USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 667 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 45 THR OG1 : rot 33:sc= -0.969 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -153:sc= -2.8! (180deg=-4.21!) USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= -0.0794 (180deg=-0.398) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.265 USER MOD Single : A 20 SER OG : rot 29:sc= -0.425 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -3.72 (180deg=-4.16!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.118 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0683) USER MOD Single : A 46 SER OG : rot 91:sc= 0.924 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -114:sc= -2.75 (180deg=-11.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.000112 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00754 USER MOD Single : A 75 TYR OH : rot 135:sc= 0.87 USER MOD Single : A 82 THR OG1 : rot 81:sc= 0.675 USER MOD Single : A 84 LYS NZ :NH3+ -139:sc= -0.879 (180deg=-3.07!) USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= -0.011 (180deg=-0.54) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 7 -10.722 0.552 -7.859 1.00 0.00 N ATOM 84 CA ALA A 7 -9.372 -0.093 -7.763 1.00 0.00 C ATOM 85 C ALA A 7 -9.142 -0.641 -6.347 1.00 0.00 C ATOM 86 O ALA A 7 -9.515 -1.756 -6.037 1.00 0.00 O ATOM 87 CB ALA A 7 -8.295 0.946 -8.097 1.00 0.00 C ATOM 0 HA ALA A 7 -9.319 -0.922 -8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.310 0.484 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.451 1.320 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.357 1.774 -7.391 1.00 0.00 H new ATOM 93 N LEU A 8 -8.535 0.130 -5.485 1.00 0.00 N ATOM 94 CA LEU A 8 -8.287 -0.336 -4.089 1.00 0.00 C ATOM 95 C LEU A 8 -8.646 0.807 -3.135 1.00 0.00 C ATOM 96 O LEU A 8 -8.070 0.961 -2.075 1.00 0.00 O ATOM 97 CB LEU A 8 -6.811 -0.734 -3.921 1.00 0.00 C ATOM 98 CG LEU A 8 -5.894 0.300 -4.588 1.00 0.00 C ATOM 99 CD1 LEU A 8 -5.798 1.553 -3.714 1.00 0.00 C ATOM 100 CD2 LEU A 8 -4.495 -0.304 -4.763 1.00 0.00 C ATOM 0 H LEU A 8 -8.197 1.071 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.898 -1.211 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.568 -0.813 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.641 -1.717 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.305 0.572 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.145 2.282 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.791 1.984 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.389 1.286 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.840 0.427 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.091 -0.575 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.559 -1.194 -5.389 1.00 0.00 H new ATOM 112 N LYS A 9 -9.613 1.606 -3.514 1.00 0.00 N ATOM 113 CA LYS A 9 -10.042 2.748 -2.655 1.00 0.00 C ATOM 114 C LYS A 9 -10.982 2.236 -1.558 1.00 0.00 C ATOM 115 O LYS A 9 -11.357 1.079 -1.541 1.00 0.00 O ATOM 116 CB LYS A 9 -10.772 3.779 -3.525 1.00 0.00 C ATOM 117 CG LYS A 9 -10.900 5.108 -2.771 1.00 0.00 C ATOM 118 CD LYS A 9 -11.241 6.224 -3.762 1.00 0.00 C ATOM 119 CE LYS A 9 -12.191 7.228 -3.103 1.00 0.00 C ATOM 120 NZ LYS A 9 -13.533 6.602 -2.934 1.00 0.00 N ATOM 0 H LYS A 9 -10.127 1.513 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.172 3.212 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.227 3.931 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.761 3.406 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.676 5.033 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.968 5.337 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.330 6.728 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.704 5.802 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.797 7.537 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.271 8.126 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.265 7.341 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.703 5.930 -3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.569 6.098 -2.025 1.00 0.00 H new ATOM 134 N GLY A 10 -11.361 3.089 -0.640 1.00 0.00 N ATOM 135 CA GLY A 10 -12.273 2.656 0.460 1.00 0.00 C ATOM 136 C GLY A 10 -11.462 1.949 1.548 1.00 0.00 C ATOM 137 O GLY A 10 -11.977 1.608 2.595 1.00 0.00 O ATOM 0 H GLY A 10 -11.077 4.068 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.789 3.519 0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.039 1.986 0.069 1.00 0.00 H new ATOM 141 N LEU A 11 -10.197 1.726 1.303 1.00 0.00 N ATOM 142 CA LEU A 11 -9.340 1.039 2.313 1.00 0.00 C ATOM 143 C LEU A 11 -8.188 1.957 2.714 1.00 0.00 C ATOM 144 O LEU A 11 -8.040 3.052 2.200 1.00 0.00 O ATOM 145 CB LEU A 11 -8.777 -0.256 1.717 1.00 0.00 C ATOM 146 CG LEU A 11 -9.917 -1.250 1.467 1.00 0.00 C ATOM 147 CD1 LEU A 11 -9.379 -2.462 0.701 1.00 0.00 C ATOM 148 CD2 LEU A 11 -10.501 -1.713 2.808 1.00 0.00 C ATOM 0 H LEU A 11 -9.719 1.992 0.442 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.939 0.802 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.257 -0.042 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.045 -0.692 2.396 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.697 -0.764 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.189 -3.169 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.966 -2.135 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.598 -2.946 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.311 -2.419 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.722 -2.197 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.886 -0.852 3.354 1.00 0.00 H new ATOM 160 N THR A 12 -7.378 1.520 3.638 1.00 0.00 N ATOM 161 CA THR A 12 -6.236 2.355 4.093 1.00 0.00 C ATOM 162 C THR A 12 -4.952 1.523 4.043 1.00 0.00 C ATOM 163 O THR A 12 -4.945 0.362 4.397 1.00 0.00 O ATOM 164 CB THR A 12 -6.498 2.818 5.530 1.00 0.00 C ATOM 165 OG1 THR A 12 -7.546 3.778 5.529 1.00 0.00 O ATOM 166 CG2 THR A 12 -5.232 3.444 6.119 1.00 0.00 C ATOM 0 H THR A 12 -7.460 0.614 4.099 1.00 0.00 H new ATOM 0 HA THR A 12 -6.127 3.224 3.445 1.00 0.00 H new ATOM 0 HB THR A 12 -6.784 1.959 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.718 4.076 6.447 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.429 3.770 7.140 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.429 2.707 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.935 4.302 5.515 1.00 0.00 H new ATOM 174 N PHE A 13 -3.869 2.117 3.619 1.00 0.00 N ATOM 175 CA PHE A 13 -2.576 1.377 3.558 1.00 0.00 C ATOM 176 C PHE A 13 -1.558 2.115 4.408 1.00 0.00 C ATOM 177 O PHE A 13 -1.330 3.299 4.239 1.00 0.00 O ATOM 178 CB PHE A 13 -2.081 1.297 2.110 1.00 0.00 C ATOM 179 CG PHE A 13 -2.818 0.203 1.367 1.00 0.00 C ATOM 180 CD1 PHE A 13 -2.318 -1.106 1.364 1.00 0.00 C ATOM 181 CD2 PHE A 13 -3.994 0.501 0.667 1.00 0.00 C ATOM 182 CE1 PHE A 13 -2.994 -2.115 0.664 1.00 0.00 C ATOM 183 CE2 PHE A 13 -4.668 -0.508 -0.033 1.00 0.00 C ATOM 184 CZ PHE A 13 -4.169 -1.813 -0.036 1.00 0.00 C ATOM 0 H PHE A 13 -3.824 3.088 3.311 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.714 0.363 3.933 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.236 2.254 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.009 1.099 2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.411 -1.338 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.381 1.509 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.609 -3.124 0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.575 -0.277 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.689 -2.589 -0.578 1.00 0.00 H new ATOM 194 N VAL A 14 -0.955 1.426 5.333 1.00 0.00 N ATOM 195 CA VAL A 14 0.039 2.084 6.214 1.00 0.00 C ATOM 196 C VAL A 14 1.361 1.324 6.188 1.00 0.00 C ATOM 197 O VAL A 14 1.431 0.175 5.799 1.00 0.00 O ATOM 198 CB VAL A 14 -0.501 2.136 7.645 1.00 0.00 C ATOM 199 CG1 VAL A 14 -1.857 2.845 7.659 1.00 0.00 C ATOM 200 CG2 VAL A 14 -0.657 0.722 8.218 1.00 0.00 C ATOM 0 H VAL A 14 -1.109 0.434 5.515 1.00 0.00 H new ATOM 0 HA VAL A 14 0.214 3.097 5.853 1.00 0.00 H new ATOM 0 HB VAL A 14 0.209 2.687 8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.239 2.880 8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.741 3.860 7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.559 2.300 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.042 0.782 9.236 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.352 0.154 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.312 0.224 8.226 1.00 0.00 H new ATOM 210 N ILE A 15 2.409 1.976 6.610 1.00 0.00 N ATOM 211 CA ILE A 15 3.750 1.329 6.636 1.00 0.00 C ATOM 212 C ILE A 15 4.285 1.401 8.066 1.00 0.00 C ATOM 213 O ILE A 15 4.173 2.422 8.716 1.00 0.00 O ATOM 214 CB ILE A 15 4.691 2.085 5.691 1.00 0.00 C ATOM 215 CG1 ILE A 15 4.349 1.732 4.238 1.00 0.00 C ATOM 216 CG2 ILE A 15 6.138 1.694 5.980 1.00 0.00 C ATOM 217 CD1 ILE A 15 3.409 2.788 3.656 1.00 0.00 C ATOM 0 H ILE A 15 2.393 2.940 6.942 1.00 0.00 H new ATOM 0 HA ILE A 15 3.682 0.290 6.314 1.00 0.00 H new ATOM 0 HB ILE A 15 4.569 3.157 5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.261 1.676 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.879 0.750 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.802 2.234 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.384 1.947 7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.262 0.622 5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.169 2.533 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.492 2.822 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.895 3.763 3.685 1.00 0.00 H new ATOM 229 N THR A 16 4.842 0.330 8.577 1.00 0.00 N ATOM 230 CA THR A 16 5.354 0.353 9.976 1.00 0.00 C ATOM 231 C THR A 16 6.441 1.426 10.100 1.00 0.00 C ATOM 232 O THR A 16 7.610 1.157 9.914 1.00 0.00 O ATOM 233 CB THR A 16 5.918 -1.038 10.317 1.00 0.00 C ATOM 234 OG1 THR A 16 4.861 -1.864 10.790 1.00 0.00 O ATOM 235 CG2 THR A 16 6.998 -0.927 11.398 1.00 0.00 C ATOM 0 H THR A 16 4.962 -0.555 8.085 1.00 0.00 H new ATOM 0 HA THR A 16 4.552 0.593 10.674 1.00 0.00 H new ATOM 0 HB THR A 16 6.362 -1.472 9.421 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.234 -2.615 11.297 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.386 -1.919 11.628 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.809 -0.294 11.038 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.568 -0.489 12.298 1.00 0.00 H new ATOM 243 N GLY A 17 6.051 2.644 10.401 1.00 0.00 N ATOM 244 CA GLY A 17 7.046 3.752 10.523 1.00 0.00 C ATOM 245 C GLY A 17 7.745 3.935 9.176 1.00 0.00 C ATOM 246 O GLY A 17 7.528 4.902 8.472 1.00 0.00 O ATOM 0 H GLY A 17 5.082 2.916 10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.548 4.676 10.819 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.776 3.521 11.299 1.00 0.00 H new ATOM 250 N GLU A 18 8.565 2.990 8.815 1.00 0.00 N ATOM 251 CA GLU A 18 9.276 3.050 7.517 1.00 0.00 C ATOM 252 C GLU A 18 9.705 1.632 7.140 1.00 0.00 C ATOM 253 O GLU A 18 10.715 1.135 7.604 1.00 0.00 O ATOM 254 CB GLU A 18 10.505 3.956 7.637 1.00 0.00 C ATOM 255 CG GLU A 18 11.160 4.115 6.260 1.00 0.00 C ATOM 256 CD GLU A 18 11.741 5.525 6.125 1.00 0.00 C ATOM 257 OE1 GLU A 18 10.964 6.452 5.962 1.00 0.00 O ATOM 258 OE2 GLU A 18 12.953 5.654 6.186 1.00 0.00 O ATOM 0 H GLU A 18 8.774 2.165 9.377 1.00 0.00 H new ATOM 0 HA GLU A 18 8.621 3.459 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.214 4.931 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.217 3.529 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.948 3.373 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.426 3.937 5.474 1.00 0.00 H new ATOM 265 N LEU A 19 8.938 0.977 6.306 1.00 0.00 N ATOM 266 CA LEU A 19 9.287 -0.413 5.895 1.00 0.00 C ATOM 267 C LEU A 19 10.700 -0.415 5.307 1.00 0.00 C ATOM 268 O LEU A 19 11.254 0.622 4.993 1.00 0.00 O ATOM 269 CB LEU A 19 8.316 -0.898 4.812 1.00 0.00 C ATOM 270 CG LEU A 19 7.230 -1.793 5.417 1.00 0.00 C ATOM 271 CD1 LEU A 19 5.953 -1.683 4.579 1.00 0.00 C ATOM 272 CD2 LEU A 19 7.722 -3.241 5.404 1.00 0.00 C ATOM 0 H LEU A 19 8.083 1.348 5.892 1.00 0.00 H new ATOM 0 HA LEU A 19 9.227 -1.068 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.855 -0.041 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.863 -1.449 4.047 1.00 0.00 H new ATOM 0 HG LEU A 19 7.018 -1.480 6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.180 -2.320 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.610 -0.649 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.159 -2.002 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.957 -3.889 5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.924 -3.547 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.636 -3.320 5.993 1.00 0.00 H new ATOM 284 N SER A 20 11.280 -1.570 5.137 1.00 0.00 N ATOM 285 CA SER A 20 12.649 -1.639 4.548 1.00 0.00 C ATOM 286 C SER A 20 12.589 -1.236 3.069 1.00 0.00 C ATOM 287 O SER A 20 13.586 -1.241 2.372 1.00 0.00 O ATOM 288 CB SER A 20 13.167 -3.069 4.658 1.00 0.00 C ATOM 289 OG SER A 20 13.801 -3.246 5.919 1.00 0.00 O ATOM 0 H SER A 20 10.866 -2.470 5.380 1.00 0.00 H new ATOM 0 HA SER A 20 13.314 -0.961 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.344 -3.775 4.550 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.871 -3.275 3.852 1.00 0.00 H new ATOM 0 HG SER A 20 13.393 -2.645 6.577 1.00 0.00 H new ATOM 295 N ARG A 21 11.421 -0.894 2.589 1.00 0.00 N ATOM 296 CA ARG A 21 11.263 -0.493 1.159 1.00 0.00 C ATOM 297 C ARG A 21 10.899 0.994 1.099 1.00 0.00 C ATOM 298 O ARG A 21 10.537 1.578 2.103 1.00 0.00 O ATOM 299 CB ARG A 21 10.129 -1.330 0.541 1.00 0.00 C ATOM 300 CG ARG A 21 8.840 -1.142 1.354 1.00 0.00 C ATOM 301 CD ARG A 21 7.844 -0.289 0.564 1.00 0.00 C ATOM 302 NE ARG A 21 7.312 -1.075 -0.587 1.00 0.00 N ATOM 303 CZ ARG A 21 7.653 -0.766 -1.809 1.00 0.00 C ATOM 304 NH1 ARG A 21 7.489 0.454 -2.245 1.00 0.00 N ATOM 305 NH2 ARG A 21 8.158 -1.676 -2.594 1.00 0.00 N ATOM 0 H ARG A 21 10.559 -0.875 3.134 1.00 0.00 H new ATOM 0 HA ARG A 21 12.189 -0.662 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.964 -1.028 -0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.409 -2.383 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.399 -2.112 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.067 -0.663 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.026 0.025 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.332 0.617 0.204 1.00 0.00 H new ATOM 0 HE ARG A 21 6.679 -1.857 -0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.094 1.166 -1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.756 0.695 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.287 -2.629 -2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.425 -1.435 -3.549 1.00 0.00 H new ATOM 319 N PRO A 22 10.965 1.606 -0.062 1.00 0.00 N ATOM 320 CA PRO A 22 10.603 3.045 -0.213 1.00 0.00 C ATOM 321 C PRO A 22 9.141 3.269 0.168 1.00 0.00 C ATOM 322 O PRO A 22 8.231 2.964 -0.578 1.00 0.00 O ATOM 323 CB PRO A 22 10.874 3.342 -1.694 1.00 0.00 C ATOM 324 CG PRO A 22 10.804 2.014 -2.366 1.00 0.00 C ATOM 325 CD PRO A 22 11.372 1.020 -1.352 1.00 0.00 C ATOM 0 HA PRO A 22 11.173 3.707 0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.134 4.031 -2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.851 3.805 -1.833 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.778 1.761 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.383 2.009 -3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.960 0.020 -1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.455 0.933 -1.433 1.00 0.00 H new ATOM 333 N ARG A 23 8.926 3.789 1.345 1.00 0.00 N ATOM 334 CA ARG A 23 7.539 4.032 1.823 1.00 0.00 C ATOM 335 C ARG A 23 7.034 5.372 1.281 1.00 0.00 C ATOM 336 O ARG A 23 5.850 5.634 1.258 1.00 0.00 O ATOM 337 CB ARG A 23 7.528 4.026 3.358 1.00 0.00 C ATOM 338 CG ARG A 23 8.041 5.364 3.907 1.00 0.00 C ATOM 339 CD ARG A 23 6.865 6.182 4.447 1.00 0.00 C ATOM 340 NE ARG A 23 7.305 7.583 4.705 1.00 0.00 N ATOM 341 CZ ARG A 23 6.541 8.392 5.388 1.00 0.00 C ATOM 342 NH1 ARG A 23 5.294 8.559 5.043 1.00 0.00 N ATOM 343 NH2 ARG A 23 7.024 9.033 6.416 1.00 0.00 N ATOM 0 H ARG A 23 9.660 4.058 2.001 1.00 0.00 H new ATOM 0 HA ARG A 23 6.877 3.245 1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.516 3.843 3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.151 3.212 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.769 5.189 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.553 5.919 3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.044 6.174 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.489 5.733 5.366 1.00 0.00 H new ATOM 0 HE ARG A 23 8.203 7.909 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.916 8.057 4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.697 9.191 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.999 8.902 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.427 9.665 6.949 1.00 0.00 H new ATOM 357 N GLU A 24 7.925 6.209 0.816 1.00 0.00 N ATOM 358 CA GLU A 24 7.503 7.522 0.252 1.00 0.00 C ATOM 359 C GLU A 24 7.039 7.320 -1.191 1.00 0.00 C ATOM 360 O GLU A 24 6.065 7.900 -1.632 1.00 0.00 O ATOM 361 CB GLU A 24 8.693 8.486 0.284 1.00 0.00 C ATOM 362 CG GLU A 24 8.969 8.909 1.731 1.00 0.00 C ATOM 363 CD GLU A 24 9.970 10.068 1.749 1.00 0.00 C ATOM 364 OE1 GLU A 24 9.609 11.147 1.306 1.00 0.00 O ATOM 365 OE2 GLU A 24 11.081 9.859 2.209 1.00 0.00 O ATOM 0 H GLU A 24 8.930 6.037 0.803 1.00 0.00 H new ATOM 0 HA GLU A 24 6.685 7.937 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.575 8.006 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.481 9.363 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.040 9.211 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.364 8.066 2.297 1.00 0.00 H new ATOM 372 N GLU A 25 7.737 6.495 -1.925 1.00 0.00 N ATOM 373 CA GLU A 25 7.360 6.234 -3.343 1.00 0.00 C ATOM 374 C GLU A 25 5.979 5.570 -3.391 1.00 0.00 C ATOM 375 O GLU A 25 5.064 6.069 -4.020 1.00 0.00 O ATOM 376 CB GLU A 25 8.398 5.306 -3.983 1.00 0.00 C ATOM 377 CG GLU A 25 8.171 5.235 -5.498 1.00 0.00 C ATOM 378 CD GLU A 25 8.434 6.610 -6.122 1.00 0.00 C ATOM 379 OE1 GLU A 25 9.589 7.000 -6.185 1.00 0.00 O ATOM 380 OE2 GLU A 25 7.476 7.248 -6.527 1.00 0.00 O ATOM 0 H GLU A 25 8.559 5.987 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 25 7.328 7.176 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.403 5.672 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.324 4.309 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.833 4.491 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.150 4.918 -5.708 1.00 0.00 H new ATOM 387 N VAL A 26 5.828 4.448 -2.736 1.00 0.00 N ATOM 388 CA VAL A 26 4.512 3.740 -2.742 1.00 0.00 C ATOM 389 C VAL A 26 3.419 4.661 -2.187 1.00 0.00 C ATOM 390 O VAL A 26 2.285 4.616 -2.621 1.00 0.00 O ATOM 391 CB VAL A 26 4.607 2.472 -1.881 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.940 2.846 -0.434 1.00 0.00 C ATOM 393 CG2 VAL A 26 3.269 1.724 -1.918 1.00 0.00 C ATOM 0 H VAL A 26 6.562 3.990 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 26 4.258 3.465 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 26 5.395 1.832 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.006 1.941 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.894 3.372 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.157 3.492 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.338 0.824 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.481 2.368 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.035 1.447 -2.946 1.00 0.00 H new ATOM 403 N LYS A 27 3.748 5.491 -1.228 1.00 0.00 N ATOM 404 CA LYS A 27 2.720 6.408 -0.647 1.00 0.00 C ATOM 405 C LYS A 27 2.091 7.263 -1.750 1.00 0.00 C ATOM 406 O LYS A 27 0.887 7.419 -1.812 1.00 0.00 O ATOM 407 CB LYS A 27 3.377 7.324 0.389 1.00 0.00 C ATOM 408 CG LYS A 27 3.377 6.634 1.753 1.00 0.00 C ATOM 409 CD LYS A 27 2.015 6.819 2.423 1.00 0.00 C ATOM 410 CE LYS A 27 1.805 5.717 3.465 1.00 0.00 C ATOM 411 NZ LYS A 27 1.203 6.308 4.688 1.00 0.00 N ATOM 0 H LYS A 27 4.681 5.573 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 27 1.943 5.810 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.398 7.558 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.838 8.269 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.594 5.572 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.163 7.051 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.962 7.799 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.222 6.784 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.154 4.940 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.756 5.242 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.842 5.548 5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.925 6.852 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.420 6.938 4.420 1.00 0.00 H new ATOM 425 N ALA A 28 2.894 7.824 -2.616 1.00 0.00 N ATOM 426 CA ALA A 28 2.342 8.676 -3.711 1.00 0.00 C ATOM 427 C ALA A 28 1.570 7.809 -4.711 1.00 0.00 C ATOM 428 O ALA A 28 0.537 8.201 -5.214 1.00 0.00 O ATOM 429 CB ALA A 28 3.493 9.382 -4.434 1.00 0.00 C ATOM 0 H ALA A 28 3.910 7.729 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 28 1.666 9.416 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.093 10.005 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.039 10.006 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.168 8.638 -4.857 1.00 0.00 H new ATOM 435 N LEU A 29 2.068 6.637 -5.006 1.00 0.00 N ATOM 436 CA LEU A 29 1.374 5.745 -5.978 1.00 0.00 C ATOM 437 C LEU A 29 0.112 5.156 -5.338 1.00 0.00 C ATOM 438 O LEU A 29 -0.864 4.883 -6.010 1.00 0.00 O ATOM 439 CB LEU A 29 2.328 4.613 -6.374 1.00 0.00 C ATOM 440 CG LEU A 29 2.853 4.844 -7.797 1.00 0.00 C ATOM 441 CD1 LEU A 29 3.583 6.190 -7.867 1.00 0.00 C ATOM 442 CD2 LEU A 29 3.825 3.721 -8.170 1.00 0.00 C ATOM 0 H LEU A 29 2.930 6.259 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 29 1.086 6.316 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.161 4.567 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.811 3.655 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 29 2.014 4.850 -8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.954 6.350 -8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.894 6.992 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.421 6.186 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.199 3.884 -9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.661 3.716 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.308 2.762 -8.124 1.00 0.00 H new ATOM 454 N LEU A 30 0.129 4.952 -4.047 1.00 0.00 N ATOM 455 CA LEU A 30 -1.064 4.374 -3.362 1.00 0.00 C ATOM 456 C LEU A 30 -2.104 5.471 -3.118 1.00 0.00 C ATOM 457 O LEU A 30 -3.272 5.303 -3.412 1.00 0.00 O ATOM 458 CB LEU A 30 -0.634 3.757 -2.023 1.00 0.00 C ATOM 459 CG LEU A 30 -1.826 3.062 -1.340 1.00 0.00 C ATOM 460 CD1 LEU A 30 -2.741 4.107 -0.698 1.00 0.00 C ATOM 461 CD2 LEU A 30 -2.625 2.250 -2.366 1.00 0.00 C ATOM 0 H LEU A 30 0.919 5.161 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.505 3.601 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.168 3.037 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.235 4.533 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.443 2.391 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.582 3.608 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.181 4.673 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.113 4.786 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.465 1.763 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.999 2.915 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.980 1.494 -2.813 1.00 0.00 H new ATOM 473 N ARG A 31 -1.693 6.593 -2.583 1.00 0.00 N ATOM 474 CA ARG A 31 -2.665 7.696 -2.322 1.00 0.00 C ATOM 475 C ARG A 31 -3.269 8.150 -3.649 1.00 0.00 C ATOM 476 O ARG A 31 -4.466 8.324 -3.769 1.00 0.00 O ATOM 477 CB ARG A 31 -1.948 8.869 -1.648 1.00 0.00 C ATOM 478 CG ARG A 31 -2.971 9.931 -1.230 1.00 0.00 C ATOM 479 CD ARG A 31 -2.252 11.245 -0.915 1.00 0.00 C ATOM 480 NE ARG A 31 -1.630 11.785 -2.159 1.00 0.00 N ATOM 481 CZ ARG A 31 -1.534 13.075 -2.338 1.00 0.00 C ATOM 482 NH1 ARG A 31 -0.893 13.812 -1.471 1.00 0.00 N ATOM 483 NH2 ARG A 31 -2.077 13.630 -3.388 1.00 0.00 N ATOM 0 H ARG A 31 -0.729 6.792 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.456 7.341 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.397 8.518 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.218 9.303 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.697 10.085 -2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.526 9.591 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.957 11.968 -0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.487 11.080 -0.156 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.279 11.145 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.466 13.380 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.820 14.819 -1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.576 13.056 -4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.002 14.638 -3.528 1.00 0.00 H new ATOM 497 N ARG A 32 -2.442 8.318 -4.646 1.00 0.00 N ATOM 498 CA ARG A 32 -2.960 8.731 -5.983 1.00 0.00 C ATOM 499 C ARG A 32 -4.097 7.775 -6.355 1.00 0.00 C ATOM 500 O ARG A 32 -5.022 8.121 -7.063 1.00 0.00 O ATOM 501 CB ARG A 32 -1.838 8.634 -7.022 1.00 0.00 C ATOM 502 CG ARG A 32 -2.348 9.120 -8.383 1.00 0.00 C ATOM 503 CD ARG A 32 -1.218 9.043 -9.413 1.00 0.00 C ATOM 504 NE ARG A 32 -1.447 10.054 -10.485 1.00 0.00 N ATOM 505 CZ ARG A 32 -0.428 10.596 -11.099 1.00 0.00 C ATOM 506 NH1 ARG A 32 0.542 9.845 -11.543 1.00 0.00 N ATOM 507 NH2 ARG A 32 -0.382 11.889 -11.272 1.00 0.00 N ATOM 0 H ARG A 32 -1.432 8.187 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.319 9.760 -5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.985 9.235 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.490 7.604 -7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.190 8.509 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.710 10.145 -8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.258 9.223 -8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.174 8.043 -9.845 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.398 10.322 -10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.506 8.834 -11.411 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.337 10.269 -12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.141 12.477 -10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.413 12.311 -11.751 1.00 0.00 H new ATOM 521 N LEU A 33 -4.011 6.564 -5.866 1.00 0.00 N ATOM 522 CA LEU A 33 -5.049 5.532 -6.152 1.00 0.00 C ATOM 523 C LEU A 33 -6.157 5.584 -5.092 1.00 0.00 C ATOM 524 O LEU A 33 -6.814 4.595 -4.825 1.00 0.00 O ATOM 525 CB LEU A 33 -4.377 4.157 -6.104 1.00 0.00 C ATOM 526 CG LEU A 33 -5.052 3.197 -7.090 1.00 0.00 C ATOM 527 CD1 LEU A 33 -5.053 3.806 -8.496 1.00 0.00 C ATOM 528 CD2 LEU A 33 -4.283 1.874 -7.112 1.00 0.00 C ATOM 0 H LEU A 33 -3.249 6.243 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.491 5.716 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.319 4.254 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.436 3.752 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.081 3.023 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.534 3.117 -9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.599 4.749 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.026 3.985 -8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.760 1.188 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.255 2.056 -7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.286 1.435 -6.114 1.00 0.00 H new ATOM 540 N GLY A 34 -6.372 6.718 -4.479 1.00 0.00 N ATOM 541 CA GLY A 34 -7.434 6.810 -3.434 1.00 0.00 C ATOM 542 C GLY A 34 -6.882 6.265 -2.115 1.00 0.00 C ATOM 543 O GLY A 34 -6.035 6.880 -1.504 1.00 0.00 O ATOM 0 H GLY A 34 -5.860 7.582 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.752 7.845 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.312 6.241 -3.739 1.00 0.00 H new ATOM 547 N ALA A 35 -7.357 5.108 -1.700 1.00 0.00 N ATOM 548 CA ALA A 35 -6.897 4.444 -0.426 1.00 0.00 C ATOM 549 C ALA A 35 -6.150 5.403 0.516 1.00 0.00 C ATOM 550 O ALA A 35 -5.017 5.778 0.273 1.00 0.00 O ATOM 551 CB ALA A 35 -5.978 3.275 -0.785 1.00 0.00 C ATOM 0 H ALA A 35 -8.067 4.579 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.786 4.103 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.638 2.786 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.524 2.559 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.117 3.647 -1.340 1.00 0.00 H new ATOM 557 N LYS A 36 -6.766 5.768 1.612 1.00 0.00 N ATOM 558 CA LYS A 36 -6.093 6.677 2.591 1.00 0.00 C ATOM 559 C LYS A 36 -4.766 6.047 3.026 1.00 0.00 C ATOM 560 O LYS A 36 -4.576 4.852 2.908 1.00 0.00 O ATOM 561 CB LYS A 36 -6.995 6.863 3.814 1.00 0.00 C ATOM 562 CG LYS A 36 -8.203 7.724 3.436 1.00 0.00 C ATOM 563 CD LYS A 36 -9.047 7.992 4.685 1.00 0.00 C ATOM 564 CE LYS A 36 -10.268 8.837 4.311 1.00 0.00 C ATOM 565 NZ LYS A 36 -11.059 9.134 5.538 1.00 0.00 N ATOM 0 H LYS A 36 -7.708 5.475 1.872 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.906 7.646 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.328 5.893 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.437 7.337 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.870 8.666 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.803 7.217 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.367 7.049 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.450 8.511 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.950 9.765 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.885 8.304 3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.889 9.708 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.373 8.243 5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.468 9.659 6.214 1.00 0.00 H new ATOM 579 N VAL A 37 -3.836 6.834 3.509 1.00 0.00 N ATOM 580 CA VAL A 37 -2.522 6.257 3.920 1.00 0.00 C ATOM 581 C VAL A 37 -2.092 6.798 5.289 1.00 0.00 C ATOM 582 O VAL A 37 -2.516 7.855 5.717 1.00 0.00 O ATOM 583 CB VAL A 37 -1.465 6.629 2.876 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.963 6.250 1.480 1.00 0.00 C ATOM 585 CG2 VAL A 37 -1.195 8.138 2.924 1.00 0.00 C ATOM 0 H VAL A 37 -3.930 7.842 3.635 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.622 5.174 3.991 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.544 6.088 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.208 6.516 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.149 5.177 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.887 6.787 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.442 8.397 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.117 8.679 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.834 8.412 3.915 1.00 0.00 H new ATOM 595 N THR A 38 -1.231 6.076 5.965 1.00 0.00 N ATOM 596 CA THR A 38 -0.730 6.521 7.301 1.00 0.00 C ATOM 597 C THR A 38 0.608 5.820 7.587 1.00 0.00 C ATOM 598 O THR A 38 1.079 5.021 6.799 1.00 0.00 O ATOM 599 CB THR A 38 -1.747 6.161 8.396 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.038 6.013 7.819 1.00 0.00 O ATOM 601 CG2 THR A 38 -1.785 7.272 9.450 1.00 0.00 C ATOM 0 H THR A 38 -0.850 5.186 5.642 1.00 0.00 H new ATOM 0 HA THR A 38 -0.592 7.602 7.296 1.00 0.00 H new ATOM 0 HB THR A 38 -1.450 5.224 8.867 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.684 5.782 8.518 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.507 7.014 10.225 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.797 7.383 9.897 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.078 8.210 8.979 1.00 0.00 H new ATOM 609 N ASP A 39 1.217 6.096 8.708 1.00 0.00 N ATOM 610 CA ASP A 39 2.516 5.434 9.040 1.00 0.00 C ATOM 611 C ASP A 39 2.583 5.161 10.547 1.00 0.00 C ATOM 612 O ASP A 39 3.579 4.683 11.057 1.00 0.00 O ATOM 613 CB ASP A 39 3.673 6.353 8.634 1.00 0.00 C ATOM 614 CG ASP A 39 3.522 7.708 9.333 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.877 8.574 8.768 1.00 0.00 O ATOM 616 OD2 ASP A 39 4.053 7.853 10.422 1.00 0.00 O ATOM 0 H ASP A 39 0.873 6.751 9.410 1.00 0.00 H new ATOM 0 HA ASP A 39 2.592 4.491 8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.625 5.897 8.905 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.681 6.489 7.553 1.00 0.00 H new ATOM 621 N SER A 40 1.526 5.459 11.258 1.00 0.00 N ATOM 622 CA SER A 40 1.505 5.222 12.729 1.00 0.00 C ATOM 623 C SER A 40 0.345 4.283 13.053 1.00 0.00 C ATOM 624 O SER A 40 -0.513 4.041 12.225 1.00 0.00 O ATOM 625 CB SER A 40 1.308 6.556 13.453 1.00 0.00 C ATOM 626 OG SER A 40 2.255 7.499 12.967 1.00 0.00 O ATOM 0 H SER A 40 0.669 5.860 10.877 1.00 0.00 H new ATOM 0 HA SER A 40 2.445 4.775 13.054 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.295 6.924 13.291 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.431 6.421 14.528 1.00 0.00 H new ATOM 0 HG SER A 40 2.130 8.355 13.428 1.00 0.00 H new ATOM 632 N VAL A 41 0.309 3.744 14.242 1.00 0.00 N ATOM 633 CA VAL A 41 -0.800 2.817 14.600 1.00 0.00 C ATOM 634 C VAL A 41 -1.356 3.165 15.979 1.00 0.00 C ATOM 635 O VAL A 41 -0.622 3.351 16.930 1.00 0.00 O ATOM 636 CB VAL A 41 -0.286 1.376 14.611 1.00 0.00 C ATOM 637 CG1 VAL A 41 0.328 1.044 13.248 1.00 0.00 C ATOM 638 CG2 VAL A 41 0.780 1.208 15.701 1.00 0.00 C ATOM 0 H VAL A 41 0.997 3.905 14.977 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.593 2.918 13.859 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.118 0.702 14.815 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.695 0.018 13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.429 1.154 12.471 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.156 1.724 13.047 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.140 0.179 15.702 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.612 1.884 15.503 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.346 1.441 16.673 1.00 0.00 H new ATOM 648 N SER A 42 -2.655 3.246 16.089 1.00 0.00 N ATOM 649 CA SER A 42 -3.276 3.572 17.400 1.00 0.00 C ATOM 650 C SER A 42 -4.692 2.997 17.448 1.00 0.00 C ATOM 651 O SER A 42 -5.217 2.717 18.509 1.00 0.00 O ATOM 652 CB SER A 42 -3.340 5.089 17.580 1.00 0.00 C ATOM 653 OG SER A 42 -2.021 5.619 17.595 1.00 0.00 O ATOM 0 H SER A 42 -3.313 3.099 15.323 1.00 0.00 H new ATOM 0 HA SER A 42 -2.675 3.139 18.200 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.915 5.538 16.770 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.853 5.335 18.510 1.00 0.00 H new ATOM 0 HG SER A 42 -2.061 6.592 17.709 1.00 0.00 H new ATOM 659 N ARG A 43 -5.312 2.818 16.306 1.00 0.00 N ATOM 660 CA ARG A 43 -6.702 2.260 16.267 1.00 0.00 C ATOM 661 C ARG A 43 -7.284 2.453 14.863 1.00 0.00 C ATOM 662 O ARG A 43 -7.766 1.524 14.245 1.00 0.00 O ATOM 663 CB ARG A 43 -7.598 2.992 17.279 1.00 0.00 C ATOM 664 CG ARG A 43 -8.072 2.005 18.351 1.00 0.00 C ATOM 665 CD ARG A 43 -8.626 2.776 19.553 1.00 0.00 C ATOM 666 NE ARG A 43 -7.556 2.934 20.579 1.00 0.00 N ATOM 667 CZ ARG A 43 -7.874 3.106 21.834 1.00 0.00 C ATOM 668 NH1 ARG A 43 -8.466 2.146 22.492 1.00 0.00 N ATOM 669 NH2 ARG A 43 -7.602 4.236 22.429 1.00 0.00 N ATOM 0 H ARG A 43 -4.912 3.036 15.393 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.664 1.200 16.519 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.048 3.811 17.742 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.456 3.432 16.770 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.841 1.350 17.941 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.245 1.369 18.665 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.988 3.754 19.236 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.477 2.244 19.979 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.575 2.908 20.301 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.679 1.264 22.026 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.715 2.278 23.472 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.141 4.986 21.914 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.851 4.369 23.409 1.00 0.00 H new ATOM 683 N LYS A 44 -7.246 3.664 14.365 1.00 0.00 N ATOM 684 CA LYS A 44 -7.799 3.946 13.006 1.00 0.00 C ATOM 685 C LYS A 44 -7.054 3.111 11.958 1.00 0.00 C ATOM 686 O LYS A 44 -7.568 2.838 10.891 1.00 0.00 O ATOM 687 CB LYS A 44 -7.635 5.435 12.688 1.00 0.00 C ATOM 688 CG LYS A 44 -8.246 6.270 13.818 1.00 0.00 C ATOM 689 CD LYS A 44 -8.597 7.669 13.296 1.00 0.00 C ATOM 690 CE LYS A 44 -8.170 8.726 14.321 1.00 0.00 C ATOM 691 NZ LYS A 44 -8.943 8.539 15.582 1.00 0.00 N ATOM 0 H LYS A 44 -6.853 4.474 14.845 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.857 3.684 12.986 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.579 5.679 12.572 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.123 5.672 11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.140 5.780 14.202 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.543 6.347 14.647 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.097 7.849 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.669 7.740 13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.102 8.643 14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.342 9.725 13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.794 9.358 16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.955 8.453 15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.620 7.675 16.062 1.00 0.00 H new ATOM 705 N THR A 45 -5.851 2.700 12.262 1.00 0.00 N ATOM 706 CA THR A 45 -5.066 1.877 11.295 1.00 0.00 C ATOM 707 C THR A 45 -5.441 0.403 11.466 1.00 0.00 C ATOM 708 O THR A 45 -6.243 0.054 12.310 1.00 0.00 O ATOM 709 CB THR A 45 -3.572 2.055 11.579 1.00 0.00 C ATOM 710 OG1 THR A 45 -2.816 1.413 10.560 1.00 0.00 O ATOM 711 CG2 THR A 45 -3.229 1.437 12.939 1.00 0.00 C ATOM 0 H THR A 45 -5.376 2.900 13.142 1.00 0.00 H new ATOM 0 HA THR A 45 -5.287 2.196 10.276 1.00 0.00 H new ATOM 0 HB THR A 45 -3.331 3.118 11.595 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.299 1.470 9.709 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.165 1.565 13.139 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.807 1.932 13.720 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.471 0.374 12.927 1.00 0.00 H new ATOM 719 N SER A 46 -4.849 -0.462 10.680 1.00 0.00 N ATOM 720 CA SER A 46 -5.150 -1.923 10.796 1.00 0.00 C ATOM 721 C SER A 46 -4.600 -2.671 9.581 1.00 0.00 C ATOM 722 O SER A 46 -4.365 -3.859 9.644 1.00 0.00 O ATOM 723 CB SER A 46 -6.662 -2.153 10.870 1.00 0.00 C ATOM 724 OG SER A 46 -7.337 -1.142 10.132 1.00 0.00 O ATOM 0 H SER A 46 -4.168 -0.219 9.961 1.00 0.00 H new ATOM 0 HA SER A 46 -4.679 -2.295 11.706 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.910 -3.136 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.991 -2.140 11.909 1.00 0.00 H new ATOM 0 HG SER A 46 -7.462 -1.441 9.207 1.00 0.00 H new ATOM 730 N TYR A 47 -4.394 -1.992 8.482 1.00 0.00 N ATOM 731 CA TYR A 47 -3.861 -2.674 7.263 1.00 0.00 C ATOM 732 C TYR A 47 -2.494 -2.093 6.907 1.00 0.00 C ATOM 733 O TYR A 47 -2.326 -0.894 6.818 1.00 0.00 O ATOM 734 CB TYR A 47 -4.820 -2.468 6.085 1.00 0.00 C ATOM 735 CG TYR A 47 -6.254 -2.587 6.555 1.00 0.00 C ATOM 736 CD1 TYR A 47 -6.831 -3.852 6.734 1.00 0.00 C ATOM 737 CD2 TYR A 47 -7.007 -1.434 6.808 1.00 0.00 C ATOM 738 CE1 TYR A 47 -8.158 -3.961 7.167 1.00 0.00 C ATOM 739 CE2 TYR A 47 -8.335 -1.544 7.240 1.00 0.00 C ATOM 740 CZ TYR A 47 -8.910 -2.807 7.419 1.00 0.00 C ATOM 741 OH TYR A 47 -10.218 -2.916 7.844 1.00 0.00 O ATOM 0 H TYR A 47 -4.572 -0.993 8.375 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.765 -3.740 7.467 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.655 -1.487 5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.621 -3.208 5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.252 -4.742 6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.564 -0.459 6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.602 -4.936 7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.915 -0.654 7.435 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.595 -2.021 7.974 1.00 0.00 H new ATOM 751 N LEU A 48 -1.526 -2.941 6.679 1.00 0.00 N ATOM 752 CA LEU A 48 -0.163 -2.456 6.307 1.00 0.00 C ATOM 753 C LEU A 48 0.185 -3.002 4.917 1.00 0.00 C ATOM 754 O LEU A 48 -0.160 -4.117 4.579 1.00 0.00 O ATOM 755 CB LEU A 48 0.860 -2.956 7.341 1.00 0.00 C ATOM 756 CG LEU A 48 2.275 -2.901 6.756 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.253 -2.399 7.823 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.692 -4.303 6.300 1.00 0.00 C ATOM 0 H LEU A 48 -1.621 -3.955 6.735 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.141 -1.366 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.807 -2.344 8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.620 -3.978 7.636 1.00 0.00 H new ATOM 0 HG LEU A 48 2.289 -2.221 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.259 -2.361 7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.957 -1.402 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.240 -3.077 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.699 -4.266 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.677 -4.982 7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.998 -4.660 5.539 1.00 0.00 H new ATOM 770 N VAL A 49 0.866 -2.224 4.116 1.00 0.00 N ATOM 771 CA VAL A 49 1.242 -2.692 2.749 1.00 0.00 C ATOM 772 C VAL A 49 2.558 -3.479 2.831 1.00 0.00 C ATOM 773 O VAL A 49 3.614 -2.925 3.067 1.00 0.00 O ATOM 774 CB VAL A 49 1.395 -1.474 1.823 1.00 0.00 C ATOM 775 CG1 VAL A 49 2.570 -0.599 2.278 1.00 0.00 C ATOM 776 CG2 VAL A 49 1.636 -1.949 0.389 1.00 0.00 C ATOM 0 H VAL A 49 1.179 -1.282 4.351 1.00 0.00 H new ATOM 0 HA VAL A 49 0.467 -3.344 2.346 1.00 0.00 H new ATOM 0 HB VAL A 49 0.480 -0.883 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.664 0.259 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.392 -0.250 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.490 -1.183 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.744 -1.085 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.545 -2.549 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.790 -2.552 0.058 1.00 0.00 H new ATOM 786 N VAL A 50 2.500 -4.777 2.660 1.00 0.00 N ATOM 787 CA VAL A 50 3.744 -5.600 2.750 1.00 0.00 C ATOM 788 C VAL A 50 4.505 -5.545 1.425 1.00 0.00 C ATOM 789 O VAL A 50 4.228 -6.302 0.514 1.00 0.00 O ATOM 790 CB VAL A 50 3.350 -7.055 3.033 1.00 0.00 C ATOM 791 CG1 VAL A 50 4.609 -7.914 3.196 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.518 -7.120 4.317 1.00 0.00 C ATOM 0 H VAL A 50 1.647 -5.300 2.463 1.00 0.00 H new ATOM 0 HA VAL A 50 4.379 -5.212 3.546 1.00 0.00 H new ATOM 0 HB VAL A 50 2.762 -7.435 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.322 -8.946 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.199 -7.873 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.203 -7.535 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.238 -8.154 4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.105 -6.735 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.618 -6.517 4.198 1.00 0.00 H new ATOM 802 N GLY A 51 5.457 -4.656 1.298 1.00 0.00 N ATOM 803 CA GLY A 51 6.218 -4.558 0.020 1.00 0.00 C ATOM 804 C GLY A 51 7.462 -5.445 0.072 1.00 0.00 C ATOM 805 O GLY A 51 7.568 -6.418 -0.651 1.00 0.00 O ATOM 0 H GLY A 51 5.738 -3.996 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.583 -4.860 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.509 -3.523 -0.159 1.00 0.00 H new ATOM 809 N GLU A 52 8.414 -5.109 0.904 1.00 0.00 N ATOM 810 CA GLU A 52 9.664 -5.926 0.974 1.00 0.00 C ATOM 811 C GLU A 52 9.452 -7.162 1.863 1.00 0.00 C ATOM 812 O GLU A 52 8.353 -7.664 1.997 1.00 0.00 O ATOM 813 CB GLU A 52 10.802 -5.057 1.533 1.00 0.00 C ATOM 814 CG GLU A 52 11.928 -4.951 0.496 1.00 0.00 C ATOM 815 CD GLU A 52 13.269 -5.293 1.152 1.00 0.00 C ATOM 816 OE1 GLU A 52 13.826 -4.425 1.801 1.00 0.00 O ATOM 817 OE2 GLU A 52 13.716 -6.417 0.988 1.00 0.00 O ATOM 0 H GLU A 52 8.381 -4.308 1.535 1.00 0.00 H new ATOM 0 HA GLU A 52 9.925 -6.270 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.427 -4.064 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.185 -5.492 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.735 -5.630 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.961 -3.943 0.083 1.00 0.00 H new ATOM 824 N ASN A 53 10.508 -7.647 2.466 1.00 0.00 N ATOM 825 CA ASN A 53 10.401 -8.844 3.353 1.00 0.00 C ATOM 826 C ASN A 53 10.929 -8.495 4.751 1.00 0.00 C ATOM 827 O ASN A 53 10.181 -8.483 5.709 1.00 0.00 O ATOM 828 CB ASN A 53 11.201 -10.011 2.762 1.00 0.00 C ATOM 829 CG ASN A 53 10.243 -10.994 2.084 1.00 0.00 C ATOM 830 OD1 ASN A 53 9.440 -11.627 2.740 1.00 0.00 O ATOM 831 ND2 ASN A 53 10.294 -11.150 0.790 1.00 0.00 N ATOM 0 H ASN A 53 11.448 -7.261 2.380 1.00 0.00 H new ATOM 0 HA ASN A 53 9.355 -9.143 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.928 -9.639 2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.762 -10.517 3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.660 -11.803 0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.968 -10.619 0.238 1.00 0.00 H new ATOM 838 N PRO A 54 12.207 -8.206 4.872 1.00 0.00 N ATOM 839 CA PRO A 54 12.828 -7.845 6.183 1.00 0.00 C ATOM 840 C PRO A 54 12.382 -6.462 6.670 1.00 0.00 C ATOM 841 O PRO A 54 12.979 -5.884 7.558 1.00 0.00 O ATOM 842 CB PRO A 54 14.331 -7.849 5.892 1.00 0.00 C ATOM 843 CG PRO A 54 14.448 -7.587 4.428 1.00 0.00 C ATOM 844 CD PRO A 54 13.202 -8.191 3.781 1.00 0.00 C ATOM 0 HA PRO A 54 12.538 -8.538 6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.846 -7.083 6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.781 -8.806 6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.509 -6.517 4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.354 -8.039 4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.860 -7.592 2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.395 -9.195 3.403 1.00 0.00 H new ATOM 852 N GLY A 55 11.336 -5.930 6.095 1.00 0.00 N ATOM 853 CA GLY A 55 10.848 -4.588 6.516 1.00 0.00 C ATOM 854 C GLY A 55 10.369 -4.639 7.965 1.00 0.00 C ATOM 855 O GLY A 55 9.982 -5.676 8.468 1.00 0.00 O ATOM 0 H GLY A 55 10.798 -6.371 5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.646 -3.853 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.034 -4.267 5.866 1.00 0.00 H new ATOM 859 N SER A 56 10.394 -3.517 8.635 1.00 0.00 N ATOM 860 CA SER A 56 9.940 -3.471 10.055 1.00 0.00 C ATOM 861 C SER A 56 8.456 -3.845 10.129 1.00 0.00 C ATOM 862 O SER A 56 7.895 -3.989 11.197 1.00 0.00 O ATOM 863 CB SER A 56 10.146 -2.058 10.600 1.00 0.00 C ATOM 864 OG SER A 56 11.538 -1.812 10.753 1.00 0.00 O ATOM 0 H SER A 56 10.712 -2.625 8.256 1.00 0.00 H new ATOM 0 HA SER A 56 10.517 -4.178 10.651 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.708 -1.326 9.921 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.638 -1.948 11.558 1.00 0.00 H new ATOM 0 HG SER A 56 11.674 -0.906 11.101 1.00 0.00 H new ATOM 870 N LYS A 57 7.824 -4.006 8.993 1.00 0.00 N ATOM 871 CA LYS A 57 6.376 -4.374 8.968 1.00 0.00 C ATOM 872 C LYS A 57 6.132 -5.610 9.831 1.00 0.00 C ATOM 873 O LYS A 57 5.017 -5.884 10.213 1.00 0.00 O ATOM 874 CB LYS A 57 5.950 -4.683 7.532 1.00 0.00 C ATOM 875 CG LYS A 57 6.830 -5.804 6.959 1.00 0.00 C ATOM 876 CD LYS A 57 6.244 -6.297 5.630 1.00 0.00 C ATOM 877 CE LYS A 57 7.376 -6.586 4.636 1.00 0.00 C ATOM 878 NZ LYS A 57 7.309 -5.615 3.504 1.00 0.00 N ATOM 0 H LYS A 57 8.254 -3.897 8.074 1.00 0.00 H new ATOM 0 HA LYS A 57 5.796 -3.538 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.902 -4.983 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.038 -3.788 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.846 -5.439 6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.891 -6.629 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.654 -7.199 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.570 -5.546 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.341 -6.510 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.291 -7.605 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.076 -6.121 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.575 -4.904 3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.229 -5.142 3.397 1.00 0.00 H new ATOM 892 N LEU A 58 7.163 -6.360 10.129 1.00 0.00 N ATOM 893 CA LEU A 58 6.988 -7.590 10.958 1.00 0.00 C ATOM 894 C LEU A 58 6.060 -7.291 12.140 1.00 0.00 C ATOM 895 O LEU A 58 5.418 -8.174 12.673 1.00 0.00 O ATOM 896 CB LEU A 58 8.354 -8.047 11.478 1.00 0.00 C ATOM 897 CG LEU A 58 8.231 -9.446 12.095 1.00 0.00 C ATOM 898 CD1 LEU A 58 9.346 -10.347 11.556 1.00 0.00 C ATOM 899 CD2 LEU A 58 8.350 -9.343 13.620 1.00 0.00 C ATOM 0 H LEU A 58 8.121 -6.172 9.833 1.00 0.00 H new ATOM 0 HA LEU A 58 6.546 -8.379 10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.078 -8.061 10.663 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.725 -7.342 12.222 1.00 0.00 H new ATOM 0 HG LEU A 58 7.263 -9.873 11.832 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.256 -11.340 11.996 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.261 -10.422 10.472 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.315 -9.921 11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.263 -10.337 14.060 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.317 -8.914 13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.554 -8.705 14.005 1.00 0.00 H new ATOM 911 N GLU A 59 5.973 -6.050 12.544 1.00 0.00 N ATOM 912 CA GLU A 59 5.080 -5.691 13.679 1.00 0.00 C ATOM 913 C GLU A 59 3.618 -5.772 13.229 1.00 0.00 C ATOM 914 O GLU A 59 2.854 -6.570 13.740 1.00 0.00 O ATOM 915 CB GLU A 59 5.401 -4.267 14.144 1.00 0.00 C ATOM 916 CG GLU A 59 4.700 -3.985 15.476 1.00 0.00 C ATOM 917 CD GLU A 59 5.601 -4.426 16.634 1.00 0.00 C ATOM 918 OE1 GLU A 59 6.568 -3.733 16.905 1.00 0.00 O ATOM 919 OE2 GLU A 59 5.309 -5.450 17.230 1.00 0.00 O ATOM 0 H GLU A 59 6.485 -5.269 12.133 1.00 0.00 H new ATOM 0 HA GLU A 59 5.239 -6.386 14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.478 -4.146 14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.076 -3.547 13.392 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.474 -2.922 15.562 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.750 -4.517 15.518 1.00 0.00 H new ATOM 926 N LYS A 60 3.211 -4.959 12.283 1.00 0.00 N ATOM 927 CA LYS A 60 1.789 -5.016 11.834 1.00 0.00 C ATOM 928 C LYS A 60 1.613 -6.120 10.792 1.00 0.00 C ATOM 929 O LYS A 60 0.553 -6.695 10.676 1.00 0.00 O ATOM 930 CB LYS A 60 1.363 -3.679 11.223 1.00 0.00 C ATOM 931 CG LYS A 60 -0.158 -3.515 11.370 1.00 0.00 C ATOM 932 CD LYS A 60 -0.467 -2.703 12.628 1.00 0.00 C ATOM 933 CE LYS A 60 -1.912 -2.197 12.572 1.00 0.00 C ATOM 934 NZ LYS A 60 -2.059 -1.229 11.448 1.00 0.00 N ATOM 0 H LYS A 60 3.794 -4.269 11.810 1.00 0.00 H new ATOM 0 HA LYS A 60 1.166 -5.227 12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.879 -2.858 11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.644 -3.641 10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.566 -3.014 10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.635 -4.493 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.321 -3.319 13.515 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.221 -1.861 12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.596 -3.034 12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.177 -1.718 13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.831 -0.565 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.171 -0.701 11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.278 -1.745 10.572 1.00 0.00 H new ATOM 948 N ALA A 61 2.637 -6.426 10.039 1.00 0.00 N ATOM 949 CA ALA A 61 2.510 -7.499 9.010 1.00 0.00 C ATOM 950 C ALA A 61 2.292 -8.840 9.705 1.00 0.00 C ATOM 951 O ALA A 61 1.540 -9.671 9.231 1.00 0.00 O ATOM 952 CB ALA A 61 3.769 -7.565 8.151 1.00 0.00 C ATOM 0 H ALA A 61 3.553 -5.981 10.092 1.00 0.00 H new ATOM 0 HA ALA A 61 1.660 -7.274 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.660 -8.353 7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.918 -6.609 7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.630 -7.781 8.783 1.00 0.00 H new ATOM 958 N ARG A 62 2.911 -9.062 10.838 1.00 0.00 N ATOM 959 CA ARG A 62 2.686 -10.345 11.555 1.00 0.00 C ATOM 960 C ARG A 62 1.302 -10.267 12.192 1.00 0.00 C ATOM 961 O ARG A 62 0.538 -11.204 12.136 1.00 0.00 O ATOM 962 CB ARG A 62 3.752 -10.531 12.641 1.00 0.00 C ATOM 963 CG ARG A 62 3.593 -11.905 13.304 1.00 0.00 C ATOM 964 CD ARG A 62 4.191 -12.989 12.402 1.00 0.00 C ATOM 965 NE ARG A 62 5.668 -12.802 12.308 1.00 0.00 N ATOM 966 CZ ARG A 62 6.328 -13.308 11.303 1.00 0.00 C ATOM 967 NH1 ARG A 62 6.813 -14.518 11.383 1.00 0.00 N ATOM 968 NH2 ARG A 62 6.504 -12.604 10.218 1.00 0.00 N ATOM 0 H ARG A 62 3.556 -8.414 11.291 1.00 0.00 H new ATOM 0 HA ARG A 62 2.751 -11.190 10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.747 -10.442 12.204 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.661 -9.744 13.390 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.091 -11.911 14.274 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.538 -12.111 13.486 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.964 -13.977 12.804 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.744 -12.938 11.409 1.00 0.00 H new ATOM 0 HE ARG A 62 6.162 -12.278 13.030 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.676 -15.067 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.329 -14.914 10.597 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.126 -11.659 10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.020 -12.999 9.432 1.00 0.00 H new ATOM 982 N ALA A 63 0.979 -9.115 12.743 1.00 0.00 N ATOM 983 CA ALA A 63 -0.368 -8.865 13.362 1.00 0.00 C ATOM 984 C ALA A 63 -0.932 -10.090 14.091 1.00 0.00 C ATOM 985 O ALA A 63 -1.297 -11.081 13.489 1.00 0.00 O ATOM 986 CB ALA A 63 -1.343 -8.454 12.263 1.00 0.00 C ATOM 0 H ALA A 63 1.612 -8.316 12.790 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.242 -8.077 14.105 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.325 -8.269 12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.984 -7.546 11.779 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.418 -9.253 11.525 1.00 0.00 H new ATOM 992 N LEU A 64 -1.059 -10.008 15.386 1.00 0.00 N ATOM 993 CA LEU A 64 -1.637 -11.144 16.150 1.00 0.00 C ATOM 994 C LEU A 64 -3.165 -11.022 16.140 1.00 0.00 C ATOM 995 O LEU A 64 -3.824 -11.226 17.142 1.00 0.00 O ATOM 996 CB LEU A 64 -1.125 -11.105 17.591 1.00 0.00 C ATOM 997 CG LEU A 64 -1.571 -12.379 18.313 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.447 -13.419 18.270 1.00 0.00 C ATOM 999 CD2 LEU A 64 -1.913 -12.052 19.771 1.00 0.00 C ATOM 0 H LEU A 64 -0.786 -9.201 15.948 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.340 -12.088 15.693 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.038 -11.027 17.602 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.513 -10.226 18.105 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.453 -12.782 17.816 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.769 -14.324 18.785 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.210 -13.656 17.233 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.439 -13.018 18.762 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.230 -12.961 20.283 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.033 -11.644 20.268 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.719 -11.319 19.800 1.00 0.00 H new ATOM 1011 N GLY A 65 -3.733 -10.678 15.015 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.209 -10.534 14.937 1.00 0.00 C ATOM 1013 C GLY A 65 -5.530 -9.392 13.981 1.00 0.00 C ATOM 1014 O GLY A 65 -6.629 -9.276 13.472 1.00 0.00 O ATOM 0 H GLY A 65 -3.233 -10.491 14.146 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.663 -11.461 14.587 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.623 -10.330 15.924 1.00 0.00 H new ATOM 1018 N VAL A 66 -4.571 -8.536 13.749 1.00 0.00 N ATOM 1019 CA VAL A 66 -4.804 -7.377 12.838 1.00 0.00 C ATOM 1020 C VAL A 66 -4.707 -7.833 11.373 1.00 0.00 C ATOM 1021 O VAL A 66 -3.872 -8.642 11.021 1.00 0.00 O ATOM 1022 CB VAL A 66 -3.760 -6.277 13.107 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -4.429 -4.898 13.031 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -3.150 -6.463 14.502 1.00 0.00 C ATOM 0 H VAL A 66 -3.635 -8.589 14.151 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.801 -6.978 13.025 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.974 -6.346 12.355 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.687 -4.123 13.222 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.856 -4.755 12.038 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.220 -4.835 13.779 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.413 -5.681 14.684 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.937 -6.402 15.254 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.666 -7.438 14.561 1.00 0.00 H new ATOM 1034 N PRO A 67 -5.557 -7.311 10.521 1.00 0.00 N ATOM 1035 CA PRO A 67 -5.566 -7.661 9.071 1.00 0.00 C ATOM 1036 C PRO A 67 -4.468 -6.924 8.289 1.00 0.00 C ATOM 1037 O PRO A 67 -4.487 -5.721 8.167 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.949 -7.210 8.598 1.00 0.00 C ATOM 1039 CG PRO A 67 -7.368 -6.126 9.541 1.00 0.00 C ATOM 1040 CD PRO A 67 -6.608 -6.334 10.853 1.00 0.00 C ATOM 0 HA PRO A 67 -5.373 -8.722 8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.911 -6.843 7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.657 -8.038 8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.145 -5.145 9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.444 -6.162 9.712 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.180 -5.399 11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.265 -6.710 11.637 1.00 0.00 H new ATOM 1048 N THR A 68 -3.523 -7.645 7.746 1.00 0.00 N ATOM 1049 CA THR A 68 -2.428 -6.994 6.960 1.00 0.00 C ATOM 1050 C THR A 68 -2.706 -7.191 5.471 1.00 0.00 C ATOM 1051 O THR A 68 -3.089 -8.266 5.049 1.00 0.00 O ATOM 1052 CB THR A 68 -1.090 -7.644 7.327 1.00 0.00 C ATOM 1053 OG1 THR A 68 -0.959 -8.888 6.650 1.00 0.00 O ATOM 1054 CG2 THR A 68 -1.042 -7.875 8.837 1.00 0.00 C ATOM 0 H THR A 68 -3.460 -8.661 7.812 1.00 0.00 H new ATOM 0 HA THR A 68 -2.385 -5.929 7.187 1.00 0.00 H new ATOM 0 HB THR A 68 -0.272 -6.988 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.102 -9.300 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.092 -8.338 9.104 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.139 -6.921 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.861 -8.532 9.131 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.528 -6.175 4.663 1.00 0.00 N ATOM 1063 CA LEU A 69 -2.798 -6.334 3.205 1.00 0.00 C ATOM 1064 C LEU A 69 -1.472 -6.426 2.448 1.00 0.00 C ATOM 1065 O LEU A 69 -0.617 -5.571 2.558 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.604 -5.135 2.695 1.00 0.00 C ATOM 1067 CG LEU A 69 -4.921 -5.626 2.084 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -5.959 -5.828 3.193 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -5.439 -4.591 1.082 1.00 0.00 C ATOM 0 H LEU A 69 -2.210 -5.249 4.950 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.372 -7.246 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.806 -4.444 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.028 -4.586 1.950 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.750 -6.573 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.895 -6.177 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.592 -6.568 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.130 -4.883 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.376 -4.941 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.608 -3.643 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.703 -4.451 0.291 1.00 0.00 H new ATOM 1081 N THR A 70 -1.297 -7.470 1.688 1.00 0.00 N ATOM 1082 CA THR A 70 -0.030 -7.648 0.924 1.00 0.00 C ATOM 1083 C THR A 70 0.120 -6.543 -0.127 1.00 0.00 C ATOM 1084 O THR A 70 -0.843 -6.126 -0.742 1.00 0.00 O ATOM 1085 CB THR A 70 -0.069 -8.998 0.211 1.00 0.00 C ATOM 1086 OG1 THR A 70 -0.633 -9.976 1.076 1.00 0.00 O ATOM 1087 CG2 THR A 70 1.349 -9.418 -0.184 1.00 0.00 C ATOM 0 H THR A 70 -1.983 -8.214 1.562 1.00 0.00 H new ATOM 0 HA THR A 70 0.811 -7.601 1.616 1.00 0.00 H new ATOM 0 HB THR A 70 -0.680 -8.912 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.660 -10.842 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.315 -10.382 -0.692 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.777 -8.671 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.966 -9.501 0.710 1.00 0.00 H new ATOM 1095 N GLU A 71 1.326 -6.087 -0.358 1.00 0.00 N ATOM 1096 CA GLU A 71 1.541 -5.035 -1.393 1.00 0.00 C ATOM 1097 C GLU A 71 1.222 -5.630 -2.765 1.00 0.00 C ATOM 1098 O GLU A 71 0.965 -4.919 -3.715 1.00 0.00 O ATOM 1099 CB GLU A 71 2.996 -4.555 -1.370 1.00 0.00 C ATOM 1100 CG GLU A 71 3.136 -3.305 -2.246 1.00 0.00 C ATOM 1101 CD GLU A 71 4.422 -2.557 -1.877 1.00 0.00 C ATOM 1102 OE1 GLU A 71 4.377 -1.749 -0.964 1.00 0.00 O ATOM 1103 OE2 GLU A 71 5.431 -2.805 -2.516 1.00 0.00 O ATOM 0 H GLU A 71 2.168 -6.398 0.126 1.00 0.00 H new ATOM 0 HA GLU A 71 0.891 -4.184 -1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.300 -4.331 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.656 -5.343 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.157 -3.587 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.273 -2.654 -2.108 1.00 0.00 H new ATOM 1110 N GLU A 72 1.238 -6.936 -2.867 1.00 0.00 N ATOM 1111 CA GLU A 72 0.930 -7.597 -4.173 1.00 0.00 C ATOM 1112 C GLU A 72 -0.354 -6.996 -4.753 1.00 0.00 C ATOM 1113 O GLU A 72 -0.380 -6.531 -5.877 1.00 0.00 O ATOM 1114 CB GLU A 72 0.737 -9.102 -3.946 1.00 0.00 C ATOM 1115 CG GLU A 72 0.432 -9.798 -5.278 1.00 0.00 C ATOM 1116 CD GLU A 72 0.097 -11.271 -5.023 1.00 0.00 C ATOM 1117 OE1 GLU A 72 0.964 -11.980 -4.536 1.00 0.00 O ATOM 1118 OE2 GLU A 72 -1.019 -11.665 -5.318 1.00 0.00 O ATOM 0 H GLU A 72 1.452 -7.574 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 72 1.753 -7.438 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.635 -9.529 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.079 -9.271 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.404 -9.305 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.290 -9.720 -5.946 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.417 -6.995 -3.989 1.00 0.00 N ATOM 1126 CA GLU A 73 -2.701 -6.417 -4.483 1.00 0.00 C ATOM 1127 C GLU A 73 -2.486 -4.943 -4.831 1.00 0.00 C ATOM 1128 O GLU A 73 -3.112 -4.407 -5.725 1.00 0.00 O ATOM 1129 CB GLU A 73 -3.768 -6.532 -3.390 1.00 0.00 C ATOM 1130 CG GLU A 73 -4.386 -7.934 -3.420 1.00 0.00 C ATOM 1131 CD GLU A 73 -5.428 -8.013 -4.539 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -6.514 -7.489 -4.349 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -5.123 -8.594 -5.567 1.00 0.00 O ATOM 0 H GLU A 73 -1.450 -7.371 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.031 -6.960 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.324 -6.340 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.542 -5.779 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.609 -8.681 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.851 -8.158 -2.460 1.00 0.00 H new ATOM 1140 N LEU A 74 -1.595 -4.290 -4.131 1.00 0.00 N ATOM 1141 CA LEU A 74 -1.319 -2.852 -4.411 1.00 0.00 C ATOM 1142 C LEU A 74 -0.867 -2.701 -5.866 1.00 0.00 C ATOM 1143 O LEU A 74 -1.426 -1.929 -6.623 1.00 0.00 O ATOM 1144 CB LEU A 74 -0.209 -2.358 -3.473 1.00 0.00 C ATOM 1145 CG LEU A 74 -0.486 -0.917 -3.026 1.00 0.00 C ATOM 1146 CD1 LEU A 74 -0.577 0.001 -4.251 1.00 0.00 C ATOM 1147 CD2 LEU A 74 -1.801 -0.866 -2.239 1.00 0.00 C ATOM 0 H LEU A 74 -1.044 -4.695 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.221 -2.263 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.144 -3.009 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.754 -2.409 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 74 0.329 -0.577 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.774 1.023 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.364 -0.030 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.386 -0.336 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.996 0.159 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.618 -1.212 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.725 -1.509 -1.362 1.00 0.00 H new ATOM 1159 N TYR A 75 0.139 -3.440 -6.262 1.00 0.00 N ATOM 1160 CA TYR A 75 0.633 -3.352 -7.668 1.00 0.00 C ATOM 1161 C TYR A 75 -0.496 -3.720 -8.632 1.00 0.00 C ATOM 1162 O TYR A 75 -0.627 -3.144 -9.693 1.00 0.00 O ATOM 1163 CB TYR A 75 1.797 -4.330 -7.860 1.00 0.00 C ATOM 1164 CG TYR A 75 3.021 -3.817 -7.134 1.00 0.00 C ATOM 1165 CD1 TYR A 75 3.641 -2.633 -7.554 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.537 -4.530 -6.046 1.00 0.00 C ATOM 1167 CE1 TYR A 75 4.777 -2.163 -6.884 1.00 0.00 C ATOM 1168 CE2 TYR A 75 4.673 -4.060 -5.377 1.00 0.00 C ATOM 1169 CZ TYR A 75 5.293 -2.876 -5.796 1.00 0.00 C ATOM 1170 OH TYR A 75 6.413 -2.412 -5.136 1.00 0.00 O ATOM 0 H TYR A 75 0.640 -4.102 -5.669 1.00 0.00 H new ATOM 0 HA TYR A 75 0.969 -2.335 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.523 -5.314 -7.480 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.015 -4.447 -8.922 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.243 -2.083 -8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.059 -5.443 -5.723 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.255 -1.250 -7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.072 -4.610 -4.538 1.00 0.00 H new ATOM 0 HH TYR A 75 6.268 -2.466 -4.168 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.304 -4.687 -8.276 1.00 0.00 N ATOM 1181 CA ARG A 76 -2.419 -5.112 -9.173 1.00 0.00 C ATOM 1182 C ARG A 76 -3.337 -3.923 -9.490 1.00 0.00 C ATOM 1183 O ARG A 76 -3.268 -3.349 -10.559 1.00 0.00 O ATOM 1184 CB ARG A 76 -3.222 -6.219 -8.479 1.00 0.00 C ATOM 1185 CG ARG A 76 -4.273 -6.782 -9.440 1.00 0.00 C ATOM 1186 CD ARG A 76 -5.113 -7.839 -8.717 1.00 0.00 C ATOM 1187 NE ARG A 76 -5.852 -8.658 -9.719 1.00 0.00 N ATOM 1188 CZ ARG A 76 -6.661 -9.602 -9.321 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -6.194 -10.627 -8.664 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -7.937 -9.519 -9.577 1.00 0.00 N ATOM 0 H ARG A 76 -1.238 -5.202 -7.398 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.005 -5.485 -10.110 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.553 -7.015 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.707 -5.823 -7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.914 -5.980 -9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.786 -7.222 -10.311 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.470 -8.478 -8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.815 -7.358 -8.036 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.726 -8.481 -10.716 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.196 -10.691 -8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.826 -11.365 -8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.303 -8.716 -10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.569 -10.257 -9.266 1.00 0.00 H new ATOM 1204 N LEU A 77 -4.225 -3.582 -8.587 1.00 0.00 N ATOM 1205 CA LEU A 77 -5.185 -2.465 -8.848 1.00 0.00 C ATOM 1206 C LEU A 77 -4.448 -1.233 -9.391 1.00 0.00 C ATOM 1207 O LEU A 77 -5.032 -0.408 -10.063 1.00 0.00 O ATOM 1208 CB LEU A 77 -5.911 -2.097 -7.545 1.00 0.00 C ATOM 1209 CG LEU A 77 -6.970 -3.157 -7.200 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -7.946 -3.326 -8.371 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -6.290 -4.499 -6.905 1.00 0.00 C ATOM 0 H LEU A 77 -4.326 -4.032 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.909 -2.794 -9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.191 -2.016 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.385 -1.121 -7.649 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.520 -2.829 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.692 -4.079 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.442 -2.376 -8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.398 -3.643 -9.258 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.047 -5.245 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.730 -4.824 -7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.609 -4.384 -6.062 1.00 0.00 H new ATOM 1223 N LEU A 78 -3.175 -1.105 -9.122 1.00 0.00 N ATOM 1224 CA LEU A 78 -2.420 0.073 -9.645 1.00 0.00 C ATOM 1225 C LEU A 78 -2.050 -0.170 -11.113 1.00 0.00 C ATOM 1226 O LEU A 78 -2.417 0.590 -11.987 1.00 0.00 O ATOM 1227 CB LEU A 78 -1.145 0.274 -8.816 1.00 0.00 C ATOM 1228 CG LEU A 78 -0.406 1.532 -9.290 1.00 0.00 C ATOM 1229 CD1 LEU A 78 -1.143 2.784 -8.799 1.00 0.00 C ATOM 1230 CD2 LEU A 78 1.018 1.528 -8.726 1.00 0.00 C ATOM 0 H LEU A 78 -2.627 -1.761 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.041 0.966 -9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.398 0.367 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.497 -0.597 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.370 1.539 -10.379 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.614 3.674 -9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.157 2.790 -9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.183 2.779 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.545 2.421 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.978 1.518 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.546 0.642 -9.078 1.00 0.00 H new ATOM 1242 N GLU A 79 -1.314 -1.220 -11.382 1.00 0.00 N ATOM 1243 CA GLU A 79 -0.899 -1.524 -12.787 1.00 0.00 C ATOM 1244 C GLU A 79 -2.109 -1.467 -13.727 1.00 0.00 C ATOM 1245 O GLU A 79 -2.008 -1.002 -14.846 1.00 0.00 O ATOM 1246 CB GLU A 79 -0.274 -2.921 -12.846 1.00 0.00 C ATOM 1247 CG GLU A 79 0.756 -2.973 -13.978 1.00 0.00 C ATOM 1248 CD GLU A 79 1.351 -4.381 -14.069 1.00 0.00 C ATOM 1249 OE1 GLU A 79 0.657 -5.267 -14.541 1.00 0.00 O ATOM 1250 OE2 GLU A 79 2.490 -4.549 -13.664 1.00 0.00 O ATOM 0 H GLU A 79 -0.980 -1.884 -10.684 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.169 -0.780 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.203 -3.158 -11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.048 -3.671 -13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.285 -2.705 -14.924 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.546 -2.245 -13.797 1.00 0.00 H new ATOM 1257 N ALA A 80 -3.253 -1.925 -13.283 1.00 0.00 N ATOM 1258 CA ALA A 80 -4.459 -1.878 -14.161 1.00 0.00 C ATOM 1259 C ALA A 80 -4.994 -0.446 -14.173 1.00 0.00 C ATOM 1260 O ALA A 80 -4.968 0.223 -15.188 1.00 0.00 O ATOM 1261 CB ALA A 80 -5.531 -2.826 -13.611 1.00 0.00 C ATOM 0 H ALA A 80 -3.402 -2.326 -12.357 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.199 -2.187 -15.173 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.411 -2.791 -14.253 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.140 -3.843 -13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.805 -2.519 -12.602 1.00 0.00 H new ATOM 1267 N ARG A 81 -5.482 0.018 -13.049 1.00 0.00 N ATOM 1268 CA ARG A 81 -6.025 1.410 -12.969 1.00 0.00 C ATOM 1269 C ARG A 81 -5.131 2.350 -13.786 1.00 0.00 C ATOM 1270 O ARG A 81 -5.604 3.111 -14.609 1.00 0.00 O ATOM 1271 CB ARG A 81 -6.051 1.865 -11.505 1.00 0.00 C ATOM 1272 CG ARG A 81 -6.814 3.190 -11.385 1.00 0.00 C ATOM 1273 CD ARG A 81 -5.842 4.369 -11.523 1.00 0.00 C ATOM 1274 NE ARG A 81 -6.109 5.088 -12.799 1.00 0.00 N ATOM 1275 CZ ARG A 81 -6.634 6.281 -12.779 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -7.862 6.445 -12.370 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -5.930 7.310 -13.162 1.00 0.00 N ATOM 0 H ARG A 81 -5.528 -0.511 -12.178 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.038 1.432 -13.371 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.527 1.104 -10.887 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.033 1.986 -11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.582 3.248 -12.157 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.325 3.239 -10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.957 5.049 -10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.813 4.010 -11.504 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.881 4.647 -13.690 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.410 5.640 -12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.274 7.378 -12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.969 7.181 -13.477 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.341 8.243 -13.146 1.00 0.00 H new ATOM 1291 N THR A 82 -3.841 2.281 -13.580 1.00 0.00 N ATOM 1292 CA THR A 82 -2.906 3.149 -14.355 1.00 0.00 C ATOM 1293 C THR A 82 -2.952 2.732 -15.827 1.00 0.00 C ATOM 1294 O THR A 82 -3.129 3.548 -16.710 1.00 0.00 O ATOM 1295 CB THR A 82 -1.480 2.973 -13.817 1.00 0.00 C ATOM 1296 OG1 THR A 82 -1.468 3.229 -12.419 1.00 0.00 O ATOM 1297 CG2 THR A 82 -0.536 3.949 -14.524 1.00 0.00 C ATOM 0 H THR A 82 -3.394 1.659 -12.906 1.00 0.00 H new ATOM 0 HA THR A 82 -3.200 4.194 -14.256 1.00 0.00 H new ATOM 0 HB THR A 82 -1.147 1.952 -14.004 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.776 2.433 -11.938 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.476 3.820 -14.139 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.544 3.751 -15.596 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.866 4.972 -14.342 1.00 0.00 H new ATOM 1305 N GLY A 83 -2.795 1.462 -16.087 1.00 0.00 N ATOM 1306 CA GLY A 83 -2.828 0.967 -17.495 1.00 0.00 C ATOM 1307 C GLY A 83 -1.407 0.936 -18.060 1.00 0.00 C ATOM 1308 O GLY A 83 -1.206 0.786 -19.249 1.00 0.00 O ATOM 0 H GLY A 83 -2.644 0.741 -15.381 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.266 -0.030 -17.531 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.459 1.614 -18.104 1.00 0.00 H new ATOM 1312 N LYS A 84 -0.421 1.073 -17.211 1.00 0.00 N ATOM 1313 CA LYS A 84 0.994 1.050 -17.684 1.00 0.00 C ATOM 1314 C LYS A 84 1.885 0.496 -16.567 1.00 0.00 C ATOM 1315 O LYS A 84 1.489 0.446 -15.418 1.00 0.00 O ATOM 1316 CB LYS A 84 1.432 2.477 -18.037 1.00 0.00 C ATOM 1317 CG LYS A 84 2.880 2.467 -18.542 1.00 0.00 C ATOM 1318 CD LYS A 84 3.240 3.846 -19.108 1.00 0.00 C ATOM 1319 CE LYS A 84 3.732 4.757 -17.978 1.00 0.00 C ATOM 1320 NZ LYS A 84 2.572 5.217 -17.163 1.00 0.00 N ATOM 0 H LYS A 84 -0.537 1.200 -16.206 1.00 0.00 H new ATOM 0 HA LYS A 84 1.082 0.417 -18.567 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.774 2.891 -18.801 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.347 3.120 -17.161 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.557 2.209 -17.728 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.002 1.704 -19.311 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.013 3.746 -19.870 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.370 4.289 -19.592 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.442 4.220 -17.348 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.260 5.615 -18.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.693 6.221 -16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.695 5.095 -17.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.517 4.656 -16.289 1.00 0.00 H new ATOM 1334 N LYS A 85 3.085 0.084 -16.893 1.00 0.00 N ATOM 1335 CA LYS A 85 3.997 -0.462 -15.846 1.00 0.00 C ATOM 1336 C LYS A 85 4.323 0.646 -14.842 1.00 0.00 C ATOM 1337 O LYS A 85 5.226 1.436 -15.046 1.00 0.00 O ATOM 1338 CB LYS A 85 5.295 -0.949 -16.500 1.00 0.00 C ATOM 1339 CG LYS A 85 5.013 -2.189 -17.355 1.00 0.00 C ATOM 1340 CD LYS A 85 5.780 -2.093 -18.680 1.00 0.00 C ATOM 1341 CE LYS A 85 7.271 -2.351 -18.440 1.00 0.00 C ATOM 1342 NZ LYS A 85 7.987 -1.051 -18.295 1.00 0.00 N ATOM 0 H LYS A 85 3.470 0.103 -17.837 1.00 0.00 H new ATOM 0 HA LYS A 85 3.513 -1.295 -15.336 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.720 -0.159 -17.119 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.033 -1.185 -15.733 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.311 -3.089 -16.816 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.944 -2.273 -17.549 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.386 -2.819 -19.391 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.639 -1.106 -19.121 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.406 -2.954 -17.542 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.691 -2.918 -19.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.005 -1.195 -18.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.620 -0.373 -18.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.836 -0.677 -17.336 1.00 0.00 H new ATOM 1356 N ALA A 86 3.588 0.716 -13.763 1.00 0.00 N ATOM 1357 CA ALA A 86 3.842 1.775 -12.746 1.00 0.00 C ATOM 1358 C ALA A 86 5.235 1.585 -12.141 1.00 0.00 C ATOM 1359 O ALA A 86 5.899 2.538 -11.781 1.00 0.00 O ATOM 1360 CB ALA A 86 2.790 1.678 -11.640 1.00 0.00 C ATOM 0 H ALA A 86 2.820 0.082 -13.543 1.00 0.00 H new ATOM 0 HA ALA A 86 3.785 2.754 -13.221 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.973 2.452 -10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.797 1.815 -12.069 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.848 0.698 -11.167 1.00 0.00 H new