USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 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 Single : A 4 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.712 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -104:sc= -5.16! (180deg=-11.3!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0359) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.3!) USER MOD Single : A 49 GLN : amide:sc= -0.547 K(o=-0.55,f=-1.8) USER MOD Single : A 50 GLN : amide:sc=-0.00514 K(o=-0.0051,f=-2.9!) USER MOD Single : A 53 SER OG : rot 32:sc= 0.485 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -164:sc= 0.78 USER MOD Single : A 62 SER OG : rot -171:sc= -0.355! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 70 ASN : amide:sc= -1 K(o=-1,f=-0.33) USER MOD Single : A 77 TYR OH : rot -140:sc= -0.969 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 88 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.751 3.575 3.907 1.00 0.00 N ATOM 44 CA LEU A 3 -15.413 3.313 3.397 1.00 0.00 C ATOM 45 C LEU A 3 -14.337 4.009 4.235 1.00 0.00 C ATOM 46 O LEU A 3 -14.457 5.192 4.559 1.00 0.00 O ATOM 47 CB LEU A 3 -15.322 3.769 1.935 1.00 0.00 C ATOM 48 CG LEU A 3 -15.771 2.725 0.890 1.00 0.00 C ATOM 49 CD1 LEU A 3 -17.238 2.933 0.480 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.856 2.771 -0.331 1.00 0.00 C ATOM 0 HA LEU A 3 -15.232 2.240 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.929 4.666 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.291 4.051 1.723 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.696 1.738 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.520 2.181 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.878 2.839 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.358 3.927 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.184 2.030 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.897 3.764 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.832 2.552 -0.027 1.00 0.00 H new ATOM 62 N GLN A 4 -13.283 3.257 4.566 1.00 0.00 N ATOM 63 CA GLN A 4 -12.168 3.779 5.349 1.00 0.00 C ATOM 64 C GLN A 4 -10.876 3.041 4.983 1.00 0.00 C ATOM 65 O GLN A 4 -10.915 1.871 4.590 1.00 0.00 O ATOM 66 CB GLN A 4 -12.465 3.639 6.855 1.00 0.00 C ATOM 67 CG GLN A 4 -12.400 4.956 7.627 1.00 0.00 C ATOM 68 CD GLN A 4 -11.640 4.844 8.940 1.00 0.00 C ATOM 69 OE1 GLN A 4 -12.236 4.875 10.017 1.00 0.00 O ATOM 70 NE2 GLN A 4 -10.316 4.714 8.860 1.00 0.00 N ATOM 0 H GLN A 4 -13.182 2.278 4.299 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.039 4.837 5.120 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.457 3.205 6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.753 2.938 7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.924 5.713 7.003 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.414 5.301 7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.860 4.693 7.948 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.759 4.636 9.711 1.00 0.00 H new ATOM 79 N VAL A 5 -9.737 3.727 5.121 1.00 0.00 N ATOM 80 CA VAL A 5 -8.434 3.133 4.814 1.00 0.00 C ATOM 81 C VAL A 5 -7.341 3.758 5.679 1.00 0.00 C ATOM 82 O VAL A 5 -7.388 4.953 5.979 1.00 0.00 O ATOM 83 CB VAL A 5 -8.037 3.291 3.320 1.00 0.00 C ATOM 84 CG1 VAL A 5 -6.872 2.373 2.982 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.210 3.008 2.388 1.00 0.00 C ATOM 0 H VAL A 5 -9.692 4.694 5.443 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.528 2.069 5.030 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.736 4.328 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.605 2.495 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.015 2.628 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.159 1.338 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.890 3.130 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.559 1.987 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.021 3.705 2.601 1.00 0.00 H new ATOM 95 N ASP A 6 -6.359 2.943 6.073 1.00 0.00 N ATOM 96 CA ASP A 6 -5.248 3.415 6.901 1.00 0.00 C ATOM 97 C ASP A 6 -4.036 2.502 6.737 1.00 0.00 C ATOM 98 O ASP A 6 -4.161 1.282 6.828 1.00 0.00 O ATOM 99 CB ASP A 6 -5.670 3.479 8.372 1.00 0.00 C ATOM 100 CG ASP A 6 -6.433 4.748 8.699 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.057 5.818 8.176 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.407 4.672 9.479 1.00 0.00 O ATOM 0 H ASP A 6 -6.311 1.953 5.832 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.974 4.418 6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.290 2.614 8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.784 3.417 9.004 1.00 0.00 H new ATOM 107 N ILE A 7 -2.864 3.099 6.485 1.00 0.00 N ATOM 108 CA ILE A 7 -1.627 2.331 6.298 1.00 0.00 C ATOM 109 C ILE A 7 -0.690 2.491 7.500 1.00 0.00 C ATOM 110 O ILE A 7 -0.271 3.605 7.822 1.00 0.00 O ATOM 111 CB ILE A 7 -0.880 2.751 5.001 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.842 2.763 3.802 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.298 1.812 4.730 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.232 3.324 2.534 1.00 0.00 C ATOM 0 H ILE A 7 -2.747 4.109 6.406 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.918 1.284 6.208 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.492 3.760 5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.182 1.745 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.723 3.350 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.808 2.122 3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.995 1.852 5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.069 0.793 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.971 3.300 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.917 4.353 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.368 2.723 2.249 1.00 0.00 H new ATOM 126 N VAL A 8 -0.359 1.367 8.154 1.00 0.00 N ATOM 127 CA VAL A 8 0.534 1.371 9.312 1.00 0.00 C ATOM 128 C VAL A 8 1.917 0.815 8.911 1.00 0.00 C ATOM 129 O VAL A 8 1.985 -0.257 8.302 1.00 0.00 O ATOM 130 CB VAL A 8 -0.050 0.502 10.452 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.808 0.577 11.712 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.484 0.910 10.771 1.00 0.00 C ATOM 0 H VAL A 8 -0.701 0.442 7.895 1.00 0.00 H new ATOM 0 HA VAL A 8 0.636 2.398 9.662 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.049 -0.530 10.101 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.367 -0.046 12.490 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.814 0.221 11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.857 1.610 12.058 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.870 0.284 11.575 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.504 1.954 11.083 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.104 0.784 9.883 1.00 0.00 H new ATOM 142 N PRO A 9 3.050 1.509 9.234 1.00 0.00 N ATOM 143 CA PRO A 9 3.082 2.798 9.957 1.00 0.00 C ATOM 144 C PRO A 9 2.824 3.987 9.033 1.00 0.00 C ATOM 145 O PRO A 9 2.758 3.828 7.812 1.00 0.00 O ATOM 146 CB PRO A 9 4.513 2.840 10.486 1.00 0.00 C ATOM 147 CG PRO A 9 5.306 2.150 9.432 1.00 0.00 C ATOM 148 CD PRO A 9 4.418 1.056 8.897 1.00 0.00 C ATOM 0 HA PRO A 9 2.313 2.866 10.726 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.854 3.865 10.635 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.599 2.332 11.447 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.591 2.843 8.641 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.228 1.739 9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.543 0.930 7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.646 0.095 9.359 1.00 0.00 H new ATOM 156 N SER A 10 2.700 5.185 9.621 1.00 0.00 N ATOM 157 CA SER A 10 2.473 6.407 8.844 1.00 0.00 C ATOM 158 C SER A 10 3.726 6.755 8.041 1.00 0.00 C ATOM 159 O SER A 10 3.641 7.130 6.869 1.00 0.00 O ATOM 160 CB SER A 10 2.096 7.571 9.762 1.00 0.00 C ATOM 161 OG SER A 10 3.207 7.990 10.534 1.00 0.00 O ATOM 0 H SER A 10 2.753 5.332 10.629 1.00 0.00 H new ATOM 0 HA SER A 10 1.646 6.231 8.157 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.728 8.405 9.165 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.283 7.269 10.422 1.00 0.00 H new ATOM 0 HG SER A 10 2.941 8.736 11.111 1.00 0.00 H new ATOM 167 N GLN A 11 4.891 6.600 8.681 1.00 0.00 N ATOM 168 CA GLN A 11 6.178 6.862 8.041 1.00 0.00 C ATOM 169 C GLN A 11 7.168 5.760 8.409 1.00 0.00 C ATOM 170 O GLN A 11 7.588 5.657 9.564 1.00 0.00 O ATOM 171 CB GLN A 11 6.726 8.232 8.449 1.00 0.00 C ATOM 172 CG GLN A 11 6.762 8.462 9.950 1.00 0.00 C ATOM 173 CD GLN A 11 7.085 9.902 10.308 1.00 0.00 C ATOM 174 OE1 GLN A 11 8.088 10.451 9.854 1.00 0.00 O ATOM 175 NE2 GLN A 11 6.239 10.526 11.125 1.00 0.00 N ATOM 0 H GLN A 11 4.965 6.291 9.650 1.00 0.00 H new ATOM 0 HA GLN A 11 6.034 6.869 6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.735 8.341 8.051 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.115 9.008 7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.797 8.191 10.379 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.506 7.804 10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.418 10.036 11.480 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.412 11.494 11.396 1.00 0.00 H new ATOM 184 N GLY A 12 7.513 4.915 7.424 1.00 0.00 N ATOM 185 CA GLY A 12 8.425 3.802 7.664 1.00 0.00 C ATOM 186 C GLY A 12 9.836 4.041 7.155 1.00 0.00 C ATOM 187 O GLY A 12 10.110 3.835 5.971 1.00 0.00 O ATOM 0 H GLY A 12 7.174 4.986 6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.465 3.602 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.024 2.907 7.187 1.00 0.00 H new ATOM 191 N GLU A 13 10.740 4.440 8.058 1.00 0.00 N ATOM 192 CA GLU A 13 12.140 4.670 7.701 1.00 0.00 C ATOM 193 C GLU A 13 12.895 3.341 7.714 1.00 0.00 C ATOM 194 O GLU A 13 12.848 2.612 8.707 1.00 0.00 O ATOM 195 CB GLU A 13 12.790 5.657 8.673 1.00 0.00 C ATOM 196 CG GLU A 13 12.497 7.114 8.356 1.00 0.00 C ATOM 197 CD GLU A 13 12.816 8.035 9.518 1.00 0.00 C ATOM 198 OE1 GLU A 13 14.015 8.280 9.770 1.00 0.00 O ATOM 199 OE2 GLU A 13 11.866 8.511 10.177 1.00 0.00 O ATOM 0 H GLU A 13 10.524 4.610 9.040 1.00 0.00 H new ATOM 0 HA GLU A 13 12.183 5.100 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.444 5.438 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.869 5.503 8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.079 7.417 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.445 7.221 8.090 1.00 0.00 H new ATOM 206 N ILE A 14 13.573 3.026 6.606 1.00 0.00 N ATOM 207 CA ILE A 14 14.319 1.769 6.479 1.00 0.00 C ATOM 208 C ILE A 14 15.647 2.007 5.748 1.00 0.00 C ATOM 209 O ILE A 14 15.830 3.044 5.122 1.00 0.00 O ATOM 210 CB ILE A 14 13.433 0.718 5.724 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.178 0.390 6.567 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.187 -0.571 5.360 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.924 1.108 6.105 1.00 0.00 C ATOM 0 H ILE A 14 13.621 3.625 5.782 1.00 0.00 H new ATOM 0 HA ILE A 14 14.555 1.381 7.470 1.00 0.00 H new ATOM 0 HB ILE A 14 13.140 1.174 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.002 -0.685 6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.372 0.651 7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.513 -1.252 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.029 -0.329 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.554 -1.047 6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.087 0.827 6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.079 2.185 6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.703 0.828 5.075 1.00 0.00 H new ATOM 225 N SER A 15 16.569 1.040 5.836 1.00 0.00 N ATOM 226 CA SER A 15 17.870 1.138 5.170 1.00 0.00 C ATOM 227 C SER A 15 17.888 0.237 3.935 1.00 0.00 C ATOM 228 O SER A 15 17.137 -0.745 3.861 1.00 0.00 O ATOM 229 CB SER A 15 19.009 0.754 6.129 1.00 0.00 C ATOM 230 OG SER A 15 18.540 -0.025 7.218 1.00 0.00 O ATOM 0 H SER A 15 16.435 0.178 6.365 1.00 0.00 H new ATOM 0 HA SER A 15 18.025 2.172 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.770 0.196 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.486 1.658 6.507 1.00 0.00 H new ATOM 0 HG SER A 15 19.291 -0.252 7.805 1.00 0.00 H new ATOM 236 N VAL A 16 18.763 0.560 2.969 1.00 0.00 N ATOM 237 CA VAL A 16 18.878 -0.237 1.738 1.00 0.00 C ATOM 238 C VAL A 16 19.341 -1.655 2.076 1.00 0.00 C ATOM 239 O VAL A 16 20.157 -1.848 2.984 1.00 0.00 O ATOM 240 CB VAL A 16 19.840 0.415 0.705 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.860 -0.352 -0.617 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.449 1.862 0.448 1.00 0.00 C ATOM 0 H VAL A 16 19.395 1.359 3.016 1.00 0.00 H new ATOM 0 HA VAL A 16 17.891 -0.277 1.277 1.00 0.00 H new ATOM 0 HB VAL A 16 20.841 0.380 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.544 0.136 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.192 -1.375 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.858 -0.365 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.134 2.301 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.433 1.900 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.500 2.424 1.381 1.00 0.00 H new ATOM 252 N GLY A 17 18.775 -2.639 1.373 1.00 0.00 N ATOM 253 CA GLY A 17 19.095 -4.031 1.640 1.00 0.00 C ATOM 254 C GLY A 17 18.150 -4.657 2.665 1.00 0.00 C ATOM 255 O GLY A 17 18.147 -5.878 2.834 1.00 0.00 O ATOM 0 H GLY A 17 18.100 -2.493 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.046 -4.598 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.120 -4.103 2.003 1.00 0.00 H new ATOM 259 N GLU A 18 17.337 -3.824 3.348 1.00 0.00 N ATOM 260 CA GLU A 18 16.387 -4.304 4.342 1.00 0.00 C ATOM 261 C GLU A 18 14.992 -4.334 3.739 1.00 0.00 C ATOM 262 O GLU A 18 14.677 -3.523 2.864 1.00 0.00 O ATOM 263 CB GLU A 18 16.377 -3.393 5.576 1.00 0.00 C ATOM 264 CG GLU A 18 17.748 -3.010 6.099 1.00 0.00 C ATOM 265 CD GLU A 18 18.326 -4.046 7.043 1.00 0.00 C ATOM 266 OE1 GLU A 18 17.566 -4.573 7.883 1.00 0.00 O ATOM 267 OE2 GLU A 18 19.538 -4.331 6.943 1.00 0.00 O ATOM 0 H GLU A 18 17.329 -2.812 3.219 1.00 0.00 H new ATOM 0 HA GLU A 18 16.689 -5.306 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.830 -2.482 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.827 -3.892 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.427 -2.872 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.681 -2.052 6.615 1.00 0.00 H new ATOM 274 N SER A 19 14.154 -5.258 4.212 1.00 0.00 N ATOM 275 CA SER A 19 12.785 -5.371 3.715 1.00 0.00 C ATOM 276 C SER A 19 11.846 -4.501 4.554 1.00 0.00 C ATOM 277 O SER A 19 12.221 -4.039 5.633 1.00 0.00 O ATOM 278 CB SER A 19 12.333 -6.834 3.696 1.00 0.00 C ATOM 279 OG SER A 19 12.562 -7.460 4.946 1.00 0.00 O ATOM 0 H SER A 19 14.399 -5.935 4.935 1.00 0.00 H new ATOM 0 HA SER A 19 12.752 -5.008 2.688 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.272 -6.886 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.869 -7.372 2.914 1.00 0.00 H new ATOM 0 HG SER A 19 12.262 -8.392 4.905 1.00 0.00 H new ATOM 285 N LYS A 20 10.641 -4.250 4.035 1.00 0.00 N ATOM 286 CA LYS A 20 9.658 -3.398 4.715 1.00 0.00 C ATOM 287 C LYS A 20 8.266 -3.616 4.150 1.00 0.00 C ATOM 288 O LYS A 20 8.069 -3.529 2.938 1.00 0.00 O ATOM 289 CB LYS A 20 10.016 -1.904 4.559 1.00 0.00 C ATOM 290 CG LYS A 20 10.609 -1.536 3.195 1.00 0.00 C ATOM 291 CD LYS A 20 9.935 -0.312 2.563 1.00 0.00 C ATOM 292 CE LYS A 20 10.924 0.561 1.798 1.00 0.00 C ATOM 293 NZ LYS A 20 10.363 1.077 0.509 1.00 0.00 N ATOM 0 H LYS A 20 10.321 -4.626 3.143 1.00 0.00 H new ATOM 0 HA LYS A 20 9.675 -3.672 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.118 -1.308 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.728 -1.630 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.675 -1.339 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.512 -2.387 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.147 -0.643 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.458 0.281 3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.219 1.403 2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.827 -0.014 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.767 0.540 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.329 0.966 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.603 2.083 0.404 1.00 0.00 H new ATOM 307 N PHE A 21 7.292 -3.854 5.035 1.00 0.00 N ATOM 308 CA PHE A 21 5.906 -4.040 4.612 1.00 0.00 C ATOM 309 C PHE A 21 5.000 -3.000 5.260 1.00 0.00 C ATOM 310 O PHE A 21 5.351 -2.415 6.287 1.00 0.00 O ATOM 311 CB PHE A 21 5.405 -5.454 4.909 1.00 0.00 C ATOM 312 CG PHE A 21 5.594 -5.889 6.328 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.703 -5.492 7.310 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.659 -6.700 6.676 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.873 -5.895 8.619 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.836 -7.107 7.985 1.00 0.00 C ATOM 317 CZ PHE A 21 5.942 -6.704 8.957 1.00 0.00 C ATOM 0 H PHE A 21 7.440 -3.922 6.042 1.00 0.00 H new ATOM 0 HA PHE A 21 5.874 -3.903 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.345 -5.511 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.923 -6.155 4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.866 -4.861 7.049 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.359 -7.018 5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.172 -5.579 9.378 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.672 -7.739 8.247 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.078 -7.021 9.981 1.00 0.00 H new ATOM 327 N PHE A 22 3.840 -2.759 4.639 1.00 0.00 N ATOM 328 CA PHE A 22 2.883 -1.767 5.134 1.00 0.00 C ATOM 329 C PHE A 22 1.467 -2.338 5.148 1.00 0.00 C ATOM 330 O PHE A 22 0.952 -2.770 4.125 1.00 0.00 O ATOM 331 CB PHE A 22 2.977 -0.501 4.280 1.00 0.00 C ATOM 332 CG PHE A 22 4.359 0.084 4.315 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.339 -0.367 3.444 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.692 1.041 5.260 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.629 0.128 3.519 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.974 1.547 5.333 1.00 0.00 C ATOM 337 CZ PHE A 22 6.946 1.089 4.464 1.00 0.00 C ATOM 0 H PHE A 22 3.542 -3.240 3.790 1.00 0.00 H new ATOM 0 HA PHE A 22 3.130 -1.507 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.705 -0.734 3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.259 0.236 4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.093 -1.111 2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.939 1.395 5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.388 -0.235 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.217 2.300 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.951 1.480 4.522 1.00 0.00 H new ATOM 347 N LEU A 23 0.869 -2.369 6.335 1.00 0.00 N ATOM 348 CA LEU A 23 -0.470 -2.938 6.529 1.00 0.00 C ATOM 349 C LEU A 23 -1.593 -1.992 6.087 1.00 0.00 C ATOM 350 O LEU A 23 -1.767 -0.930 6.670 1.00 0.00 O ATOM 351 CB LEU A 23 -0.643 -3.270 8.027 1.00 0.00 C ATOM 352 CG LEU A 23 -1.418 -4.544 8.390 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.639 -4.760 7.504 1.00 0.00 C ATOM 354 CD2 LEU A 23 -0.505 -5.761 8.348 1.00 0.00 C ATOM 0 H LEU A 23 1.292 -2.004 7.188 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.547 -3.830 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.350 -3.343 8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.143 -2.426 8.502 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.784 -4.410 9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.149 -5.675 7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.319 -3.914 7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.323 -4.846 6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.075 -6.653 8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.094 -5.873 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.309 -5.630 9.061 1.00 0.00 H new ATOM 366 N CYS A 24 -2.379 -2.402 5.080 1.00 0.00 N ATOM 367 CA CYS A 24 -3.505 -1.584 4.605 1.00 0.00 C ATOM 368 C CYS A 24 -4.836 -2.115 5.138 1.00 0.00 C ATOM 369 O CYS A 24 -5.425 -3.035 4.558 1.00 0.00 O ATOM 370 CB CYS A 24 -3.555 -1.523 3.078 1.00 0.00 C ATOM 371 SG CYS A 24 -4.582 -0.163 2.443 1.00 0.00 S ATOM 0 H CYS A 24 -2.258 -3.285 4.584 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.344 -0.576 4.987 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.541 -1.413 2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.941 -2.468 2.696 1.00 0.00 H new ATOM 376 N GLN A 25 -5.306 -1.518 6.240 1.00 0.00 N ATOM 377 CA GLN A 25 -6.572 -1.903 6.857 1.00 0.00 C ATOM 378 C GLN A 25 -7.696 -1.021 6.330 1.00 0.00 C ATOM 379 O GLN A 25 -7.437 0.049 5.766 1.00 0.00 O ATOM 380 CB GLN A 25 -6.492 -1.785 8.379 1.00 0.00 C ATOM 381 CG GLN A 25 -5.342 -2.570 8.977 1.00 0.00 C ATOM 382 CD GLN A 25 -4.926 -2.068 10.347 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.735 -1.513 11.090 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.653 -2.263 10.688 1.00 0.00 N ATOM 0 H GLN A 25 -4.821 -0.761 6.722 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.777 -2.942 6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.387 -0.735 8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.428 -2.135 8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.627 -3.619 9.053 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.487 -2.520 8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.017 -2.728 10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.314 -1.947 11.597 1.00 0.00 H new ATOM 393 N VAL A 26 -8.943 -1.472 6.507 1.00 0.00 N ATOM 394 CA VAL A 26 -10.104 -0.723 6.033 1.00 0.00 C ATOM 395 C VAL A 26 -11.246 -0.723 7.055 1.00 0.00 C ATOM 396 O VAL A 26 -11.384 -1.660 7.843 1.00 0.00 O ATOM 397 CB VAL A 26 -10.608 -1.294 4.679 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.509 -1.211 3.623 1.00 0.00 C ATOM 399 CG2 VAL A 26 -11.108 -2.739 4.812 1.00 0.00 C ATOM 0 H VAL A 26 -9.170 -2.350 6.974 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.782 0.309 5.893 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.454 -0.682 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.879 -1.615 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.218 -0.170 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.645 -1.788 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.450 -3.096 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.296 -3.374 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.933 -2.774 5.523 1.00 0.00 H new ATOM 409 N ALA A 27 -12.077 0.324 7.009 1.00 0.00 N ATOM 410 CA ALA A 27 -13.230 0.448 7.899 1.00 0.00 C ATOM 411 C ALA A 27 -14.469 0.819 7.085 1.00 0.00 C ATOM 412 O ALA A 27 -14.349 1.248 5.933 1.00 0.00 O ATOM 413 CB ALA A 27 -12.954 1.472 9.001 1.00 0.00 C ATOM 0 H ALA A 27 -11.968 1.102 6.358 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.413 -0.510 8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.825 1.549 9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.091 1.154 9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.750 2.444 8.552 1.00 0.00 H new ATOM 504 N ASP A 34 -12.528 -2.764 -3.480 1.00 0.00 N ATOM 505 CA ASP A 34 -11.388 -3.350 -4.184 1.00 0.00 C ATOM 506 C ASP A 34 -10.095 -2.598 -3.865 1.00 0.00 C ATOM 507 O ASP A 34 -9.913 -1.468 -4.319 1.00 0.00 O ATOM 508 CB ASP A 34 -11.647 -3.299 -5.695 1.00 0.00 C ATOM 509 CG ASP A 34 -12.569 -4.408 -6.163 1.00 0.00 C ATOM 510 OD1 ASP A 34 -12.141 -5.582 -6.144 1.00 0.00 O ATOM 511 OD2 ASP A 34 -13.717 -4.103 -6.548 1.00 0.00 O ATOM 0 HA ASP A 34 -11.273 -4.383 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.084 -2.334 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.698 -3.372 -6.226 1.00 0.00 H new ATOM 516 N ILE A 35 -9.205 -3.238 -3.091 1.00 0.00 N ATOM 517 CA ILE A 35 -7.920 -2.642 -2.702 1.00 0.00 C ATOM 518 C ILE A 35 -7.002 -2.430 -3.917 1.00 0.00 C ATOM 519 O ILE A 35 -7.075 -3.153 -4.912 1.00 0.00 O ATOM 520 CB ILE A 35 -7.204 -3.528 -1.619 1.00 0.00 C ATOM 521 CG1 ILE A 35 -7.954 -3.428 -0.277 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.709 -3.185 -1.430 1.00 0.00 C ATOM 523 CD1 ILE A 35 -7.783 -2.106 0.455 1.00 0.00 C ATOM 0 H ILE A 35 -9.355 -4.176 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.129 -1.663 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.234 -4.554 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.016 -3.592 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.614 -4.234 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.280 -3.836 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.180 -3.332 -2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.611 -2.146 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.347 -2.131 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.727 -1.945 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.152 -1.293 -0.171 1.00 0.00 H new ATOM 535 N SER A 36 -6.126 -1.431 -3.792 1.00 0.00 N ATOM 536 CA SER A 36 -5.157 -1.084 -4.822 1.00 0.00 C ATOM 537 C SER A 36 -3.886 -0.560 -4.154 1.00 0.00 C ATOM 538 O SER A 36 -3.921 -0.178 -2.986 1.00 0.00 O ATOM 539 CB SER A 36 -5.738 -0.030 -5.767 1.00 0.00 C ATOM 540 OG SER A 36 -6.869 -0.532 -6.457 1.00 0.00 O ATOM 0 H SER A 36 -6.072 -0.838 -2.964 1.00 0.00 H new ATOM 0 HA SER A 36 -4.918 -1.970 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.019 0.857 -5.199 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.978 0.278 -6.485 1.00 0.00 H new ATOM 0 HG SER A 36 -7.223 0.161 -7.053 1.00 0.00 H new ATOM 546 N TRP A 37 -2.769 -0.555 -4.886 1.00 0.00 N ATOM 547 CA TRP A 37 -1.486 -0.087 -4.345 1.00 0.00 C ATOM 548 C TRP A 37 -0.739 0.751 -5.381 1.00 0.00 C ATOM 549 O TRP A 37 -0.251 0.205 -6.365 1.00 0.00 O ATOM 550 CB TRP A 37 -0.628 -1.293 -3.936 1.00 0.00 C ATOM 551 CG TRP A 37 -0.801 -1.711 -2.501 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.429 -2.838 -2.060 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.347 -1.022 -1.322 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.407 -2.893 -0.690 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.747 -1.794 -0.211 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.354 0.167 -1.094 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.470 -1.416 1.099 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.626 0.542 0.215 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.216 -0.249 1.294 1.00 0.00 C ATOM 0 H TRP A 37 -2.725 -0.869 -5.855 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.681 0.535 -3.471 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.874 -2.136 -4.581 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.421 -1.055 -4.110 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.880 -3.582 -2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.816 -3.633 -0.120 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.678 0.782 -1.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.786 -2.024 1.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.163 1.460 0.404 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.446 0.068 2.300 1.00 0.00 H new ATOM 570 N PHE A 38 -0.645 2.071 -5.150 1.00 0.00 N ATOM 571 CA PHE A 38 0.052 2.975 -6.084 1.00 0.00 C ATOM 572 C PHE A 38 1.344 3.519 -5.499 1.00 0.00 C ATOM 573 O PHE A 38 1.312 4.351 -4.593 1.00 0.00 O ATOM 574 CB PHE A 38 -0.822 4.170 -6.460 1.00 0.00 C ATOM 575 CG PHE A 38 -2.124 3.795 -7.089 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.196 3.391 -6.316 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.264 3.837 -8.459 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.393 3.031 -6.905 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.455 3.484 -9.060 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.524 3.077 -8.281 1.00 0.00 C ATOM 0 H PHE A 38 -1.039 2.535 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 38 0.274 2.373 -6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.019 4.759 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.269 4.810 -7.147 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.097 3.356 -5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.431 4.150 -9.071 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.224 2.714 -6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.553 3.525 -10.135 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.457 2.796 -8.746 1.00 0.00 H new ATOM 590 N SER A 39 2.481 3.087 -6.053 1.00 0.00 N ATOM 591 CA SER A 39 3.792 3.568 -5.602 1.00 0.00 C ATOM 592 C SER A 39 3.895 5.095 -5.783 1.00 0.00 C ATOM 593 O SER A 39 3.208 5.652 -6.656 1.00 0.00 O ATOM 594 CB SER A 39 4.925 2.864 -6.354 1.00 0.00 C ATOM 595 OG SER A 39 4.553 2.582 -7.691 1.00 0.00 O ATOM 0 H SER A 39 2.521 2.407 -6.812 1.00 0.00 H new ATOM 0 HA SER A 39 3.892 3.333 -4.542 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.816 3.492 -6.346 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.184 1.937 -5.842 1.00 0.00 H new ATOM 0 HG SER A 39 5.294 2.134 -8.149 1.00 0.00 H new ATOM 601 N PRO A 40 4.757 5.787 -4.965 1.00 0.00 N ATOM 602 CA PRO A 40 4.967 7.257 -4.994 1.00 0.00 C ATOM 603 C PRO A 40 4.856 7.868 -6.396 1.00 0.00 C ATOM 604 O PRO A 40 3.840 8.485 -6.724 1.00 0.00 O ATOM 605 CB PRO A 40 6.385 7.420 -4.389 1.00 0.00 C ATOM 606 CG PRO A 40 6.858 6.029 -4.080 1.00 0.00 C ATOM 607 CD PRO A 40 5.624 5.196 -3.941 1.00 0.00 C ATOM 0 HA PRO A 40 4.196 7.792 -4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.056 7.914 -5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.358 8.033 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.498 5.649 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.446 6.012 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.819 4.140 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.190 5.269 -2.944 1.00 0.00 H new ATOM 651 N LYS A 44 -0.099 2.329 -9.885 1.00 0.00 N ATOM 652 CA LYS A 44 -0.398 0.942 -9.495 1.00 0.00 C ATOM 653 C LYS A 44 0.707 -0.037 -9.906 1.00 0.00 C ATOM 654 O LYS A 44 0.976 -0.229 -11.093 1.00 0.00 O ATOM 655 CB LYS A 44 -1.745 0.476 -10.030 1.00 0.00 C ATOM 656 CG LYS A 44 -2.382 -0.588 -9.147 1.00 0.00 C ATOM 657 CD LYS A 44 -3.850 -0.786 -9.481 1.00 0.00 C ATOM 658 CE LYS A 44 -4.511 -1.758 -8.517 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.976 -3.140 -8.668 1.00 0.00 N ATOM 0 HA LYS A 44 -0.447 0.945 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.417 1.330 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.616 0.079 -11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.850 -1.531 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.282 -0.301 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.366 0.173 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.946 -1.160 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.354 -1.418 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.587 -1.765 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.521 -3.791 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.056 -3.437 -9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.977 -3.159 -8.381 1.00 0.00 H new ATOM 673 N LEU A 45 1.348 -0.638 -8.896 1.00 0.00 N ATOM 674 CA LEU A 45 2.439 -1.590 -9.116 1.00 0.00 C ATOM 675 C LEU A 45 1.916 -3.026 -9.152 1.00 0.00 C ATOM 676 O LEU A 45 0.871 -3.331 -8.574 1.00 0.00 O ATOM 677 CB LEU A 45 3.534 -1.444 -8.037 1.00 0.00 C ATOM 678 CG LEU A 45 3.051 -1.227 -6.590 1.00 0.00 C ATOM 679 CD1 LEU A 45 2.215 -2.408 -6.117 1.00 0.00 C ATOM 680 CD2 LEU A 45 4.232 -0.992 -5.649 1.00 0.00 C ATOM 0 H LEU A 45 1.127 -0.479 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 45 2.883 -1.361 -10.085 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.155 -2.339 -8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.174 -0.606 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 45 2.424 -0.336 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.885 -2.233 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.345 -2.521 -6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.815 -3.317 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.864 -0.842 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.893 -1.859 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.783 -0.108 -5.970 1.00 0.00 H new ATOM 692 N SER A 46 2.648 -3.898 -9.851 1.00 0.00 N ATOM 693 CA SER A 46 2.263 -5.305 -9.984 1.00 0.00 C ATOM 694 C SER A 46 2.611 -6.101 -8.719 1.00 0.00 C ATOM 695 O SER A 46 3.383 -5.625 -7.884 1.00 0.00 O ATOM 696 CB SER A 46 2.954 -5.932 -11.195 1.00 0.00 C ATOM 697 OG SER A 46 3.066 -4.998 -12.256 1.00 0.00 O ATOM 0 H SER A 46 3.512 -3.653 -10.334 1.00 0.00 H new ATOM 0 HA SER A 46 1.183 -5.341 -10.125 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.945 -6.285 -10.910 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.390 -6.802 -11.530 1.00 0.00 H new ATOM 0 HG SER A 46 3.513 -5.421 -13.019 1.00 0.00 H new ATOM 703 N PRO A 47 2.039 -7.325 -8.547 1.00 0.00 N ATOM 704 CA PRO A 47 2.292 -8.161 -7.372 1.00 0.00 C ATOM 705 C PRO A 47 3.577 -8.994 -7.481 1.00 0.00 C ATOM 706 O PRO A 47 4.156 -9.371 -6.460 1.00 0.00 O ATOM 707 CB PRO A 47 1.046 -9.076 -7.300 1.00 0.00 C ATOM 708 CG PRO A 47 0.217 -8.761 -8.509 1.00 0.00 C ATOM 709 CD PRO A 47 1.093 -7.992 -9.456 1.00 0.00 C ATOM 0 HA PRO A 47 2.444 -7.554 -6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.336 -10.127 -7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.483 -8.893 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.146 -9.676 -8.977 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.660 -8.175 -8.233 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.603 -8.649 -10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.522 -7.274 -10.045 1.00 0.00 H new ATOM 717 N ASN A 48 4.013 -9.291 -8.715 1.00 0.00 N ATOM 718 CA ASN A 48 5.225 -10.095 -8.939 1.00 0.00 C ATOM 719 C ASN A 48 6.201 -9.433 -9.926 1.00 0.00 C ATOM 720 O ASN A 48 7.029 -10.120 -10.535 1.00 0.00 O ATOM 721 CB ASN A 48 4.832 -11.486 -9.452 1.00 0.00 C ATOM 722 CG ASN A 48 4.008 -11.432 -10.729 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.470 -10.932 -11.756 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.780 -11.947 -10.677 1.00 0.00 N ATOM 0 H ASN A 48 3.547 -8.988 -9.570 1.00 0.00 H new ATOM 0 HA ASN A 48 5.742 -10.176 -7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.734 -12.070 -9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.264 -12.006 -8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.187 -11.936 -11.507 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.433 -12.352 -9.808 1.00 0.00 H new ATOM 731 N GLN A 49 6.104 -8.108 -10.088 1.00 0.00 N ATOM 732 CA GLN A 49 6.986 -7.383 -11.011 1.00 0.00 C ATOM 733 C GLN A 49 8.441 -7.382 -10.534 1.00 0.00 C ATOM 734 O GLN A 49 9.330 -7.840 -11.255 1.00 0.00 O ATOM 735 CB GLN A 49 6.515 -5.935 -11.243 1.00 0.00 C ATOM 736 CG GLN A 49 6.090 -5.169 -9.985 1.00 0.00 C ATOM 737 CD GLN A 49 7.040 -4.037 -9.620 1.00 0.00 C ATOM 738 OE1 GLN A 49 7.585 -3.366 -10.498 1.00 0.00 O ATOM 739 NE2 GLN A 49 7.241 -3.818 -8.323 1.00 0.00 N ATOM 0 H GLN A 49 5.430 -7.520 -9.597 1.00 0.00 H new ATOM 0 HA GLN A 49 6.934 -7.919 -11.958 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.320 -5.383 -11.729 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.675 -5.952 -11.938 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.091 -4.761 -10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.026 -5.865 -9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.769 -4.398 -7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.867 -3.070 -8.023 1.00 0.00 H new ATOM 748 N GLN A 50 8.683 -6.843 -9.335 1.00 0.00 N ATOM 749 CA GLN A 50 10.038 -6.752 -8.776 1.00 0.00 C ATOM 750 C GLN A 50 10.033 -7.125 -7.277 1.00 0.00 C ATOM 751 O GLN A 50 9.105 -7.782 -6.805 1.00 0.00 O ATOM 752 CB GLN A 50 10.596 -5.325 -8.990 1.00 0.00 C ATOM 753 CG GLN A 50 10.366 -4.745 -10.382 1.00 0.00 C ATOM 754 CD GLN A 50 11.362 -5.263 -11.404 1.00 0.00 C ATOM 755 OE1 GLN A 50 11.801 -6.412 -11.329 1.00 0.00 O ATOM 756 NE2 GLN A 50 11.728 -4.421 -12.368 1.00 0.00 N ATOM 0 H GLN A 50 7.956 -6.461 -8.730 1.00 0.00 H new ATOM 0 HA GLN A 50 10.685 -7.461 -9.293 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.142 -4.660 -8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.667 -5.336 -8.790 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.355 -4.988 -10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.433 -3.658 -10.334 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.341 -3.478 -12.395 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.395 -4.719 -13.080 1.00 0.00 H new ATOM 765 N ARG A 51 11.074 -6.702 -6.532 1.00 0.00 N ATOM 766 CA ARG A 51 11.199 -6.984 -5.087 1.00 0.00 C ATOM 767 C ARG A 51 9.943 -6.607 -4.285 1.00 0.00 C ATOM 768 O ARG A 51 9.723 -7.140 -3.189 1.00 0.00 O ATOM 769 CB ARG A 51 12.409 -6.240 -4.523 1.00 0.00 C ATOM 770 CG ARG A 51 13.717 -6.633 -5.205 1.00 0.00 C ATOM 771 CD ARG A 51 14.655 -5.448 -5.378 1.00 0.00 C ATOM 772 NE ARG A 51 14.399 -4.720 -6.624 1.00 0.00 N ATOM 773 CZ ARG A 51 14.846 -5.089 -7.831 1.00 0.00 C ATOM 774 NH1 ARG A 51 15.580 -6.191 -7.996 1.00 0.00 N ATOM 775 NH2 ARG A 51 14.552 -4.346 -8.889 1.00 0.00 N ATOM 0 H ARG A 51 11.848 -6.158 -6.912 1.00 0.00 H new ATOM 0 HA ARG A 51 11.327 -8.062 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.254 -5.167 -4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.487 -6.441 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.214 -7.404 -4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.500 -7.067 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.541 -4.770 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.687 -5.799 -5.369 1.00 0.00 H new ATOM 0 HE ARG A 51 13.839 -3.869 -6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.813 -6.774 -7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.908 -6.450 -8.926 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.990 -3.502 -8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.888 -4.619 -9.813 1.00 0.00 H new ATOM 789 N ILE A 52 9.132 -5.689 -4.827 1.00 0.00 N ATOM 790 CA ILE A 52 7.905 -5.258 -4.163 1.00 0.00 C ATOM 791 C ILE A 52 6.765 -6.233 -4.497 1.00 0.00 C ATOM 792 O ILE A 52 6.247 -6.235 -5.615 1.00 0.00 O ATOM 793 CB ILE A 52 7.516 -3.808 -4.564 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.709 -2.861 -4.337 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.291 -3.336 -3.778 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.461 -1.424 -4.758 1.00 0.00 C ATOM 0 H ILE A 52 9.307 -5.234 -5.723 1.00 0.00 H new ATOM 0 HA ILE A 52 8.081 -5.262 -3.087 1.00 0.00 H new ATOM 0 HB ILE A 52 7.257 -3.797 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.972 -2.876 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.570 -3.244 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.038 -2.319 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.449 -3.996 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.513 -3.357 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.353 -0.829 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.229 -1.392 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.623 -1.018 -4.192 1.00 0.00 H new ATOM 808 N SER A 53 6.397 -7.070 -3.519 1.00 0.00 N ATOM 809 CA SER A 53 5.339 -8.070 -3.688 1.00 0.00 C ATOM 810 C SER A 53 4.112 -7.730 -2.842 1.00 0.00 C ATOM 811 O SER A 53 4.183 -7.730 -1.616 1.00 0.00 O ATOM 812 CB SER A 53 5.876 -9.447 -3.287 1.00 0.00 C ATOM 813 OG SER A 53 5.095 -10.487 -3.850 1.00 0.00 O ATOM 0 H SER A 53 6.823 -7.072 -2.592 1.00 0.00 H new ATOM 0 HA SER A 53 5.035 -8.076 -4.735 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.910 -9.547 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.877 -9.537 -2.201 1.00 0.00 H new ATOM 0 HG SER A 53 4.743 -10.199 -4.718 1.00 0.00 H new ATOM 819 N VAL A 54 2.987 -7.444 -3.506 1.00 0.00 N ATOM 820 CA VAL A 54 1.736 -7.103 -2.817 1.00 0.00 C ATOM 821 C VAL A 54 0.962 -8.375 -2.451 1.00 0.00 C ATOM 822 O VAL A 54 1.068 -9.387 -3.147 1.00 0.00 O ATOM 823 CB VAL A 54 0.842 -6.188 -3.702 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.384 -5.693 -2.942 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.636 -5.002 -4.242 1.00 0.00 C ATOM 0 H VAL A 54 2.916 -7.442 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 54 1.995 -6.563 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 54 0.499 -6.793 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.984 -5.057 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.980 -6.546 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.065 -5.122 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.987 -4.379 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.022 -4.413 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.468 -5.365 -4.845 1.00 0.00 H new ATOM 835 N VAL A 55 0.177 -8.317 -1.362 1.00 0.00 N ATOM 836 CA VAL A 55 -0.617 -9.467 -0.924 1.00 0.00 C ATOM 837 C VAL A 55 -1.969 -9.026 -0.360 1.00 0.00 C ATOM 838 O VAL A 55 -2.052 -8.051 0.381 1.00 0.00 O ATOM 839 CB VAL A 55 0.148 -10.321 0.130 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.438 -9.529 1.401 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.613 -11.604 0.465 1.00 0.00 C ATOM 0 H VAL A 55 0.078 -7.489 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.793 -10.086 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 55 1.103 -10.594 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.973 -10.161 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.049 -8.660 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.501 -9.199 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.052 -12.177 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.593 -11.351 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.737 -12.200 -0.439 1.00 0.00 H new ATOM 851 N TRP A 56 -3.015 -9.779 -0.699 1.00 0.00 N ATOM 852 CA TRP A 56 -4.363 -9.509 -0.212 1.00 0.00 C ATOM 853 C TRP A 56 -4.739 -10.596 0.782 1.00 0.00 C ATOM 854 O TRP A 56 -4.947 -11.749 0.399 1.00 0.00 O ATOM 855 CB TRP A 56 -5.337 -9.462 -1.381 1.00 0.00 C ATOM 856 CG TRP A 56 -5.074 -8.300 -2.285 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.730 -7.106 -2.289 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.064 -8.211 -3.296 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.209 -6.284 -3.256 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.182 -6.939 -3.890 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.076 -9.085 -3.762 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.350 -6.522 -4.927 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.251 -8.669 -4.790 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.392 -7.397 -5.362 1.00 0.00 C ATOM 0 H TRP A 56 -2.950 -10.589 -1.316 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.404 -8.541 0.287 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.264 -10.388 -1.951 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.357 -9.402 -1.001 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.542 -6.844 -1.627 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.532 -5.340 -3.469 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -2.960 -10.067 -3.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.457 -5.544 -5.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.485 -9.335 -5.159 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.731 -7.101 -6.163 1.00 0.00 H new ATOM 875 N ASN A 57 -4.773 -10.234 2.068 1.00 0.00 N ATOM 876 CA ASN A 57 -5.061 -11.197 3.131 1.00 0.00 C ATOM 877 C ASN A 57 -6.552 -11.252 3.476 1.00 0.00 C ATOM 878 O ASN A 57 -7.245 -12.183 3.057 1.00 0.00 O ATOM 879 CB ASN A 57 -4.211 -10.861 4.362 1.00 0.00 C ATOM 880 CG ASN A 57 -2.722 -10.994 4.088 1.00 0.00 C ATOM 881 OD1 ASN A 57 -2.229 -12.086 3.805 1.00 0.00 O ATOM 882 ND2 ASN A 57 -1.994 -9.881 4.170 1.00 0.00 N ATOM 0 H ASN A 57 -4.605 -9.283 2.396 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.798 -12.193 2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.429 -9.843 4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.488 -11.522 5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.990 -9.915 3.995 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.441 -8.995 4.407 1.00 0.00 H new ATOM 889 N ASP A 58 -7.044 -10.267 4.237 1.00 0.00 N ATOM 890 CA ASP A 58 -8.455 -10.233 4.623 1.00 0.00 C ATOM 891 C ASP A 58 -9.327 -9.866 3.427 1.00 0.00 C ATOM 892 O ASP A 58 -8.821 -9.678 2.319 1.00 0.00 O ATOM 893 CB ASP A 58 -8.683 -9.246 5.770 1.00 0.00 C ATOM 894 CG ASP A 58 -7.970 -9.661 7.040 1.00 0.00 C ATOM 895 OD1 ASP A 58 -8.357 -10.696 7.626 1.00 0.00 O ATOM 896 OD2 ASP A 58 -7.026 -8.956 7.451 1.00 0.00 O ATOM 0 H ASP A 58 -6.489 -9.489 4.594 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.736 -11.228 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.337 -8.257 5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.752 -9.163 5.967 1.00 0.00 H new ATOM 901 N ASP A 59 -10.643 -9.772 3.654 1.00 0.00 N ATOM 902 CA ASP A 59 -11.601 -9.437 2.591 1.00 0.00 C ATOM 903 C ASP A 59 -11.264 -8.101 1.915 1.00 0.00 C ATOM 904 O ASP A 59 -11.465 -7.945 0.708 1.00 0.00 O ATOM 905 CB ASP A 59 -13.030 -9.394 3.162 1.00 0.00 C ATOM 906 CG ASP A 59 -14.041 -10.077 2.260 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.039 -11.325 2.205 1.00 0.00 O ATOM 908 OD2 ASP A 59 -14.831 -9.364 1.607 1.00 0.00 O ATOM 0 H ASP A 59 -11.071 -9.924 4.567 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.535 -10.216 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.040 -9.873 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.326 -8.356 3.312 1.00 0.00 H new ATOM 913 N ASP A 60 -10.765 -7.143 2.705 1.00 0.00 N ATOM 914 CA ASP A 60 -10.411 -5.816 2.188 1.00 0.00 C ATOM 915 C ASP A 60 -9.046 -5.311 2.693 1.00 0.00 C ATOM 916 O ASP A 60 -8.675 -4.170 2.410 1.00 0.00 O ATOM 917 CB ASP A 60 -11.504 -4.820 2.563 1.00 0.00 C ATOM 918 CG ASP A 60 -12.768 -5.018 1.750 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.659 -5.208 0.521 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.866 -4.987 2.343 1.00 0.00 O ATOM 0 H ASP A 60 -10.597 -7.262 3.704 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.327 -5.905 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.737 -4.922 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.134 -3.805 2.414 1.00 0.00 H new ATOM 925 N SER A 61 -8.294 -6.151 3.427 1.00 0.00 N ATOM 926 CA SER A 61 -6.973 -5.765 3.943 1.00 0.00 C ATOM 927 C SER A 61 -5.864 -6.353 3.061 1.00 0.00 C ATOM 928 O SER A 61 -5.942 -7.516 2.641 1.00 0.00 O ATOM 929 CB SER A 61 -6.811 -6.205 5.410 1.00 0.00 C ATOM 930 OG SER A 61 -6.184 -7.477 5.531 1.00 0.00 O ATOM 0 H SER A 61 -8.580 -7.098 3.674 1.00 0.00 H new ATOM 0 HA SER A 61 -6.891 -4.679 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.222 -5.461 5.946 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.791 -6.240 5.886 1.00 0.00 H new ATOM 0 HG SER A 61 -6.322 -7.825 6.437 1.00 0.00 H new ATOM 936 N SER A 62 -4.842 -5.543 2.775 1.00 0.00 N ATOM 937 CA SER A 62 -3.731 -5.979 1.927 1.00 0.00 C ATOM 938 C SER A 62 -2.439 -5.284 2.340 1.00 0.00 C ATOM 939 O SER A 62 -2.439 -4.084 2.607 1.00 0.00 O ATOM 940 CB SER A 62 -4.053 -5.688 0.455 1.00 0.00 C ATOM 941 OG SER A 62 -5.441 -5.809 0.201 1.00 0.00 O ATOM 0 H SER A 62 -4.761 -4.585 3.117 1.00 0.00 H new ATOM 0 HA SER A 62 -3.593 -7.053 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.720 -4.682 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.502 -6.378 -0.184 1.00 0.00 H new ATOM 0 HG SER A 62 -5.603 -5.758 -0.764 1.00 0.00 H new ATOM 947 N THR A 63 -1.336 -6.039 2.400 1.00 0.00 N ATOM 948 CA THR A 63 -0.043 -5.483 2.798 1.00 0.00 C ATOM 949 C THR A 63 0.921 -5.388 1.617 1.00 0.00 C ATOM 950 O THR A 63 1.013 -6.307 0.801 1.00 0.00 O ATOM 951 CB THR A 63 0.591 -6.339 3.893 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.355 -6.642 4.903 1.00 0.00 O ATOM 953 CG2 THR A 63 1.779 -5.666 4.554 1.00 0.00 C ATOM 0 H THR A 63 -1.315 -7.034 2.178 1.00 0.00 H new ATOM 0 HA THR A 63 -0.229 -4.477 3.174 1.00 0.00 H new ATOM 0 HB THR A 63 0.935 -7.246 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.069 -7.192 5.594 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.187 -6.322 5.323 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.545 -5.463 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.459 -4.728 5.009 1.00 0.00 H new ATOM 961 N LEU A 64 1.662 -4.281 1.562 1.00 0.00 N ATOM 962 CA LEU A 64 2.656 -4.057 0.527 1.00 0.00 C ATOM 963 C LEU A 64 4.007 -4.498 1.048 1.00 0.00 C ATOM 964 O LEU A 64 4.538 -3.853 1.934 1.00 0.00 O ATOM 965 CB LEU A 64 2.732 -2.564 0.169 1.00 0.00 C ATOM 966 CG LEU A 64 3.885 -2.167 -0.772 1.00 0.00 C ATOM 967 CD1 LEU A 64 3.632 -2.658 -2.183 1.00 0.00 C ATOM 968 CD2 LEU A 64 4.139 -0.669 -0.724 1.00 0.00 C ATOM 0 H LEU A 64 1.586 -3.519 2.236 1.00 0.00 H new ATOM 0 HA LEU A 64 2.378 -4.624 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.790 -2.271 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.825 -1.991 1.092 1.00 0.00 H new ATOM 0 HG LEU A 64 4.793 -2.657 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.462 -2.363 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.544 -3.744 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.708 -2.220 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.958 -0.417 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.239 -0.137 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.403 -0.377 0.293 1.00 0.00 H new ATOM 980 N THR A 65 4.583 -5.544 0.470 1.00 0.00 N ATOM 981 CA THR A 65 5.911 -5.997 0.890 1.00 0.00 C ATOM 982 C THR A 65 6.956 -5.442 -0.074 1.00 0.00 C ATOM 983 O THR A 65 6.712 -5.354 -1.272 1.00 0.00 O ATOM 984 CB THR A 65 5.983 -7.541 1.004 1.00 0.00 C ATOM 985 OG1 THR A 65 4.708 -8.134 0.822 1.00 0.00 O ATOM 986 CG2 THR A 65 6.496 -8.009 2.353 1.00 0.00 C ATOM 0 H THR A 65 4.162 -6.091 -0.281 1.00 0.00 H new ATOM 0 HA THR A 65 6.119 -5.615 1.889 1.00 0.00 H new ATOM 0 HB THR A 65 6.676 -7.848 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.587 -8.367 -0.122 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.524 -9.098 2.373 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.500 -7.617 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.833 -7.649 3.139 1.00 0.00 H new ATOM 994 N ILE A 66 8.107 -5.044 0.467 1.00 0.00 N ATOM 995 CA ILE A 66 9.199 -4.475 -0.324 1.00 0.00 C ATOM 996 C ILE A 66 10.517 -5.060 0.177 1.00 0.00 C ATOM 997 O ILE A 66 11.121 -4.524 1.103 1.00 0.00 O ATOM 998 CB ILE A 66 9.231 -2.921 -0.222 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.868 -2.329 -0.620 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.354 -2.321 -1.080 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.752 -0.851 -0.328 1.00 0.00 C ATOM 0 H ILE A 66 8.309 -5.107 1.465 1.00 0.00 H new ATOM 0 HA ILE A 66 9.044 -4.728 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 66 9.437 -2.660 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.704 -2.496 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.079 -2.861 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.345 -1.235 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.316 -2.707 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.200 -2.594 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.767 -0.496 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.885 -0.680 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.520 -0.310 -0.881 1.00 0.00 H new ATOM 1013 N TYR A 67 10.937 -6.178 -0.425 1.00 0.00 N ATOM 1014 CA TYR A 67 12.172 -6.864 -0.013 1.00 0.00 C ATOM 1015 C TYR A 67 13.414 -5.945 -0.160 1.00 0.00 C ATOM 1016 O TYR A 67 13.535 -4.981 0.594 1.00 0.00 O ATOM 1017 CB TYR A 67 12.289 -8.213 -0.769 1.00 0.00 C ATOM 1018 CG TYR A 67 11.013 -9.047 -0.746 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.262 -9.187 0.420 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.551 -9.679 -1.898 1.00 0.00 C ATOM 1021 CE1 TYR A 67 9.097 -9.929 0.436 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.386 -10.425 -1.886 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.664 -10.547 -0.718 1.00 0.00 C ATOM 1024 OH TYR A 67 7.502 -11.285 -0.705 1.00 0.00 O ATOM 0 H TYR A 67 10.444 -6.628 -1.196 1.00 0.00 H new ATOM 0 HA TYR A 67 12.127 -7.097 1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.563 -8.015 -1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.100 -8.795 -0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.597 -8.707 1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.112 -9.585 -2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.528 -10.025 1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.043 -10.910 -2.788 1.00 0.00 H new ATOM 0 HH TYR A 67 7.338 -11.653 -1.598 1.00 0.00 H new ATOM 1034 N ASN A 68 14.336 -6.213 -1.102 1.00 0.00 N ATOM 1035 CA ASN A 68 15.532 -5.368 -1.281 1.00 0.00 C ATOM 1036 C ASN A 68 15.140 -3.899 -1.528 1.00 0.00 C ATOM 1037 O ASN A 68 14.870 -3.504 -2.664 1.00 0.00 O ATOM 1038 CB ASN A 68 16.391 -5.899 -2.441 1.00 0.00 C ATOM 1039 CG ASN A 68 17.883 -5.796 -2.165 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.619 -6.769 -2.328 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.340 -4.617 -1.747 1.00 0.00 N ATOM 0 H ASN A 68 14.278 -7.001 -1.747 1.00 0.00 H new ATOM 0 HA ASN A 68 16.118 -5.409 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.132 -6.941 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 68 16.154 -5.341 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.333 -4.496 -1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.697 -3.835 -1.624 1.00 0.00 H new ATOM 1048 N ALA A 69 15.096 -3.109 -0.449 1.00 0.00 N ATOM 1049 CA ALA A 69 14.718 -1.696 -0.532 1.00 0.00 C ATOM 1050 C ALA A 69 15.795 -0.864 -1.223 1.00 0.00 C ATOM 1051 O ALA A 69 16.984 -1.164 -1.116 1.00 0.00 O ATOM 1052 CB ALA A 69 14.427 -1.141 0.859 1.00 0.00 C ATOM 0 H ALA A 69 15.319 -3.427 0.494 1.00 0.00 H new ATOM 0 HA ALA A 69 13.813 -1.631 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.148 -0.090 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.608 -1.701 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.317 -1.234 1.481 1.00 0.00 H new ATOM 1058 N ASN A 70 15.364 0.190 -1.932 1.00 0.00 N ATOM 1059 CA ASN A 70 16.282 1.077 -2.646 1.00 0.00 C ATOM 1060 C ASN A 70 15.831 2.535 -2.533 1.00 0.00 C ATOM 1061 O ASN A 70 14.641 2.828 -2.374 1.00 0.00 O ATOM 1062 CB ASN A 70 16.369 0.681 -4.123 1.00 0.00 C ATOM 1063 CG ASN A 70 16.771 -0.771 -4.319 1.00 0.00 C ATOM 1064 OD1 ASN A 70 17.955 -1.086 -4.430 1.00 0.00 O ATOM 1065 ND2 ASN A 70 15.785 -1.666 -4.363 1.00 0.00 N ATOM 0 H ASN A 70 14.381 0.446 -2.024 1.00 0.00 H new ATOM 0 HA ASN A 70 17.266 0.977 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.403 0.854 -4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.091 1.325 -4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 70 15.999 -2.655 -4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.816 -1.362 -4.267 1.00 0.00 H new ATOM 1072 N ILE A 71 16.792 3.462 -2.637 1.00 0.00 N ATOM 1073 CA ILE A 71 16.492 4.898 -2.558 1.00 0.00 C ATOM 1074 C ILE A 71 15.411 5.325 -3.571 1.00 0.00 C ATOM 1075 O ILE A 71 14.719 6.324 -3.356 1.00 0.00 O ATOM 1076 CB ILE A 71 17.761 5.753 -2.768 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.457 5.384 -4.086 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.706 5.578 -1.585 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.664 6.243 -4.407 1.00 0.00 C ATOM 0 H ILE A 71 17.779 3.245 -2.775 1.00 0.00 H new ATOM 0 HA ILE A 71 16.107 5.072 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 71 17.471 6.802 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.768 4.340 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.738 5.467 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.599 6.184 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.206 5.896 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.990 4.529 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.099 5.920 -5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.358 7.286 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.404 6.142 -3.613 1.00 0.00 H new ATOM 1091 N ASP A 72 15.258 4.551 -4.658 1.00 0.00 N ATOM 1092 CA ASP A 72 14.249 4.838 -5.674 1.00 0.00 C ATOM 1093 C ASP A 72 12.852 4.531 -5.136 1.00 0.00 C ATOM 1094 O ASP A 72 11.914 5.298 -5.365 1.00 0.00 O ATOM 1095 CB ASP A 72 14.516 4.024 -6.944 1.00 0.00 C ATOM 1096 CG ASP A 72 15.829 4.399 -7.605 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.828 4.588 -6.878 1.00 0.00 O ATOM 1098 OD2 ASP A 72 15.858 4.506 -8.849 1.00 0.00 O ATOM 0 H ASP A 72 15.823 3.724 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 72 14.305 5.898 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.527 2.963 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.700 4.178 -7.650 1.00 0.00 H new ATOM 1103 N ASP A 73 12.722 3.412 -4.406 1.00 0.00 N ATOM 1104 CA ASP A 73 11.443 3.012 -3.821 1.00 0.00 C ATOM 1105 C ASP A 73 11.012 3.999 -2.740 1.00 0.00 C ATOM 1106 O ASP A 73 9.818 4.263 -2.581 1.00 0.00 O ATOM 1107 CB ASP A 73 11.531 1.597 -3.231 1.00 0.00 C ATOM 1108 CG ASP A 73 11.452 0.509 -4.288 1.00 0.00 C ATOM 1109 OD1 ASP A 73 10.844 0.750 -5.354 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.996 -0.589 -4.047 1.00 0.00 O ATOM 0 H ASP A 73 13.491 2.771 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 73 10.697 3.013 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.467 1.496 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.723 1.458 -2.513 1.00 0.00 H new ATOM 1115 N ALA A 74 11.989 4.550 -1.996 1.00 0.00 N ATOM 1116 CA ALA A 74 11.700 5.521 -0.924 1.00 0.00 C ATOM 1117 C ALA A 74 10.773 6.654 -1.378 1.00 0.00 C ATOM 1118 O ALA A 74 11.218 7.622 -2.001 1.00 0.00 O ATOM 1119 CB ALA A 74 12.985 6.113 -0.375 1.00 0.00 C ATOM 0 H ALA A 74 12.980 4.341 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 74 11.183 4.964 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.749 6.827 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.608 5.316 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.522 6.622 -1.175 1.00 0.00 H new ATOM 1125 N GLY A 75 9.492 6.522 -1.040 1.00 0.00 N ATOM 1126 CA GLY A 75 8.508 7.530 -1.388 1.00 0.00 C ATOM 1127 C GLY A 75 7.160 7.229 -0.766 1.00 0.00 C ATOM 1128 O GLY A 75 7.001 6.196 -0.109 1.00 0.00 O ATOM 0 H GLY A 75 9.117 5.725 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.854 8.508 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.406 7.581 -2.472 1.00 0.00 H new ATOM 1132 N ILE A 76 6.197 8.128 -0.953 1.00 0.00 N ATOM 1133 CA ILE A 76 4.867 7.948 -0.383 1.00 0.00 C ATOM 1134 C ILE A 76 4.014 6.992 -1.225 1.00 0.00 C ATOM 1135 O ILE A 76 3.442 7.396 -2.239 1.00 0.00 O ATOM 1136 CB ILE A 76 4.142 9.314 -0.214 1.00 0.00 C ATOM 1137 CG1 ILE A 76 5.020 10.263 0.622 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.770 9.130 0.438 1.00 0.00 C ATOM 1139 CD1 ILE A 76 4.431 11.642 0.842 1.00 0.00 C ATOM 0 H ILE A 76 6.313 8.985 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 76 4.998 7.500 0.602 1.00 0.00 H new ATOM 0 HB ILE A 76 3.982 9.751 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.206 9.803 1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.987 10.370 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.285 10.100 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.154 8.483 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.892 8.676 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.118 12.240 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.271 12.127 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.479 11.552 1.365 1.00 0.00 H new ATOM 1151 N TYR A 77 3.900 5.733 -0.769 1.00 0.00 N ATOM 1152 CA TYR A 77 3.078 4.736 -1.459 1.00 0.00 C ATOM 1153 C TYR A 77 1.601 5.082 -1.259 1.00 0.00 C ATOM 1154 O TYR A 77 1.276 6.004 -0.500 1.00 0.00 O ATOM 1155 CB TYR A 77 3.386 3.319 -0.954 1.00 0.00 C ATOM 1156 CG TYR A 77 4.720 2.779 -1.420 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.887 3.183 -0.796 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.815 1.859 -2.462 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.120 2.694 -1.188 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.042 1.363 -2.859 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.191 1.783 -2.220 1.00 0.00 C ATOM 1162 OH TYR A 77 8.413 1.289 -2.615 1.00 0.00 O ATOM 0 H TYR A 77 4.366 5.387 0.070 1.00 0.00 H new ATOM 0 HA TYR A 77 3.311 4.754 -2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.366 3.320 0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.596 2.646 -1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.834 3.895 0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.918 1.529 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.020 3.023 -0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.102 0.649 -3.667 1.00 0.00 H new ATOM 0 HH TYR A 77 8.439 1.222 -3.592 1.00 0.00 H new ATOM 1172 N LYS A 78 0.710 4.367 -1.951 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.727 4.634 -1.864 1.00 0.00 C ATOM 1174 C LYS A 78 -1.537 3.350 -1.728 1.00 0.00 C ATOM 1175 O LYS A 78 -1.089 2.280 -2.126 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.189 5.405 -3.111 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.040 6.628 -2.804 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.387 7.401 -4.068 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.149 8.006 -4.710 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.476 9.191 -5.551 1.00 0.00 N ATOM 0 H LYS A 78 0.958 3.600 -2.576 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.898 5.233 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.312 5.719 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.758 4.731 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.957 6.317 -2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.505 7.280 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.878 6.736 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.097 8.192 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.444 8.298 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.654 7.253 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.603 9.572 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.129 8.909 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.925 9.921 -4.962 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.751 3.489 -1.196 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.665 2.366 -1.023 1.00 0.00 C ATOM 1196 C CYS A 79 -5.090 2.830 -1.290 1.00 0.00 C ATOM 1197 O CYS A 79 -5.579 3.734 -0.612 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.541 1.797 0.390 1.00 0.00 C ATOM 1199 SG CYS A 79 -3.977 0.037 0.518 1.00 0.00 S ATOM 0 H CYS A 79 -3.126 4.382 -0.874 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.409 1.577 -1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.517 1.933 0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.183 2.370 1.059 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.747 2.245 -2.303 1.00 0.00 N ATOM 1205 CA VAL A 80 -7.113 2.663 -2.670 1.00 0.00 C ATOM 1206 C VAL A 80 -8.114 1.503 -2.718 1.00 0.00 C ATOM 1207 O VAL A 80 -7.864 0.475 -3.342 1.00 0.00 O ATOM 1208 CB VAL A 80 -7.138 3.387 -4.047 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.455 4.127 -4.241 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.967 4.357 -4.196 1.00 0.00 C ATOM 0 H VAL A 80 -5.364 1.493 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.418 3.346 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.042 2.622 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.452 4.627 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.281 3.417 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.576 4.868 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.019 4.843 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.017 5.111 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.028 3.809 -4.113 1.00 0.00 H new ATOM 1220 N VAL A 81 -9.280 1.721 -2.095 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.380 0.755 -2.090 1.00 0.00 C ATOM 1222 C VAL A 81 -11.562 1.377 -2.842 1.00 0.00 C ATOM 1223 O VAL A 81 -11.921 2.516 -2.564 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.747 0.303 -0.617 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -12.163 0.687 -0.166 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -10.572 -1.207 -0.463 1.00 0.00 C ATOM 0 H VAL A 81 -9.485 2.577 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 81 -10.085 -0.161 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.055 0.847 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.327 0.338 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.275 1.771 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.894 0.225 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.828 -1.501 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.227 -1.723 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.536 -1.476 -0.668 1.00 0.00 H new ATOM 1236 N THR A 82 -12.141 0.651 -3.806 1.00 0.00 N ATOM 1237 CA THR A 82 -13.266 1.194 -4.600 1.00 0.00 C ATOM 1238 C THR A 82 -14.606 0.509 -4.309 1.00 0.00 C ATOM 1239 O THR A 82 -14.662 -0.680 -4.006 1.00 0.00 O ATOM 1240 CB THR A 82 -12.960 1.103 -6.091 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.578 1.298 -6.338 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.722 2.124 -6.905 1.00 0.00 C ATOM 0 H THR A 82 -11.861 -0.297 -4.057 1.00 0.00 H new ATOM 0 HA THR A 82 -13.369 2.237 -4.300 1.00 0.00 H new ATOM 0 HB THR A 82 -13.270 0.103 -6.395 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.405 1.234 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.466 2.014 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.793 1.968 -6.774 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.457 3.127 -6.570 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.695 1.283 -4.426 1.00 0.00 N ATOM 1251 CA ALA A 83 -17.048 0.773 -4.194 1.00 0.00 C ATOM 1252 C ALA A 83 -17.723 0.387 -5.509 1.00 0.00 C ATOM 1253 O ALA A 83 -17.180 0.635 -6.588 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.881 1.812 -3.458 1.00 0.00 C ATOM 0 H ALA A 83 -15.661 2.270 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.973 -0.123 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.885 1.422 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.416 2.038 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.940 2.721 -4.056 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.909 -0.226 -5.408 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.664 -0.659 -6.589 1.00 0.00 C ATOM 1262 C GLU A 84 -20.130 0.540 -7.418 1.00 0.00 C ATOM 1263 O GLU A 84 -19.985 0.547 -8.643 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.873 -1.502 -6.170 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.378 -2.435 -7.263 1.00 0.00 C ATOM 1266 CD GLU A 84 -20.772 -3.824 -7.184 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -19.557 -3.959 -7.437 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -21.516 -4.779 -6.873 1.00 0.00 O ATOM 0 H GLU A 84 -19.366 -0.433 -4.520 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.000 -1.265 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.606 -2.094 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.682 -0.836 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -22.463 -2.514 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.152 -2.001 -8.237 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.686 1.549 -6.741 1.00 0.00 N ATOM 1276 CA ASP A 85 -21.170 2.758 -7.413 1.00 0.00 C ATOM 1277 C ASP A 85 -20.010 3.631 -7.912 1.00 0.00 C ATOM 1278 O ASP A 85 -20.162 4.364 -8.892 1.00 0.00 O ATOM 1279 CB ASP A 85 -22.075 3.568 -6.473 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.383 3.952 -5.177 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.359 3.121 -4.246 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.868 5.088 -5.094 1.00 0.00 O ATOM 0 H ASP A 85 -20.812 1.552 -5.729 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.748 2.442 -8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.406 4.472 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.968 2.986 -6.244 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.857 3.553 -7.229 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.686 4.343 -7.608 1.00 0.00 C ATOM 1289 C GLY A 86 -16.986 5.001 -6.423 1.00 0.00 C ATOM 1290 O GLY A 86 -15.867 5.499 -6.569 1.00 0.00 O ATOM 0 H GLY A 86 -18.716 2.953 -6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.976 3.699 -8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.992 5.115 -8.314 1.00 0.00 H new ATOM 1294 N THR A 87 -17.634 5.006 -5.245 1.00 0.00 N ATOM 1295 CA THR A 87 -17.057 5.607 -4.036 1.00 0.00 C ATOM 1296 C THR A 87 -15.749 4.921 -3.646 1.00 0.00 C ATOM 1297 O THR A 87 -15.761 3.790 -3.166 1.00 0.00 O ATOM 1298 CB THR A 87 -18.053 5.521 -2.869 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.307 6.070 -3.236 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.583 6.240 -1.623 1.00 0.00 C ATOM 0 H THR A 87 -18.559 4.599 -5.107 1.00 0.00 H new ATOM 0 HA THR A 87 -16.845 6.654 -4.255 1.00 0.00 H new ATOM 0 HB THR A 87 -18.139 4.458 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.851 5.381 -3.671 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.334 6.139 -0.839 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.643 5.804 -1.284 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.433 7.296 -1.847 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.623 5.619 -3.846 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.301 5.077 -3.504 1.00 0.00 C ATOM 1310 C GLN A 88 -12.593 5.952 -2.464 1.00 0.00 C ATOM 1311 O GLN A 88 -12.517 7.172 -2.614 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.398 4.924 -4.743 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.587 5.994 -5.811 1.00 0.00 C ATOM 1314 CD GLN A 88 -11.741 5.747 -7.049 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -12.250 5.770 -8.170 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.446 5.508 -6.858 1.00 0.00 N ATOM 0 H GLN A 88 -14.601 6.559 -4.242 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.476 4.087 -3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.357 4.934 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.583 3.948 -5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -13.638 6.034 -6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.334 6.968 -5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.063 5.498 -5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.836 5.335 -7.657 1.00 0.00 H new ATOM 1325 N SER A 89 -12.050 5.307 -1.427 1.00 0.00 N ATOM 1326 CA SER A 89 -11.309 5.988 -0.364 1.00 0.00 C ATOM 1327 C SER A 89 -9.855 5.533 -0.413 1.00 0.00 C ATOM 1328 O SER A 89 -9.587 4.332 -0.404 1.00 0.00 O ATOM 1329 CB SER A 89 -11.917 5.665 1.002 1.00 0.00 C ATOM 1330 OG SER A 89 -11.190 6.294 2.044 1.00 0.00 O ATOM 0 H SER A 89 -12.113 4.297 -1.302 1.00 0.00 H new ATOM 0 HA SER A 89 -11.365 7.066 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.956 5.994 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.921 4.586 1.156 1.00 0.00 H new ATOM 0 HG SER A 89 -11.599 6.074 2.907 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.918 6.484 -0.507 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.490 6.149 -0.612 1.00 0.00 C ATOM 1338 C GLU A 90 -6.707 6.395 0.689 1.00 0.00 C ATOM 1339 O GLU A 90 -7.270 6.795 1.708 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.863 6.935 -1.775 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.811 8.441 -1.555 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.676 9.214 -2.850 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -5.741 8.916 -3.623 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -7.506 10.116 -3.093 1.00 0.00 O ATOM 0 H GLU A 90 -9.119 7.484 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.425 5.078 -0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.850 6.568 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.430 6.731 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.716 8.760 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.970 8.681 -0.904 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.391 6.147 0.620 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.483 6.327 1.750 1.00 0.00 C ATOM 1353 C ALA A 91 -3.045 6.492 1.246 1.00 0.00 C ATOM 1354 O ALA A 91 -2.785 6.327 0.049 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.579 5.144 2.707 1.00 0.00 C ATOM 0 H ALA A 91 -4.930 5.815 -0.227 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.772 7.228 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.896 5.296 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.599 5.062 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.311 4.228 2.181 1.00 0.00 H new ATOM 1361 N THR A 92 -2.118 6.822 2.149 1.00 0.00 N ATOM 1362 CA THR A 92 -0.712 7.013 1.774 1.00 0.00 C ATOM 1363 C THR A 92 0.225 6.675 2.934 1.00 0.00 C ATOM 1364 O THR A 92 -0.174 6.723 4.100 1.00 0.00 O ATOM 1365 CB THR A 92 -0.473 8.461 1.311 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.377 9.353 1.939 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.615 8.646 -0.186 1.00 0.00 C ATOM 0 H THR A 92 -2.313 6.962 3.140 1.00 0.00 H new ATOM 0 HA THR A 92 -0.493 6.333 0.951 1.00 0.00 H new ATOM 0 HB THR A 92 0.556 8.681 1.594 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.203 10.266 1.629 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.433 9.690 -0.442 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.109 8.015 -0.701 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.623 8.367 -0.493 1.00 0.00 H new ATOM 1375 N VAL A 93 1.480 6.338 2.601 1.00 0.00 N ATOM 1376 CA VAL A 93 2.484 5.998 3.612 1.00 0.00 C ATOM 1377 C VAL A 93 3.885 6.488 3.200 1.00 0.00 C ATOM 1378 O VAL A 93 4.446 6.010 2.214 1.00 0.00 O ATOM 1379 CB VAL A 93 2.507 4.467 3.871 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.805 3.704 2.582 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.497 4.096 4.979 1.00 0.00 C ATOM 0 H VAL A 93 1.820 6.295 1.640 1.00 0.00 H new ATOM 0 HA VAL A 93 2.205 6.506 4.535 1.00 0.00 H new ATOM 0 HB VAL A 93 1.515 4.174 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.816 2.634 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.035 3.924 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.777 4.009 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.485 3.017 5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.500 4.410 4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.212 4.596 5.904 1.00 0.00 H new ATOM 1391 N ASN A 94 4.437 7.431 3.974 1.00 0.00 N ATOM 1392 CA ASN A 94 5.772 7.976 3.705 1.00 0.00 C ATOM 1393 C ASN A 94 6.859 6.932 3.995 1.00 0.00 C ATOM 1394 O ASN A 94 7.315 6.796 5.132 1.00 0.00 O ATOM 1395 CB ASN A 94 6.001 9.256 4.543 1.00 0.00 C ATOM 1396 CG ASN A 94 7.417 9.840 4.456 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.912 10.413 5.426 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.076 9.707 3.302 1.00 0.00 N ATOM 0 H ASN A 94 3.979 7.832 4.792 1.00 0.00 H new ATOM 0 HA ASN A 94 5.834 8.235 2.648 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.290 10.016 4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.779 9.034 5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.018 10.086 3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.637 9.226 2.517 1.00 0.00 H new ATOM 1405 N VAL A 95 7.275 6.209 2.954 1.00 0.00 N ATOM 1406 CA VAL A 95 8.315 5.185 3.088 1.00 0.00 C ATOM 1407 C VAL A 95 9.682 5.754 2.705 1.00 0.00 C ATOM 1408 O VAL A 95 9.901 6.128 1.553 1.00 0.00 O ATOM 1409 CB VAL A 95 8.020 3.943 2.213 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.966 2.802 2.564 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.566 3.496 2.370 1.00 0.00 C ATOM 0 H VAL A 95 6.908 6.313 2.008 1.00 0.00 H new ATOM 0 HA VAL A 95 8.322 4.876 4.133 1.00 0.00 H new ATOM 0 HB VAL A 95 8.181 4.220 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.742 1.938 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.995 3.117 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.838 2.533 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.385 2.622 1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.374 3.243 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.902 4.304 2.065 1.00 0.00 H new ATOM 1421 N LYS A 96 10.593 5.817 3.681 1.00 0.00 N ATOM 1422 CA LYS A 96 11.942 6.342 3.454 1.00 0.00 C ATOM 1423 C LYS A 96 12.964 5.210 3.297 1.00 0.00 C ATOM 1424 O LYS A 96 12.777 4.111 3.828 1.00 0.00 O ATOM 1425 CB LYS A 96 12.348 7.270 4.621 1.00 0.00 C ATOM 1426 CG LYS A 96 12.735 8.674 4.184 1.00 0.00 C ATOM 1427 CD LYS A 96 13.272 9.492 5.349 1.00 0.00 C ATOM 1428 CE LYS A 96 12.147 10.089 6.181 1.00 0.00 C ATOM 1429 NZ LYS A 96 12.653 11.076 7.177 1.00 0.00 N ATOM 0 H LYS A 96 10.420 5.510 4.638 1.00 0.00 H new ATOM 0 HA LYS A 96 11.932 6.912 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.519 7.335 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.186 6.822 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.490 8.617 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.867 9.175 3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.896 8.860 5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.908 10.292 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.427 10.575 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.616 9.290 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.855 11.459 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.320 10.607 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.137 11.852 6.682 1.00 0.00 H new ATOM 1443 N ILE A 97 14.063 5.512 2.599 1.00 0.00 N ATOM 1444 CA ILE A 97 15.152 4.558 2.396 1.00 0.00 C ATOM 1445 C ILE A 97 16.484 5.308 2.345 1.00 0.00 C ATOM 1446 O ILE A 97 16.663 6.219 1.535 1.00 0.00 O ATOM 1447 CB ILE A 97 14.994 3.668 1.132 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.556 3.098 1.044 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.034 2.544 1.174 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.328 2.095 -0.079 1.00 0.00 C ATOM 0 H ILE A 97 14.220 6.420 2.162 1.00 0.00 H new ATOM 0 HA ILE A 97 15.123 3.875 3.245 1.00 0.00 H new ATOM 0 HB ILE A 97 15.162 4.270 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.312 2.620 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.860 3.927 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.927 1.916 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.035 2.975 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.881 1.940 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.293 1.754 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.534 2.570 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.994 1.242 0.054 1.00 0.00 H new ATOM 1462 N PHE A 98 17.406 4.926 3.236 1.00 0.00 N ATOM 1463 CA PHE A 98 18.728 5.565 3.329 1.00 0.00 C ATOM 1464 C PHE A 98 19.824 4.598 2.875 1.00 0.00 C ATOM 1465 O PHE A 98 19.903 3.463 3.359 1.00 0.00 O ATOM 1466 CB PHE A 98 19.014 6.084 4.772 1.00 0.00 C ATOM 1467 CG PHE A 98 18.037 5.619 5.828 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.778 6.194 5.925 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.372 4.600 6.703 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.877 5.763 6.874 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.472 4.161 7.653 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.222 4.745 7.738 1.00 0.00 C ATOM 0 H PHE A 98 17.261 4.173 3.908 1.00 0.00 H new ATOM 0 HA PHE A 98 18.727 6.428 2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 98 20.016 5.768 5.063 1.00 0.00 H new ATOM 0 HB3 PHE A 98 19.015 7.174 4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.501 6.989 5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.349 4.143 6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.902 6.222 6.941 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.744 3.363 8.328 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.516 4.404 8.481 1.00 0.00 H new ATOM 1482 N GLN A 99 20.660 5.060 1.939 1.00 0.00 N ATOM 1483 CA GLN A 99 21.752 4.252 1.402 1.00 0.00 C ATOM 1484 C GLN A 99 22.986 4.330 2.299 1.00 0.00 C ATOM 1485 O GLN A 99 23.236 5.411 2.868 1.00 0.00 O ATOM 1486 CB GLN A 99 22.098 4.716 -0.017 1.00 0.00 C ATOM 1487 CG GLN A 99 22.700 3.628 -0.890 1.00 0.00 C ATOM 1488 CD GLN A 99 22.845 4.054 -2.340 1.00 0.00 C ATOM 1489 OE1 GLN A 99 23.712 4.861 -2.675 1.00 0.00 O ATOM 1490 NE2 GLN A 99 21.993 3.518 -3.213 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.692 3.305 2.422 1.00 0.00 O ATOM 0 H GLN A 99 20.597 5.996 1.538 1.00 0.00 H new ATOM 0 HA GLN A 99 21.424 3.213 1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 99 21.195 5.094 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 99 22.799 5.549 0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.679 3.352 -0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 99 22.073 2.738 -0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.288 2.852 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 99 22.045 3.773 -4.199 1.00 0.00 H new