 H new ATOM 0 HA HIS A 14 0.498 -1.123 1.052 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.365 0.974 1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.196 1.271 2.084 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.161 0.327 5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.868 2.349 5.144 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.060 1.340 6.655 1.00 0.00 H new ATOM 198 N ILE A 15 2.486 -1.959 2.288 1.00 0.00 N ATOM 199 CA ILE A 15 3.570 -2.673 2.927 1.00 0.00 C ATOM 200 C ILE A 15 4.871 -1.937 2.673 1.00 0.00 C ATOM 201 O ILE A 15 5.219 -1.675 1.519 1.00 0.00 O ATOM 202 CB ILE A 15 3.647 -4.109 2.381 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.381 -4.870 2.768 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.861 -4.841 2.963 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.299 -6.173 1.974 1.00 0.00 C ATOM 0 H ILE A 15 2.664 -1.736 1.309 1.00 0.00 H new ATOM 0 HA ILE A 15 3.393 -2.724 4.001 1.00 0.00 H new ATOM 0 HB ILE A 15 3.742 -4.062 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.386 -5.084 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.502 -4.257 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.899 -5.855 2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.772 -4.309 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.776 -4.880 4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.394 -6.713 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.273 -5.948 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.171 -6.789 2.194 1.00 0.00 H new ATOM 217 N LEU A 16 5.610 -1.656 3.731 1.00 0.00 N ATOM 218 CA LEU A 16 6.908 -1.024 3.590 1.00 0.00 C ATOM 219 C LEU A 16 7.996 -2.061 3.564 1.00 0.00 C ATOM 220 O LEU A 16 8.105 -2.882 4.484 1.00 0.00 O ATOM 221 CB LEU A 16 7.176 -0.008 4.714 1.00 0.00 C ATOM 222 CG LEU A 16 6.620 1.365 4.319 1.00 0.00 C ATOM 223 CD1 LEU A 16 6.649 2.304 5.528 1.00 0.00 C ATOM 224 CD2 LEU A 16 7.503 1.962 3.213 1.00 0.00 C ATOM 0 H LEU A 16 5.335 -1.855 4.693 1.00 0.00 H new ATOM 0 HA LEU A 16 6.904 -0.481 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.711 -0.346 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.247 0.064 4.903 1.00 0.00 H new ATOM 0 HG LEU A 16 5.594 1.251 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.253 3.278 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.039 1.885 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.676 2.418 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.115 2.939 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.523 2.071 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.498 1.300 2.347 1.00 0.00 H new ATOM 236 N VAL A 17 8.840 -1.972 2.562 1.00 0.00 N ATOM 237 CA VAL A 17 9.973 -2.859 2.429 1.00 0.00 C ATOM 238 C VAL A 17 11.241 -2.048 2.282 1.00 0.00 C ATOM 239 O VAL A 17 11.197 -0.861 1.934 1.00 0.00 O ATOM 240 CB VAL A 17 9.788 -3.797 1.225 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.560 -4.691 1.452 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.577 -2.971 -0.047 1.00 0.00 C ATOM 0 H VAL A 17 8.760 -1.282 1.815 1.00 0.00 H new ATOM 0 HA VAL A 17 10.048 -3.474 3.326 1.00 0.00 H new ATOM 0 HB VAL A 17 10.679 -4.416 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.431 -5.355 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.704 -5.285 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.673 -4.068 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.446 -3.640 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.689 -2.350 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.446 -2.335 -0.216 1.00 0.00 H new ATOM 252 N LYS A 18 12.346 -2.641 2.659 1.00 0.00 N ATOM 253 CA LYS A 18 13.616 -1.954 2.643 1.00 0.00 C ATOM 254 C LYS A 18 14.047 -1.621 1.225 1.00 0.00 C ATOM 255 O LYS A 18 14.670 -0.588 0.987 1.00 0.00 O ATOM 256 CB LYS A 18 14.683 -2.797 3.325 1.00 0.00 C ATOM 257 CG LYS A 18 14.313 -2.983 4.799 1.00 0.00 C ATOM 258 CD LYS A 18 15.388 -3.821 5.488 1.00 0.00 C ATOM 259 CE LYS A 18 14.799 -4.501 6.721 1.00 0.00 C ATOM 260 NZ LYS A 18 13.755 -5.465 6.282 1.00 0.00 N ATOM 0 H LYS A 18 12.393 -3.607 2.984 1.00 0.00 H new ATOM 0 HA LYS A 18 13.494 -1.019 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.766 -3.766 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.656 -2.312 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.223 -2.013 5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.343 -3.474 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.776 -4.570 4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.227 -3.188 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.581 -5.018 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.369 -3.758 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.822 -5.137 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.759 -5.532 5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.953 -6.401 6.690 1.00 0.00 H new ATOM 274 N LYS A 19 13.829 -2.559 0.310 1.00 0.00 N ATOM 275 CA LYS A 19 14.318 -2.403 -1.058 1.00 0.00 C ATOM 276 C LYS A 19 13.202 -2.458 -2.083 1.00 0.00 C ATOM 277 O LYS A 19 12.203 -3.164 -1.908 1.00 0.00 O ATOM 278 CB LYS A 19 15.362 -3.466 -1.392 1.00 0.00 C ATOM 279 CG LYS A 19 16.607 -3.281 -0.519 1.00 0.00 C ATOM 280 CD LYS A 19 17.686 -4.296 -0.937 1.00 0.00 C ATOM 281 CE LYS A 19 17.336 -5.694 -0.416 1.00 0.00 C ATOM 282 NZ LYS A 19 17.234 -5.656 1.064 1.00 0.00 N ATOM 0 H LYS A 19 13.323 -3.427 0.486 1.00 0.00 H new ATOM 0 HA LYS A 19 14.774 -1.414 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.943 -4.460 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.635 -3.399 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.989 -2.265 -0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.351 -3.419 0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.773 -4.317 -2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 19 18.655 -3.987 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.393 -6.030 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.100 -6.410 -0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.720 -6.483 1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.678 -4.786 1.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.232 -5.673 1.343 1.00 0.00 H new ATOM 296 N GLN A 20 13.431 -1.793 -3.201 1.00 0.00 N ATOM 297 CA GLN A 20 12.499 -1.816 -4.309 1.00 0.00 C ATOM 298 C GLN A 20 12.343 -3.249 -4.814 1.00 0.00 C ATOM 299 O GLN A 20 11.236 -3.711 -5.064 1.00 0.00 O ATOM 300 CB GLN A 20 13.020 -0.902 -5.430 1.00 0.00 C ATOM 301 CG GLN A 20 12.008 -0.804 -6.574 1.00 0.00 C ATOM 302 CD GLN A 20 12.475 0.239 -7.585 1.00 0.00 C ATOM 303 OE1 GLN A 20 13.645 0.251 -7.973 1.00 0.00 O ATOM 304 NE2 GLN A 20 11.641 1.131 -8.021 1.00 0.00 N ATOM 0 H GLN A 20 14.263 -1.226 -3.364 1.00 0.00 H new ATOM 0 HA GLN A 20 11.524 -1.453 -3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.219 0.092 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 20 13.966 -1.289 -5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.900 -1.773 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.028 -0.532 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.672 1.123 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.954 1.841 -8.684 1.00 0.00 H new ATOM 313 N GLY A 21 13.453 -3.971 -4.882 1.00 0.00 N ATOM 314 CA GLY A 21 13.425 -5.359 -5.327 1.00 0.00 C ATOM 315 C GLY A 21 12.567 -6.204 -4.409 1.00 0.00 C ATOM 316 O GLY A 21 11.786 -7.046 -4.871 1.00 0.00 O ATOM 0 H GLY A 21 14.379 -3.622 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.037 -5.411 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.439 -5.757 -5.352 1.00 0.00 H new ATOM 320 N GLU A 22 12.621 -5.898 -3.122 1.00 0.00 N ATOM 321 CA GLU A 22 11.769 -6.565 -2.155 1.00 0.00 C ATOM 322 C GLU A 22 10.320 -6.238 -2.470 1.00 0.00 C ATOM 323 O GLU A 22 9.449 -7.117 -2.483 1.00 0.00 O ATOM 324 CB GLU A 22 12.099 -6.073 -0.746 1.00 0.00 C ATOM 325 CG GLU A 22 13.494 -6.565 -0.320 1.00 0.00 C ATOM 326 CD GLU A 22 13.891 -5.948 1.020 1.00 0.00 C ATOM 327 OE1 GLU A 22 13.142 -5.142 1.536 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.946 -6.293 1.512 1.00 0.00 O ATOM 0 H GLU A 22 13.244 -5.194 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 22 11.932 -7.641 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.066 -4.984 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.348 -6.434 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.495 -7.652 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.228 -6.300 -1.081 1.00 0.00 H new ATOM 335 N ALA A 23 10.085 -4.974 -2.796 1.00 0.00 N ATOM 336 CA ALA A 23 8.761 -4.524 -3.183 1.00 0.00 C ATOM 337 C ALA A 23 8.283 -5.302 -4.393 1.00 0.00 C ATOM 338 O ALA A 23 7.184 -5.858 -4.395 1.00 0.00 O ATOM 339 CB ALA A 23 8.774 -3.024 -3.499 1.00 0.00 C ATOM 0 H ALA A 23 10.797 -4.244 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 23 8.078 -4.699 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.773 -2.704 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.092 -2.469 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.467 -2.831 -4.318 1.00 0.00 H new ATOM 345 N LEU A 24 9.144 -5.405 -5.392 1.00 0.00 N ATOM 346 CA LEU A 24 8.805 -6.149 -6.596 1.00 0.00 C ATOM 347 C LEU A 24 8.544 -7.599 -6.254 1.00 0.00 C ATOM 348 O LEU A 24 7.591 -8.208 -6.755 1.00 0.00 O ATOM 349 CB LEU A 24 9.934 -6.059 -7.640 1.00 0.00 C ATOM 350 CG LEU A 24 9.822 -4.768 -8.475 1.00 0.00 C ATOM 351 CD1 LEU A 24 8.499 -4.737 -9.237 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.926 -3.540 -7.581 1.00 0.00 C ATOM 0 H LEU A 24 10.075 -4.988 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 24 7.904 -5.707 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.901 -6.087 -7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.893 -6.926 -8.299 1.00 0.00 H new ATOM 0 HG LEU A 24 10.645 -4.756 -9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.437 -3.819 -9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.444 -5.596 -9.905 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.671 -4.774 -8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.845 -2.639 -8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.121 -3.556 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.887 -3.545 -7.067 1.00 0.00 H new ATOM 364 N ALA A 25 9.375 -8.149 -5.382 1.00 0.00 N ATOM 365 CA ALA A 25 9.226 -9.534 -4.985 1.00 0.00 C ATOM 366 C ALA A 25 7.836 -9.783 -4.430 1.00 0.00 C ATOM 367 O ALA A 25 7.133 -10.689 -4.886 1.00 0.00 O ATOM 368 CB ALA A 25 10.283 -9.913 -3.938 1.00 0.00 C ATOM 0 H ALA A 25 10.153 -7.659 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 25 9.368 -10.157 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.154 -10.957 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.279 -9.772 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.167 -9.280 -3.058 1.00 0.00 H new ATOM 374 N VAL A 26 7.418 -8.967 -3.470 1.00 0.00 N ATOM 375 CA VAL A 26 6.088 -9.121 -2.904 1.00 0.00 C ATOM 376 C VAL A 26 5.015 -8.748 -3.910 1.00 0.00 C ATOM 377 O VAL A 26 3.997 -9.422 -4.014 1.00 0.00 O ATOM 378 CB VAL A 26 5.925 -8.344 -1.596 1.00 0.00 C ATOM 379 CG1 VAL A 26 7.005 -8.774 -0.608 1.00 0.00 C ATOM 380 CG2 VAL A 26 6.043 -6.843 -1.852 1.00 0.00 C ATOM 0 H VAL A 26 7.970 -8.206 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 26 5.964 -10.176 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 26 4.940 -8.557 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.888 -8.220 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.912 -9.842 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.988 -8.568 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.925 -6.303 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.022 -6.622 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.266 -6.531 -2.550 1.00 0.00 H new ATOM 390 N GLN A 27 5.258 -7.698 -4.682 1.00 0.00 N ATOM 391 CA GLN A 27 4.298 -7.282 -5.691 1.00 0.00 C ATOM 392 C GLN A 27 3.999 -8.443 -6.610 1.00 0.00 C ATOM 393 O GLN A 27 2.836 -8.777 -6.838 1.00 0.00 O ATOM 394 CB GLN A 27 4.855 -6.102 -6.495 1.00 0.00 C ATOM 395 CG GLN A 27 4.824 -4.829 -5.642 1.00 0.00 C ATOM 396 CD GLN A 27 5.647 -3.734 -6.308 1.00 0.00 C ATOM 397 OE1 GLN A 27 6.862 -3.825 -6.370 1.00 0.00 O ATOM 398 NE2 GLN A 27 5.063 -2.714 -6.823 1.00 0.00 N ATOM 0 H GLN A 27 6.101 -7.126 -4.630 1.00 0.00 H new ATOM 0 HA GLN A 27 3.377 -6.964 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.877 -6.315 -6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.266 -5.958 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.795 -4.494 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.219 -5.038 -4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.048 -2.630 -6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.614 -1.987 -7.280 1.00 0.00 H new ATOM 407 N GLU A 28 5.043 -9.123 -7.047 1.00 0.00 N ATOM 408 CA GLU A 28 4.872 -10.312 -7.852 1.00 0.00 C ATOM 409 C GLU A 28 4.328 -11.485 -7.044 1.00 0.00 C ATOM 410 O GLU A 28 3.488 -12.243 -7.525 1.00 0.00 O ATOM 411 CB GLU A 28 6.133 -10.652 -8.632 1.00 0.00 C ATOM 412 CG GLU A 28 6.332 -9.544 -9.672 1.00 0.00 C ATOM 413 CD GLU A 28 5.117 -9.490 -10.581 1.00 0.00 C ATOM 414 OE1 GLU A 28 4.827 -10.489 -11.205 1.00 0.00 O ATOM 415 OE2 GLU A 28 4.464 -8.465 -10.611 1.00 0.00 O ATOM 0 H GLU A 28 6.013 -8.872 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 28 4.107 -10.091 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.993 -10.714 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.036 -11.623 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.473 -8.584 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.231 -9.735 -10.258 1.00 0.00 H new ATOM 422 N ARG A 29 4.737 -11.577 -5.796 1.00 0.00 N ATOM 423 CA ARG A 29 4.223 -12.612 -4.913 1.00 0.00 C ATOM 424 C ARG A 29 2.707 -12.469 -4.765 1.00 0.00 C ATOM 425 O ARG A 29 1.975 -13.457 -4.765 1.00 0.00 O ATOM 426 CB ARG A 29 4.902 -12.552 -3.548 1.00 0.00 C ATOM 427 CG ARG A 29 4.401 -13.711 -2.691 1.00 0.00 C ATOM 428 CD ARG A 29 5.084 -13.671 -1.331 1.00 0.00 C ATOM 429 NE ARG A 29 4.549 -14.720 -0.481 1.00 0.00 N ATOM 430 CZ ARG A 29 4.735 -14.711 0.825 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.538 -13.842 1.348 1.00 0.00 N ATOM 432 NH2 ARG A 29 4.138 -15.584 1.577 1.00 0.00 N ATOM 0 H ARG A 29 5.421 -10.952 -5.368 1.00 0.00 H new ATOM 0 HA ARG A 29 4.444 -13.583 -5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.984 -12.610 -3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.684 -11.602 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.320 -13.646 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.609 -14.659 -3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.160 -13.800 -1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.929 -12.698 -0.865 1.00 0.00 H new ATOM 0 HE ARG A 29 4.017 -15.481 -0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.022 -13.171 0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.687 -13.828 2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.522 -16.281 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.285 -15.573 2.586 1.00 0.00 H new ATOM 446 N LEU A 30 2.243 -11.235 -4.711 1.00 0.00 N ATOM 447 CA LEU A 30 0.816 -10.961 -4.621 1.00 0.00 C ATOM 448 C LEU A 30 0.112 -11.535 -5.828 1.00 0.00 C ATOM 449 O LEU A 30 -1.021 -12.026 -5.729 1.00 0.00 O ATOM 450 CB LEU A 30 0.556 -9.440 -4.523 1.00 0.00 C ATOM 451 CG LEU A 30 0.494 -8.966 -3.053 1.00 0.00 C ATOM 452 CD1 LEU A 30 -0.939 -9.096 -2.544 1.00 0.00 C ATOM 453 CD2 LEU A 30 1.422 -9.794 -2.152 1.00 0.00 C ATOM 0 H LEU A 30 2.833 -10.403 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 30 0.425 -11.431 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.346 -8.901 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.381 -9.198 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 30 0.823 -7.927 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.989 -8.763 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.599 -8.480 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.254 -10.138 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.352 -9.432 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.124 -10.842 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.450 -9.697 -2.501 1.00 0.00 H new ATOM 465 N LYS A 31 0.794 -11.497 -6.957 1.00 0.00 N ATOM 466 CA LYS A 31 0.257 -12.032 -8.190 1.00 0.00 C ATOM 467 C LYS A 31 0.035 -13.527 -8.006 1.00 0.00 C ATOM 468 O LYS A 31 -0.919 -14.100 -8.536 1.00 0.00 O ATOM 469 CB LYS A 31 1.240 -11.809 -9.340 1.00 0.00 C ATOM 470 CG LYS A 31 1.765 -10.360 -9.338 1.00 0.00 C ATOM 471 CD LYS A 31 0.630 -9.343 -9.414 1.00 0.00 C ATOM 472 CE LYS A 31 1.233 -7.927 -9.430 1.00 0.00 C ATOM 473 NZ LYS A 31 2.082 -7.748 -10.637 1.00 0.00 N ATOM 0 H LYS A 31 1.728 -11.097 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.680 -11.529 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.075 -12.503 -9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.750 -12.022 -10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.348 -10.186 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.438 -10.217 -10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.034 -9.509 -10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.038 -9.459 -8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.436 -7.184 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.827 -7.766 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.001 -6.768 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.073 -7.951 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.766 -8.400 -11.383 1.00 0.00 H new ATOM 487 N ALA A 32 0.909 -14.147 -7.206 1.00 0.00 N ATOM 488 CA ALA A 32 0.810 -15.566 -6.906 1.00 0.00 C ATOM 489 C ALA A 32 -0.516 -15.875 -6.240 1.00 0.00 C ATOM 490 O ALA A 32 -1.010 -17.000 -6.320 1.00 0.00 O ATOM 491 CB ALA A 32 1.963 -16.011 -6.008 1.00 0.00 C ATOM 0 H ALA A 32 1.695 -13.678 -6.756 1.00 0.00 H new ATOM 0 HA ALA A 32 0.870 -16.116 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.869 -17.076 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.911 -15.824 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.933 -15.451 -5.073 1.00 0.00 H new ATOM 497 N GLY A 33 -1.097 -14.872 -5.598 1.00 0.00 N ATOM 498 CA GLY A 33 -2.384 -15.026 -4.927 1.00 0.00 C ATOM 499 C GLY A 33 -2.240 -15.005 -3.413 1.00 0.00 C ATOM 500 O GLY A 33 -3.241 -15.023 -2.689 1.00 0.00 O ATOM 0 H GLY A 33 -0.696 -13.937 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.054 -14.225 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.844 -15.965 -5.235 1.00 0.00 H new ATOM 504 N GLU A 34 -1.007 -14.909 -2.929 1.00 0.00 N ATOM 505 CA GLU A 34 -0.785 -14.814 -1.491 1.00 0.00 C ATOM 506 C GLU A 34 -1.314 -13.489 -0.977 1.00 0.00 C ATOM 507 O GLU A 34 -1.357 -12.501 -1.719 1.00 0.00 O ATOM 508 CB GLU A 34 0.693 -14.963 -1.142 1.00 0.00 C ATOM 509 CG GLU A 34 1.200 -16.323 -1.625 1.00 0.00 C ATOM 510 CD GLU A 34 2.446 -16.699 -0.866 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.354 -16.899 0.327 1.00 0.00 O ATOM 512 OE2 GLU A 34 3.483 -16.762 -1.469 1.00 0.00 O ATOM 0 H GLU A 34 -0.161 -14.895 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.322 -15.631 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.269 -14.163 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.834 -14.873 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.431 -17.081 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.411 -16.285 -2.694 1.00 0.00 H new ATOM 519 N LYS A 35 -1.809 -13.483 0.247 1.00 0.00 N ATOM 520 CA LYS A 35 -2.453 -12.302 0.780 1.00 0.00 C ATOM 521 C LYS A 35 -1.495 -11.176 1.066 1.00 0.00 C ATOM 522 O LYS A 35 -0.433 -11.359 1.676 1.00 0.00 O ATOM 523 CB LYS A 35 -3.290 -12.624 2.008 1.00 0.00 C ATOM 524 CG LYS A 35 -4.496 -13.441 1.565 1.00 0.00 C ATOM 525 CD LYS A 35 -5.362 -13.796 2.772 1.00 0.00 C ATOM 526 CE LYS A 35 -6.592 -14.571 2.292 1.00 0.00 C ATOM 527 NZ LYS A 35 -6.150 -15.799 1.573 1.00 0.00 N ATOM 0 H LYS A 35 -1.777 -14.278 0.885 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.118 -11.951 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.699 -13.182 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.613 -11.706 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.082 -12.875 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.165 -14.351 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.792 -14.396 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.668 -12.890 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.221 -14.839 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.195 -13.947 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.932 -16.484 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.870 -15.551 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.339 -16.220 2.070 1.00 0.00 H new ATOM 541 N PHE A 36 -1.953 -9.998 0.730 1.00 0.00 N ATOM 542 CA PHE A 36 -1.240 -8.775 0.966 1.00 0.00 C ATOM 543 C PHE A 36 -0.972 -8.654 2.455 1.00 0.00 C ATOM 544 O PHE A 36 0.149 -8.396 2.884 1.00 0.00 O ATOM 545 CB PHE A 36 -2.130 -7.621 0.504 1.00 0.00 C ATOM 546 CG PHE A 36 -1.364 -6.326 0.508 1.00 0.00 C ATOM 547 CD1 PHE A 36 -0.624 -5.954 -0.620 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.401 -5.496 1.628 1.00 0.00 C ATOM 549 CE1 PHE A 36 0.077 -4.750 -0.626 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.697 -4.293 1.624 1.00 0.00 C ATOM 551 CZ PHE A 36 0.042 -3.919 0.495 1.00 0.00 C ATOM 0 H PHE A 36 -2.855 -9.862 0.273 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.293 -8.757 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.506 -7.824 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.997 -7.539 1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.596 -6.600 -1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.974 -5.785 2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.647 -4.460 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.721 -3.650 2.491 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.586 -2.986 0.492 1.00 0.00 H new ATOM 561 N GLY A 37 -2.001 -8.919 3.238 1.00 0.00 N ATOM 562 CA GLY A 37 -1.888 -8.882 4.679 1.00 0.00 C ATOM 563 C GLY A 37 -0.893 -9.917 5.181 1.00 0.00 C ATOM 564 O GLY A 37 -0.156 -9.666 6.138 1.00 0.00 O ATOM 0 H GLY A 37 -2.930 -9.164 2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.573 -7.888 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.864 -9.065 5.128 1.00 0.00 H new ATOM 568 N LYS A 38 -0.848 -11.072 4.521 1.00 0.00 N ATOM 569 CA LYS A 38 0.087 -12.111 4.928 1.00 0.00 C ATOM 570 C LYS A 38 1.490 -11.545 4.813 1.00 0.00 C ATOM 571 O LYS A 38 2.250 -11.532 5.778 1.00 0.00 O ATOM 572 CB LYS A 38 -0.045 -13.339 4.002 1.00 0.00 C ATOM 573 CG LYS A 38 0.812 -14.502 4.531 1.00 0.00 C ATOM 574 CD LYS A 38 0.709 -15.694 3.560 1.00 0.00 C ATOM 575 CE LYS A 38 1.435 -16.927 4.126 1.00 0.00 C ATOM 576 NZ LYS A 38 2.572 -16.509 4.998 1.00 0.00 N ATOM 0 H LYS A 38 -1.435 -11.307 3.720 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.124 -12.423 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.089 -13.646 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.270 -13.077 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.851 -14.188 4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.472 -14.797 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.339 -15.934 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.142 -15.422 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.736 -17.538 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.804 -17.546 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.243 -17.298 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.056 -15.694 4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.211 -16.244 5.936 1.00 0.00 H new ATOM 590 N LEU A 39 1.759 -10.918 3.676 1.00 0.00 N ATOM 591 CA LEU A 39 3.027 -10.241 3.458 1.00 0.00 C ATOM 592 C LEU A 39 3.205 -9.119 4.452 1.00 0.00 C ATOM 593 O LEU A 39 4.304 -8.916 4.990 1.00 0.00 O ATOM 594 CB LEU A 39 3.103 -9.677 2.031 1.00 0.00 C ATOM 595 CG LEU A 39 3.638 -10.744 1.061 1.00 0.00 C ATOM 596 CD1 LEU A 39 5.126 -10.971 1.328 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.872 -12.066 1.233 1.00 0.00 C ATOM 0 H LEU A 39 1.113 -10.865 2.889 1.00 0.00 H new ATOM 0 HA LEU A 39 3.825 -10.971 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.115 -9.347 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.752 -8.802 2.013 1.00 0.00 H new ATOM 0 HG LEU A 39 3.496 -10.393 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.508 -11.727 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.669 -10.038 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.264 -11.310 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.266 -12.808 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.993 -12.426 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.814 -11.903 1.029 1.00 0.00 H new ATOM 609 N ALA A 40 2.127 -8.394 4.707 1.00 0.00 N ATOM 610 CA ALA A 40 2.180 -7.287 5.628 1.00 0.00 C ATOM 611 C ALA A 40 2.690 -7.769 6.961 1.00 0.00 C ATOM 612 O ALA A 40 3.625 -7.186 7.534 1.00 0.00 O ATOM 613 CB ALA A 40 0.807 -6.649 5.791 1.00 0.00 C ATOM 0 H ALA A 40 1.212 -8.557 4.287 1.00 0.00 H new ATOM 0 HA ALA A 40 2.857 -6.531 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.874 -5.816 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.458 -6.284 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.105 -7.390 6.174 1.00 0.00 H new ATOM 619 N LYS A 41 2.152 -8.890 7.400 1.00 0.00 N ATOM 620 CA LYS A 41 2.629 -9.549 8.602 1.00 0.00 C ATOM 621 C LYS A 41 4.051 -10.049 8.408 1.00 0.00 C ATOM 622 O LYS A 41 4.843 -10.072 9.355 1.00 0.00 O ATOM 623 CB LYS A 41 1.712 -10.718 9.001 1.00 0.00 C ATOM 624 CG LYS A 41 0.341 -10.196 9.473 1.00 0.00 C ATOM 625 CD LYS A 41 0.509 -9.380 10.770 1.00 0.00 C ATOM 626 CE LYS A 41 -0.853 -9.234 11.479 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.450 -7.924 11.148 1.00 0.00 N ATOM 0 H LYS A 41 1.378 -9.367 6.938 1.00 0.00 H new ATOM 0 HA LYS A 41 2.616 -8.815 9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.579 -11.389 8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.179 -11.299 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.108 -9.575 8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.337 -11.032 9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.222 -9.874 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.917 -8.395 10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.522 -10.037 11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.724 -9.323 12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.180 -7.688 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.710 -7.193 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.881 -7.968 10.202 1.00 0.00 H new ATOM 641 N GLU A 42 4.345 -10.559 7.220 1.00 0.00 N ATOM 642 CA GLU A 42 5.629 -11.202 6.991 1.00 0.00 C ATOM 643 C GLU A 42 6.819 -10.239 6.982 1.00 0.00 C ATOM 644 O GLU A 42 7.837 -10.536 7.613 1.00 0.00 O ATOM 645 CB GLU A 42 5.643 -11.983 5.673 1.00 0.00 C ATOM 646 CG GLU A 42 4.780 -13.257 5.733 1.00 0.00 C ATOM 647 CD GLU A 42 4.912 -14.023 4.422 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.850 -13.760 3.704 1.00 0.00 O ATOM 649 OE2 GLU A 42 4.086 -14.866 4.150 1.00 0.00 O ATOM 0 H GLU A 42 3.722 -10.541 6.412 1.00 0.00 H new ATOM 0 HA GLU A 42 5.745 -11.875 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.281 -11.341 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.669 -12.255 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.096 -13.884 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.737 -12.994 5.910 1.00 0.00 H new ATOM 656 N LEU A 43 6.782 -9.187 6.155 1.00 0.00 N ATOM 657 CA LEU A 43 8.010 -8.383 5.968 1.00 0.00 C ATOM 658 C LEU A 43 7.912 -6.891 6.250 1.00 0.00 C ATOM 659 O LEU A 43 8.949 -6.218 6.295 1.00 0.00 O ATOM 660 CB LEU A 43 8.674 -8.639 4.599 1.00 0.00 C ATOM 661 CG LEU A 43 7.675 -8.492 3.424 1.00 0.00 C ATOM 662 CD1 LEU A 43 6.792 -7.255 3.594 1.00 0.00 C ATOM 663 CD2 LEU A 43 8.454 -8.360 2.119 1.00 0.00 C ATOM 0 H LEU A 43 5.966 -8.879 5.627 1.00 0.00 H new ATOM 0 HA LEU A 43 8.652 -8.758 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.499 -7.940 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.101 -9.642 4.587 1.00 0.00 H new ATOM 0 HG LEU A 43 7.037 -9.376 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.103 -7.182 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.225 -7.337 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.418 -6.363 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.757 -8.256 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.096 -7.480 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.067 -9.249 1.970 1.00 0.00 H new ATOM 675 N SER A 44 6.717 -6.332 6.297 1.00 0.00 N ATOM 676 CA SER A 44 6.611 -4.883 6.388 1.00 0.00 C ATOM 677 C SER A 44 7.512 -4.329 7.488 1.00 0.00 C ATOM 678 O SER A 44 7.383 -4.709 8.655 1.00 0.00 O ATOM 679 CB SER A 44 5.176 -4.481 6.668 1.00 0.00 C ATOM 680 OG SER A 44 4.314 -5.384 6.014 1.00 0.00 O ATOM 0 H SER A 44 5.831 -6.837 6.275 1.00 0.00 H new ATOM 0 HA SER A 44 6.932 -4.467 5.433 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.985 -4.487 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.994 -3.465 6.318 1.00 0.00 H new ATOM 0 HG SER A 44 3.707 -5.789 6.668 1.00 0.00 H new ATOM 686 N ILE A 45 8.343 -3.359 7.139 1.00 0.00 N ATOM 687 CA ILE A 45 9.167 -2.700 8.138 1.00 0.00 C ATOM 688 C ILE A 45 8.316 -1.725 8.928 1.00 0.00 C ATOM 689 O ILE A 45 8.661 -1.337 10.048 1.00 0.00 O ATOM 690 CB ILE A 45 10.387 -2.006 7.498 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.939 -0.977 6.459 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.288 -3.043 6.824 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.166 -0.223 5.930 1.00 0.00 C ATOM 0 H ILE A 45 8.464 -3.015 6.186 1.00 0.00 H new ATOM 0 HA ILE A 45 9.564 -3.451 8.821 1.00 0.00 H new ATOM 0 HB ILE A 45 10.941 -1.497 8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.421 -1.474 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.232 -0.277 6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.146 -2.543 6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.634 -3.762 7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.726 -3.564 6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.850 0.511 5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.664 0.285 6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.856 -0.929 5.469 1.00 0.00 H new ATOM 705 N ASP A 46 7.132 -1.448 8.395 1.00 0.00 N ATOM 706 CA ASP A 46 6.136 -0.661 9.096 1.00 0.00 C ATOM 707 C ASP A 46 5.318 -1.592 9.969 1.00 0.00 C ATOM 708 O ASP A 46 4.344 -2.200 9.509 1.00 0.00 O ATOM 709 CB ASP A 46 5.214 0.049 8.085 1.00 0.00 C ATOM 710 CG ASP A 46 4.195 0.948 8.781 1.00 0.00 C ATOM 711 OD1 ASP A 46 4.027 0.833 9.982 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.576 1.739 8.100 1.00 0.00 O ATOM 0 H ASP A 46 6.840 -1.763 7.470 1.00 0.00 H new ATOM 0 HA ASP A 46 6.626 0.096 9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.817 0.645 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.691 -0.696 7.484 1.00 0.00 H new ATOM 717 N GLY A 47 5.745 -1.742 11.208 1.00 0.00 N ATOM 718 CA GLY A 47 5.075 -2.628 12.140 1.00 0.00 C ATOM 719 C GLY A 47 3.666 -2.152 12.397 1.00 0.00 C ATOM 720 O GLY A 47 2.719 -2.934 12.354 1.00 0.00 O ATOM 0 H GLY A 47 6.557 -1.259 11.594 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.056 -3.641 11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.629 -2.667 13.078 1.00 0.00 H new ATOM 724 N GLY A 48 3.511 -0.850 12.569 1.00 0.00 N ATOM 725 CA GLY A 48 2.196 -0.283 12.807 1.00 0.00 C ATOM 726 C GLY A 48 1.250 -0.690 11.699 1.00 0.00 C ATOM 727 O GLY A 48 0.172 -1.238 11.956 1.00 0.00 O ATOM 0 H GLY A 48 4.272 -0.172 12.549 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.812 -0.625 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.263 0.804 12.858 1.00 0.00 H new ATOM 731 N SER A 49 1.689 -0.535 10.468 1.00 0.00 N ATOM 732 CA SER A 49 0.902 -0.988 9.337 1.00 0.00 C ATOM 733 C SER A 49 0.755 -2.509 9.368 1.00 0.00 C ATOM 734 O SER A 49 -0.296 -3.052 9.011 1.00 0.00 O ATOM 735 CB SER A 49 1.527 -0.524 8.026 1.00 0.00 C ATOM 736 OG SER A 49 1.330 0.889 7.892 1.00 0.00 O ATOM 0 H SER A 49 2.580 -0.102 10.224 1.00 0.00 H new ATOM 0 HA SER A 49 -0.093 -0.548 9.406 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.591 -0.759 8.012 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.073 -1.049 7.186 1.00 0.00 H new ATOM 0 HG SER A 49 1.942 1.363 8.493 1.00 0.00 H new ATOM 742 N ALA A 50 1.787 -3.189 9.859 1.00 0.00 N ATOM 743 CA ALA A 50 1.766 -4.640 9.971 1.00 0.00 C ATOM 744 C ALA A 50 0.670 -5.086 10.923 1.00 0.00 C ATOM 745 O ALA A 50 0.064 -6.148 10.738 1.00 0.00 O ATOM 746 CB ALA A 50 3.123 -5.173 10.441 1.00 0.00 C ATOM 0 H ALA A 50 2.650 -2.755 10.186 1.00 0.00 H new ATOM 0 HA ALA A 50 1.560 -5.050 8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.081 -6.260 10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.894 -4.889 9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.362 -4.750 11.417 1.00 0.00 H new ATOM 752 N LYS A 51 0.369 -4.245 11.903 1.00 0.00 N ATOM 753 CA LYS A 51 -0.671 -4.552 12.868 1.00 0.00 C ATOM 754 C LYS A 51 -1.985 -4.698 12.140 1.00 0.00 C ATOM 755 O LYS A 51 -2.773 -5.596 12.428 1.00 0.00 O ATOM 756 CB LYS A 51 -0.803 -3.424 13.899 1.00 0.00 C ATOM 757 CG LYS A 51 0.494 -3.265 14.715 1.00 0.00 C ATOM 758 CD LYS A 51 0.765 -4.525 15.548 1.00 0.00 C ATOM 759 CE LYS A 51 2.031 -4.302 16.394 1.00 0.00 C ATOM 760 NZ LYS A 51 1.646 -4.059 17.807 1.00 0.00 N ATOM 0 H LYS A 51 0.831 -3.347 12.048 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.410 -5.476 13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.034 -2.488 13.391 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.635 -3.636 14.570 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.332 -3.079 14.043 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.413 -2.399 15.372 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.086 -4.740 16.194 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.896 -5.388 14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.683 -5.173 16.328 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.594 -3.452 16.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.501 -3.908 18.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.040 -3.216 17.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.126 -4.883 18.172 1.00 0.00 H new ATOM 774 N ARG A 52 -2.189 -3.830 11.166 1.00 0.00 N ATOM 775 CA ARG A 52 -3.393 -3.833 10.357 1.00 0.00 C ATOM 776 C ARG A 52 -3.178 -4.573 9.043 1.00 0.00 C ATOM 777 O ARG A 52 -3.910 -4.358 8.071 1.00 0.00 O ATOM 778 CB ARG A 52 -3.867 -2.408 10.084 1.00 0.00 C ATOM 779 CG ARG A 52 -4.399 -1.767 11.372 1.00 0.00 C ATOM 780 CD ARG A 52 -4.871 -0.347 11.053 1.00 0.00 C ATOM 781 NE ARG A 52 -5.941 -0.415 10.059 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.486 0.665 9.510 1.00 0.00 C ATOM 783 NH1 ARG A 52 -6.117 1.857 9.904 1.00 0.00 N ATOM 784 NH2 ARG A 52 -7.398 0.525 8.586 1.00 0.00 N ATOM 0 H ARG A 52 -1.522 -3.101 10.913 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.164 -4.358 10.921 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.044 -1.814 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.649 -2.417 9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.222 -2.357 11.776 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.619 -1.744 12.133 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.228 0.144 11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.041 0.250 10.673 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.284 -1.332 9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.411 1.957 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.536 2.686 9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.686 -0.408 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.822 1.349 8.159 1.00 0.00 H new ATOM 798 N ASP A 53 -2.154 -5.410 8.998 1.00 0.00 N ATOM 799 CA ASP A 53 -1.835 -6.184 7.799 1.00 0.00 C ATOM 800 C ASP A 53 -1.578 -5.252 6.638 1.00 0.00 C ATOM 801 O ASP A 53 -1.934 -5.551 5.493 1.00 0.00 O ATOM 802 CB ASP A 53 -2.996 -7.103 7.420 1.00 0.00 C ATOM 803 CG ASP A 53 -3.402 -7.971 8.578 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.546 -8.611 9.132 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.567 -7.979 8.907 1.00 0.00 O ATOM 0 H ASP A 53 -1.523 -5.575 9.782 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.949 -6.782 8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.847 -6.504 7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.707 -7.730 6.576 1.00 0.00 H new ATOM 810 N GLY A 54 -1.049 -4.091 6.934 1.00 0.00 N ATOM 811 CA GLY A 54 -0.802 -3.096 5.914 1.00 0.00 C ATOM 812 C GLY A 54 -2.098 -2.440 5.459 1.00 0.00 C ATOM 813 O GLY A 54 -2.072 -1.392 4.824 1.00 0.00 O ATOM 0 H GLY A 54 -0.779 -3.809 7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.123 -2.336 6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.308 -3.561 5.061 1.00 0.00 H new ATOM 817 N SER A 55 -3.236 -3.039 5.803 1.00 0.00 N ATOM 818 CA SER A 55 -4.510 -2.472 5.395 1.00 0.00 C ATOM 819 C SER A 55 -4.791 -1.172 6.119 1.00 0.00 C ATOM 820 O SER A 55 -5.412 -1.142 7.182 1.00 0.00 O ATOM 821 CB SER A 55 -5.652 -3.470 5.559 1.00 0.00 C ATOM 822 OG SER A 55 -5.577 -4.436 4.501 1.00 0.00 O ATOM 0 H SER A 55 -3.299 -3.897 6.351 1.00 0.00 H new ATOM 0 HA SER A 55 -4.440 -2.244 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.584 -3.965 6.528 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.611 -2.954 5.531 1.00 0.00 H new ATOM 0 HG SER A 55 -6.306 -5.084 4.597 1.00 0.00 H new ATOM 828 N LEU A 56 -4.357 -0.099 5.493 1.00 0.00 N ATOM 829 CA LEU A 56 -4.560 1.240 5.977 1.00 0.00 C ATOM 830 C LEU A 56 -6.039 1.535 6.016 1.00 0.00 C ATOM 831 O LEU A 56 -6.528 2.227 6.913 1.00 0.00 O ATOM 832 CB LEU A 56 -3.851 2.230 5.044 1.00 0.00 C ATOM 833 CG LEU A 56 -2.327 2.035 5.140 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.623 2.949 4.139 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.838 2.356 6.559 1.00 0.00 C ATOM 0 H LEU A 56 -3.842 -0.140 4.614 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.148 1.339 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.183 2.078 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.114 3.252 5.315 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.093 0.996 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.545 2.806 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.954 2.706 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.867 3.988 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.759 2.214 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.080 3.391 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.327 1.692 7.271 1.00 0.00 H new ATOM 847 N GLY A 57 -6.744 1.053 5.011 1.00 0.00 N ATOM 848 CA GLY A 57 -8.170 1.280 4.912 1.00 0.00 C ATOM 849 C GLY A 57 -8.438 2.475 4.041 1.00 0.00 C ATOM 850 O GLY A 57 -7.733 2.698 3.053 1.00 0.00 O ATOM 0 H GLY A 57 -6.350 0.500 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.659 0.399 4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.591 1.440 5.904 1.00 0.00 H new ATOM 854 N TYR A 58 -9.458 3.234 4.392 1.00 0.00 N ATOM 855 CA TYR A 58 -9.817 4.410 3.629 1.00 0.00 C ATOM 856 C TYR A 58 -8.997 5.615 4.073 1.00 0.00 C ATOM 857 O TYR A 58 -8.871 5.883 5.269 1.00 0.00 O ATOM 858 CB TYR A 58 -11.335 4.697 3.743 1.00 0.00 C ATOM 859 CG TYR A 58 -11.685 5.412 5.048 1.00 0.00 C ATOM 860 CD1 TYR A 58 -11.261 4.902 6.289 1.00 0.00 C ATOM 861 CD2 TYR A 58 -12.441 6.586 5.010 1.00 0.00 C ATOM 862 CE1 TYR A 58 -11.597 5.569 7.472 1.00 0.00 C ATOM 863 CE2 TYR A 58 -12.776 7.248 6.195 1.00 0.00 C ATOM 864 CZ TYR A 58 -12.354 6.739 7.423 1.00 0.00 C ATOM 865 OH TYR A 58 -12.688 7.393 8.589 1.00 0.00 O ATOM 0 H TYR A 58 -10.052 3.056 5.202 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.589 4.218 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.653 5.308 2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -11.887 3.759 3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.676 3.995 6.328 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -12.768 6.984 4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.270 5.177 8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.362 8.154 6.159 1.00 0.00 H new ATOM 0 HH TYR A 58 -13.216 8.191 8.377 1.00 0.00 H new ATOM 875 N PHE A 59 -8.415 6.318 3.116 1.00 0.00 N ATOM 876 CA PHE A 59 -7.603 7.492 3.422 1.00 0.00 C ATOM 877 C PHE A 59 -7.749 8.562 2.358 1.00 0.00 C ATOM 878 O PHE A 59 -8.076 8.267 1.201 1.00 0.00 O ATOM 879 CB PHE A 59 -6.128 7.114 3.616 1.00 0.00 C ATOM 880 CG PHE A 59 -5.607 6.403 2.391 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.100 7.132 1.310 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.628 5.004 2.343 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.618 6.460 0.184 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.147 4.337 1.219 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.641 5.061 0.139 1.00 0.00 C ATOM 0 H PHE A 59 -8.487 6.100 2.122 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.972 7.904 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.537 8.010 3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.021 6.472 4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.081 8.211 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.018 4.441 3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.227 7.020 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.166 3.258 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.267 4.542 -0.731 1.00 0.00 H new ATOM 895 N GLY A 60 -7.545 9.802 2.768 1.00 0.00 N ATOM 896 CA GLY A 60 -7.680 10.950 1.887 1.00 0.00 C ATOM 897 C GLY A 60 -6.331 11.346 1.304 1.00 0.00 C ATOM 898 O GLY A 60 -5.330 10.657 1.508 1.00 0.00 O ATOM 0 H GLY A 60 -7.280 10.042 3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.375 10.715 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.103 11.789 2.439 1.00 0.00 H new ATOM 902 N ARG A 61 -6.304 12.464 0.593 1.00 0.00 N ATOM 903 CA ARG A 61 -5.086 12.964 -0.021 1.00 0.00 C ATOM 904 C ARG A 61 -4.264 13.724 1.005 1.00 0.00 C ATOM 905 O ARG A 61 -4.809 14.276 1.961 1.00 0.00 O ATOM 906 CB ARG A 61 -5.435 13.906 -1.172 1.00 0.00 C ATOM 907 CG ARG A 61 -6.269 13.171 -2.227 1.00 0.00 C ATOM 908 CD ARG A 61 -6.505 14.109 -3.415 1.00 0.00 C ATOM 909 NE ARG A 61 -7.191 15.319 -2.968 1.00 0.00 N ATOM 910 CZ ARG A 61 -8.518 15.421 -2.899 1.00 0.00 C ATOM 911 NH1 ARG A 61 -9.280 14.433 -3.299 1.00 0.00 N ATOM 912 NH2 ARG A 61 -9.052 16.518 -2.451 1.00 0.00 N ATOM 0 H ARG A 61 -7.124 13.047 0.427 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.511 12.118 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.990 14.764 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.522 14.292 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.752 12.270 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.221 12.855 -1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.553 14.370 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.100 13.603 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.627 16.124 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.858 13.580 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.295 14.517 -3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.456 17.292 -2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.067 16.605 -2.395 1.00 0.00 H new ATOM 926 N GLY A 62 -2.973 13.791 0.789 1.00 0.00 N ATOM 927 CA GLY A 62 -2.097 14.564 1.656 1.00 0.00 C ATOM 928 C GLY A 62 -1.523 13.702 2.756 1.00 0.00 C ATOM 929 O GLY A 62 -0.342 13.820 3.105 1.00 0.00 O ATOM 0 H GLY A 62 -2.498 13.320 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.287 14.996 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.652 15.394 2.092 1.00 0.00 H new ATOM 933 N LYS A 63 -2.336 12.798 3.266 1.00 0.00 N ATOM 934 CA LYS A 63 -1.891 11.872 4.289 1.00 0.00 C ATOM 935 C LYS A 63 -0.791 10.990 3.729 1.00 0.00 C ATOM 936 O LYS A 63 0.166 10.620 4.432 1.00 0.00 O ATOM 937 CB LYS A 63 -3.072 11.017 4.784 1.00 0.00 C ATOM 938 CG LYS A 63 -2.622 10.103 5.936 1.00 0.00 C ATOM 939 CD LYS A 63 -2.218 10.954 7.152 1.00 0.00 C ATOM 940 CE LYS A 63 -2.002 10.045 8.365 1.00 0.00 C ATOM 941 NZ LYS A 63 -3.292 9.465 8.791 1.00 0.00 N ATOM 0 H LYS A 63 -3.311 12.685 2.988 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.498 12.433 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.883 11.664 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.463 10.415 3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.429 9.423 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.781 9.488 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.306 11.509 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.994 11.689 7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.300 9.250 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.560 10.614 9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.233 9.185 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.046 10.171 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.506 8.630 8.210 1.00 0.00 H new ATOM 955 N MET A 64 -0.940 10.646 2.466 1.00 0.00 N ATOM 956 CA MET A 64 0.006 9.795 1.774 1.00 0.00 C ATOM 957 C MET A 64 0.857 10.644 0.842 1.00 0.00 C ATOM 958 O MET A 64 0.427 11.717 0.415 1.00 0.00 O ATOM 959 CB MET A 64 -0.746 8.739 0.950 1.00 0.00 C ATOM 960 CG MET A 64 -2.101 8.427 1.605 1.00 0.00 C ATOM 961 SD MET A 64 -1.855 7.899 3.320 1.00 0.00 S ATOM 962 CE MET A 64 -2.081 6.123 3.050 1.00 0.00 C ATOM 0 H MET A 64 -1.724 10.950 1.888 1.00 0.00 H new ATOM 0 HA MET A 64 0.641 9.296 2.506 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.899 9.101 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.150 7.829 0.878 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.740 9.310 1.576 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.613 7.644 1.045 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.698 5.709 3.847 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.571 5.960 2.090 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.110 5.629 3.050 1.00 0.00 H new ATOM 972 N VAL A 65 2.049 10.167 0.519 1.00 0.00 N ATOM 973 CA VAL A 65 2.926 10.897 -0.388 1.00 0.00 C ATOM 974 C VAL A 65 2.417 10.791 -1.823 1.00 0.00 C ATOM 975 O VAL A 65 1.687 9.854 -2.164 1.00 0.00 O ATOM 976 CB VAL A 65 4.383 10.407 -0.263 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.895 10.703 1.152 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.465 8.898 -0.515 1.00 0.00 C ATOM 0 H VAL A 65 2.430 9.287 0.866 1.00 0.00 H new ATOM 0 HA VAL A 65 2.915 11.950 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 65 4.992 10.925 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.925 10.358 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.853 11.776 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.271 10.185 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.500 8.569 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.851 8.373 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.102 8.676 -1.519 1.00 0.00 H new ATOM 988 N LYS A 66 2.758 11.773 -2.645 1.00 0.00 N ATOM 989 CA LYS A 66 2.260 11.836 -4.015 1.00 0.00 C ATOM 990 C LYS A 66 2.311 10.477 -4.718 1.00 0.00 C ATOM 991 O LYS A 66 1.297 10.012 -5.231 1.00 0.00 O ATOM 992 CB LYS A 66 3.013 12.898 -4.832 1.00 0.00 C ATOM 993 CG LYS A 66 2.410 14.285 -4.555 1.00 0.00 C ATOM 994 CD LYS A 66 1.090 14.446 -5.336 1.00 0.00 C ATOM 995 CE LYS A 66 0.197 15.488 -4.653 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.090 15.063 -3.257 1.00 0.00 N ATOM 0 H LYS A 66 3.379 12.540 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 66 1.211 12.127 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.071 12.891 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.947 12.667 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.228 14.406 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.114 15.063 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.300 14.752 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.571 13.489 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.690 16.460 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.734 15.603 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.850 15.654 -2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.388 14.067 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.767 15.171 -2.678 1.00 0.00 H new ATOM 1010 N PRO A 67 3.451 9.834 -4.772 1.00 0.00 N ATOM 1011 CA PRO A 67 3.536 8.514 -5.478 1.00 0.00 C ATOM 1012 C PRO A 67 2.597 7.490 -4.843 1.00 0.00 C ATOM 1013 O PRO A 67 1.956 6.690 -5.540 1.00 0.00 O ATOM 1014 CB PRO A 67 5.003 8.096 -5.299 1.00 0.00 C ATOM 1015 CG PRO A 67 5.462 8.827 -4.083 1.00 0.00 C ATOM 1016 CD PRO A 67 4.734 10.171 -4.111 1.00 0.00 C ATOM 0 HA PRO A 67 3.240 8.579 -6.525 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.094 7.017 -5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.600 8.364 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.222 8.270 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.543 8.967 -4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.580 10.569 -3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.292 10.922 -4.670 1.00 0.00 H new ATOM 1024 N PHE A 68 2.451 7.588 -3.528 1.00 0.00 N ATOM 1025 CA PHE A 68 1.514 6.745 -2.793 1.00 0.00 C ATOM 1026 C PHE A 68 0.100 7.045 -3.265 1.00 0.00 C ATOM 1027 O PHE A 68 -0.680 6.143 -3.577 1.00 0.00 O ATOM 1028 CB PHE A 68 1.629 6.998 -1.282 1.00 0.00 C ATOM 1029 CG PHE A 68 0.898 5.919 -0.507 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.504 5.863 -0.517 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.628 4.969 0.221 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.165 4.863 0.201 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.963 3.971 0.937 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.433 3.916 0.929 1.00 0.00 C ATOM 0 H PHE A 68 2.971 8.245 -2.946 1.00 0.00 H new ATOM 0 HA PHE A 68 1.751 5.698 -2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.679 7.017 -0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.212 7.975 -1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.071 6.591 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.707 5.009 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.244 4.820 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.528 3.241 1.497 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.947 3.145 1.483 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.205 8.336 -3.356 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.507 8.789 -3.821 1.00 0.00 C ATOM 1046 C GLU A 69 -1.718 8.351 -5.253 1.00 0.00 C ATOM 1047 O GLU A 69 -2.807 7.900 -5.628 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.587 10.323 -3.763 1.00 0.00 C ATOM 1049 CG GLU A 69 -1.612 10.819 -2.305 1.00 0.00 C ATOM 1050 CD GLU A 69 -1.576 12.344 -2.266 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.375 12.952 -3.304 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -1.765 12.890 -1.208 1.00 0.00 O ATOM 0 H GLU A 69 0.438 9.089 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.274 8.356 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.732 10.755 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.483 10.664 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.510 10.456 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.759 10.414 -1.761 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.670 8.475 -6.050 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.751 8.116 -7.443 1.00 0.00 C ATOM 1061 C ASP A 70 -1.209 6.695 -7.575 1.00 0.00 C ATOM 1062 O ASP A 70 -2.197 6.408 -8.253 1.00 0.00 O ATOM 1063 CB ASP A 70 0.616 8.262 -8.110 1.00 0.00 C ATOM 1064 CG ASP A 70 0.548 7.764 -9.540 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.136 8.381 -10.328 1.00 0.00 O ATOM 1066 OD2 ASP A 70 1.178 6.764 -9.830 1.00 0.00 O ATOM 0 H ASP A 70 0.242 8.821 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.463 8.782 -7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.929 9.306 -8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.364 7.697 -7.554 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.554 5.817 -6.847 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.931 4.418 -6.836 1.00 0.00 C ATOM 1073 C ALA A 71 -2.327 4.249 -6.263 1.00 0.00 C ATOM 1074 O ALA A 71 -3.125 3.452 -6.765 1.00 0.00 O ATOM 1075 CB ALA A 71 0.068 3.611 -6.007 1.00 0.00 C ATOM 0 H ALA A 71 0.243 6.046 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.925 4.051 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.225 2.561 -6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.063 3.709 -6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.079 3.986 -4.984 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.615 4.997 -5.207 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.902 4.900 -4.534 1.00 0.00 C ATOM 1083 C ALA A 72 -5.049 5.184 -5.497 1.00 0.00 C ATOM 1084 O ALA A 72 -5.993 4.400 -5.597 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.953 5.866 -3.348 1.00 0.00 C ATOM 0 H ALA A 72 -1.975 5.678 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.015 3.880 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.921 5.784 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.162 5.616 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.813 6.887 -3.704 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.958 6.288 -6.218 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.999 6.643 -7.187 1.00 0.00 C ATOM 1093 C PHE A 73 -6.023 5.664 -8.359 1.00 0.00 C ATOM 1094 O PHE A 73 -7.087 5.335 -8.892 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.815 8.081 -7.692 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.189 9.048 -6.592 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.535 9.282 -6.297 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.193 9.700 -5.860 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -7.879 10.166 -5.275 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.540 10.583 -4.841 1.00 0.00 C ATOM 1101 CZ PHE A 73 -6.886 10.816 -4.546 1.00 0.00 C ATOM 0 H PHE A 73 -4.186 6.952 -6.158 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.959 6.580 -6.674 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.781 8.242 -7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.437 8.253 -8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.307 8.779 -6.860 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.152 9.519 -6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.919 10.347 -5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.769 11.088 -4.278 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.156 11.499 -3.754 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.845 5.252 -8.783 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.688 4.356 -9.927 1.00 0.00 C ATOM 1113 C ARG A 74 -5.305 2.986 -9.695 1.00 0.00 C ATOM 1114 O ARG A 74 -5.772 2.353 -10.645 1.00 0.00 O ATOM 1115 CB ARG A 74 -3.202 4.204 -10.265 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.687 5.501 -10.894 1.00 0.00 C ATOM 1117 CD ARG A 74 -1.162 5.453 -11.002 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.708 4.367 -11.861 1.00 0.00 N ATOM 1119 CZ ARG A 74 0.586 4.024 -11.904 1.00 0.00 C ATOM 1120 NH1 ARG A 74 1.467 4.704 -11.207 1.00 0.00 N ATOM 1121 NH2 ARG A 74 0.970 3.026 -12.654 1.00 0.00 N ATOM 0 H ARG A 74 -3.964 5.526 -8.348 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.222 4.809 -10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.635 3.974 -9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.058 3.371 -10.953 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.127 5.637 -11.882 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.991 6.355 -10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.797 6.402 -11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.732 5.332 -10.008 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.383 3.863 -12.436 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.165 5.492 -10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.453 4.444 -11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.285 2.509 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.955 2.763 -12.688 1.00 0.00 H new ATOM 1135 N LEU A 75 -5.130 2.446 -8.501 1.00 0.00 N ATOM 1136 CA LEU A 75 -5.518 1.059 -8.256 1.00 0.00 C ATOM 1137 C LEU A 75 -6.869 0.900 -7.603 1.00 0.00 C ATOM 1138 O LEU A 75 -7.154 -0.157 -7.040 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.465 0.297 -7.476 1.00 0.00 C ATOM 1140 CG LEU A 75 -3.098 0.490 -8.127 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -2.072 -0.253 -7.309 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -3.088 -0.038 -9.575 1.00 0.00 C ATOM 0 H LEU A 75 -4.730 2.931 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.601 0.623 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.439 0.647 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.717 -0.763 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.867 1.555 -8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.087 -0.127 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.060 0.143 -6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.326 -1.313 -7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.101 0.114 -10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.325 -1.102 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.831 0.500 -10.164 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.738 1.876 -7.745 1.00 0.00 N ATOM 1155 CA GLN A 76 -9.085 1.725 -7.217 1.00 0.00 C ATOM 1156 C GLN A 76 -9.691 0.439 -7.776 1.00 0.00 C ATOM 1157 O GLN A 76 -10.499 -0.227 -7.122 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.961 2.933 -7.588 1.00 0.00 C ATOM 1159 CG GLN A 76 -9.436 4.192 -6.875 1.00 0.00 C ATOM 1160 CD GLN A 76 -10.302 5.404 -7.222 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.023 6.559 -6.708 1.00 0.00 O flip ATOM 1162 NE2 GLN A 76 -11.270 5.286 -7.980 1.00 0.00 N flip ATOM 0 H GLN A 76 -7.548 2.764 -8.209 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.040 1.672 -6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.951 3.084 -8.667 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.996 2.746 -7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.437 4.034 -5.797 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.403 4.379 -7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.492 4.377 -8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.848 6.098 -8.200 1.00 0.00 H new ATOM 1171 N VAL A 77 -9.193 0.034 -8.934 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.600 -1.200 -9.575 1.00 0.00 C ATOM 1173 C VAL A 77 -9.338 -2.433 -8.679 1.00 0.00 C ATOM 1174 O VAL A 77 -10.078 -3.419 -8.749 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.892 -1.337 -10.943 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -7.372 -1.373 -10.758 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.348 -2.613 -11.644 1.00 0.00 C ATOM 0 H VAL A 77 -8.491 0.558 -9.456 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.677 -1.159 -9.738 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.156 -0.474 -11.554 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.889 -1.470 -11.730 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.042 -0.451 -10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.102 -2.224 -10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.843 -2.700 -12.606 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.101 -3.476 -11.026 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.426 -2.576 -11.802 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.314 -2.366 -7.820 1.00 0.00 N ATOM 1188 CA GLY A 78 -8.024 -3.474 -6.891 1.00 0.00 C ATOM 1189 C GLY A 78 -6.617 -4.017 -7.067 1.00 0.00 C ATOM 1190 O GLY A 78 -6.222 -4.983 -6.412 1.00 0.00 O ATOM 0 H GLY A 78 -7.679 -1.571 -7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.153 -3.129 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.744 -4.277 -7.050 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.899 -3.446 -7.989 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.577 -3.932 -8.350 1.00 0.00 C ATOM 1196 C GLU A 79 -3.516 -3.685 -7.278 1.00 0.00 C ATOM 1197 O GLU A 79 -3.737 -2.947 -6.313 1.00 0.00 O ATOM 1198 CB GLU A 79 -4.129 -3.298 -9.653 1.00 0.00 C ATOM 1199 CG GLU A 79 -4.706 -4.052 -10.849 1.00 0.00 C ATOM 1200 CD GLU A 79 -3.921 -3.693 -12.083 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -2.776 -4.082 -12.157 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -4.458 -3.032 -12.937 1.00 0.00 O ATOM 0 H GLU A 79 -6.203 -2.629 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.672 -5.013 -8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.449 -2.257 -9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.040 -3.299 -9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.660 -5.127 -10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.757 -3.796 -10.984 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.321 -4.232 -7.541 1.00 0.00 N ATOM 1210 CA VAL A 80 -1.143 -3.991 -6.723 1.00 0.00 C ATOM 1211 C VAL A 80 -0.300 -2.913 -7.392 1.00 0.00 C ATOM 1212 O VAL A 80 -0.083 -2.946 -8.615 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.298 -5.278 -6.575 1.00 0.00 C ATOM 1214 CG1 VAL A 80 1.054 -4.950 -5.921 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.029 -6.303 -5.710 1.00 0.00 C ATOM 0 H VAL A 80 -2.153 -4.855 -8.331 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.461 -3.673 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.137 -5.694 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.641 -5.863 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.595 -4.237 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.886 -4.518 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.419 -7.202 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.208 -5.882 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.982 -6.557 -6.174 1.00 0.00 H new ATOM 1225 N SER A 81 0.094 -1.935 -6.615 1.00 0.00 N ATOM 1226 CA SER A 81 0.840 -0.794 -7.108 1.00 0.00 C ATOM 1227 C SER A 81 2.178 -1.194 -7.631 1.00 0.00 C ATOM 1228 O SER A 81 2.783 -2.151 -7.142 1.00 0.00 O ATOM 1229 CB SER A 81 1.039 0.233 -5.989 1.00 0.00 C ATOM 1230 OG SER A 81 1.813 1.324 -6.480 1.00 0.00 O ATOM 0 H SER A 81 -0.094 -1.904 -5.613 1.00 0.00 H new ATOM 0 HA SER A 81 0.260 -0.359 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.073 0.590 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.541 -0.231 -5.140 1.00 0.00 H new ATOM 0 HG SER A 81 2.756 1.183 -6.255 1.00 0.00 H new ATOM 1236 N GLU A 82 2.732 -0.294 -8.412 1.00 0.00 N ATOM 1237 CA GLU A 82 4.123 -0.332 -8.766 1.00 0.00 C ATOM 1238 C GLU A 82 4.883 0.084 -7.511 1.00 0.00 C ATOM 1239 O GLU A 82 4.262 0.582 -6.559 1.00 0.00 O ATOM 1240 CB GLU A 82 4.405 0.657 -9.929 1.00 0.00 C ATOM 1241 CG GLU A 82 3.199 1.584 -10.144 1.00 0.00 C ATOM 1242 CD GLU A 82 3.455 2.544 -11.282 1.00 0.00 C ATOM 1243 OE1 GLU A 82 3.332 2.132 -12.412 1.00 0.00 O ATOM 1244 OE2 GLU A 82 3.751 3.691 -11.018 1.00 0.00 O ATOM 0 H GLU A 82 2.221 0.489 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 82 4.428 -1.322 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.292 1.249 -9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.614 0.103 -10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.311 0.989 -10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.997 2.142 -9.230 1.00 0.00 H new ATOM 1251 N PRO A 83 6.156 -0.174 -7.429 1.00 0.00 N ATOM 1252 CA PRO A 83 6.891 0.137 -6.174 1.00 0.00 C ATOM 1253 C PRO A 83 6.843 1.633 -5.893 1.00 0.00 C ATOM 1254 O PRO A 83 6.958 2.450 -6.818 1.00 0.00 O ATOM 1255 CB PRO A 83 8.322 -0.306 -6.492 1.00 0.00 C ATOM 1256 CG PRO A 83 8.450 -0.116 -7.968 1.00 0.00 C ATOM 1257 CD PRO A 83 7.072 -0.424 -8.557 1.00 0.00 C ATOM 0 HA PRO A 83 6.476 -0.354 -5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.053 0.293 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.488 -1.345 -6.209 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.756 0.903 -8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.208 -0.781 -8.382 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.846 0.218 -9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.006 -1.454 -8.908 1.00 0.00 H new ATOM 1265 N VAL A 84 6.676 1.998 -4.634 1.00 0.00 N ATOM 1266 CA VAL A 84 6.596 3.396 -4.276 1.00 0.00 C ATOM 1267 C VAL A 84 7.658 3.752 -3.247 1.00 0.00 C ATOM 1268 O VAL A 84 7.458 3.560 -2.045 1.00 0.00 O ATOM 1269 CB VAL A 84 5.189 3.709 -3.729 1.00 0.00 C ATOM 1270 CG1 VAL A 84 5.121 5.152 -3.209 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.141 3.509 -4.832 1.00 0.00 C ATOM 0 H VAL A 84 6.594 1.349 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 84 6.777 3.998 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 84 4.981 3.028 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.120 5.354 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.849 5.285 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.346 5.843 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.150 3.732 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.358 4.177 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.169 2.476 -5.178 1.00 0.00 H new ATOM 1281 N LYS A 85 8.748 4.357 -3.697 1.00 0.00 N ATOM 1282 CA LYS A 85 9.750 4.845 -2.765 1.00 0.00 C ATOM 1283 C LYS A 85 9.302 6.168 -2.191 1.00 0.00 C ATOM 1284 O LYS A 85 8.891 7.077 -2.931 1.00 0.00 O ATOM 1285 CB LYS A 85 11.134 4.987 -3.425 1.00 0.00 C ATOM 1286 CG LYS A 85 12.135 5.633 -2.436 1.00 0.00 C ATOM 1287 CD LYS A 85 12.343 4.730 -1.205 1.00 0.00 C ATOM 1288 CE LYS A 85 13.529 5.248 -0.373 1.00 0.00 C ATOM 1289 NZ LYS A 85 13.193 6.572 0.210 1.00 0.00 N ATOM 0 H LYS A 85 8.958 4.519 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 85 9.852 4.112 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.499 4.008 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.055 5.598 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.089 5.802 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.764 6.608 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.439 4.715 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.530 3.704 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.765 4.540 0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.417 5.331 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.883 6.810 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.221 7.297 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.239 6.537 0.623 1.00 0.00 H new ATOM 1303 N SER A 86 9.355 6.270 -0.894 1.00 0.00 N ATOM 1304 CA SER A 86 8.935 7.448 -0.204 1.00 0.00 C ATOM 1305 C SER A 86 10.021 7.884 0.748 1.00 0.00 C ATOM 1306 O SER A 86 11.027 7.185 0.923 1.00 0.00 O ATOM 1307 CB SER A 86 7.679 7.133 0.603 1.00 0.00 C ATOM 1308 OG SER A 86 8.055 6.368 1.748 1.00 0.00 O ATOM 0 H SER A 86 9.695 5.528 -0.283 1.00 0.00 H new ATOM 0 HA SER A 86 8.732 8.239 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.185 8.055 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.967 6.577 -0.007 1.00 0.00 H new ATOM 0 HG SER A 86 7.260 5.944 2.134 1.00 0.00 H new ATOM 1314 N GLU A 87 9.722 8.917 1.500 1.00 0.00 N ATOM 1315 CA GLU A 87 10.553 9.332 2.602 1.00 0.00 C ATOM 1316 C GLU A 87 10.581 8.199 3.622 1.00 0.00 C ATOM 1317 O GLU A 87 11.621 7.881 4.209 1.00 0.00 O ATOM 1318 CB GLU A 87 9.937 10.593 3.223 1.00 0.00 C ATOM 1319 CG GLU A 87 10.803 11.131 4.370 1.00 0.00 C ATOM 1320 CD GLU A 87 10.239 12.452 4.881 1.00 0.00 C ATOM 1321 OE1 GLU A 87 9.449 13.054 4.181 1.00 0.00 O ATOM 1322 OE2 GLU A 87 10.605 12.850 5.959 1.00 0.00 O ATOM 0 H GLU A 87 8.892 9.494 1.363 1.00 0.00 H new ATOM 0 HA GLU A 87 11.569 9.554 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.826 11.361 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.938 10.367 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.837 10.404 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.827 11.273 4.026 1.00 0.00 H new ATOM 1329 N PHE A 88 9.425 7.587 3.801 1.00 0.00 N ATOM 1330 CA PHE A 88 9.242 6.484 4.730 1.00 0.00 C ATOM 1331 C PHE A 88 10.013 5.239 4.309 1.00 0.00 C ATOM 1332 O PHE A 88 10.569 4.542 5.148 1.00 0.00 O ATOM 1333 CB PHE A 88 7.748 6.166 4.871 1.00 0.00 C ATOM 1334 CG PHE A 88 7.087 7.249 5.698 1.00 0.00 C ATOM 1335 CD1 PHE A 88 6.860 8.519 5.146 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.717 6.990 7.023 1.00 0.00 C ATOM 1337 CE1 PHE A 88 6.263 9.523 5.918 1.00 0.00 C ATOM 1338 CE2 PHE A 88 6.124 7.997 7.790 1.00 0.00 C ATOM 1339 CZ PHE A 88 5.896 9.261 7.240 1.00 0.00 C ATOM 0 H PHE A 88 8.575 7.844 3.299 1.00 0.00 H new ATOM 0 HA PHE A 88 9.643 6.795 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.282 6.106 3.888 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.614 5.195 5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.146 8.722 4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.889 6.014 7.452 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.086 10.499 5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.841 7.797 8.813 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.436 10.035 7.837 1.00 0.00 H new ATOM 1349 N GLY A 89 10.000 4.933 3.027 1.00 0.00 N ATOM 1350 CA GLY A 89 10.665 3.724 2.537 1.00 0.00 C ATOM 1351 C GLY A 89 10.068 3.289 1.224 1.00 0.00 C ATOM 1352 O GLY A 89 9.508 4.107 0.501 1.00 0.00 O ATOM 0 H GLY A 89 9.544 5.492 2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.731 3.913 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.566 2.924 3.271 1.00 0.00 H new ATOM 1356 N TYR A 90 10.096 1.997 0.952 1.00 0.00 N ATOM 1357 CA TYR A 90 9.463 1.482 -0.249 1.00 0.00 C ATOM 1358 C TYR A 90 8.116 0.925 0.110 1.00 0.00 C ATOM 1359 O TYR A 90 8.027 -0.033 0.874 1.00 0.00 O ATOM 1360 CB TYR A 90 10.307 0.362 -0.878 1.00 0.00 C ATOM 1361 CG TYR A 90 11.549 0.917 -1.531 1.00 0.00 C ATOM 1362 CD1 TYR A 90 11.503 1.363 -2.858 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.753 0.963 -0.819 1.00 0.00 C ATOM 1364 CE1 TYR A 90 12.655 1.858 -3.473 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.910 1.456 -1.436 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.860 1.903 -2.762 1.00 0.00 C ATOM 1367 OH TYR A 90 14.998 2.383 -3.374 1.00 0.00 O ATOM 0 H TYR A 90 10.544 1.293 1.538 1.00 0.00 H new ATOM 0 HA TYR A 90 9.367 2.296 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.588 -0.360 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.712 -0.174 -1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.574 1.324 -3.407 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.790 0.619 0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 90 12.616 2.205 -4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.841 1.491 -0.889 1.00 0.00 H new ATOM 0 HH TYR A 90 15.748 2.348 -2.744 1.00 0.00 H new ATOM 1377 N HIS A 91 7.075 1.491 -0.466 1.00 0.00 N ATOM 1378 CA HIS A 91 5.737 1.020 -0.213 1.00 0.00 C ATOM 1379 C HIS A 91 5.279 0.124 -1.330 1.00 0.00 C ATOM 1380 O HIS A 91 5.378 0.490 -2.512 1.00 0.00 O ATOM 1381 CB HIS A 91 4.735 2.184 -0.092 1.00 0.00 C ATOM 1382 CG HIS A 91 5.154 3.146 0.974 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.485 3.246 2.181 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.147 4.079 1.021 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.085 4.212 2.897 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.099 4.753 2.237 1.00 0.00 N ATOM 0 H HIS A 91 7.134 2.278 -1.112 1.00 0.00 H new ATOM 0 HA HIS A 91 5.767 0.474 0.730 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.660 2.704 -1.047 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.744 1.792 0.136 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.683 2.688 2.474 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.862 4.266 0.234 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.779 4.511 3.889 1.00 0.00 H new ATOM 1394 N VAL A 92 4.603 -0.933 -0.954 1.00 0.00 N ATOM 1395 CA VAL A 92 3.886 -1.758 -1.886 1.00 0.00 C ATOM 1396 C VAL A 92 2.429 -1.599 -1.513 1.00 0.00 C ATOM 1397 O VAL A 92 2.098 -1.633 -0.329 1.00 0.00 O ATOM 1398 CB VAL A 92 4.314 -3.223 -1.723 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.441 -4.129 -2.594 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.786 -3.377 -2.117 1.00 0.00 C ATOM 0 H VAL A 92 4.536 -1.245 0.015 1.00 0.00 H new ATOM 0 HA VAL A 92 4.078 -1.474 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 92 4.189 -3.516 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.755 -5.165 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.398 -4.027 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.548 -3.841 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.087 -4.418 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.918 -3.076 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.402 -2.747 -1.475 1.00 0.00 H new ATOM 1410 N ILE A 93 1.609 -1.220 -2.468 1.00 0.00 N ATOM 1411 CA ILE A 93 0.242 -0.839 -2.162 1.00 0.00 C ATOM 1412 C ILE A 93 -0.747 -1.671 -2.953 1.00 0.00 C ATOM 1413 O ILE A 93 -0.733 -1.644 -4.180 1.00 0.00 O ATOM 1414 CB ILE A 93 0.047 0.653 -2.499 1.00 0.00 C ATOM 1415 CG1 ILE A 93 1.014 1.504 -1.668 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.390 1.077 -2.173 1.00 0.00 C ATOM 1417 CD1 ILE A 93 1.009 2.936 -2.197 1.00 0.00 C ATOM 0 H ILE A 93 1.859 -1.166 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 93 0.061 -1.013 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 93 0.243 0.801 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.719 1.491 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.020 1.088 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.521 2.132 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.088 0.481 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.584 0.920 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.696 3.544 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.325 2.940 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.003 3.348 -2.121 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.697 -2.273 -2.263 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.814 -2.916 -2.931 1.00 0.00 C ATOM 1431 C LYS A 94 -4.104 -2.280 -2.465 1.00 0.00 C ATOM 1432 O LYS A 94 -4.228 -1.901 -1.295 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.850 -4.433 -2.698 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.001 -5.033 -3.536 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.058 -6.549 -3.363 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.230 -7.123 -4.181 1.00 0.00 C ATOM 1437 NZ LYS A 94 -5.020 -6.882 -5.632 1.00 0.00 N ATOM 0 H LYS A 94 -1.719 -2.331 -1.245 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.689 -2.771 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.899 -4.882 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.999 -4.650 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.949 -4.591 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.859 -4.787 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.120 -6.997 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.180 -6.800 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.322 -8.193 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.164 -6.662 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.441 -7.661 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.471 -5.985 -5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.001 -6.831 -5.831 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.052 -2.145 -3.365 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.321 -1.545 -3.012 1.00 0.00 C ATOM 1453 C ARG A 95 -7.178 -2.560 -2.281 1.00 0.00 C ATOM 1454 O ARG A 95 -7.157 -3.755 -2.606 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.046 -1.028 -4.258 1.00 0.00 C ATOM 1456 CG ARG A 95 -8.041 0.072 -3.860 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.419 -0.545 -3.581 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.044 -0.996 -4.824 1.00 0.00 N ATOM 1459 CZ ARG A 95 -10.806 -2.088 -4.891 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -10.993 -2.830 -3.831 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -11.368 -2.408 -6.018 1.00 0.00 N ATOM 0 H ARG A 95 -4.971 -2.439 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.136 -0.694 -2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.324 -0.636 -4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.572 -1.846 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.682 0.596 -2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.118 0.810 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.315 -1.385 -2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.059 0.189 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.891 -0.453 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.555 -2.575 -2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.577 -3.664 -3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.225 -1.825 -6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.952 -3.242 -6.078 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.910 -2.091 -1.285 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.765 -2.950 -0.483 1.00 0.00 C ATOM 1477 C LEU A 96 -10.211 -2.485 -0.534 1.00 0.00 C ATOM 1478 O LEU A 96 -10.484 -1.314 -0.784 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.231 -3.047 0.965 1.00 0.00 C ATOM 1480 CG LEU A 96 -8.917 -2.021 1.891 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -10.110 -2.668 2.601 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -7.913 -1.531 2.940 1.00 0.00 C ATOM 0 H LEU A 96 -7.929 -1.109 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.744 -3.955 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.398 -4.053 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.154 -2.879 0.969 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.268 -1.181 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.587 -1.935 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.829 -3.017 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.764 -3.512 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.396 -0.806 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.562 -2.377 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.066 -1.061 2.441 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.130 -3.415 -0.379 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.553 -3.112 -0.432 1.00 0.00 C ATOM 1496 C GLY A 97 -13.231 -3.542 0.859 1.00 0.00 C ATOM 1497 O GLY A 97 -14.212 -2.940 1.219 1.00 0.00 O ATOM 1498 OXT GLY A 97 -12.755 -4.468 1.472 1.00 0.00 O ATOM 0 H GLY A 97 -10.918 -4.399 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.699 -2.043 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.010 -3.624 -1.279 1.00 0.00 H new