USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 8 SER OG : rot -151:sc= 1.35 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -90:sc= -0.0756 USER MOD Single : A 16 MET CE :methyl 154:sc= -0.0938 (180deg=-0.607) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00462 USER MOD Single : A 26 TYR OH : rot 35:sc= 0.0983 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0799 K(o=-0.08,f=-0.88) USER MOD Single : A 42 ASN : amide:sc= 0.0113 X(o=0.011,f=-0.12) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0627 USER MOD Single : A 70 ASN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.097 X(o=-0.097,f=-0.00031) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -122:sc= 1.2 (180deg=-0.833) USER MOD Single : A 85 LYS NZ :NH3+ -136:sc= 1.17 (180deg=0.11) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc=-0.00688 K(o=-0.0069,f=-1.9!) USER MOD Single : A 102 SER OG : rot -73:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 28 N ARG A 3 7.553 -3.355 7.838 1.00 0.00 N ATOM 29 CA ARG A 3 7.444 -3.598 6.409 1.00 0.00 C ATOM 30 C ARG A 3 6.406 -2.651 5.859 1.00 0.00 C ATOM 31 O ARG A 3 5.375 -2.407 6.489 1.00 0.00 O ATOM 32 CB ARG A 3 7.078 -5.058 6.139 1.00 0.00 C ATOM 33 CG ARG A 3 8.369 -5.876 6.041 1.00 0.00 C ATOM 34 CD ARG A 3 8.223 -7.358 6.378 1.00 0.00 C ATOM 35 NE ARG A 3 7.998 -8.186 5.193 1.00 0.00 N ATOM 36 CZ ARG A 3 8.059 -9.520 5.184 1.00 0.00 C ATOM 37 NH1 ARG A 3 8.307 -10.212 6.291 1.00 0.00 N ATOM 38 NH2 ARG A 3 7.879 -10.162 4.042 1.00 0.00 N ATOM 0 HA ARG A 3 8.398 -3.419 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.446 -5.444 6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.507 -5.140 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.762 -5.786 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.110 -5.438 6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.122 -7.700 6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.392 -7.489 7.071 1.00 0.00 H new ATOM 0 HE ARG A 3 7.780 -7.713 4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.456 -9.725 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.348 -11.231 6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.697 -9.638 3.186 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.922 -11.181 4.017 1.00 0.00 H new ATOM 52 N VAL A 4 6.698 -2.135 4.677 1.00 0.00 N ATOM 53 CA VAL A 4 5.887 -1.171 3.962 1.00 0.00 C ATOM 54 C VAL A 4 5.290 -1.963 2.796 1.00 0.00 C ATOM 55 O VAL A 4 6.010 -2.749 2.174 1.00 0.00 O ATOM 56 CB VAL A 4 6.793 0.042 3.602 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.372 0.022 2.199 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.140 1.407 3.822 1.00 0.00 C ATOM 0 H VAL A 4 7.545 -2.390 4.169 1.00 0.00 H new ATOM 0 HA VAL A 4 5.058 -0.726 4.513 1.00 0.00 H new ATOM 0 HB VAL A 4 7.608 -0.088 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.987 0.909 2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.984 -0.871 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.561 0.014 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.841 2.195 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.245 1.486 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.868 1.515 4.872 1.00 0.00 H new ATOM 68 N ALA A 5 3.991 -1.824 2.513 1.00 0.00 N ATOM 69 CA ALA A 5 3.416 -2.353 1.277 1.00 0.00 C ATOM 70 C ALA A 5 3.249 -1.186 0.304 1.00 0.00 C ATOM 71 O ALA A 5 2.922 -0.072 0.728 1.00 0.00 O ATOM 72 CB ALA A 5 2.074 -3.038 1.549 1.00 0.00 C ATOM 0 H ALA A 5 3.322 -1.352 3.121 1.00 0.00 H new ATOM 0 HA ALA A 5 4.075 -3.107 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.666 -3.423 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.221 -3.862 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.378 -2.317 1.979 1.00 0.00 H new ATOM 78 N ILE A 6 3.413 -1.428 -0.993 1.00 0.00 N ATOM 79 CA ILE A 6 3.250 -0.423 -2.035 1.00 0.00 C ATOM 80 C ILE A 6 2.324 -1.021 -3.114 1.00 0.00 C ATOM 81 O ILE A 6 2.611 -2.111 -3.622 1.00 0.00 O ATOM 82 CB ILE A 6 4.601 0.066 -2.591 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.628 0.450 -1.505 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.392 1.248 -3.547 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.553 -0.721 -1.130 1.00 0.00 C ATOM 0 H ILE A 6 3.668 -2.347 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 6 2.790 0.477 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 6 5.022 -0.785 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.231 1.286 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.100 0.792 -0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.357 1.581 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.759 0.936 -4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.912 2.068 -3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.256 -0.398 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.955 -1.549 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.104 -1.047 -2.013 1.00 0.00 H new ATOM 97 N PRO A 7 1.201 -0.349 -3.428 1.00 0.00 N ATOM 98 CA PRO A 7 0.161 -0.790 -4.331 1.00 0.00 C ATOM 99 C PRO A 7 0.590 -0.517 -5.770 1.00 0.00 C ATOM 100 O PRO A 7 0.306 0.543 -6.320 1.00 0.00 O ATOM 101 CB PRO A 7 -1.073 0.011 -3.894 1.00 0.00 C ATOM 102 CG PRO A 7 -0.534 1.318 -3.344 1.00 0.00 C ATOM 103 CD PRO A 7 0.825 0.924 -2.857 1.00 0.00 C ATOM 0 HA PRO A 7 -0.048 -1.859 -4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.745 0.186 -4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.643 -0.528 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.483 2.091 -4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.157 1.708 -2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.555 1.686 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.827 0.859 -1.769 1.00 0.00 H new ATOM 111 N SER A 8 1.302 -1.455 -6.373 1.00 0.00 N ATOM 112 CA SER A 8 1.791 -1.361 -7.734 1.00 0.00 C ATOM 113 C SER A 8 0.704 -1.786 -8.730 1.00 0.00 C ATOM 114 O SER A 8 -0.305 -2.412 -8.373 1.00 0.00 O ATOM 115 CB SER A 8 3.014 -2.287 -7.817 1.00 0.00 C ATOM 116 OG SER A 8 3.672 -2.207 -9.064 1.00 0.00 O ATOM 0 H SER A 8 1.562 -2.328 -5.913 1.00 0.00 H new ATOM 0 HA SER A 8 2.062 -0.337 -7.990 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.715 -2.029 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.699 -3.316 -7.642 1.00 0.00 H new ATOM 0 HG SER A 8 4.101 -3.065 -9.263 1.00 0.00 H new ATOM 122 N VAL A 9 0.970 -1.528 -10.011 1.00 0.00 N ATOM 123 CA VAL A 9 0.271 -2.128 -11.141 1.00 0.00 C ATOM 124 C VAL A 9 1.253 -2.896 -12.037 1.00 0.00 C ATOM 125 O VAL A 9 1.106 -2.957 -13.262 1.00 0.00 O ATOM 126 CB VAL A 9 -0.573 -1.066 -11.886 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.574 -0.388 -10.943 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.254 0.063 -12.521 1.00 0.00 C ATOM 0 H VAL A 9 1.700 -0.876 -10.296 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.442 -2.870 -10.781 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.070 -1.632 -12.674 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.151 0.352 -11.497 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.248 -1.137 -10.528 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.035 0.104 -10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.413 0.764 -13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.813 0.586 -11.745 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.949 -0.359 -13.246 1.00 0.00 H new ATOM 138 N GLY A 10 2.214 -3.577 -11.415 1.00 0.00 N ATOM 139 CA GLY A 10 3.017 -4.610 -12.044 1.00 0.00 C ATOM 140 C GLY A 10 4.014 -5.196 -11.055 1.00 0.00 C ATOM 141 O GLY A 10 4.183 -4.697 -9.936 1.00 0.00 O ATOM 0 H GLY A 10 2.457 -3.418 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.369 -5.399 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.549 -4.193 -12.900 1.00 0.00 H new ATOM 145 N LYS A 11 4.660 -6.278 -11.476 1.00 0.00 N ATOM 146 CA LYS A 11 5.558 -7.103 -10.678 1.00 0.00 C ATOM 147 C LYS A 11 7.002 -6.639 -10.857 1.00 0.00 C ATOM 148 O LYS A 11 7.899 -7.449 -11.095 1.00 0.00 O ATOM 149 CB LYS A 11 5.309 -8.594 -10.974 1.00 0.00 C ATOM 150 CG LYS A 11 5.224 -8.959 -12.457 1.00 0.00 C ATOM 151 CD LYS A 11 5.059 -10.477 -12.604 1.00 0.00 C ATOM 152 CE LYS A 11 4.661 -10.854 -14.034 1.00 0.00 C ATOM 153 NZ LYS A 11 4.152 -12.240 -14.091 1.00 0.00 N ATOM 0 H LYS A 11 4.566 -6.620 -12.432 1.00 0.00 H new ATOM 0 HA LYS A 11 5.350 -6.981 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.109 -9.177 -10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.380 -8.894 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.382 -8.445 -12.921 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.124 -8.629 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.992 -10.974 -12.340 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.300 -10.832 -11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.897 -10.166 -14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.522 -10.751 -14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.889 -12.473 -15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.892 -12.895 -13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.317 -12.329 -13.477 1.00 0.00 H new ATOM 167 N ASP A 12 7.217 -5.327 -10.774 1.00 0.00 N ATOM 168 CA ASP A 12 8.531 -4.705 -10.900 1.00 0.00 C ATOM 169 C ASP A 12 8.654 -3.610 -9.857 1.00 0.00 C ATOM 170 O ASP A 12 7.666 -2.990 -9.455 1.00 0.00 O ATOM 171 CB ASP A 12 8.684 -4.113 -12.304 1.00 0.00 C ATOM 172 CG ASP A 12 10.112 -3.960 -12.809 1.00 0.00 C ATOM 173 OD1 ASP A 12 10.985 -3.517 -12.032 1.00 0.00 O ATOM 174 OD2 ASP A 12 10.323 -4.184 -14.028 1.00 0.00 O ATOM 0 H ASP A 12 6.467 -4.655 -10.614 1.00 0.00 H new ATOM 0 HA ASP A 12 9.314 -5.447 -10.744 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.137 -4.744 -13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.207 -3.133 -12.318 1.00 0.00 H new ATOM 179 N LEU A 13 9.887 -3.332 -9.464 1.00 0.00 N ATOM 180 CA LEU A 13 10.258 -2.246 -8.577 1.00 0.00 C ATOM 181 C LEU A 13 10.230 -0.926 -9.355 1.00 0.00 C ATOM 182 O LEU A 13 10.168 0.152 -8.776 1.00 0.00 O ATOM 183 CB LEU A 13 11.656 -2.572 -8.040 1.00 0.00 C ATOM 184 CG LEU A 13 12.046 -2.052 -6.643 1.00 0.00 C ATOM 185 CD1 LEU A 13 12.009 -0.530 -6.557 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.204 -2.669 -5.522 1.00 0.00 C ATOM 0 H LEU A 13 10.690 -3.882 -9.769 1.00 0.00 H new ATOM 0 HA LEU A 13 9.565 -2.137 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.764 -3.657 -8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.384 -2.185 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 13 13.077 -2.373 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.292 -0.215 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.707 -0.108 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.001 -0.178 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.524 -2.265 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.153 -2.431 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.335 -3.751 -5.522 1.00 0.00 H new ATOM 198 N SER A 14 10.206 -0.983 -10.684 1.00 0.00 N ATOM 199 CA SER A 14 9.884 0.160 -11.510 1.00 0.00 C ATOM 200 C SER A 14 8.604 -0.094 -12.306 1.00 0.00 C ATOM 201 O SER A 14 8.486 0.331 -13.455 1.00 0.00 O ATOM 202 CB SER A 14 11.095 0.566 -12.352 1.00 0.00 C ATOM 203 OG SER A 14 12.015 -0.481 -12.645 1.00 0.00 O ATOM 0 H SER A 14 10.411 -1.830 -11.213 1.00 0.00 H new ATOM 0 HA SER A 14 9.663 1.025 -10.884 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.738 0.986 -13.292 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.629 1.360 -11.830 1.00 0.00 H new ATOM 0 HG SER A 14 12.751 -0.127 -13.186 1.00 0.00 H new ATOM 209 N SER A 15 7.603 -0.734 -11.695 1.00 0.00 N ATOM 210 CA SER A 15 6.250 -0.621 -12.206 1.00 0.00 C ATOM 211 C SER A 15 5.586 0.596 -11.562 1.00 0.00 C ATOM 212 O SER A 15 6.073 1.134 -10.569 1.00 0.00 O ATOM 213 CB SER A 15 5.448 -1.899 -11.925 1.00 0.00 C ATOM 214 OG SER A 15 5.786 -2.939 -12.824 1.00 0.00 O ATOM 0 H SER A 15 7.707 -1.320 -10.867 1.00 0.00 H new ATOM 0 HA SER A 15 6.277 -0.492 -13.288 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.634 -2.228 -10.902 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.382 -1.684 -12.002 1.00 0.00 H new ATOM 0 HG SER A 15 5.203 -2.894 -13.611 1.00 0.00 H new ATOM 220 N MET A 16 4.451 1.023 -12.097 1.00 0.00 N ATOM 221 CA MET A 16 3.773 2.245 -11.694 1.00 0.00 C ATOM 222 C MET A 16 3.017 2.013 -10.387 1.00 0.00 C ATOM 223 O MET A 16 2.490 0.918 -10.157 1.00 0.00 O ATOM 224 CB MET A 16 2.759 2.587 -12.799 1.00 0.00 C ATOM 225 CG MET A 16 3.318 3.587 -13.813 1.00 0.00 C ATOM 226 SD MET A 16 2.255 5.031 -14.019 1.00 0.00 S ATOM 227 CE MET A 16 2.314 5.688 -12.332 1.00 0.00 C ATOM 0 H MET A 16 3.966 0.518 -12.839 1.00 0.00 H new ATOM 0 HA MET A 16 4.493 3.050 -11.548 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.468 1.673 -13.317 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.857 2.998 -12.346 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.307 3.911 -13.491 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.443 3.092 -14.776 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.129 6.762 -12.353 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.552 5.200 -11.725 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.297 5.498 -11.902 1.00 0.00 H new ATOM 237 N VAL A 17 2.936 3.046 -9.544 1.00 0.00 N ATOM 238 CA VAL A 17 2.176 2.971 -8.295 1.00 0.00 C ATOM 239 C VAL A 17 0.755 3.482 -8.521 1.00 0.00 C ATOM 240 O VAL A 17 0.490 4.349 -9.360 1.00 0.00 O ATOM 241 CB VAL A 17 2.916 3.644 -7.116 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.361 3.212 -5.760 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.358 3.195 -7.117 1.00 0.00 C ATOM 0 H VAL A 17 3.389 3.946 -9.705 1.00 0.00 H new ATOM 0 HA VAL A 17 2.091 1.928 -7.992 1.00 0.00 H new ATOM 0 HB VAL A 17 2.796 4.719 -7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.914 3.712 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.307 3.483 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.465 2.132 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.886 3.666 -6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.402 2.111 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.828 3.483 -8.057 1.00 0.00 H new ATOM 253 N SER A 18 -0.172 2.886 -7.781 1.00 0.00 N ATOM 254 CA SER A 18 -1.599 2.957 -7.982 1.00 0.00 C ATOM 255 C SER A 18 -2.184 3.864 -6.913 1.00 0.00 C ATOM 256 O SER A 18 -1.874 3.702 -5.729 1.00 0.00 O ATOM 257 CB SER A 18 -2.125 1.516 -7.912 1.00 0.00 C ATOM 258 OG SER A 18 -3.358 1.354 -8.590 1.00 0.00 O ATOM 0 H SER A 18 0.076 2.307 -6.978 1.00 0.00 H new ATOM 0 HA SER A 18 -1.882 3.380 -8.946 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.386 0.842 -8.344 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.248 1.228 -6.868 1.00 0.00 H new ATOM 0 HG SER A 18 -3.650 0.421 -8.519 1.00 0.00 H new ATOM 264 N ASP A 19 -3.050 4.805 -7.302 1.00 0.00 N ATOM 265 CA ASP A 19 -3.552 5.836 -6.392 1.00 0.00 C ATOM 266 C ASP A 19 -4.678 5.254 -5.500 1.00 0.00 C ATOM 267 O ASP A 19 -5.726 5.873 -5.289 1.00 0.00 O ATOM 268 CB ASP A 19 -4.179 7.014 -7.179 1.00 0.00 C ATOM 269 CG ASP A 19 -3.321 7.788 -8.171 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.075 7.809 -8.052 1.00 0.00 O ATOM 271 OD2 ASP A 19 -3.948 8.419 -9.061 1.00 0.00 O ATOM 0 H ASP A 19 -3.420 4.873 -8.250 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.706 6.179 -5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.038 6.623 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.562 7.728 -6.450 1.00 0.00 H new ATOM 276 N ARG A 20 -4.558 4.004 -5.049 1.00 0.00 N ATOM 277 CA ARG A 20 -5.680 3.201 -4.568 1.00 0.00 C ATOM 278 C ARG A 20 -5.139 1.915 -3.971 1.00 0.00 C ATOM 279 O ARG A 20 -4.992 0.925 -4.679 1.00 0.00 O ATOM 280 CB ARG A 20 -6.687 2.892 -5.703 1.00 0.00 C ATOM 281 CG ARG A 20 -6.093 2.774 -7.120 1.00 0.00 C ATOM 282 CD ARG A 20 -7.166 2.520 -8.175 1.00 0.00 C ATOM 283 NE ARG A 20 -8.045 3.690 -8.369 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.966 3.809 -9.330 1.00 0.00 C ATOM 285 NH1 ARG A 20 -9.130 2.831 -10.215 1.00 0.00 N ATOM 286 NH2 ARG A 20 -9.733 4.892 -9.390 1.00 0.00 N ATOM 0 H ARG A 20 -3.664 3.515 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.219 3.766 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.197 1.958 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.445 3.675 -5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.555 3.690 -7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.366 1.962 -7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.689 2.265 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.768 1.661 -7.879 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.941 4.469 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.553 1.991 -10.160 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.832 2.920 -10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.620 5.636 -8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.435 4.980 -10.125 1.00 0.00 H new ATOM 300 N PHE A 21 -4.920 1.897 -2.657 1.00 0.00 N ATOM 301 CA PHE A 21 -4.473 0.696 -1.968 1.00 0.00 C ATOM 302 C PHE A 21 -5.333 -0.522 -2.319 1.00 0.00 C ATOM 303 O PHE A 21 -4.840 -1.515 -2.840 1.00 0.00 O ATOM 304 CB PHE A 21 -4.511 0.932 -0.455 1.00 0.00 C ATOM 305 CG PHE A 21 -4.298 -0.332 0.345 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.220 -1.175 0.019 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.212 -0.714 1.348 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.038 -2.383 0.699 1.00 0.00 C ATOM 309 CE2 PHE A 21 -4.988 -1.897 2.070 1.00 0.00 C ATOM 310 CZ PHE A 21 -3.900 -2.730 1.753 1.00 0.00 C ATOM 0 H PHE A 21 -5.047 2.706 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.454 0.486 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.744 1.659 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.472 1.369 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.530 -0.888 -0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.077 -0.102 1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.236 -3.048 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.656 -2.169 2.874 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.728 -3.634 2.318 1.00 0.00 H new ATOM 320 N ALA A 22 -6.627 -0.455 -2.002 1.00 0.00 N ATOM 321 CA ALA A 22 -7.520 -1.604 -2.046 1.00 0.00 C ATOM 322 C ALA A 22 -7.887 -2.028 -3.478 1.00 0.00 C ATOM 323 O ALA A 22 -8.634 -2.994 -3.648 1.00 0.00 O ATOM 324 CB ALA A 22 -8.756 -1.278 -1.203 1.00 0.00 C ATOM 0 H ALA A 22 -7.084 0.407 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.005 -2.469 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.442 -2.125 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.453 -1.077 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.254 -0.399 -1.613 1.00 0.00 H new ATOM 330 N ARG A 23 -7.383 -1.317 -4.496 1.00 0.00 N ATOM 331 CA ARG A 23 -7.469 -1.610 -5.906 1.00 0.00 C ATOM 332 C ARG A 23 -6.071 -1.417 -6.490 1.00 0.00 C ATOM 333 O ARG A 23 -5.875 -0.596 -7.391 1.00 0.00 O ATOM 334 CB ARG A 23 -8.479 -0.677 -6.553 1.00 0.00 C ATOM 335 CG ARG A 23 -9.865 -1.312 -6.622 1.00 0.00 C ATOM 336 CD ARG A 23 -10.073 -2.348 -7.743 1.00 0.00 C ATOM 337 NE ARG A 23 -10.448 -1.744 -9.040 1.00 0.00 N ATOM 338 CZ ARG A 23 -9.631 -1.387 -10.042 1.00 0.00 C ATOM 339 NH1 ARG A 23 -8.318 -1.481 -9.930 1.00 0.00 N ATOM 340 NH2 ARG A 23 -10.130 -0.904 -11.170 1.00 0.00 N ATOM 0 H ARG A 23 -6.865 -0.455 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.805 -2.631 -6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.532 0.253 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.146 -0.419 -7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.072 -1.793 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.602 -0.518 -6.745 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.156 -2.923 -7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.850 -3.050 -7.439 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.444 -1.580 -9.190 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.904 -1.832 -9.066 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.719 -1.203 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.139 -0.802 -11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.505 -0.634 -11.930 1.00 0.00 H new ATOM 354 N ALA A 24 -5.095 -2.158 -5.981 1.00 0.00 N ATOM 355 CA ALA A 24 -3.850 -2.302 -6.706 1.00 0.00 C ATOM 356 C ALA A 24 -3.871 -3.669 -7.382 1.00 0.00 C ATOM 357 O ALA A 24 -4.854 -4.397 -7.245 1.00 0.00 O ATOM 358 CB ALA A 24 -2.655 -2.116 -5.760 1.00 0.00 C ATOM 0 H ALA A 24 -5.142 -2.655 -5.092 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.742 -1.534 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.727 -2.227 -6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.694 -1.121 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.695 -2.867 -4.971 1.00 0.00 H new ATOM 364 N GLU A 25 -2.828 -4.027 -8.116 1.00 0.00 N ATOM 365 CA GLU A 25 -2.771 -5.323 -8.792 1.00 0.00 C ATOM 366 C GLU A 25 -1.589 -6.161 -8.327 1.00 0.00 C ATOM 367 O GLU A 25 -1.603 -7.385 -8.484 1.00 0.00 O ATOM 368 CB GLU A 25 -2.728 -5.098 -10.304 1.00 0.00 C ATOM 369 CG GLU A 25 -4.131 -4.937 -10.906 1.00 0.00 C ATOM 370 CD GLU A 25 -4.196 -5.507 -12.331 1.00 0.00 C ATOM 371 OE1 GLU A 25 -3.275 -5.250 -13.144 1.00 0.00 O ATOM 372 OE2 GLU A 25 -5.178 -6.226 -12.629 1.00 0.00 O ATOM 0 H GLU A 25 -2.006 -3.440 -8.261 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.667 -5.887 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.137 -4.208 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.224 -5.939 -10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.860 -5.445 -10.275 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.403 -3.882 -10.921 1.00 0.00 H new ATOM 379 N TYR A 26 -0.580 -5.527 -7.739 1.00 0.00 N ATOM 380 CA TYR A 26 0.591 -6.156 -7.189 1.00 0.00 C ATOM 381 C TYR A 26 0.922 -5.368 -5.924 1.00 0.00 C ATOM 382 O TYR A 26 0.725 -4.153 -5.871 1.00 0.00 O ATOM 383 CB TYR A 26 1.710 -6.113 -8.241 1.00 0.00 C ATOM 384 CG TYR A 26 1.448 -7.015 -9.437 1.00 0.00 C ATOM 385 CD1 TYR A 26 1.816 -8.372 -9.403 1.00 0.00 C ATOM 386 CD2 TYR A 26 0.778 -6.508 -10.565 1.00 0.00 C ATOM 387 CE1 TYR A 26 1.500 -9.221 -10.480 1.00 0.00 C ATOM 388 CE2 TYR A 26 0.465 -7.343 -11.648 1.00 0.00 C ATOM 389 CZ TYR A 26 0.798 -8.716 -11.597 1.00 0.00 C ATOM 390 OH TYR A 26 0.413 -9.554 -12.601 1.00 0.00 O ATOM 0 H TYR A 26 -0.567 -4.513 -7.634 1.00 0.00 H new ATOM 0 HA TYR A 26 0.451 -7.206 -6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.833 -5.087 -8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.650 -6.406 -7.773 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.344 -8.764 -8.546 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.501 -5.465 -10.598 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.795 -10.260 -10.452 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.029 -6.938 -12.519 1.00 0.00 H new ATOM 0 HH TYR A 26 0.178 -10.428 -12.225 1.00 0.00 H new ATOM 400 N PHE A 27 1.404 -6.053 -4.895 1.00 0.00 N ATOM 401 CA PHE A 27 1.711 -5.484 -3.595 1.00 0.00 C ATOM 402 C PHE A 27 3.148 -5.852 -3.276 1.00 0.00 C ATOM 403 O PHE A 27 3.454 -6.985 -2.907 1.00 0.00 O ATOM 404 CB PHE A 27 0.737 -5.978 -2.524 1.00 0.00 C ATOM 405 CG PHE A 27 -0.668 -5.434 -2.661 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.878 -4.046 -2.631 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.772 -6.297 -2.770 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.175 -3.522 -2.730 1.00 0.00 C ATOM 409 CE2 PHE A 27 -3.068 -5.771 -2.906 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.269 -4.382 -2.902 1.00 0.00 C ATOM 0 H PHE A 27 1.597 -7.053 -4.947 1.00 0.00 H new ATOM 0 HA PHE A 27 1.599 -4.400 -3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.698 -7.067 -2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.125 -5.705 -1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.035 -3.378 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.624 -7.367 -2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.331 -2.455 -2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.911 -6.437 -3.014 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.262 -3.977 -3.031 1.00 0.00 H new ATOM 420 N ILE A 28 4.031 -4.899 -3.504 1.00 0.00 N ATOM 421 CA ILE A 28 5.455 -4.988 -3.234 1.00 0.00 C ATOM 422 C ILE A 28 5.579 -4.708 -1.754 1.00 0.00 C ATOM 423 O ILE A 28 5.081 -3.687 -1.280 1.00 0.00 O ATOM 424 CB ILE A 28 6.178 -3.966 -4.142 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.698 -4.039 -5.616 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.692 -4.174 -4.042 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.646 -5.445 -6.220 1.00 0.00 C ATOM 0 H ILE A 28 3.763 -3.999 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 28 5.913 -5.952 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 28 5.927 -2.966 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.703 -3.598 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.359 -3.424 -6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.201 -3.454 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.011 -4.032 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.942 -5.185 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.298 -5.385 -7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.642 -5.888 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.961 -6.064 -5.641 1.00 0.00 H new ATOM 439 N ILE A 29 6.146 -5.662 -1.027 1.00 0.00 N ATOM 440 CA ILE A 29 6.410 -5.533 0.392 1.00 0.00 C ATOM 441 C ILE A 29 7.912 -5.403 0.515 1.00 0.00 C ATOM 442 O ILE A 29 8.624 -6.320 0.116 1.00 0.00 O ATOM 443 CB ILE A 29 5.844 -6.722 1.179 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.308 -6.670 1.100 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.344 -6.691 2.634 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.670 -7.924 1.688 1.00 0.00 C ATOM 0 H ILE A 29 6.438 -6.558 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 29 5.916 -4.662 0.823 1.00 0.00 H new ATOM 0 HB ILE A 29 6.189 -7.661 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.946 -5.792 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.001 -6.559 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.933 -7.541 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.433 -6.744 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.021 -5.765 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.585 -7.849 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.012 -8.799 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.956 -8.021 2.735 1.00 0.00 H new ATOM 458 N TYR A 30 8.360 -4.259 1.023 1.00 0.00 N ATOM 459 CA TYR A 30 9.758 -3.956 1.300 1.00 0.00 C ATOM 460 C TYR A 30 10.005 -4.076 2.803 1.00 0.00 C ATOM 461 O TYR A 30 9.245 -3.528 3.608 1.00 0.00 O ATOM 462 CB TYR A 30 10.060 -2.523 0.850 1.00 0.00 C ATOM 463 CG TYR A 30 11.496 -2.107 1.065 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.489 -2.485 0.143 1.00 0.00 C ATOM 465 CD2 TYR A 30 11.844 -1.411 2.237 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.843 -2.209 0.413 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.187 -1.118 2.505 1.00 0.00 C ATOM 468 CZ TYR A 30 14.192 -1.534 1.605 1.00 0.00 C ATOM 469 OH TYR A 30 15.495 -1.303 1.911 1.00 0.00 O ATOM 0 H TYR A 30 7.735 -3.489 1.262 1.00 0.00 H new ATOM 0 HA TYR A 30 10.403 -4.652 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.818 -2.426 -0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.408 -1.837 1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.213 -2.987 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.075 -1.103 2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.609 -2.511 -0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.454 -0.574 3.399 1.00 0.00 H new ATOM 0 HH TYR A 30 15.551 -0.827 2.766 1.00 0.00 H new ATOM 479 N ASP A 31 11.062 -4.792 3.173 1.00 0.00 N ATOM 480 CA ASP A 31 11.566 -4.933 4.540 1.00 0.00 C ATOM 481 C ASP A 31 12.457 -3.760 4.916 1.00 0.00 C ATOM 482 O ASP A 31 13.520 -3.601 4.313 1.00 0.00 O ATOM 483 CB ASP A 31 12.391 -6.224 4.682 1.00 0.00 C ATOM 484 CG ASP A 31 11.655 -7.256 5.504 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.513 -7.020 6.720 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.271 -8.297 4.925 1.00 0.00 O ATOM 0 H ASP A 31 11.619 -5.316 2.498 1.00 0.00 H new ATOM 0 HA ASP A 31 10.700 -4.965 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.609 -6.630 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.348 -5.997 5.151 1.00 0.00 H new ATOM 491 N THR A 32 12.144 -3.024 5.991 1.00 0.00 N ATOM 492 CA THR A 32 13.130 -2.106 6.580 1.00 0.00 C ATOM 493 C THR A 32 13.962 -2.881 7.611 1.00 0.00 C ATOM 494 O THR A 32 14.195 -2.423 8.730 1.00 0.00 O ATOM 495 CB THR A 32 12.463 -0.830 7.120 1.00 0.00 C ATOM 496 OG1 THR A 32 11.710 -1.139 8.281 1.00 0.00 O ATOM 497 CG2 THR A 32 11.579 -0.140 6.061 1.00 0.00 C ATOM 0 H THR A 32 11.239 -3.043 6.462 1.00 0.00 H new ATOM 0 HA THR A 32 13.818 -1.739 5.818 1.00 0.00 H new ATOM 0 HB THR A 32 13.252 -0.123 7.378 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.288 -0.324 8.624 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.130 0.756 6.490 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.190 0.136 5.201 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.792 -0.824 5.743 1.00 0.00 H new ATOM 505 N GLU A 33 14.327 -4.101 7.236 1.00 0.00 N ATOM 506 CA GLU A 33 15.212 -5.004 7.932 1.00 0.00 C ATOM 507 C GLU A 33 16.169 -5.423 6.852 1.00 0.00 C ATOM 508 O GLU A 33 17.080 -4.657 6.544 1.00 0.00 O ATOM 509 CB GLU A 33 14.445 -6.168 8.588 1.00 0.00 C ATOM 510 CG GLU A 33 13.765 -5.799 9.911 1.00 0.00 C ATOM 511 CD GLU A 33 14.664 -6.123 11.102 1.00 0.00 C ATOM 512 OE1 GLU A 33 15.549 -5.306 11.437 1.00 0.00 O ATOM 513 OE2 GLU A 33 14.507 -7.222 11.690 1.00 0.00 O ATOM 0 H GLU A 33 13.980 -4.509 6.368 1.00 0.00 H new ATOM 0 HA GLU A 33 15.731 -4.557 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.689 -6.530 7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.137 -6.992 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.521 -4.737 9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.824 -6.342 10.003 1.00 0.00 H new ATOM 520 N SER A 34 15.949 -6.569 6.215 1.00 0.00 N ATOM 521 CA SER A 34 17.047 -7.163 5.475 1.00 0.00 C ATOM 522 C SER A 34 16.983 -6.772 3.990 1.00 0.00 C ATOM 523 O SER A 34 17.273 -7.593 3.115 1.00 0.00 O ATOM 524 CB SER A 34 17.014 -8.680 5.714 1.00 0.00 C ATOM 525 OG SER A 34 18.323 -9.183 5.874 1.00 0.00 O ATOM 0 H SER A 34 15.067 -7.080 6.196 1.00 0.00 H new ATOM 0 HA SER A 34 18.006 -6.784 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.422 -8.902 6.602 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.527 -9.176 4.874 1.00 0.00 H new ATOM 0 HG SER A 34 18.285 -10.150 6.027 1.00 0.00 H new ATOM 531 N GLY A 35 16.592 -5.521 3.707 1.00 0.00 N ATOM 532 CA GLY A 35 16.344 -4.912 2.396 1.00 0.00 C ATOM 533 C GLY A 35 15.427 -5.693 1.443 1.00 0.00 C ATOM 534 O GLY A 35 15.264 -5.292 0.290 1.00 0.00 O ATOM 0 H GLY A 35 16.427 -4.851 4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.911 -3.925 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.304 -4.763 1.901 1.00 0.00 H new ATOM 538 N ASN A 36 14.879 -6.825 1.881 1.00 0.00 N ATOM 539 CA ASN A 36 14.249 -7.826 1.037 1.00 0.00 C ATOM 540 C ASN A 36 12.907 -7.308 0.539 1.00 0.00 C ATOM 541 O ASN A 36 12.148 -6.690 1.295 1.00 0.00 O ATOM 542 CB ASN A 36 14.067 -9.115 1.851 1.00 0.00 C ATOM 543 CG ASN A 36 13.494 -10.254 1.021 1.00 0.00 C ATOM 544 OD1 ASN A 36 12.320 -10.235 0.673 1.00 0.00 O ATOM 545 ND2 ASN A 36 14.274 -11.273 0.701 1.00 0.00 N ATOM 0 H ASN A 36 14.863 -7.075 2.870 1.00 0.00 H new ATOM 0 HA ASN A 36 14.876 -8.036 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.029 -9.419 2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.406 -8.917 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.899 -12.052 0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.251 -11.280 0.995 1.00 0.00 H new ATOM 552 N VAL A 37 12.595 -7.601 -0.714 1.00 0.00 N ATOM 553 CA VAL A 37 11.327 -7.278 -1.326 1.00 0.00 C ATOM 554 C VAL A 37 10.640 -8.557 -1.794 1.00 0.00 C ATOM 555 O VAL A 37 11.280 -9.562 -2.112 1.00 0.00 O ATOM 556 CB VAL A 37 11.459 -6.244 -2.461 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.236 -5.318 -2.416 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.707 -5.354 -2.392 1.00 0.00 C ATOM 0 H VAL A 37 13.237 -8.082 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 37 10.702 -6.801 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 37 11.537 -6.825 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.311 -4.578 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.329 -5.907 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.199 -4.811 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.707 -4.661 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.701 -4.791 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.601 -5.977 -2.434 1.00 0.00 H new ATOM 568 N GLU A 38 9.317 -8.496 -1.874 1.00 0.00 N ATOM 569 CA GLU A 38 8.443 -9.591 -2.232 1.00 0.00 C ATOM 570 C GLU A 38 7.325 -9.020 -3.088 1.00 0.00 C ATOM 571 O GLU A 38 6.654 -8.083 -2.650 1.00 0.00 O ATOM 572 CB GLU A 38 7.894 -10.161 -0.922 1.00 0.00 C ATOM 573 CG GLU A 38 6.769 -11.189 -1.080 1.00 0.00 C ATOM 574 CD GLU A 38 7.292 -12.626 -1.249 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.198 -13.046 -0.487 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.770 -13.368 -2.116 1.00 0.00 O ATOM 0 H GLU A 38 8.805 -7.635 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 38 8.950 -10.378 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.714 -10.625 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.528 -9.336 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.118 -11.145 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.161 -10.925 -1.945 1.00 0.00 H new ATOM 583 N VAL A 39 7.073 -9.613 -4.254 1.00 0.00 N ATOM 584 CA VAL A 39 5.884 -9.314 -5.045 1.00 0.00 C ATOM 585 C VAL A 39 4.758 -10.248 -4.591 1.00 0.00 C ATOM 586 O VAL A 39 4.851 -11.471 -4.747 1.00 0.00 O ATOM 587 CB VAL A 39 6.136 -9.474 -6.562 1.00 0.00 C ATOM 588 CG1 VAL A 39 4.919 -8.955 -7.344 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.414 -8.792 -7.073 1.00 0.00 C ATOM 0 H VAL A 39 7.686 -10.312 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 39 5.608 -8.272 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 39 6.284 -10.541 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.098 -9.068 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.035 -9.526 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.760 -7.902 -7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.510 -8.956 -8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.360 -7.722 -6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.280 -9.213 -6.563 1.00 0.00 H new ATOM 599 N VAL A 40 3.675 -9.688 -4.068 1.00 0.00 N ATOM 600 CA VAL A 40 2.348 -10.290 -4.128 1.00 0.00 C ATOM 601 C VAL A 40 1.717 -9.828 -5.441 1.00 0.00 C ATOM 602 O VAL A 40 1.867 -8.669 -5.822 1.00 0.00 O ATOM 603 CB VAL A 40 1.549 -9.845 -2.883 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.020 -9.842 -3.031 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.882 -10.764 -1.703 1.00 0.00 C ATOM 0 H VAL A 40 3.693 -8.791 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 40 2.370 -11.380 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 40 1.854 -8.810 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.435 -9.513 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.267 -9.162 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.325 -10.849 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.317 -10.449 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.617 -11.791 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.949 -10.707 -1.488 1.00 0.00 H new ATOM 615 N GLU A 41 0.984 -10.712 -6.103 1.00 0.00 N ATOM 616 CA GLU A 41 -0.041 -10.409 -7.092 1.00 0.00 C ATOM 617 C GLU A 41 -1.375 -10.415 -6.346 1.00 0.00 C ATOM 618 O GLU A 41 -1.570 -11.240 -5.444 1.00 0.00 O ATOM 619 CB GLU A 41 -0.011 -11.509 -8.160 1.00 0.00 C ATOM 620 CG GLU A 41 -1.101 -11.343 -9.224 1.00 0.00 C ATOM 621 CD GLU A 41 -1.032 -12.487 -10.228 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.624 -13.563 -9.961 1.00 0.00 O ATOM 623 OE2 GLU A 41 -0.336 -12.374 -11.263 1.00 0.00 O ATOM 0 H GLU A 41 1.095 -11.715 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 41 0.114 -9.446 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.965 -11.510 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.128 -12.479 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.082 -11.324 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.976 -10.390 -9.738 1.00 0.00 H new ATOM 630 N ASN A 42 -2.313 -9.532 -6.683 1.00 0.00 N ATOM 631 CA ASN A 42 -3.591 -9.479 -5.987 1.00 0.00 C ATOM 632 C ASN A 42 -4.665 -8.943 -6.917 1.00 0.00 C ATOM 633 O ASN A 42 -4.605 -7.800 -7.361 1.00 0.00 O ATOM 634 CB ASN A 42 -3.448 -8.637 -4.717 1.00 0.00 C ATOM 635 CG ASN A 42 -4.133 -9.305 -3.535 1.00 0.00 C ATOM 636 OD1 ASN A 42 -5.112 -8.815 -2.988 1.00 0.00 O ATOM 637 ND2 ASN A 42 -3.594 -10.431 -3.096 1.00 0.00 N ATOM 0 H ASN A 42 -2.210 -8.847 -7.432 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.896 -10.481 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.392 -8.489 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.880 -7.650 -4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.995 -10.907 -2.288 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.778 -10.823 -3.566 1.00 0.00 H new ATOM 754 N PRO A 52 -11.452 -8.268 3.919 1.00 0.00 N ATOM 755 CA PRO A 52 -10.294 -7.588 3.372 1.00 0.00 C ATOM 756 C PRO A 52 -9.648 -8.412 2.272 1.00 0.00 C ATOM 757 O PRO A 52 -9.554 -7.914 1.148 1.00 0.00 O ATOM 758 CB PRO A 52 -9.398 -7.308 4.575 1.00 0.00 C ATOM 759 CG PRO A 52 -9.672 -8.447 5.559 1.00 0.00 C ATOM 760 CD PRO A 52 -11.120 -8.857 5.218 1.00 0.00 C ATOM 0 HA PRO A 52 -10.536 -6.650 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.348 -7.283 4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.629 -6.340 5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.975 -9.274 5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.578 -8.118 6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.212 -9.942 5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.809 -8.504 5.986 1.00 0.00 H new ATOM 768 N LYS A 53 -9.198 -9.638 2.575 1.00 0.00 N ATOM 769 CA LYS A 53 -8.310 -10.448 1.736 1.00 0.00 C ATOM 770 C LYS A 53 -6.950 -9.777 1.561 1.00 0.00 C ATOM 771 O LYS A 53 -5.971 -10.310 2.070 1.00 0.00 O ATOM 772 CB LYS A 53 -9.029 -10.884 0.444 1.00 0.00 C ATOM 773 CG LYS A 53 -8.260 -10.751 -0.884 1.00 0.00 C ATOM 774 CD LYS A 53 -9.185 -10.946 -2.078 1.00 0.00 C ATOM 775 CE LYS A 53 -10.163 -9.767 -2.192 1.00 0.00 C ATOM 776 NZ LYS A 53 -11.019 -9.973 -3.375 1.00 0.00 N ATOM 0 H LYS A 53 -9.453 -10.108 3.444 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.070 -11.385 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.321 -11.928 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.947 -10.303 0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.792 -9.768 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.458 -11.488 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.597 -11.030 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.739 -11.878 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.774 -9.695 -1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.615 -8.829 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.686 -9.180 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.426 -10.023 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.549 -10.862 -3.269 1.00 0.00 H new ATOM 790 N VAL A 54 -6.895 -8.602 0.931 1.00 0.00 N ATOM 791 CA VAL A 54 -5.670 -7.895 0.604 1.00 0.00 C ATOM 792 C VAL A 54 -4.933 -7.630 1.912 1.00 0.00 C ATOM 793 O VAL A 54 -3.888 -8.213 2.174 1.00 0.00 O ATOM 794 CB VAL A 54 -5.954 -6.634 -0.262 1.00 0.00 C ATOM 795 CG1 VAL A 54 -7.313 -5.945 -0.045 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.859 -5.569 -0.144 1.00 0.00 C ATOM 0 H VAL A 54 -7.733 -8.106 0.627 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.016 -8.494 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.972 -7.064 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.392 -5.081 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.117 -6.647 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.394 -5.619 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.114 -4.714 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.776 -5.246 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.907 -5.988 -0.471 1.00 0.00 H new ATOM 806 N VAL A 55 -5.545 -6.810 2.763 1.00 0.00 N ATOM 807 CA VAL A 55 -5.096 -6.468 4.105 1.00 0.00 C ATOM 808 C VAL A 55 -4.757 -7.740 4.849 1.00 0.00 C ATOM 809 O VAL A 55 -3.613 -7.846 5.253 1.00 0.00 O ATOM 810 CB VAL A 55 -6.137 -5.559 4.802 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.450 -4.559 5.724 1.00 0.00 C ATOM 812 CG2 VAL A 55 -7.012 -4.757 3.809 1.00 0.00 C ATOM 0 H VAL A 55 -6.417 -6.341 2.518 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.181 -5.877 4.080 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.781 -6.236 5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.201 -3.931 6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.885 -5.096 6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.772 -3.935 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.720 -4.141 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.375 -4.117 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.558 -5.447 3.166 1.00 0.00 H new ATOM 822 N GLN A 56 -5.671 -8.714 4.906 1.00 0.00 N ATOM 823 CA GLN A 56 -5.468 -9.990 5.580 1.00 0.00 C ATOM 824 C GLN A 56 -4.079 -10.587 5.255 1.00 0.00 C ATOM 825 O GLN A 56 -3.288 -10.882 6.150 1.00 0.00 O ATOM 826 CB GLN A 56 -6.620 -10.960 5.243 1.00 0.00 C ATOM 827 CG GLN A 56 -7.455 -11.331 6.482 1.00 0.00 C ATOM 828 CD GLN A 56 -7.175 -12.743 6.988 1.00 0.00 C ATOM 829 OE1 GLN A 56 -6.121 -13.044 7.542 1.00 0.00 O ATOM 830 NE2 GLN A 56 -8.106 -13.655 6.777 1.00 0.00 N ATOM 0 H GLN A 56 -6.591 -8.630 4.474 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.483 -9.822 6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.268 -10.504 4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.210 -11.867 4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.248 -10.617 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.514 -11.241 6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.978 -13.396 6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.953 -14.618 7.075 1.00 0.00 H new ATOM 839 N SER A 57 -3.768 -10.719 3.962 1.00 0.00 N ATOM 840 CA SER A 57 -2.535 -11.302 3.452 1.00 0.00 C ATOM 841 C SER A 57 -1.319 -10.407 3.719 1.00 0.00 C ATOM 842 O SER A 57 -0.282 -10.884 4.177 1.00 0.00 O ATOM 843 CB SER A 57 -2.722 -11.545 1.946 1.00 0.00 C ATOM 844 OG SER A 57 -1.749 -12.420 1.416 1.00 0.00 O ATOM 0 H SER A 57 -4.395 -10.410 3.219 1.00 0.00 H new ATOM 0 HA SER A 57 -2.336 -12.240 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.714 -11.959 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.675 -10.592 1.419 1.00 0.00 H new ATOM 0 HG SER A 57 -1.909 -12.546 0.457 1.00 0.00 H new ATOM 850 N LEU A 58 -1.408 -9.104 3.443 1.00 0.00 N ATOM 851 CA LEU A 58 -0.259 -8.212 3.599 1.00 0.00 C ATOM 852 C LEU A 58 0.123 -8.100 5.080 1.00 0.00 C ATOM 853 O LEU A 58 1.302 -8.147 5.424 1.00 0.00 O ATOM 854 CB LEU A 58 -0.559 -6.836 2.988 1.00 0.00 C ATOM 855 CG LEU A 58 -0.913 -6.852 1.486 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.245 -5.431 1.035 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.166 -7.425 0.572 1.00 0.00 C ATOM 0 H LEU A 58 -2.258 -8.646 3.113 1.00 0.00 H new ATOM 0 HA LEU A 58 0.593 -8.630 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.386 -6.384 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.309 -6.193 3.134 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.767 -7.523 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.496 -5.435 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.094 -5.057 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.382 -4.786 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.178 -7.392 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.077 -6.835 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.371 -8.458 0.854 1.00 0.00 H new ATOM 869 N VAL A 59 -0.875 -8.016 5.959 1.00 0.00 N ATOM 870 CA VAL A 59 -0.747 -8.082 7.409 1.00 0.00 C ATOM 871 C VAL A 59 -0.064 -9.389 7.823 1.00 0.00 C ATOM 872 O VAL A 59 0.837 -9.352 8.663 1.00 0.00 O ATOM 873 CB VAL A 59 -2.158 -7.889 8.011 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.328 -8.418 9.439 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.494 -6.395 8.012 1.00 0.00 C ATOM 0 H VAL A 59 -1.843 -7.894 5.661 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.105 -7.291 7.797 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.831 -8.473 7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.349 -8.238 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.124 -9.489 9.457 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.632 -7.905 10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.488 -6.246 8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.760 -5.857 8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.474 -6.017 6.990 1.00 0.00 H new ATOM 885 N SER A 60 -0.417 -10.521 7.202 1.00 0.00 N ATOM 886 CA SER A 60 0.243 -11.796 7.448 1.00 0.00 C ATOM 887 C SER A 60 1.757 -11.705 7.213 1.00 0.00 C ATOM 888 O SER A 60 2.504 -12.413 7.886 1.00 0.00 O ATOM 889 CB SER A 60 -0.387 -12.884 6.566 1.00 0.00 C ATOM 890 OG SER A 60 -0.022 -14.183 6.986 1.00 0.00 O ATOM 0 H SER A 60 -1.170 -10.572 6.515 1.00 0.00 H new ATOM 0 HA SER A 60 0.099 -12.060 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.472 -12.787 6.590 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.077 -12.737 5.532 1.00 0.00 H new ATOM 0 HG SER A 60 -0.444 -14.847 6.401 1.00 0.00 H new ATOM 896 N LYS A 61 2.232 -10.837 6.311 1.00 0.00 N ATOM 897 CA LYS A 61 3.651 -10.699 5.975 1.00 0.00 C ATOM 898 C LYS A 61 4.215 -9.460 6.683 1.00 0.00 C ATOM 899 O LYS A 61 5.037 -8.742 6.117 1.00 0.00 O ATOM 900 CB LYS A 61 3.792 -10.608 4.443 1.00 0.00 C ATOM 901 CG LYS A 61 3.215 -11.826 3.688 1.00 0.00 C ATOM 902 CD LYS A 61 2.552 -11.431 2.361 1.00 0.00 C ATOM 903 CE LYS A 61 3.532 -11.328 1.184 1.00 0.00 C ATOM 904 NZ LYS A 61 3.655 -12.598 0.439 1.00 0.00 N ATOM 0 H LYS A 61 1.630 -10.202 5.787 1.00 0.00 H new ATOM 0 HA LYS A 61 4.222 -11.563 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.290 -9.706 4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.847 -10.503 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.014 -12.541 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.484 -12.329 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.783 -12.164 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.050 -10.472 2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.199 -10.543 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.513 -11.032 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.327 -12.477 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.999 -13.343 1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.726 -12.869 0.059 1.00 0.00 H new ATOM 918 N GLY A 62 3.782 -9.221 7.923 1.00 0.00 N ATOM 919 CA GLY A 62 4.329 -8.243 8.855 1.00 0.00 C ATOM 920 C GLY A 62 4.355 -6.797 8.382 1.00 0.00 C ATOM 921 O GLY A 62 5.103 -5.990 8.942 1.00 0.00 O ATOM 0 H GLY A 62 2.997 -9.735 8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.751 -8.290 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.348 -8.540 9.102 1.00 0.00 H new ATOM 925 N VAL A 63 3.576 -6.448 7.364 1.00 0.00 N ATOM 926 CA VAL A 63 3.428 -5.083 6.900 1.00 0.00 C ATOM 927 C VAL A 63 2.699 -4.310 7.996 1.00 0.00 C ATOM 928 O VAL A 63 1.508 -4.578 8.205 1.00 0.00 O ATOM 929 CB VAL A 63 2.633 -5.099 5.584 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.282 -3.703 5.075 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.414 -5.795 4.471 1.00 0.00 C ATOM 0 H VAL A 63 3.023 -7.120 6.833 1.00 0.00 H new ATOM 0 HA VAL A 63 4.387 -4.604 6.704 1.00 0.00 H new ATOM 0 HB VAL A 63 1.716 -5.638 5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.722 -3.786 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.676 -3.186 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.198 -3.139 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.824 -5.789 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.353 -5.269 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.623 -6.825 4.762 1.00 0.00 H new ATOM 941 N GLU A 64 3.355 -3.331 8.637 1.00 0.00 N ATOM 942 CA GLU A 64 2.627 -2.383 9.484 1.00 0.00 C ATOM 943 C GLU A 64 2.880 -0.942 9.053 1.00 0.00 C ATOM 944 O GLU A 64 2.711 -0.045 9.861 1.00 0.00 O ATOM 945 CB GLU A 64 3.044 -2.502 10.959 1.00 0.00 C ATOM 946 CG GLU A 64 2.961 -3.928 11.517 1.00 0.00 C ATOM 947 CD GLU A 64 2.546 -3.975 12.988 1.00 0.00 C ATOM 948 OE1 GLU A 64 2.794 -3.025 13.763 1.00 0.00 O ATOM 949 OE2 GLU A 64 2.035 -5.032 13.417 1.00 0.00 O ATOM 0 H GLU A 64 4.362 -3.179 8.586 1.00 0.00 H new ATOM 0 HA GLU A 64 1.572 -2.632 9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.066 -2.139 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.409 -1.850 11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.247 -4.502 10.926 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.931 -4.413 11.404 1.00 0.00 H new ATOM 956 N TYR A 65 3.023 -0.666 7.763 1.00 0.00 N ATOM 957 CA TYR A 65 3.279 0.614 7.128 1.00 0.00 C ATOM 958 C TYR A 65 2.799 0.381 5.686 1.00 0.00 C ATOM 959 O TYR A 65 2.672 -0.758 5.232 1.00 0.00 O ATOM 960 CB TYR A 65 4.771 0.998 7.047 1.00 0.00 C ATOM 961 CG TYR A 65 5.583 1.623 8.189 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.083 1.870 9.485 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.886 2.073 7.886 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.870 2.494 10.470 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.663 2.755 8.845 1.00 0.00 C ATOM 966 CZ TYR A 65 7.164 2.955 10.153 1.00 0.00 C ATOM 967 OH TYR A 65 7.897 3.622 11.089 1.00 0.00 O ATOM 0 H TYR A 65 2.955 -1.410 7.069 1.00 0.00 H new ATOM 0 HA TYR A 65 2.793 1.411 7.690 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.300 0.087 6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.857 1.687 6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.073 1.573 9.726 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.295 1.892 6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.482 2.620 11.470 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.642 3.126 8.580 1.00 0.00 H new ATOM 0 HH TYR A 65 8.766 3.869 10.709 1.00 0.00 H new ATOM 977 N LEU A 66 2.561 1.428 4.910 1.00 0.00 N ATOM 978 CA LEU A 66 2.016 1.329 3.559 1.00 0.00 C ATOM 979 C LEU A 66 2.218 2.680 2.896 1.00 0.00 C ATOM 980 O LEU A 66 2.238 3.694 3.583 1.00 0.00 O ATOM 981 CB LEU A 66 0.535 0.907 3.650 1.00 0.00 C ATOM 982 CG LEU A 66 -0.416 1.294 2.502 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.075 0.700 1.131 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.826 0.787 2.818 1.00 0.00 C ATOM 0 H LEU A 66 2.743 2.388 5.204 1.00 0.00 H new ATOM 0 HA LEU A 66 2.517 0.573 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.506 -0.178 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.128 1.324 4.571 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.326 2.378 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.807 1.036 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.919 1.029 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.094 -0.388 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.501 1.060 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.807 -0.298 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.175 1.237 3.747 1.00 0.00 H new ATOM 996 N ILE A 67 2.369 2.704 1.579 1.00 0.00 N ATOM 997 CA ILE A 67 2.531 3.899 0.770 1.00 0.00 C ATOM 998 C ILE A 67 1.393 3.896 -0.248 1.00 0.00 C ATOM 999 O ILE A 67 1.450 3.146 -1.215 1.00 0.00 O ATOM 1000 CB ILE A 67 3.933 3.870 0.131 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.059 3.964 1.196 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.118 5.147 -0.683 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.413 3.444 0.717 1.00 0.00 C ATOM 0 H ILE A 67 2.382 1.850 1.022 1.00 0.00 H new ATOM 0 HA ILE A 67 2.473 4.824 1.344 1.00 0.00 H new ATOM 0 HB ILE A 67 3.997 2.945 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.169 5.004 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.757 3.401 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.106 5.145 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.355 5.197 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.025 6.013 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.145 3.544 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.322 2.394 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.740 4.022 -0.147 1.00 0.00 H new ATOM 1015 N ALA A 68 0.322 4.654 -0.009 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.881 4.661 -0.834 1.00 0.00 C ATOM 1017 C ALA A 68 -1.580 6.016 -0.694 1.00 0.00 C ATOM 1018 O ALA A 68 -2.138 6.308 0.369 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.859 3.571 -0.378 1.00 0.00 C ATOM 0 H ALA A 68 0.268 5.294 0.783 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.589 4.477 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.749 3.594 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.381 2.595 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.143 3.748 0.659 1.00 0.00 H new ATOM 1025 N SER A 69 -1.611 6.797 -1.777 1.00 0.00 N ATOM 1026 CA SER A 69 -2.204 8.139 -1.804 1.00 0.00 C ATOM 1027 C SER A 69 -3.639 8.180 -1.280 1.00 0.00 C ATOM 1028 O SER A 69 -4.054 9.192 -0.723 1.00 0.00 O ATOM 1029 CB SER A 69 -2.165 8.710 -3.223 1.00 0.00 C ATOM 1030 OG SER A 69 -2.987 7.985 -4.110 1.00 0.00 O ATOM 0 H SER A 69 -1.219 6.511 -2.674 1.00 0.00 H new ATOM 0 HA SER A 69 -1.600 8.749 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.485 9.752 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.139 8.699 -3.590 1.00 0.00 H new ATOM 0 HG SER A 69 -2.935 8.383 -5.004 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.383 7.087 -1.454 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.756 6.906 -1.041 1.00 0.00 C ATOM 1038 C ASN A 70 -6.012 5.406 -1.000 1.00 0.00 C ATOM 1039 O ASN A 70 -5.247 4.590 -1.537 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.718 7.551 -2.055 1.00 0.00 C ATOM 1041 CG ASN A 70 -6.971 9.020 -1.750 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -6.656 9.888 -2.550 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -7.604 9.323 -0.628 1.00 0.00 N ATOM 0 H ASN A 70 -4.010 6.258 -1.917 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.922 7.373 -0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.303 7.456 -3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.665 7.012 -2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.837 10.294 -0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.859 8.585 0.029 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.152 5.018 -0.443 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.626 3.661 -0.430 1.00 0.00 C ATOM 1052 C VAL A 71 -8.633 3.531 -1.581 1.00 0.00 C ATOM 1053 O VAL A 71 -9.211 4.520 -2.033 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.096 3.357 1.011 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.554 3.631 1.332 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -7.806 1.905 1.345 1.00 0.00 C ATOM 0 H VAL A 71 -7.784 5.668 0.024 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.888 2.885 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.530 4.062 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.752 3.376 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.770 4.687 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.189 3.027 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.138 1.692 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.337 1.258 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.735 1.721 1.267 1.00 0.00 H new ATOM 1066 N GLY A 72 -8.807 2.323 -2.120 1.00 0.00 N ATOM 1067 CA GLY A 72 -9.752 2.091 -3.212 1.00 0.00 C ATOM 1068 C GLY A 72 -11.186 2.138 -2.686 1.00 0.00 C ATOM 1069 O GLY A 72 -12.065 2.716 -3.327 1.00 0.00 O ATOM 0 H GLY A 72 -8.304 1.489 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.616 2.845 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.557 1.122 -3.672 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.380 1.574 -1.492 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.585 1.509 -0.675 1.00 0.00 C ATOM 1075 C ARG A 73 -12.219 0.703 0.582 1.00 0.00 C ATOM 1076 O ARG A 73 -11.028 0.582 0.885 1.00 0.00 O ATOM 1077 CB ARG A 73 -13.794 0.893 -1.430 1.00 0.00 C ATOM 1078 CG ARG A 73 -15.068 1.651 -1.013 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.354 0.823 -0.942 1.00 0.00 C ATOM 1080 NE ARG A 73 -16.736 0.224 -2.227 1.00 0.00 N ATOM 1081 CZ ARG A 73 -17.963 -0.185 -2.572 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -19.002 -0.062 -1.757 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -18.132 -0.744 -3.757 1.00 0.00 N ATOM 0 H ARG A 73 -10.607 1.100 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.914 2.514 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.645 0.966 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.889 -0.167 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.895 2.100 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.226 2.469 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.226 0.031 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.167 1.458 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.998 0.109 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.880 0.355 -0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.923 -0.385 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.337 -0.856 -4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.057 -1.064 -4.043 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.233 0.176 1.283 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.198 -0.634 2.504 1.00 0.00 C ATOM 1099 C ASN A 74 -11.919 -1.460 2.629 1.00 0.00 C ATOM 1100 O ASN A 74 -11.790 -2.502 1.982 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.431 -1.552 2.570 1.00 0.00 C ATOM 1102 CG ASN A 74 -14.820 -1.868 4.008 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -15.897 -1.461 4.422 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -14.021 -2.586 4.778 1.00 0.00 N ATOM 0 H ASN A 74 -14.194 0.323 0.976 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.212 0.060 3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.269 -1.073 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.223 -2.480 2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.299 -2.809 5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.127 -2.917 4.416 1.00 0.00 H new ATOM 1111 N ALA A 75 -10.969 -0.976 3.425 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.694 -1.609 3.732 1.00 0.00 C ATOM 1113 C ALA A 75 -8.931 -0.779 4.762 1.00 0.00 C ATOM 1114 O ALA A 75 -8.251 -1.352 5.601 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.822 -1.728 2.477 1.00 0.00 C ATOM 0 H ALA A 75 -11.077 -0.079 3.899 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.907 -2.603 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.876 -2.204 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.339 -2.330 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.630 -0.734 2.072 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.025 0.552 4.709 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.354 1.481 5.617 1.00 0.00 C ATOM 1123 C PHE A 76 -8.726 1.215 7.064 1.00 0.00 C ATOM 1124 O PHE A 76 -7.851 1.250 7.917 1.00 0.00 O ATOM 1125 CB PHE A 76 -8.683 2.910 5.194 1.00 0.00 C ATOM 1126 CG PHE A 76 -8.350 4.019 6.170 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.056 4.569 6.222 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -9.380 4.590 6.934 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -6.813 5.727 6.985 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.134 5.732 7.713 1.00 0.00 C ATOM 1131 CZ PHE A 76 -7.859 6.319 7.716 1.00 0.00 C ATOM 0 H PHE A 76 -9.591 1.028 4.007 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.276 1.334 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.159 3.114 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.750 2.960 4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.249 4.103 5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.366 4.149 6.923 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.824 6.161 7.009 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.926 6.159 8.310 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.681 7.224 8.279 1.00 0.00 H new ATOM 1141 N GLU A 77 -9.980 0.887 7.344 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.425 0.542 8.683 1.00 0.00 C ATOM 1143 C GLU A 77 -9.844 -0.810 9.132 1.00 0.00 C ATOM 1144 O GLU A 77 -9.604 -1.011 10.318 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.952 0.623 8.710 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.505 2.044 8.452 1.00 0.00 C ATOM 1147 CD GLU A 77 -11.984 3.160 9.375 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -11.635 2.886 10.546 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -11.884 4.315 8.897 1.00 0.00 O ATOM 0 H GLU A 77 -10.720 0.853 6.643 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.046 1.250 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.356 -0.056 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.308 0.275 9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.276 2.318 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.591 2.009 8.538 1.00 0.00 H new ATOM 1156 N THR A 78 -9.488 -1.698 8.198 1.00 0.00 N ATOM 1157 CA THR A 78 -8.744 -2.923 8.490 1.00 0.00 C ATOM 1158 C THR A 78 -7.219 -2.677 8.545 1.00 0.00 C ATOM 1159 O THR A 78 -6.502 -3.475 9.141 1.00 0.00 O ATOM 1160 CB THR A 78 -9.159 -3.991 7.459 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.574 -4.122 7.468 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.597 -5.382 7.739 1.00 0.00 C ATOM 0 H THR A 78 -9.711 -1.584 7.209 1.00 0.00 H new ATOM 0 HA THR A 78 -8.994 -3.287 9.487 1.00 0.00 H new ATOM 0 HB THR A 78 -8.761 -3.646 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.844 -4.799 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.936 -6.073 6.968 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.508 -5.342 7.737 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.945 -5.726 8.713 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.712 -1.568 7.988 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.292 -1.208 8.048 1.00 0.00 C ATOM 1172 C LEU A 79 -4.929 -0.894 9.492 1.00 0.00 C ATOM 1173 O LEU A 79 -4.161 -1.606 10.129 1.00 0.00 O ATOM 1174 CB LEU A 79 -4.956 -0.063 7.078 1.00 0.00 C ATOM 1175 CG LEU A 79 -4.875 -0.581 5.615 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -4.966 0.541 4.565 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.612 -1.414 5.333 1.00 0.00 C ATOM 0 H LEU A 79 -7.282 -0.892 7.480 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.682 -2.049 7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.716 0.715 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.006 0.391 7.360 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.750 -1.224 5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.903 0.110 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.915 1.066 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.145 1.243 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.618 -1.744 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.726 -0.805 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.595 -2.284 5.990 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.568 0.124 10.047 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.489 0.472 11.454 1.00 0.00 C ATOM 1191 C LYS A 80 -5.871 -0.662 12.393 1.00 0.00 C ATOM 1192 O LYS A 80 -5.289 -0.739 13.475 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.360 1.694 11.714 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.770 1.639 11.090 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.210 2.995 10.548 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.229 3.676 9.596 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.782 4.954 10.193 1.00 0.00 N ATOM 0 H LYS A 80 -6.173 0.748 9.514 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.443 0.690 11.670 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.461 1.826 12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.845 2.576 11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.781 0.906 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.485 1.299 11.839 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.161 2.868 10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.392 3.661 11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.373 3.027 9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.705 3.857 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.011 5.737 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.266 5.101 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.754 4.923 10.350 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.801 -1.541 12.014 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.102 -2.707 12.834 1.00 0.00 C ATOM 1213 C ALA A 81 -5.826 -3.504 13.131 1.00 0.00 C ATOM 1214 O ALA A 81 -5.641 -3.913 14.274 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.181 -3.590 12.202 1.00 0.00 C ATOM 0 H ALA A 81 -7.349 -1.467 11.157 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.506 -2.348 13.781 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.374 -4.447 12.847 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.098 -3.014 12.081 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.841 -3.939 11.227 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.922 -3.686 12.157 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.639 -4.348 12.390 1.00 0.00 C ATOM 1223 C ALA A 82 -2.504 -3.336 12.617 1.00 0.00 C ATOM 1224 O ALA A 82 -1.354 -3.614 12.275 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.348 -5.202 11.145 1.00 0.00 C ATOM 0 H ALA A 82 -5.062 -3.380 11.194 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.694 -4.958 13.292 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.396 -5.718 11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.143 -5.935 11.013 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.298 -4.559 10.266 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.787 -2.223 13.293 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.848 -1.142 13.575 1.00 0.00 C ATOM 1233 C GLY A 83 -0.992 -0.671 12.397 1.00 0.00 C ATOM 1234 O GLY A 83 0.133 -0.214 12.604 1.00 0.00 O ATOM 0 H GLY A 83 -3.716 -2.044 13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.411 -0.289 13.953 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.182 -1.465 14.375 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.480 -0.788 11.162 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.673 -0.550 9.975 1.00 0.00 C ATOM 1240 C VAL A 84 -0.722 0.940 9.652 1.00 0.00 C ATOM 1241 O VAL A 84 -1.799 1.474 9.362 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.142 -1.443 8.801 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.178 -1.464 7.594 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.374 -2.888 9.241 1.00 0.00 C ATOM 0 H VAL A 84 -2.445 -1.050 10.961 1.00 0.00 H new ATOM 0 HA VAL A 84 0.366 -0.826 10.155 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.077 -0.982 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.582 -2.113 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.065 -0.454 7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.795 -1.840 7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.702 -3.480 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.446 -3.302 9.635 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.140 -2.914 10.016 1.00 0.00 H new ATOM 1254 N LYS A 85 0.444 1.589 9.573 1.00 0.00 N ATOM 1255 CA LYS A 85 0.527 2.993 9.199 1.00 0.00 C ATOM 1256 C LYS A 85 0.377 3.114 7.680 1.00 0.00 C ATOM 1257 O LYS A 85 0.573 2.141 6.954 1.00 0.00 O ATOM 1258 CB LYS A 85 1.803 3.644 9.809 1.00 0.00 C ATOM 1259 CG LYS A 85 2.719 4.534 8.932 1.00 0.00 C ATOM 1260 CD LYS A 85 3.326 5.708 9.710 1.00 0.00 C ATOM 1261 CE LYS A 85 4.471 5.385 10.670 1.00 0.00 C ATOM 1262 NZ LYS A 85 4.689 6.503 11.616 1.00 0.00 N ATOM 0 H LYS A 85 1.347 1.155 9.766 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.294 3.571 9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.483 4.248 10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.420 2.837 10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.522 3.924 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.145 4.920 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.685 6.443 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.529 6.184 10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.243 4.473 11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.384 5.196 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.709 6.687 11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.214 7.357 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.298 6.252 12.546 1.00 0.00 H new ATOM 1276 N VAL A 86 0.016 4.286 7.173 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.136 4.588 5.753 1.00 0.00 C ATOM 1278 C VAL A 86 0.530 5.934 5.483 1.00 0.00 C ATOM 1279 O VAL A 86 0.489 6.847 6.312 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.622 4.636 5.347 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -1.779 4.861 3.832 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.298 3.314 5.688 1.00 0.00 C ATOM 0 H VAL A 86 -0.188 5.090 7.767 1.00 0.00 H new ATOM 0 HA VAL A 86 0.335 3.803 5.161 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.081 5.461 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.838 4.890 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.313 5.806 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.298 4.046 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.348 3.357 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.805 2.504 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.225 3.134 6.761 1.00 0.00 H new ATOM 1292 N TYR A 87 1.073 6.075 4.281 1.00 0.00 N ATOM 1293 CA TYR A 87 1.606 7.295 3.720 1.00 0.00 C ATOM 1294 C TYR A 87 0.830 7.675 2.474 1.00 0.00 C ATOM 1295 O TYR A 87 0.320 6.807 1.772 1.00 0.00 O ATOM 1296 CB TYR A 87 3.066 7.055 3.345 1.00 0.00 C ATOM 1297 CG TYR A 87 3.990 7.210 4.521 1.00 0.00 C ATOM 1298 CD1 TYR A 87 4.240 6.130 5.387 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.568 8.462 4.763 1.00 0.00 C ATOM 1300 CE1 TYR A 87 5.112 6.298 6.475 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.491 8.627 5.796 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.774 7.537 6.653 1.00 0.00 C ATOM 1303 OH TYR A 87 6.699 7.663 7.636 1.00 0.00 O ATOM 0 H TYR A 87 1.155 5.288 3.637 1.00 0.00 H new ATOM 0 HA TYR A 87 1.525 8.101 4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.173 6.052 2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.358 7.755 2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.764 5.176 5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.297 9.306 4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.276 5.488 7.171 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.984 9.577 5.940 1.00 0.00 H new ATOM 0 HH TYR A 87 7.063 8.573 7.628 1.00 0.00 H new ATOM 1313 N ARG A 88 0.854 8.959 2.146 1.00 0.00 N ATOM 1314 CA ARG A 88 0.465 9.515 0.862 1.00 0.00 C ATOM 1315 C ARG A 88 1.649 9.258 -0.054 1.00 0.00 C ATOM 1316 O ARG A 88 2.777 9.364 0.408 1.00 0.00 O ATOM 1317 CB ARG A 88 0.295 11.037 1.053 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.062 11.870 -0.197 1.00 0.00 C ATOM 1319 CD ARG A 88 -1.481 12.440 -0.181 1.00 0.00 C ATOM 1320 NE ARG A 88 -1.692 13.467 -1.224 1.00 0.00 N ATOM 1321 CZ ARG A 88 -2.013 14.754 -1.007 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -1.833 15.317 0.184 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -2.540 15.472 -1.990 1.00 0.00 N ATOM 0 H ARG A 88 1.161 9.676 2.803 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.456 9.088 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.482 11.199 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.223 11.431 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.648 12.692 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.058 11.246 -1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.196 11.630 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.683 12.874 0.798 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.584 13.172 -2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.445 14.771 0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.083 16.295 0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.699 15.047 -2.903 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.786 16.449 -1.832 1.00 0.00 H new ATOM 1337 N PHE A 89 1.406 9.014 -1.333 1.00 0.00 N ATOM 1338 CA PHE A 89 2.355 9.259 -2.420 1.00 0.00 C ATOM 1339 C PHE A 89 1.645 10.202 -3.391 1.00 0.00 C ATOM 1340 O PHE A 89 0.427 10.361 -3.276 1.00 0.00 O ATOM 1341 CB PHE A 89 2.812 7.916 -3.027 1.00 0.00 C ATOM 1342 CG PHE A 89 2.615 7.714 -4.528 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.312 7.678 -5.059 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.695 7.426 -5.388 1.00 0.00 C ATOM 1345 CE1 PHE A 89 1.084 7.455 -6.424 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.454 7.139 -6.731 1.00 0.00 C ATOM 1347 CZ PHE A 89 2.164 7.189 -7.273 1.00 0.00 C ATOM 0 H PHE A 89 0.519 8.629 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 89 3.280 9.736 -2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.873 7.792 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.284 7.116 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.469 7.825 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.706 7.428 -5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.079 7.488 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.283 6.871 -7.369 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.005 7.025 -8.329 1.00 0.00 H new ATOM 1357 N GLU A 90 2.340 10.814 -4.346 1.00 0.00 N ATOM 1358 CA GLU A 90 1.664 11.640 -5.337 1.00 0.00 C ATOM 1359 C GLU A 90 2.503 11.689 -6.616 1.00 0.00 C ATOM 1360 O GLU A 90 2.970 12.745 -7.054 1.00 0.00 O ATOM 1361 CB GLU A 90 1.340 13.030 -4.756 1.00 0.00 C ATOM 1362 CG GLU A 90 0.207 13.664 -5.569 1.00 0.00 C ATOM 1363 CD GLU A 90 -0.258 14.990 -4.981 1.00 0.00 C ATOM 1364 OE1 GLU A 90 0.477 16.002 -5.094 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -1.411 15.043 -4.482 1.00 0.00 O ATOM 0 H GLU A 90 3.353 10.755 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 90 0.703 11.200 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.047 12.941 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.225 13.665 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.543 13.822 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.635 12.974 -5.613 1.00 0.00 H new ATOM 1372 N GLY A 91 2.734 10.520 -7.207 1.00 0.00 N ATOM 1373 CA GLY A 91 3.300 10.366 -8.536 1.00 0.00 C ATOM 1374 C GLY A 91 4.626 9.620 -8.505 1.00 0.00 C ATOM 1375 O GLY A 91 5.555 10.087 -7.835 1.00 0.00 O ATOM 0 H GLY A 91 2.525 9.629 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.596 9.828 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.447 11.349 -8.984 1.00 0.00 H new ATOM 1379 N GLY A 92 4.732 8.484 -9.202 1.00 0.00 N ATOM 1380 CA GLY A 92 5.933 7.656 -9.160 1.00 0.00 C ATOM 1381 C GLY A 92 5.719 6.188 -9.531 1.00 0.00 C ATOM 1382 O GLY A 92 4.584 5.694 -9.569 1.00 0.00 O ATOM 0 H GLY A 92 3.994 8.119 -9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.674 8.082 -9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.354 7.704 -8.156 1.00 0.00 H new ATOM 1386 N THR A 93 6.827 5.480 -9.749 1.00 0.00 N ATOM 1387 CA THR A 93 6.883 4.029 -9.746 1.00 0.00 C ATOM 1388 C THR A 93 7.137 3.500 -8.331 1.00 0.00 C ATOM 1389 O THR A 93 7.316 4.267 -7.382 1.00 0.00 O ATOM 1390 CB THR A 93 8.018 3.548 -10.654 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.232 4.051 -10.148 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.866 3.938 -12.119 1.00 0.00 C ATOM 0 H THR A 93 7.730 5.916 -9.937 1.00 0.00 H new ATOM 0 HA THR A 93 5.926 3.654 -10.108 1.00 0.00 H new ATOM 0 HB THR A 93 7.993 2.458 -10.643 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.972 3.752 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.714 3.556 -12.687 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.943 3.513 -12.515 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.832 5.024 -12.205 1.00 0.00 H new ATOM 1400 N VAL A 94 7.105 2.174 -8.167 1.00 0.00 N ATOM 1401 CA VAL A 94 7.339 1.524 -6.888 1.00 0.00 C ATOM 1402 C VAL A 94 8.603 2.065 -6.222 1.00 0.00 C ATOM 1403 O VAL A 94 8.556 2.261 -5.017 1.00 0.00 O ATOM 1404 CB VAL A 94 7.321 -0.006 -7.049 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.736 -0.741 -5.769 1.00 0.00 C ATOM 1406 CG2 VAL A 94 5.922 -0.495 -7.438 1.00 0.00 C ATOM 0 H VAL A 94 6.914 1.523 -8.928 1.00 0.00 H new ATOM 0 HA VAL A 94 6.524 1.764 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 94 8.043 -0.230 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.705 -1.817 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.748 -0.447 -5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.050 -0.483 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.933 -1.580 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.210 -0.215 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.627 -0.039 -8.383 1.00 0.00 H new ATOM 1416 N GLN A 95 9.689 2.362 -6.942 1.00 0.00 N ATOM 1417 CA GLN A 95 10.892 2.906 -6.316 1.00 0.00 C ATOM 1418 C GLN A 95 10.705 4.299 -5.723 1.00 0.00 C ATOM 1419 O GLN A 95 11.289 4.590 -4.686 1.00 0.00 O ATOM 1420 CB GLN A 95 12.067 2.898 -7.312 1.00 0.00 C ATOM 1421 CG GLN A 95 13.441 2.860 -6.617 1.00 0.00 C ATOM 1422 CD GLN A 95 14.574 2.431 -7.559 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.470 1.435 -8.278 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.710 3.103 -7.547 1.00 0.00 N ATOM 0 H GLN A 95 9.758 2.235 -7.952 1.00 0.00 H new ATOM 0 HA GLN A 95 11.116 2.250 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.974 2.033 -7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.009 3.785 -7.942 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.666 3.847 -6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.397 2.172 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.808 3.929 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.490 2.797 -8.129 1.00 0.00 H new ATOM 1433 N GLU A 96 9.874 5.134 -6.330 1.00 0.00 N ATOM 1434 CA GLU A 96 9.602 6.495 -5.929 1.00 0.00 C ATOM 1435 C GLU A 96 8.831 6.475 -4.640 1.00 0.00 C ATOM 1436 O GLU A 96 9.180 7.246 -3.762 1.00 0.00 O ATOM 1437 CB GLU A 96 8.748 7.195 -6.973 1.00 0.00 C ATOM 1438 CG GLU A 96 9.448 7.469 -8.298 1.00 0.00 C ATOM 1439 CD GLU A 96 10.777 8.197 -8.115 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.777 9.322 -7.566 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.812 7.670 -8.576 1.00 0.00 O ATOM 0 H GLU A 96 9.347 4.860 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 96 10.549 7.023 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.864 6.587 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.400 8.142 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.622 6.526 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.795 8.066 -8.934 1.00 0.00 H new ATOM 1448 N ALA A 97 7.851 5.576 -4.480 1.00 0.00 N ATOM 1449 CA ALA A 97 7.222 5.354 -3.199 1.00 0.00 C ATOM 1450 C ALA A 97 8.247 5.310 -2.058 1.00 0.00 C ATOM 1451 O ALA A 97 8.035 5.888 -0.996 1.00 0.00 O ATOM 1452 CB ALA A 97 6.464 4.029 -3.325 1.00 0.00 C ATOM 0 H ALA A 97 7.485 4.995 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 97 6.548 6.173 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.964 3.805 -2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.722 4.108 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.166 3.230 -3.563 1.00 0.00 H new ATOM 1458 N ILE A 98 9.377 4.645 -2.281 1.00 0.00 N ATOM 1459 CA ILE A 98 10.356 4.311 -1.263 1.00 0.00 C ATOM 1460 C ILE A 98 11.345 5.452 -1.165 1.00 0.00 C ATOM 1461 O ILE A 98 11.623 5.907 -0.073 1.00 0.00 O ATOM 1462 CB ILE A 98 11.134 3.035 -1.645 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.268 2.012 -2.364 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.844 2.411 -0.433 1.00 0.00 C ATOM 1465 CD1 ILE A 98 8.953 1.617 -1.684 1.00 0.00 C ATOM 0 H ILE A 98 9.641 4.314 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 98 9.839 4.143 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 98 11.901 3.350 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.034 2.402 -3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.860 1.108 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.380 1.515 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.550 3.129 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.106 2.146 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.432 0.883 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.165 1.187 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.326 2.500 -1.564 1.00 0.00 H new ATOM 1477 N ASP A 99 11.882 5.929 -2.281 1.00 0.00 N ATOM 1478 CA ASP A 99 12.804 7.059 -2.383 1.00 0.00 C ATOM 1479 C ASP A 99 12.155 8.318 -1.823 1.00 0.00 C ATOM 1480 O ASP A 99 12.850 9.220 -1.358 1.00 0.00 O ATOM 1481 CB ASP A 99 13.216 7.289 -3.849 1.00 0.00 C ATOM 1482 CG ASP A 99 14.551 6.641 -4.211 1.00 0.00 C ATOM 1483 OD1 ASP A 99 14.876 5.540 -3.699 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.273 7.217 -5.057 1.00 0.00 O ATOM 0 H ASP A 99 11.676 5.517 -3.191 1.00 0.00 H new ATOM 0 HA ASP A 99 13.697 6.829 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.439 6.894 -4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.277 8.361 -4.038 1.00 0.00 H new ATOM 1489 N ALA A 100 10.823 8.363 -1.831 1.00 0.00 N ATOM 1490 CA ALA A 100 10.065 9.426 -1.213 1.00 0.00 C ATOM 1491 C ALA A 100 9.944 9.155 0.296 1.00 0.00 C ATOM 1492 O ALA A 100 10.379 9.976 1.098 1.00 0.00 O ATOM 1493 CB ALA A 100 8.733 9.551 -1.953 1.00 0.00 C ATOM 0 H ALA A 100 10.243 7.650 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 100 10.560 10.394 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.141 10.349 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.920 9.783 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.187 8.610 -1.881 1.00 0.00 H new ATOM 1499 N PHE A 101 9.394 8.006 0.707 1.00 0.00 N ATOM 1500 CA PHE A 101 9.196 7.643 2.116 1.00 0.00 C ATOM 1501 C PHE A 101 10.493 7.655 2.924 1.00 0.00 C ATOM 1502 O PHE A 101 10.515 8.131 4.063 1.00 0.00 O ATOM 1503 CB PHE A 101 8.526 6.264 2.169 1.00 0.00 C ATOM 1504 CG PHE A 101 8.829 5.368 3.358 1.00 0.00 C ATOM 1505 CD1 PHE A 101 8.078 5.477 4.541 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.843 4.394 3.256 1.00 0.00 C ATOM 1507 CE1 PHE A 101 8.339 4.613 5.618 1.00 0.00 C ATOM 1508 CE2 PHE A 101 10.097 3.528 4.332 1.00 0.00 C ATOM 1509 CZ PHE A 101 9.347 3.638 5.513 1.00 0.00 C ATOM 0 H PHE A 101 9.068 7.290 0.058 1.00 0.00 H new ATOM 0 HA PHE A 101 8.557 8.395 2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.447 6.415 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.803 5.723 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.302 6.223 4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.425 4.314 2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.764 4.698 6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.869 2.778 4.251 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.544 2.974 6.341 1.00 0.00 H new ATOM 1519 N SER A 102 11.542 7.081 2.344 1.00 0.00 N ATOM 1520 CA SER A 102 12.827 6.847 2.984 1.00 0.00 C ATOM 1521 C SER A 102 13.431 8.188 3.374 1.00 0.00 C ATOM 1522 O SER A 102 13.754 8.401 4.547 1.00 0.00 O ATOM 1523 CB SER A 102 13.742 6.036 2.055 1.00 0.00 C ATOM 1524 OG SER A 102 14.001 6.676 0.826 1.00 0.00 O ATOM 0 H SER A 102 11.517 6.754 1.378 1.00 0.00 H new ATOM 0 HA SER A 102 12.701 6.256 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.687 5.846 2.564 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.283 5.066 1.862 1.00 0.00 H new ATOM 0 HG SER A 102 13.200 6.639 0.263 1.00 0.00 H new ATOM 1530 N GLU A 103 13.486 9.120 2.424 1.00 0.00 N ATOM 1531 CA GLU A 103 13.966 10.473 2.645 1.00 0.00 C ATOM 1532 C GLU A 103 12.811 11.338 3.155 1.00 0.00 C ATOM 1533 O GLU A 103 12.825 12.558 3.008 1.00 0.00 O ATOM 1534 CB GLU A 103 14.426 10.956 1.249 1.00 0.00 C ATOM 1535 CG GLU A 103 15.629 10.197 0.633 1.00 0.00 C ATOM 1536 CD GLU A 103 16.962 10.981 0.643 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.017 12.129 1.153 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.947 10.510 0.014 1.00 0.00 O ATOM 0 H GLU A 103 13.191 8.947 1.463 1.00 0.00 H new ATOM 0 HA GLU A 103 14.769 10.528 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.583 10.879 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.685 12.013 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.769 9.263 1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.386 9.933 -0.396 1.00 0.00 H new ATOM 1545 N GLY A 104 11.919 10.763 3.967 1.00 0.00 N ATOM 1546 CA GLY A 104 10.874 11.445 4.705 1.00 0.00 C ATOM 1547 C GLY A 104 10.059 12.452 3.890 1.00 0.00 C ATOM 1548 O GLY A 104 9.492 13.381 4.468 1.00 0.00 O ATOM 0 H GLY A 104 11.914 9.756 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.195 10.699 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.326 11.965 5.550 1.00 0.00 H new ATOM 1552 N ARG A 105 9.982 12.304 2.569 1.00 0.00 N ATOM 1553 CA ARG A 105 9.264 13.199 1.670 1.00 0.00 C ATOM 1554 C ARG A 105 7.898 12.621 1.344 1.00 0.00 C ATOM 1555 O ARG A 105 7.390 12.820 0.242 1.00 0.00 O ATOM 1556 CB ARG A 105 10.087 13.315 0.379 1.00 0.00 C ATOM 1557 CG ARG A 105 11.303 14.228 0.535 1.00 0.00 C ATOM 1558 CD ARG A 105 12.351 13.923 -0.541 1.00 0.00 C ATOM 1559 NE ARG A 105 12.971 15.155 -1.042 1.00 0.00 N ATOM 1560 CZ ARG A 105 13.245 15.423 -2.318 1.00 0.00 C ATOM 1561 NH1 ARG A 105 13.267 14.446 -3.220 1.00 0.00 N ATOM 1562 NH2 ARG A 105 13.425 16.681 -2.701 1.00 0.00 N ATOM 0 H ARG A 105 10.434 11.531 2.081 1.00 0.00 H new ATOM 0 HA ARG A 105 9.127 14.175 2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.420 12.323 0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.451 13.697 -0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.993 15.270 0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.740 14.094 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.119 13.268 -0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.883 13.386 -1.366 1.00 0.00 H new ATOM 0 HE ARG A 105 13.213 15.868 -0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.073 13.486 -2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 105 13.477 14.657 -4.195 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.353 17.437 -2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.635 16.892 -3.677 1.00 0.00 H new ATOM 1576 N LEU A 106 7.233 11.991 2.306 1.00 0.00 N ATOM 1577 CA LEU A 106 5.853 11.583 2.154 1.00 0.00 C ATOM 1578 C LEU A 106 5.100 11.971 3.418 1.00 0.00 C ATOM 1579 O LEU A 106 5.703 12.247 4.459 1.00 0.00 O ATOM 1580 CB LEU A 106 5.760 10.076 1.896 1.00 0.00 C ATOM 1581 CG LEU A 106 6.181 9.610 0.487 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.810 8.135 0.335 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.566 10.349 -0.720 1.00 0.00 C ATOM 0 H LEU A 106 7.640 11.752 3.210 1.00 0.00 H new ATOM 0 HA LEU A 106 5.407 12.084 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.381 9.562 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.732 9.759 2.071 1.00 0.00 H new ATOM 0 HG LEU A 106 7.249 9.825 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.100 7.787 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.331 7.549 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.734 8.016 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.950 9.918 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.481 10.247 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.832 11.405 -0.674 1.00 0.00 H new ATOM 1595 N GLU A 107 3.776 11.950 3.335 1.00 0.00 N ATOM 1596 CA GLU A 107 2.881 12.477 4.356 1.00 0.00 C ATOM 1597 C GLU A 107 2.209 11.293 5.029 1.00 0.00 C ATOM 1598 O GLU A 107 1.815 10.368 4.325 1.00 0.00 O ATOM 1599 CB GLU A 107 1.804 13.374 3.720 1.00 0.00 C ATOM 1600 CG GLU A 107 2.326 14.301 2.612 1.00 0.00 C ATOM 1601 CD GLU A 107 1.203 15.163 2.034 1.00 0.00 C ATOM 1602 OE1 GLU A 107 0.587 15.944 2.795 1.00 0.00 O ATOM 1603 OE2 GLU A 107 0.922 15.053 0.815 1.00 0.00 O ATOM 0 H GLU A 107 3.282 11.555 2.534 1.00 0.00 H new ATOM 0 HA GLU A 107 3.445 13.074 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.018 12.741 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.347 13.982 4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.111 14.943 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.775 13.705 1.818 1.00 0.00 H new ATOM 1610 N GLU A 108 2.048 11.290 6.347 1.00 0.00 N ATOM 1611 CA GLU A 108 1.421 10.179 7.052 1.00 0.00 C ATOM 1612 C GLU A 108 -0.101 10.305 6.908 1.00 0.00 C ATOM 1613 O GLU A 108 -0.729 11.144 7.553 1.00 0.00 O ATOM 1614 CB GLU A 108 1.898 10.189 8.513 1.00 0.00 C ATOM 1615 CG GLU A 108 1.707 8.807 9.132 1.00 0.00 C ATOM 1616 CD GLU A 108 2.204 8.731 10.577 1.00 0.00 C ATOM 1617 OE1 GLU A 108 3.436 8.885 10.784 1.00 0.00 O ATOM 1618 OE2 GLU A 108 1.393 8.390 11.467 1.00 0.00 O ATOM 0 H GLU A 108 2.347 12.053 6.954 1.00 0.00 H new ATOM 0 HA GLU A 108 1.706 9.215 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.949 10.476 8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.339 10.932 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.650 8.543 9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.237 8.068 8.531 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.699 9.538 5.995 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.072 9.739 5.540 1.00 0.00 C ATOM 1627 C LEU A 109 -3.064 9.052 6.491 1.00 0.00 C ATOM 1628 O LEU A 109 -3.652 8.022 6.143 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.211 9.256 4.084 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.516 9.769 3.445 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.327 11.143 2.793 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.028 8.807 2.388 1.00 0.00 C ATOM 0 H LEU A 109 -0.235 8.749 5.546 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.314 10.802 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.358 9.602 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.194 8.166 4.057 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.241 9.849 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.269 11.470 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.009 11.863 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.568 11.075 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.950 9.198 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.279 8.695 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.224 7.836 2.844 1.00 0.00 H new