USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 8 MET CE :methyl 166:sc= -0.388 (180deg=-0.897) USER MOD Single : A 9 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.13) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= -0.473 (180deg=-1.95!) USER MOD Single : A 20 CYS SG : rot 23:sc= -2.99! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= -3.85! (180deg=-5.79!) USER MOD Single : A 38 SER OG : rot 73:sc= 0.563 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0551) USER MOD Single : A 42 ASN : amide:sc= 0.93 K(o=0.93,f=-0.25) USER MOD Single : A 47 GLN : amide:sc= -5.99! C(o=-6!,f=-5.6!) USER MOD Single : A 48 GLN : amide:sc= -0.315 K(o=-0.31,f=-1.7) USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 0.715 (180deg=0.634) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 70:sc= 0.51 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 72 SER OG : rot 111:sc= -0.0303 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.265 -14.376 3.674 1.00 0.00 N ATOM 60 CA GLY A 7 5.688 -13.063 3.901 1.00 0.00 C ATOM 61 C GLY A 7 6.732 -11.965 3.908 1.00 0.00 C ATOM 62 O GLY A 7 7.904 -12.214 4.190 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.951 -12.854 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.158 -13.062 4.853 1.00 0.00 H new ATOM 66 N MET A 8 6.308 -10.745 3.594 1.00 0.00 N ATOM 67 CA MET A 8 7.215 -9.604 3.565 1.00 0.00 C ATOM 68 C MET A 8 6.650 -8.438 4.370 1.00 0.00 C ATOM 69 O MET A 8 5.505 -8.481 4.819 1.00 0.00 O ATOM 70 CB MET A 8 7.472 -9.166 2.122 1.00 0.00 C ATOM 71 CG MET A 8 6.222 -8.684 1.402 1.00 0.00 C ATOM 72 SD MET A 8 6.598 -7.775 -0.109 1.00 0.00 S ATOM 73 CE MET A 8 4.963 -7.220 -0.586 1.00 0.00 C ATOM 0 H MET A 8 5.342 -10.521 3.356 1.00 0.00 H new ATOM 0 HA MET A 8 8.158 -9.911 4.018 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.214 -8.367 2.120 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.901 -10.001 1.568 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.594 -9.541 1.159 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.645 -8.046 2.071 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.050 -6.447 -1.350 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.395 -8.061 -0.983 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.448 -6.814 0.285 1.00 0.00 H new ATOM 83 N GLN A 9 7.460 -7.400 4.548 1.00 0.00 N ATOM 84 CA GLN A 9 7.039 -6.224 5.301 1.00 0.00 C ATOM 85 C GLN A 9 7.065 -4.978 4.422 1.00 0.00 C ATOM 86 O GLN A 9 8.036 -4.731 3.705 1.00 0.00 O ATOM 87 CB GLN A 9 7.941 -6.022 6.519 1.00 0.00 C ATOM 88 CG GLN A 9 7.379 -5.043 7.537 1.00 0.00 C ATOM 89 CD GLN A 9 8.441 -4.498 8.471 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.353 -5.217 8.879 1.00 0.00 O ATOM 91 NE2 GLN A 9 8.328 -3.220 8.816 1.00 0.00 N ATOM 0 H GLN A 9 8.411 -7.349 4.182 1.00 0.00 H new ATOM 0 HA GLN A 9 6.016 -6.387 5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.103 -6.985 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.915 -5.666 6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.901 -4.215 7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.605 -5.539 8.123 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.556 -2.660 8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.013 -2.798 9.443 1.00 0.00 H new ATOM 100 N LEU A 10 5.993 -4.195 4.482 1.00 0.00 N ATOM 101 CA LEU A 10 5.893 -2.973 3.691 1.00 0.00 C ATOM 102 C LEU A 10 5.666 -1.761 4.588 1.00 0.00 C ATOM 103 O LEU A 10 4.964 -1.843 5.597 1.00 0.00 O ATOM 104 CB LEU A 10 4.754 -3.092 2.676 1.00 0.00 C ATOM 105 CG LEU A 10 4.993 -4.048 1.507 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.910 -3.885 0.453 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.370 -3.816 0.901 1.00 0.00 C ATOM 0 H LEU A 10 5.181 -4.384 5.070 1.00 0.00 H new ATOM 0 HA LEU A 10 6.834 -2.836 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.856 -3.413 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.549 -2.101 2.272 1.00 0.00 H new ATOM 0 HG LEU A 10 4.952 -5.070 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.097 -4.574 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.937 -4.103 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.918 -2.861 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.523 -4.505 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.440 -2.790 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.135 -3.986 1.659 1.00 0.00 H new ATOM 119 N THR A 11 6.263 -0.634 4.213 1.00 0.00 N ATOM 120 CA THR A 11 6.125 0.596 4.983 1.00 0.00 C ATOM 121 C THR A 11 5.517 1.709 4.137 1.00 0.00 C ATOM 122 O THR A 11 6.164 2.241 3.234 1.00 0.00 O ATOM 123 CB THR A 11 7.483 1.070 5.533 1.00 0.00 C ATOM 124 OG1 THR A 11 8.268 -0.058 5.936 1.00 0.00 O ATOM 125 CG2 THR A 11 7.291 2.008 6.715 1.00 0.00 C ATOM 0 H THR A 11 6.847 -0.548 3.381 1.00 0.00 H new ATOM 0 HA THR A 11 5.461 0.373 5.818 1.00 0.00 H new ATOM 0 HB THR A 11 8.002 1.610 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.131 0.251 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.264 2.329 7.086 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.717 2.879 6.399 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.754 1.488 7.508 1.00 0.00 H new ATOM 133 N VAL A 12 4.269 2.058 4.434 1.00 0.00 N ATOM 134 CA VAL A 12 3.574 3.109 3.701 1.00 0.00 C ATOM 135 C VAL A 12 3.822 4.475 4.332 1.00 0.00 C ATOM 136 O VAL A 12 3.437 4.722 5.475 1.00 0.00 O ATOM 137 CB VAL A 12 2.057 2.848 3.648 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.331 4.038 3.041 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.763 1.577 2.866 1.00 0.00 C ATOM 0 H VAL A 12 3.719 1.628 5.177 1.00 0.00 H new ATOM 0 HA VAL A 12 3.972 3.103 2.686 1.00 0.00 H new ATOM 0 HB VAL A 12 1.693 2.713 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.260 3.835 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.516 4.925 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.696 4.209 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.687 1.408 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.140 1.680 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.251 0.731 3.350 1.00 0.00 H new ATOM 149 N LYS A 13 4.467 5.360 3.580 1.00 0.00 N ATOM 150 CA LYS A 13 4.766 6.703 4.064 1.00 0.00 C ATOM 151 C LYS A 13 3.954 7.747 3.304 1.00 0.00 C ATOM 152 O LYS A 13 3.995 7.806 2.076 1.00 0.00 O ATOM 153 CB LYS A 13 6.260 6.998 3.919 1.00 0.00 C ATOM 154 CG LYS A 13 6.779 8.016 4.920 1.00 0.00 C ATOM 155 CD LYS A 13 8.098 8.620 4.469 1.00 0.00 C ATOM 156 CE LYS A 13 7.884 9.738 3.460 1.00 0.00 C ATOM 157 NZ LYS A 13 7.872 9.227 2.061 1.00 0.00 N ATOM 0 H LYS A 13 4.793 5.172 2.632 1.00 0.00 H new ATOM 0 HA LYS A 13 4.493 6.753 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.818 6.069 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.454 7.362 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.041 8.808 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.910 7.539 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.636 9.007 5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.722 7.844 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.941 10.242 3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.674 10.481 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.337 9.916 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.382 8.322 2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.889 9.086 1.751 1.00 0.00 H new ATOM 171 N ALA A 14 3.220 8.572 4.044 1.00 0.00 N ATOM 172 CA ALA A 14 2.402 9.616 3.440 1.00 0.00 C ATOM 173 C ALA A 14 3.151 10.944 3.397 1.00 0.00 C ATOM 174 O ALA A 14 4.001 11.217 4.246 1.00 0.00 O ATOM 175 CB ALA A 14 1.095 9.771 4.203 1.00 0.00 C ATOM 0 H ALA A 14 3.175 8.537 5.062 1.00 0.00 H new ATOM 0 HA ALA A 14 2.179 9.320 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.494 10.554 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.545 8.830 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.307 10.040 5.238 1.00 0.00 H new ATOM 224 N ARG A 18 2.563 11.125 8.151 1.00 0.00 N ATOM 225 CA ARG A 18 1.991 9.923 8.744 1.00 0.00 C ATOM 226 C ARG A 18 2.367 8.685 7.934 1.00 0.00 C ATOM 227 O ARG A 18 2.207 8.659 6.714 1.00 0.00 O ATOM 228 CB ARG A 18 0.469 10.046 8.830 1.00 0.00 C ATOM 229 CG ARG A 18 -0.019 10.688 10.119 1.00 0.00 C ATOM 230 CD ARG A 18 -1.447 10.278 10.440 1.00 0.00 C ATOM 231 NE ARG A 18 -2.157 11.309 11.192 1.00 0.00 N ATOM 232 CZ ARG A 18 -3.251 11.075 11.908 1.00 0.00 C ATOM 233 NH1 ARG A 18 -3.758 9.852 11.970 1.00 0.00 N ATOM 234 NH2 ARG A 18 -3.840 12.066 12.565 1.00 0.00 N ATOM 0 HA ARG A 18 2.398 9.815 9.750 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.112 10.633 7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.027 9.054 8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.637 10.400 10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.038 11.773 10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.982 10.072 9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.438 9.352 11.015 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.793 12.261 11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.308 9.087 11.467 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.598 9.676 12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.453 13.009 12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.680 11.885 13.115 1.00 0.00 H new ATOM 248 N GLU A 19 2.867 7.663 8.621 1.00 0.00 N ATOM 249 CA GLU A 19 3.267 6.424 7.965 1.00 0.00 C ATOM 250 C GLU A 19 2.821 5.211 8.775 1.00 0.00 C ATOM 251 O GLU A 19 2.396 5.340 9.924 1.00 0.00 O ATOM 252 CB GLU A 19 4.784 6.391 7.769 1.00 0.00 C ATOM 253 CG GLU A 19 5.568 6.651 9.045 1.00 0.00 C ATOM 254 CD GLU A 19 7.068 6.593 8.829 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.614 5.473 8.761 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.695 7.669 8.729 1.00 0.00 O ATOM 0 H GLU A 19 3.005 7.669 9.632 1.00 0.00 H new ATOM 0 HA GLU A 19 2.781 6.386 6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.069 5.418 7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.062 7.136 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.299 7.631 9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.284 5.916 9.798 1.00 0.00 H new ATOM 263 N CYS A 20 2.920 4.033 8.169 1.00 0.00 N ATOM 264 CA CYS A 20 2.526 2.796 8.833 1.00 0.00 C ATOM 265 C CYS A 20 2.974 1.580 8.029 1.00 0.00 C ATOM 266 O CYS A 20 2.805 1.532 6.810 1.00 0.00 O ATOM 267 CB CYS A 20 1.010 2.760 9.032 1.00 0.00 C ATOM 268 SG CYS A 20 0.065 2.706 7.492 1.00 0.00 S ATOM 0 H CYS A 20 3.270 3.909 7.219 1.00 0.00 H new ATOM 0 HA CYS A 20 3.014 2.765 9.807 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.754 1.888 9.634 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.708 3.640 9.601 1.00 0.00 H new ATOM 0 HG CYS A 20 0.814 2.236 6.539 1.00 0.00 H new ATOM 274 N SER A 21 3.549 0.600 8.718 1.00 0.00 N ATOM 275 CA SER A 21 4.027 -0.614 8.067 1.00 0.00 C ATOM 276 C SER A 21 3.183 -1.818 8.474 1.00 0.00 C ATOM 277 O SER A 21 2.502 -1.795 9.500 1.00 0.00 O ATOM 278 CB SER A 21 5.495 -0.864 8.421 1.00 0.00 C ATOM 279 OG SER A 21 5.664 -1.016 9.819 1.00 0.00 O ATOM 0 H SER A 21 3.695 0.623 9.727 1.00 0.00 H new ATOM 0 HA SER A 21 3.938 -0.477 6.989 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.848 -1.759 7.909 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.104 -0.033 8.066 1.00 0.00 H new ATOM 0 HG SER A 21 6.610 -1.176 10.019 1.00 0.00 H new ATOM 285 N LEU A 22 3.232 -2.869 7.662 1.00 0.00 N ATOM 286 CA LEU A 22 2.472 -4.083 7.936 1.00 0.00 C ATOM 287 C LEU A 22 3.163 -5.304 7.338 1.00 0.00 C ATOM 288 O LEU A 22 4.174 -5.180 6.648 1.00 0.00 O ATOM 289 CB LEU A 22 1.055 -3.959 7.375 1.00 0.00 C ATOM 290 CG LEU A 22 0.214 -2.807 7.926 1.00 0.00 C ATOM 291 CD1 LEU A 22 0.478 -1.531 7.141 1.00 0.00 C ATOM 292 CD2 LEU A 22 -1.266 -3.161 7.889 1.00 0.00 C ATOM 0 H LEU A 22 3.790 -2.904 6.809 1.00 0.00 H new ATOM 0 HA LEU A 22 2.418 -4.212 9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.123 -3.848 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.527 -4.893 7.567 1.00 0.00 H new ATOM 0 HG LEU A 22 0.501 -2.637 8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.129 -0.722 7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.533 -1.268 7.219 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.220 -1.688 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.849 -2.329 8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.567 -3.358 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.443 -4.049 8.495 1.00 0.00 H new ATOM 304 N GLN A 23 2.609 -6.482 7.606 1.00 0.00 N ATOM 305 CA GLN A 23 3.171 -7.726 7.092 1.00 0.00 C ATOM 306 C GLN A 23 2.223 -8.380 6.093 1.00 0.00 C ATOM 307 O GLN A 23 1.083 -8.704 6.424 1.00 0.00 O ATOM 308 CB GLN A 23 3.465 -8.691 8.242 1.00 0.00 C ATOM 309 CG GLN A 23 2.229 -9.086 9.035 1.00 0.00 C ATOM 310 CD GLN A 23 2.553 -9.989 10.208 1.00 0.00 C ATOM 311 OE1 GLN A 23 2.624 -11.210 10.066 1.00 0.00 O ATOM 312 NE2 GLN A 23 2.752 -9.392 11.378 1.00 0.00 N ATOM 0 H GLN A 23 1.772 -6.601 8.176 1.00 0.00 H new ATOM 0 HA GLN A 23 4.103 -7.489 6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.932 -9.590 7.840 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.187 -8.231 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.733 -8.186 9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.525 -9.593 8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.683 -8.377 11.451 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.973 -9.949 12.203 1.00 0.00 H new ATOM 321 N VAL A 24 2.703 -8.571 4.868 1.00 0.00 N ATOM 322 CA VAL A 24 1.898 -9.187 3.819 1.00 0.00 C ATOM 323 C VAL A 24 2.776 -9.930 2.819 1.00 0.00 C ATOM 324 O VAL A 24 3.943 -9.597 2.611 1.00 0.00 O ATOM 325 CB VAL A 24 1.057 -8.139 3.068 1.00 0.00 C ATOM 326 CG1 VAL A 24 0.012 -7.532 3.991 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.952 -7.059 2.480 1.00 0.00 C ATOM 0 H VAL A 24 3.645 -8.308 4.578 1.00 0.00 H new ATOM 0 HA VAL A 24 1.229 -9.895 4.308 1.00 0.00 H new ATOM 0 HB VAL A 24 0.539 -8.635 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.573 -6.793 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.648 -8.317 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.507 -7.050 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.340 -6.327 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.500 -6.564 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.658 -7.511 1.783 1.00 0.00 H new ATOM 337 N PRO A 25 2.203 -10.963 2.182 1.00 0.00 N ATOM 338 CA PRO A 25 2.915 -11.775 1.190 1.00 0.00 C ATOM 339 C PRO A 25 3.192 -11.007 -0.098 1.00 0.00 C ATOM 340 O PRO A 25 2.848 -9.831 -0.215 1.00 0.00 O ATOM 341 CB PRO A 25 1.953 -12.935 0.925 1.00 0.00 C ATOM 342 CG PRO A 25 0.605 -12.393 1.256 1.00 0.00 C ATOM 343 CD PRO A 25 0.816 -11.416 2.380 1.00 0.00 C ATOM 0 HA PRO A 25 3.895 -12.089 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.004 -13.262 -0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.195 -13.799 1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.159 -11.902 0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.074 -13.191 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.111 -10.586 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.682 -11.888 3.353 1.00 0.00 H new ATOM 351 N GLU A 26 3.814 -11.679 -1.060 1.00 0.00 N ATOM 352 CA GLU A 26 4.137 -11.058 -2.340 1.00 0.00 C ATOM 353 C GLU A 26 2.971 -11.188 -3.317 1.00 0.00 C ATOM 354 O GLU A 26 2.738 -10.304 -4.142 1.00 0.00 O ATOM 355 CB GLU A 26 5.392 -11.695 -2.939 1.00 0.00 C ATOM 356 CG GLU A 26 6.512 -11.898 -1.932 1.00 0.00 C ATOM 357 CD GLU A 26 7.425 -10.692 -1.823 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.809 -10.141 -2.876 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.754 -10.299 -0.684 1.00 0.00 O ATOM 0 H GLU A 26 4.105 -12.653 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 26 4.325 -9.999 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.128 -12.659 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.755 -11.067 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.081 -12.113 -0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.100 -12.769 -2.219 1.00 0.00 H new ATOM 366 N ASP A 27 2.244 -12.295 -3.217 1.00 0.00 N ATOM 367 CA ASP A 27 1.103 -12.542 -4.090 1.00 0.00 C ATOM 368 C ASP A 27 -0.168 -11.931 -3.509 1.00 0.00 C ATOM 369 O ASP A 27 -1.276 -12.360 -3.829 1.00 0.00 O ATOM 370 CB ASP A 27 0.911 -14.044 -4.303 1.00 0.00 C ATOM 371 CG ASP A 27 0.004 -14.665 -3.259 1.00 0.00 C ATOM 372 OD1 ASP A 27 0.069 -14.238 -2.088 1.00 0.00 O ATOM 373 OD2 ASP A 27 -0.770 -15.579 -3.613 1.00 0.00 O ATOM 0 H ASP A 27 2.425 -13.036 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 27 1.305 -12.070 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.491 -14.217 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.882 -14.539 -4.277 1.00 0.00 H new ATOM 378 N GLU A 28 0.001 -10.929 -2.652 1.00 0.00 N ATOM 379 CA GLU A 28 -1.134 -10.262 -2.024 1.00 0.00 C ATOM 380 C GLU A 28 -1.831 -9.331 -3.012 1.00 0.00 C ATOM 381 O GLU A 28 -1.181 -8.635 -3.792 1.00 0.00 O ATOM 382 CB GLU A 28 -0.674 -9.471 -0.798 1.00 0.00 C ATOM 383 CG GLU A 28 -1.777 -9.228 0.218 1.00 0.00 C ATOM 384 CD GLU A 28 -1.991 -10.412 1.141 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.013 -11.556 0.643 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.136 -10.193 2.362 1.00 0.00 O ATOM 0 H GLU A 28 0.912 -10.561 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.844 -11.026 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.142 -10.008 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.274 -8.511 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.531 -8.348 0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.707 -9.008 -0.306 1.00 0.00 H new ATOM 393 N LEU A 29 -3.159 -9.324 -2.972 1.00 0.00 N ATOM 394 CA LEU A 29 -3.947 -8.479 -3.863 1.00 0.00 C ATOM 395 C LEU A 29 -3.894 -7.021 -3.419 1.00 0.00 C ATOM 396 O LEU A 29 -4.051 -6.714 -2.237 1.00 0.00 O ATOM 397 CB LEU A 29 -5.399 -8.959 -3.902 1.00 0.00 C ATOM 398 CG LEU A 29 -5.603 -10.471 -4.006 1.00 0.00 C ATOM 399 CD1 LEU A 29 -7.062 -10.830 -3.775 1.00 0.00 C ATOM 400 CD2 LEU A 29 -5.135 -10.980 -5.362 1.00 0.00 C ATOM 0 H LEU A 29 -3.713 -9.894 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.520 -8.551 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.902 -8.606 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.894 -8.486 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.005 -10.953 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.188 -11.910 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.365 -10.500 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.681 -10.338 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.288 -12.058 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.706 -10.491 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.076 -10.756 -5.489 1.00 0.00 H new ATOM 412 N VAL A 30 -3.672 -6.124 -4.375 1.00 0.00 N ATOM 413 CA VAL A 30 -3.602 -4.697 -4.083 1.00 0.00 C ATOM 414 C VAL A 30 -4.852 -4.224 -3.349 1.00 0.00 C ATOM 415 O VAL A 30 -4.807 -3.262 -2.582 1.00 0.00 O ATOM 416 CB VAL A 30 -3.431 -3.869 -5.371 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.336 -2.386 -5.043 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.205 -4.332 -6.143 1.00 0.00 C ATOM 0 H VAL A 30 -3.538 -6.360 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.731 -4.546 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.308 -4.023 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.216 -1.817 -5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.246 -2.067 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.478 -2.211 -4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.100 -3.736 -7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.317 -4.209 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.319 -5.383 -6.410 1.00 0.00 H new ATOM 428 N SER A 31 -5.966 -4.906 -3.590 1.00 0.00 N ATOM 429 CA SER A 31 -7.231 -4.554 -2.954 1.00 0.00 C ATOM 430 C SER A 31 -7.156 -4.762 -1.445 1.00 0.00 C ATOM 431 O SER A 31 -7.622 -3.929 -0.667 1.00 0.00 O ATOM 432 CB SER A 31 -8.371 -5.389 -3.541 1.00 0.00 C ATOM 433 OG SER A 31 -9.632 -4.833 -3.210 1.00 0.00 O ATOM 0 H SER A 31 -6.019 -5.706 -4.221 1.00 0.00 H new ATOM 0 HA SER A 31 -7.427 -3.499 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.267 -5.442 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.310 -6.410 -3.164 1.00 0.00 H new ATOM 0 HG SER A 31 -10.344 -5.384 -3.597 1.00 0.00 H new ATOM 439 N THR A 32 -6.567 -5.882 -1.037 1.00 0.00 N ATOM 440 CA THR A 32 -6.432 -6.202 0.379 1.00 0.00 C ATOM 441 C THR A 32 -5.273 -5.438 1.008 1.00 0.00 C ATOM 442 O THR A 32 -5.341 -5.031 2.168 1.00 0.00 O ATOM 443 CB THR A 32 -6.214 -7.712 0.595 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.264 -8.454 -0.037 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.173 -8.046 2.078 1.00 0.00 C ATOM 0 H THR A 32 -6.176 -6.582 -1.667 1.00 0.00 H new ATOM 0 HA THR A 32 -7.363 -5.904 0.860 1.00 0.00 H new ATOM 0 HB THR A 32 -5.257 -7.986 0.150 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.117 -9.413 0.103 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.018 -9.117 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.355 -7.502 2.551 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.116 -7.758 2.542 1.00 0.00 H new ATOM 453 N LEU A 33 -4.209 -5.246 0.235 1.00 0.00 N ATOM 454 CA LEU A 33 -3.034 -4.529 0.717 1.00 0.00 C ATOM 455 C LEU A 33 -3.403 -3.119 1.168 1.00 0.00 C ATOM 456 O LEU A 33 -2.787 -2.566 2.080 1.00 0.00 O ATOM 457 CB LEU A 33 -1.968 -4.463 -0.379 1.00 0.00 C ATOM 458 CG LEU A 33 -1.172 -5.747 -0.619 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.712 -5.827 -2.066 1.00 0.00 C ATOM 460 CD2 LEU A 33 0.018 -5.821 0.327 1.00 0.00 C ATOM 0 H LEU A 33 -4.136 -5.577 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.634 -5.071 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.453 -4.180 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.267 -3.666 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.823 -6.598 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.147 -6.747 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.580 -5.821 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.078 -4.970 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.573 -6.741 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.670 -4.964 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.336 -5.811 1.358 1.00 0.00 H new ATOM 472 N LYS A 34 -4.413 -2.543 0.525 1.00 0.00 N ATOM 473 CA LYS A 34 -4.867 -1.199 0.861 1.00 0.00 C ATOM 474 C LYS A 34 -5.813 -1.228 2.058 1.00 0.00 C ATOM 475 O LYS A 34 -5.629 -0.487 3.023 1.00 0.00 O ATOM 476 CB LYS A 34 -5.568 -0.560 -0.340 1.00 0.00 C ATOM 477 CG LYS A 34 -4.629 -0.231 -1.487 1.00 0.00 C ATOM 478 CD LYS A 34 -5.371 -0.153 -2.811 1.00 0.00 C ATOM 479 CE LYS A 34 -4.595 0.656 -3.839 1.00 0.00 C ATOM 480 NZ LYS A 34 -3.124 0.546 -3.635 1.00 0.00 N ATOM 0 H LYS A 34 -4.933 -2.986 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.993 -0.603 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.344 -1.236 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.066 0.354 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.133 0.719 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.850 -0.991 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.542 -1.159 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.350 0.300 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.850 0.310 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.893 1.703 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.633 0.760 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.823 1.221 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.887 -0.420 -3.332 1.00 0.00 H new ATOM 494 N GLN A 35 -6.823 -2.089 1.988 1.00 0.00 N ATOM 495 CA GLN A 35 -7.796 -2.215 3.066 1.00 0.00 C ATOM 496 C GLN A 35 -7.100 -2.286 4.422 1.00 0.00 C ATOM 497 O GLN A 35 -7.588 -1.740 5.412 1.00 0.00 O ATOM 498 CB GLN A 35 -8.662 -3.458 2.858 1.00 0.00 C ATOM 499 CG GLN A 35 -9.664 -3.318 1.724 1.00 0.00 C ATOM 500 CD GLN A 35 -10.408 -4.608 1.439 1.00 0.00 C ATOM 501 OE1 GLN A 35 -10.882 -5.280 2.356 1.00 0.00 O ATOM 502 NE2 GLN A 35 -10.514 -4.962 0.164 1.00 0.00 N ATOM 0 H GLN A 35 -6.989 -2.710 1.196 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.433 -1.331 3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.015 -4.312 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.199 -3.675 3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.382 -2.537 1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.143 -2.997 0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.106 -4.375 -0.564 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.003 -5.821 -0.088 1.00 0.00 H new ATOM 511 N LEU A 36 -5.958 -2.964 4.459 1.00 0.00 N ATOM 512 CA LEU A 36 -5.194 -3.108 5.694 1.00 0.00 C ATOM 513 C LEU A 36 -4.785 -1.745 6.243 1.00 0.00 C ATOM 514 O LEU A 36 -5.086 -1.410 7.389 1.00 0.00 O ATOM 515 CB LEU A 36 -3.951 -3.966 5.450 1.00 0.00 C ATOM 516 CG LEU A 36 -4.205 -5.396 4.974 1.00 0.00 C ATOM 517 CD1 LEU A 36 -3.024 -5.907 4.164 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.479 -6.312 6.158 1.00 0.00 C ATOM 0 H LEU A 36 -5.541 -3.422 3.649 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.829 -3.600 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.327 -3.464 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.377 -4.009 6.375 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.085 -5.393 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.223 -6.927 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.875 -5.267 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.126 -5.895 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.658 -7.326 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.618 -6.310 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.358 -5.957 6.697 1.00 0.00 H new ATOM 530 N VAL A 37 -4.100 -0.960 5.417 1.00 0.00 N ATOM 531 CA VAL A 37 -3.653 0.368 5.819 1.00 0.00 C ATOM 532 C VAL A 37 -4.831 1.240 6.240 1.00 0.00 C ATOM 533 O VAL A 37 -4.729 2.026 7.182 1.00 0.00 O ATOM 534 CB VAL A 37 -2.890 1.071 4.681 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.385 2.432 5.138 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.739 0.202 4.196 1.00 0.00 C ATOM 0 H VAL A 37 -3.843 -1.221 4.465 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.982 0.233 6.668 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.576 1.225 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.848 2.914 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.230 3.053 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.714 2.305 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.210 0.714 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.051 0.015 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.129 -0.747 3.827 1.00 0.00 H new ATOM 546 N SER A 38 -5.950 1.094 5.537 1.00 0.00 N ATOM 547 CA SER A 38 -7.147 1.871 5.836 1.00 0.00 C ATOM 548 C SER A 38 -7.491 1.790 7.320 1.00 0.00 C ATOM 549 O SER A 38 -7.787 2.801 7.955 1.00 0.00 O ATOM 550 CB SER A 38 -8.327 1.371 5.000 1.00 0.00 C ATOM 551 OG SER A 38 -9.554 1.574 5.678 1.00 0.00 O ATOM 0 H SER A 38 -6.052 0.445 4.757 1.00 0.00 H new ATOM 0 HA SER A 38 -6.947 2.912 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.346 1.893 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.199 0.311 4.782 1.00 0.00 H new ATOM 0 HG SER A 38 -9.777 2.528 5.672 1.00 0.00 H new ATOM 557 N GLU A 39 -7.448 0.579 7.866 1.00 0.00 N ATOM 558 CA GLU A 39 -7.756 0.365 9.275 1.00 0.00 C ATOM 559 C GLU A 39 -6.692 1.000 10.167 1.00 0.00 C ATOM 560 O GLU A 39 -6.988 1.480 11.261 1.00 0.00 O ATOM 561 CB GLU A 39 -7.862 -1.131 9.576 1.00 0.00 C ATOM 562 CG GLU A 39 -9.087 -1.790 8.964 1.00 0.00 C ATOM 563 CD GLU A 39 -8.936 -3.293 8.831 1.00 0.00 C ATOM 564 OE1 GLU A 39 -8.018 -3.734 8.109 1.00 0.00 O ATOM 565 OE2 GLU A 39 -9.736 -4.027 9.447 1.00 0.00 O ATOM 0 H GLU A 39 -7.203 -0.269 7.354 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.714 0.839 9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.967 -1.632 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.884 -1.275 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.959 -1.569 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.274 -1.359 7.980 1.00 0.00 H new ATOM 572 N LYS A 40 -5.451 0.997 9.691 1.00 0.00 N ATOM 573 CA LYS A 40 -4.342 1.572 10.442 1.00 0.00 C ATOM 574 C LYS A 40 -4.514 3.080 10.598 1.00 0.00 C ATOM 575 O LYS A 40 -4.719 3.581 11.704 1.00 0.00 O ATOM 576 CB LYS A 40 -3.015 1.270 9.743 1.00 0.00 C ATOM 577 CG LYS A 40 -2.392 -0.050 10.165 1.00 0.00 C ATOM 578 CD LYS A 40 -1.608 0.091 11.458 1.00 0.00 C ATOM 579 CE LYS A 40 -1.273 -1.266 12.059 1.00 0.00 C ATOM 580 NZ LYS A 40 -2.465 -1.905 12.684 1.00 0.00 N ATOM 0 H LYS A 40 -5.189 0.602 8.788 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.335 1.120 11.434 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.176 1.258 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.312 2.077 9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.174 -0.798 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.732 -0.410 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.687 0.643 11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.187 0.674 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.876 -1.919 11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.489 -1.148 12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.167 -2.741 13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.929 -1.226 13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.133 -2.195 11.941 1.00 0.00 H new ATOM 594 N LEU A 41 -4.431 3.798 9.484 1.00 0.00 N ATOM 595 CA LEU A 41 -4.580 5.250 9.496 1.00 0.00 C ATOM 596 C LEU A 41 -6.049 5.646 9.594 1.00 0.00 C ATOM 597 O LEU A 41 -6.378 6.826 9.703 1.00 0.00 O ATOM 598 CB LEU A 41 -3.959 5.857 8.237 1.00 0.00 C ATOM 599 CG LEU A 41 -2.462 5.613 8.042 1.00 0.00 C ATOM 600 CD1 LEU A 41 -2.050 5.930 6.613 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.654 6.444 9.029 1.00 0.00 C ATOM 0 H LEU A 41 -4.261 3.399 8.561 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.060 5.636 10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.487 5.462 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.132 6.933 8.253 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.258 4.559 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.982 5.750 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.604 5.292 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.269 6.975 6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.591 6.258 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.864 7.502 8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.928 6.168 10.047 1.00 0.00 H new ATOM 613 N ASN A 42 -6.929 4.650 9.556 1.00 0.00 N ATOM 614 CA ASN A 42 -8.364 4.895 9.642 1.00 0.00 C ATOM 615 C ASN A 42 -8.852 5.701 8.441 1.00 0.00 C ATOM 616 O ASN A 42 -9.679 6.602 8.579 1.00 0.00 O ATOM 617 CB ASN A 42 -8.700 5.636 10.938 1.00 0.00 C ATOM 618 CG ASN A 42 -10.118 5.372 11.404 1.00 0.00 C ATOM 619 OD1 ASN A 42 -10.341 4.628 12.359 1.00 0.00 O ATOM 620 ND2 ASN A 42 -11.086 5.983 10.730 1.00 0.00 N ATOM 0 H ASN A 42 -6.673 3.667 9.466 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.872 3.931 9.641 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.002 5.333 11.718 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.564 6.707 10.787 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.060 5.844 10.998 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.855 6.591 9.945 1.00 0.00 H new ATOM 627 N VAL A 43 -8.333 5.370 7.263 1.00 0.00 N ATOM 628 CA VAL A 43 -8.716 6.061 6.038 1.00 0.00 C ATOM 629 C VAL A 43 -9.268 5.084 5.006 1.00 0.00 C ATOM 630 O VAL A 43 -8.754 3.980 4.822 1.00 0.00 O ATOM 631 CB VAL A 43 -7.523 6.819 5.425 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.920 7.460 4.104 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.999 7.863 6.398 1.00 0.00 C ATOM 0 H VAL A 43 -7.646 4.628 7.131 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.492 6.777 6.308 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.723 6.105 5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.065 7.991 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.243 6.687 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.737 8.162 4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.157 8.389 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.791 8.576 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.673 7.374 7.316 1.00 0.00 H new ATOM 643 N PRO A 44 -10.340 5.497 4.314 1.00 0.00 N ATOM 644 CA PRO A 44 -10.986 4.674 3.287 1.00 0.00 C ATOM 645 C PRO A 44 -10.121 4.518 2.041 1.00 0.00 C ATOM 646 O PRO A 44 -9.584 5.495 1.519 1.00 0.00 O ATOM 647 CB PRO A 44 -12.262 5.453 2.958 1.00 0.00 C ATOM 648 CG PRO A 44 -11.944 6.865 3.308 1.00 0.00 C ATOM 649 CD PRO A 44 -11.005 6.800 4.481 1.00 0.00 C ATOM 0 HA PRO A 44 -11.169 3.657 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.525 5.356 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.111 5.084 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.482 7.381 2.466 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.849 7.417 3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.289 7.621 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.541 6.859 5.428 1.00 0.00 H new ATOM 657 N VAL A 45 -9.989 3.282 1.568 1.00 0.00 N ATOM 658 CA VAL A 45 -9.190 2.999 0.382 1.00 0.00 C ATOM 659 C VAL A 45 -9.620 3.871 -0.791 1.00 0.00 C ATOM 660 O VAL A 45 -8.817 4.192 -1.667 1.00 0.00 O ATOM 661 CB VAL A 45 -9.299 1.517 -0.026 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.225 1.164 -1.044 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.202 0.619 1.197 1.00 0.00 C ATOM 0 H VAL A 45 -10.425 2.461 1.988 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.154 3.223 0.636 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.272 1.356 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.317 0.114 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.347 1.785 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.241 1.340 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.281 -0.424 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.244 0.780 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.011 0.856 1.888 1.00 0.00 H new ATOM 673 N ARG A 46 -10.893 4.253 -0.803 1.00 0.00 N ATOM 674 CA ARG A 46 -11.431 5.088 -1.870 1.00 0.00 C ATOM 675 C ARG A 46 -10.657 6.399 -1.976 1.00 0.00 C ATOM 676 O ARG A 46 -10.653 7.045 -3.024 1.00 0.00 O ATOM 677 CB ARG A 46 -12.913 5.378 -1.622 1.00 0.00 C ATOM 678 CG ARG A 46 -13.826 4.209 -1.958 1.00 0.00 C ATOM 679 CD ARG A 46 -15.221 4.683 -2.333 1.00 0.00 C ATOM 680 NE ARG A 46 -16.161 3.572 -2.456 1.00 0.00 N ATOM 681 CZ ARG A 46 -16.156 2.713 -3.469 1.00 0.00 C ATOM 682 NH1 ARG A 46 -15.264 2.837 -4.442 1.00 0.00 N ATOM 683 NH2 ARG A 46 -17.044 1.728 -3.510 1.00 0.00 N ATOM 0 H ARG A 46 -11.571 3.997 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.326 4.546 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.052 5.647 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.210 6.243 -2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.400 3.639 -2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.887 3.536 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.582 5.381 -1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.178 5.228 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.860 3.449 -1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.580 3.593 -4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.262 2.176 -5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.732 1.630 -2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.039 1.069 -4.289 1.00 0.00 H new ATOM 697 N GLN A 47 -10.003 6.785 -0.885 1.00 0.00 N ATOM 698 CA GLN A 47 -9.227 8.019 -0.857 1.00 0.00 C ATOM 699 C GLN A 47 -7.736 7.727 -0.994 1.00 0.00 C ATOM 700 O GLN A 47 -7.145 7.955 -2.049 1.00 0.00 O ATOM 701 CB GLN A 47 -9.492 8.783 0.442 1.00 0.00 C ATOM 702 CG GLN A 47 -8.320 9.639 0.893 1.00 0.00 C ATOM 703 CD GLN A 47 -8.752 10.815 1.747 1.00 0.00 C ATOM 704 OE1 GLN A 47 -8.494 10.851 2.951 1.00 0.00 O ATOM 705 NE2 GLN A 47 -9.413 11.786 1.128 1.00 0.00 N ATOM 0 H GLN A 47 -9.995 6.261 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.538 8.634 -1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.366 9.420 0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.735 8.070 1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.620 9.022 1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.786 10.007 0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.605 11.715 0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.728 12.603 1.652 1.00 0.00 H new ATOM 714 N GLN A 48 -7.136 7.223 0.079 1.00 0.00 N ATOM 715 CA GLN A 48 -5.713 6.902 0.078 1.00 0.00 C ATOM 716 C GLN A 48 -5.336 6.109 -1.168 1.00 0.00 C ATOM 717 O GLN A 48 -6.102 5.265 -1.635 1.00 0.00 O ATOM 718 CB GLN A 48 -5.347 6.108 1.333 1.00 0.00 C ATOM 719 CG GLN A 48 -5.892 4.689 1.336 1.00 0.00 C ATOM 720 CD GLN A 48 -5.446 3.895 2.548 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.739 4.409 3.416 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.858 2.635 2.615 1.00 0.00 N ATOM 0 H GLN A 48 -7.612 7.028 0.960 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.154 7.838 0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.262 6.072 1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.724 6.635 2.209 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.981 4.722 1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.566 4.177 0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.443 2.250 1.873 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.590 2.052 3.408 1.00 0.00 H new ATOM 731 N ARG A 49 -4.151 6.385 -1.703 1.00 0.00 N ATOM 732 CA ARG A 49 -3.672 5.697 -2.896 1.00 0.00 C ATOM 733 C ARG A 49 -2.196 5.336 -2.760 1.00 0.00 C ATOM 734 O ARG A 49 -1.386 6.146 -2.307 1.00 0.00 O ATOM 735 CB ARG A 49 -3.882 6.572 -4.134 1.00 0.00 C ATOM 736 CG ARG A 49 -3.484 5.894 -5.434 1.00 0.00 C ATOM 737 CD ARG A 49 -3.939 6.696 -6.643 1.00 0.00 C ATOM 738 NE ARG A 49 -5.359 6.503 -6.926 1.00 0.00 N ATOM 739 CZ ARG A 49 -5.912 6.744 -8.109 1.00 0.00 C ATOM 740 NH1 ARG A 49 -5.169 7.186 -9.114 1.00 0.00 N ATOM 741 NH2 ARG A 49 -7.211 6.544 -8.289 1.00 0.00 N ATOM 0 H ARG A 49 -3.505 7.080 -1.329 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.245 4.776 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.932 6.860 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.305 7.490 -4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.401 5.770 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.920 4.896 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.745 7.754 -6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.353 6.403 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.959 6.165 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.170 7.342 -8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.596 7.370 -10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.786 6.205 -7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.634 6.730 -9.198 1.00 0.00 H new ATOM 755 N LEU A 50 -1.853 4.115 -3.156 1.00 0.00 N ATOM 756 CA LEU A 50 -0.474 3.645 -3.078 1.00 0.00 C ATOM 757 C LEU A 50 0.285 3.970 -4.360 1.00 0.00 C ATOM 758 O LEU A 50 -0.299 4.025 -5.443 1.00 0.00 O ATOM 759 CB LEU A 50 -0.442 2.137 -2.821 1.00 0.00 C ATOM 760 CG LEU A 50 -0.826 1.689 -1.410 1.00 0.00 C ATOM 761 CD1 LEU A 50 -0.888 0.171 -1.331 1.00 0.00 C ATOM 762 CD2 LEU A 50 0.160 2.238 -0.389 1.00 0.00 C ATOM 0 H LEU A 50 -2.510 3.433 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 50 0.013 4.159 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.114 1.653 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.563 1.773 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.815 2.086 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.163 -0.130 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.633 -0.200 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.087 -0.247 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.129 1.909 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.161 1.871 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.155 3.327 -0.428 1.00 0.00 H new ATOM 774 N LEU A 51 1.590 4.181 -4.232 1.00 0.00 N ATOM 775 CA LEU A 51 2.431 4.498 -5.381 1.00 0.00 C ATOM 776 C LEU A 51 3.790 3.816 -5.266 1.00 0.00 C ATOM 777 O LEU A 51 4.359 3.720 -4.178 1.00 0.00 O ATOM 778 CB LEU A 51 2.617 6.012 -5.500 1.00 0.00 C ATOM 779 CG LEU A 51 1.495 6.772 -6.208 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.582 8.259 -5.902 1.00 0.00 C ATOM 781 CD2 LEU A 51 1.553 6.531 -7.710 1.00 0.00 C ATOM 0 H LEU A 51 2.089 4.138 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 51 1.933 4.127 -6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.731 6.424 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.549 6.203 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 51 0.540 6.401 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.776 8.784 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.491 8.415 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.542 8.645 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.747 7.079 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.512 6.875 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.441 5.466 -7.912 1.00 0.00 H new ATOM 793 N PHE A 52 4.307 3.344 -6.396 1.00 0.00 N ATOM 794 CA PHE A 52 5.600 2.671 -6.423 1.00 0.00 C ATOM 795 C PHE A 52 6.494 3.253 -7.514 1.00 0.00 C ATOM 796 O PHE A 52 6.259 3.042 -8.704 1.00 0.00 O ATOM 797 CB PHE A 52 5.413 1.169 -6.649 1.00 0.00 C ATOM 798 CG PHE A 52 6.666 0.370 -6.434 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.240 0.282 -5.175 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.270 -0.294 -7.489 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.393 -0.453 -4.975 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.424 -1.031 -7.294 1.00 0.00 C ATOM 803 CZ PHE A 52 8.985 -1.111 -6.035 1.00 0.00 C ATOM 0 H PHE A 52 3.850 3.415 -7.305 1.00 0.00 H new ATOM 0 HA PHE A 52 6.083 2.829 -5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.638 0.802 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.057 1.004 -7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.781 0.793 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.835 -0.236 -8.476 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.831 -0.513 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.886 -1.543 -8.125 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.885 -1.687 -5.879 1.00 0.00 H new ATOM 813 N LYS A 53 7.520 3.989 -7.099 1.00 0.00 N ATOM 814 CA LYS A 53 8.451 4.603 -8.039 1.00 0.00 C ATOM 815 C LYS A 53 7.709 5.461 -9.058 1.00 0.00 C ATOM 816 O LYS A 53 8.142 5.599 -10.201 1.00 0.00 O ATOM 817 CB LYS A 53 9.265 3.525 -8.760 1.00 0.00 C ATOM 818 CG LYS A 53 10.329 2.882 -7.888 1.00 0.00 C ATOM 819 CD LYS A 53 10.774 1.542 -8.449 1.00 0.00 C ATOM 820 CE LYS A 53 12.004 1.016 -7.726 1.00 0.00 C ATOM 821 NZ LYS A 53 11.740 0.781 -6.280 1.00 0.00 N ATOM 0 H LYS A 53 7.728 4.175 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 53 9.128 5.244 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.588 2.752 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.742 3.966 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.188 3.548 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.940 2.744 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.962 0.821 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.992 1.646 -9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.329 0.085 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.821 1.729 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.556 0.298 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.588 1.692 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.892 0.188 -6.174 1.00 0.00 H new ATOM 835 N GLY A 54 6.587 6.037 -8.635 1.00 0.00 N ATOM 836 CA GLY A 54 5.804 6.876 -9.523 1.00 0.00 C ATOM 837 C GLY A 54 4.842 6.075 -10.379 1.00 0.00 C ATOM 838 O GLY A 54 4.357 6.560 -11.401 1.00 0.00 O ATOM 0 H GLY A 54 6.207 5.937 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.243 7.601 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.475 7.442 -10.169 1.00 0.00 H new ATOM 842 N LYS A 55 4.566 4.844 -9.961 1.00 0.00 N ATOM 843 CA LYS A 55 3.656 3.973 -10.696 1.00 0.00 C ATOM 844 C LYS A 55 2.353 3.776 -9.928 1.00 0.00 C ATOM 845 O LYS A 55 2.364 3.445 -8.743 1.00 0.00 O ATOM 846 CB LYS A 55 4.316 2.617 -10.958 1.00 0.00 C ATOM 847 CG LYS A 55 3.829 1.939 -12.227 1.00 0.00 C ATOM 848 CD LYS A 55 4.909 1.066 -12.842 1.00 0.00 C ATOM 849 CE LYS A 55 5.200 -0.153 -11.979 1.00 0.00 C ATOM 850 NZ LYS A 55 6.606 -0.618 -12.132 1.00 0.00 N ATOM 0 H LYS A 55 4.959 4.427 -9.117 1.00 0.00 H new ATOM 0 HA LYS A 55 3.427 4.449 -11.649 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.396 2.754 -11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.126 1.960 -10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.953 1.331 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.517 2.695 -12.948 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.596 0.744 -13.835 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.821 1.649 -12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.009 0.088 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.519 -0.960 -12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.764 -1.450 -11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.781 -0.873 -13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.256 0.143 -11.850 1.00 0.00 H new ATOM 864 N ALA A 56 1.232 3.980 -10.612 1.00 0.00 N ATOM 865 CA ALA A 56 -0.079 3.822 -9.994 1.00 0.00 C ATOM 866 C ALA A 56 -0.485 2.353 -9.939 1.00 0.00 C ATOM 867 O ALA A 56 -0.531 1.672 -10.965 1.00 0.00 O ATOM 868 CB ALA A 56 -1.121 4.632 -10.752 1.00 0.00 C ATOM 0 H ALA A 56 1.205 4.255 -11.594 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.019 4.194 -8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.095 4.505 -10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.845 5.686 -10.736 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.170 4.286 -11.784 1.00 0.00 H new ATOM 874 N LEU A 57 -0.780 1.870 -8.737 1.00 0.00 N ATOM 875 CA LEU A 57 -1.182 0.481 -8.548 1.00 0.00 C ATOM 876 C LEU A 57 -2.682 0.313 -8.771 1.00 0.00 C ATOM 877 O LEU A 57 -3.489 1.054 -8.211 1.00 0.00 O ATOM 878 CB LEU A 57 -0.808 0.007 -7.143 1.00 0.00 C ATOM 879 CG LEU A 57 0.540 0.492 -6.608 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.902 -0.244 -5.327 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.627 0.307 -7.656 1.00 0.00 C ATOM 0 H LEU A 57 -0.748 2.420 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.653 -0.127 -9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.588 0.330 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.808 -1.083 -7.137 1.00 0.00 H new ATOM 0 HG LEU A 57 0.458 1.555 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.864 0.114 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.136 -0.061 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.965 -1.314 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.579 0.657 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.708 -0.749 -7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.374 0.880 -8.548 1.00 0.00 H new ATOM 893 N ALA A 58 -3.047 -0.667 -9.591 1.00 0.00 N ATOM 894 CA ALA A 58 -4.449 -0.935 -9.885 1.00 0.00 C ATOM 895 C ALA A 58 -5.015 -1.991 -8.942 1.00 0.00 C ATOM 896 O ALA A 58 -4.378 -3.013 -8.685 1.00 0.00 O ATOM 897 CB ALA A 58 -4.611 -1.375 -11.332 1.00 0.00 C ATOM 0 H ALA A 58 -2.391 -1.289 -10.064 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.009 -0.012 -9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.663 -1.572 -11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.254 -0.586 -11.994 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.032 -2.283 -11.503 1.00 0.00 H new ATOM 903 N ASP A 59 -6.214 -1.738 -8.429 1.00 0.00 N ATOM 904 CA ASP A 59 -6.866 -2.668 -7.515 1.00 0.00 C ATOM 905 C ASP A 59 -7.132 -4.006 -8.198 1.00 0.00 C ATOM 906 O ASP A 59 -7.728 -4.058 -9.274 1.00 0.00 O ATOM 907 CB ASP A 59 -8.179 -2.075 -7.000 1.00 0.00 C ATOM 908 CG ASP A 59 -9.031 -1.500 -8.115 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.537 -2.289 -8.940 1.00 0.00 O ATOM 910 OD2 ASP A 59 -9.190 -0.263 -8.163 1.00 0.00 O ATOM 0 H ASP A 59 -6.754 -0.897 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.197 -2.838 -6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.743 -2.848 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.961 -1.293 -6.273 1.00 0.00 H new ATOM 915 N GLY A 60 -6.684 -5.087 -7.567 1.00 0.00 N ATOM 916 CA GLY A 60 -6.882 -6.410 -8.129 1.00 0.00 C ATOM 917 C GLY A 60 -5.574 -7.121 -8.412 1.00 0.00 C ATOM 918 O GLY A 60 -5.383 -8.270 -8.011 1.00 0.00 O ATOM 0 H GLY A 60 -6.187 -5.070 -6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.476 -7.009 -7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.454 -6.327 -9.053 1.00 0.00 H new ATOM 922 N LYS A 61 -4.669 -6.439 -9.106 1.00 0.00 N ATOM 923 CA LYS A 61 -3.372 -7.012 -9.444 1.00 0.00 C ATOM 924 C LYS A 61 -2.583 -7.352 -8.184 1.00 0.00 C ATOM 925 O LYS A 61 -2.917 -6.898 -7.089 1.00 0.00 O ATOM 926 CB LYS A 61 -2.572 -6.038 -10.312 1.00 0.00 C ATOM 927 CG LYS A 61 -3.171 -5.817 -11.690 1.00 0.00 C ATOM 928 CD LYS A 61 -2.162 -5.202 -12.645 1.00 0.00 C ATOM 929 CE LYS A 61 -2.686 -5.183 -14.073 1.00 0.00 C ATOM 930 NZ LYS A 61 -2.004 -4.150 -14.900 1.00 0.00 N ATOM 0 H LYS A 61 -4.811 -5.488 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.543 -7.932 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.502 -5.080 -9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.555 -6.415 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.521 -6.768 -12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.041 -5.165 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.932 -4.185 -12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.231 -5.767 -12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.542 -6.164 -14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.759 -4.991 -14.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.389 -4.169 -15.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.162 -3.211 -14.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.983 -4.348 -14.930 1.00 0.00 H new ATOM 944 N ARG A 62 -1.534 -8.153 -8.346 1.00 0.00 N ATOM 945 CA ARG A 62 -0.698 -8.553 -7.221 1.00 0.00 C ATOM 946 C ARG A 62 0.649 -7.837 -7.262 1.00 0.00 C ATOM 947 O ARG A 62 1.239 -7.662 -8.329 1.00 0.00 O ATOM 948 CB ARG A 62 -0.482 -10.068 -7.231 1.00 0.00 C ATOM 949 CG ARG A 62 -1.775 -10.867 -7.204 1.00 0.00 C ATOM 950 CD ARG A 62 -1.576 -12.268 -7.760 1.00 0.00 C ATOM 951 NE ARG A 62 -1.342 -12.256 -9.202 1.00 0.00 N ATOM 952 CZ ARG A 62 -0.801 -13.270 -9.867 1.00 0.00 C ATOM 953 NH1 ARG A 62 -0.440 -14.372 -9.224 1.00 0.00 N ATOM 954 NH2 ARG A 62 -0.620 -13.184 -11.179 1.00 0.00 N ATOM 0 H ARG A 62 -1.244 -8.537 -9.245 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.212 -8.272 -6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.085 -10.340 -8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.125 -10.346 -6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.144 -10.930 -6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.537 -10.348 -7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.731 -12.740 -7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.455 -12.874 -7.540 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.609 -11.423 -9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.578 -14.442 -8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.025 -15.149 -9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.897 -12.338 -11.678 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.204 -13.964 -11.689 1.00 0.00 H new ATOM 968 N LEU A 63 1.129 -7.424 -6.095 1.00 0.00 N ATOM 969 CA LEU A 63 2.407 -6.725 -5.997 1.00 0.00 C ATOM 970 C LEU A 63 3.510 -7.506 -6.704 1.00 0.00 C ATOM 971 O LEU A 63 4.383 -6.923 -7.346 1.00 0.00 O ATOM 972 CB LEU A 63 2.780 -6.508 -4.530 1.00 0.00 C ATOM 973 CG LEU A 63 2.006 -5.413 -3.795 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.327 -5.437 -2.309 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.320 -4.047 -4.389 1.00 0.00 C ATOM 0 H LEU A 63 0.654 -7.560 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 63 2.302 -5.757 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.636 -7.447 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.843 -6.272 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 63 0.940 -5.604 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.767 -4.651 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.050 -6.405 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.395 -5.272 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.760 -3.280 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.388 -3.847 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.037 -4.034 -5.442 1.00 0.00 H new ATOM 987 N SER A 64 3.462 -8.829 -6.582 1.00 0.00 N ATOM 988 CA SER A 64 4.458 -9.691 -7.209 1.00 0.00 C ATOM 989 C SER A 64 4.603 -9.365 -8.692 1.00 0.00 C ATOM 990 O SER A 64 5.673 -9.541 -9.276 1.00 0.00 O ATOM 991 CB SER A 64 4.074 -11.161 -7.033 1.00 0.00 C ATOM 992 OG SER A 64 5.038 -12.014 -7.627 1.00 0.00 O ATOM 0 H SER A 64 2.745 -9.327 -6.055 1.00 0.00 H new ATOM 0 HA SER A 64 5.416 -9.512 -6.721 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.984 -11.392 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.098 -11.342 -7.483 1.00 0.00 H new ATOM 0 HG SER A 64 4.771 -12.948 -7.500 1.00 0.00 H new ATOM 998 N ASP A 65 3.519 -8.889 -9.295 1.00 0.00 N ATOM 999 CA ASP A 65 3.524 -8.536 -10.710 1.00 0.00 C ATOM 1000 C ASP A 65 4.166 -7.170 -10.928 1.00 0.00 C ATOM 1001 O ASP A 65 4.773 -6.916 -11.969 1.00 0.00 O ATOM 1002 CB ASP A 65 2.098 -8.537 -11.263 1.00 0.00 C ATOM 1003 CG ASP A 65 2.060 -8.729 -12.766 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.220 -9.881 -13.222 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.869 -7.728 -13.487 1.00 0.00 O ATOM 0 H ASP A 65 2.626 -8.739 -8.826 1.00 0.00 H new ATOM 0 HA ASP A 65 4.113 -9.283 -11.243 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.526 -9.332 -10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.612 -7.596 -11.008 1.00 0.00 H new ATOM 1010 N TYR A 66 4.028 -6.293 -9.940 1.00 0.00 N ATOM 1011 CA TYR A 66 4.591 -4.951 -10.024 1.00 0.00 C ATOM 1012 C TYR A 66 6.078 -4.961 -9.681 1.00 0.00 C ATOM 1013 O TYR A 66 6.709 -3.910 -9.572 1.00 0.00 O ATOM 1014 CB TYR A 66 3.846 -4.002 -9.084 1.00 0.00 C ATOM 1015 CG TYR A 66 2.565 -3.452 -9.669 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.580 -2.347 -10.511 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.339 -4.039 -9.381 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.412 -1.841 -11.047 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.166 -3.541 -9.914 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.207 -2.442 -10.746 1.00 0.00 C ATOM 1021 OH TYR A 66 -0.959 -1.942 -11.279 1.00 0.00 O ATOM 0 H TYR A 66 3.531 -6.488 -9.071 1.00 0.00 H new ATOM 0 HA TYR A 66 4.475 -4.600 -11.050 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.616 -4.528 -8.158 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.503 -3.172 -8.824 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.522 -1.875 -10.751 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.303 -4.899 -8.729 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.442 -0.980 -11.698 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.778 -4.010 -9.680 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.982 -2.121 -12.242 1.00 0.00 H new ATOM 1031 N SER A 67 6.631 -6.158 -9.512 1.00 0.00 N ATOM 1032 CA SER A 67 8.043 -6.307 -9.178 1.00 0.00 C ATOM 1033 C SER A 67 8.367 -5.606 -7.862 1.00 0.00 C ATOM 1034 O SER A 67 9.364 -4.892 -7.756 1.00 0.00 O ATOM 1035 CB SER A 67 8.916 -5.742 -10.299 1.00 0.00 C ATOM 1036 OG SER A 67 10.176 -6.390 -10.340 1.00 0.00 O ATOM 0 H SER A 67 6.123 -7.038 -9.601 1.00 0.00 H new ATOM 0 HA SER A 67 8.254 -7.370 -9.064 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.409 -5.865 -11.256 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.059 -4.672 -10.149 1.00 0.00 H new ATOM 0 HG SER A 67 10.715 -6.012 -11.066 1.00 0.00 H new ATOM 1042 N ILE A 68 7.517 -5.815 -6.863 1.00 0.00 N ATOM 1043 CA ILE A 68 7.712 -5.205 -5.554 1.00 0.00 C ATOM 1044 C ILE A 68 7.986 -6.262 -4.489 1.00 0.00 C ATOM 1045 O ILE A 68 7.068 -6.921 -4.004 1.00 0.00 O ATOM 1046 CB ILE A 68 6.487 -4.373 -5.132 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.287 -3.197 -6.090 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.650 -3.877 -3.703 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.922 -2.555 -5.982 1.00 0.00 C ATOM 0 H ILE A 68 6.686 -6.402 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 68 8.576 -4.546 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 68 5.602 -5.008 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.050 -2.444 -5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.437 -3.543 -7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.776 -3.291 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.749 -4.730 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.542 -3.255 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.851 -1.729 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.153 -3.294 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.776 -2.179 -4.970 1.00 0.00 H new ATOM 1061 N GLY A 69 9.257 -6.417 -4.130 1.00 0.00 N ATOM 1062 CA GLY A 69 9.629 -7.394 -3.123 1.00 0.00 C ATOM 1063 C GLY A 69 9.569 -6.830 -1.718 1.00 0.00 C ATOM 1064 O GLY A 69 8.886 -5.841 -1.451 1.00 0.00 O ATOM 0 H GLY A 69 10.035 -5.884 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.965 -8.255 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.638 -7.752 -3.324 1.00 0.00 H new ATOM 1068 N PRO A 70 10.297 -7.468 -0.789 1.00 0.00 N ATOM 1069 CA PRO A 70 10.339 -7.042 0.613 1.00 0.00 C ATOM 1070 C PRO A 70 11.082 -5.723 0.797 1.00 0.00 C ATOM 1071 O PRO A 70 11.746 -5.242 -0.120 1.00 0.00 O ATOM 1072 CB PRO A 70 11.092 -8.180 1.307 1.00 0.00 C ATOM 1073 CG PRO A 70 11.927 -8.791 0.235 1.00 0.00 C ATOM 1074 CD PRO A 70 11.135 -8.653 -1.036 1.00 0.00 C ATOM 0 HA PRO A 70 9.341 -6.865 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.709 -7.806 2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.403 -8.908 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.888 -8.284 0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.136 -9.838 0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.784 -8.513 -1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.531 -9.539 -1.231 1.00 0.00 H new ATOM 1082 N ASN A 71 10.964 -5.143 1.987 1.00 0.00 N ATOM 1083 CA ASN A 71 11.624 -3.879 2.290 1.00 0.00 C ATOM 1084 C ASN A 71 11.300 -2.828 1.231 1.00 0.00 C ATOM 1085 O ASN A 71 12.173 -2.075 0.802 1.00 0.00 O ATOM 1086 CB ASN A 71 13.139 -4.079 2.378 1.00 0.00 C ATOM 1087 CG ASN A 71 13.807 -3.049 3.268 1.00 0.00 C ATOM 1088 OD1 ASN A 71 14.584 -2.217 2.799 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.506 -3.100 4.561 1.00 0.00 N ATOM 0 H ASN A 71 10.417 -5.528 2.757 1.00 0.00 H new ATOM 0 HA ASN A 71 11.254 -3.526 3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.349 -5.077 2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.569 -4.024 1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.924 -2.432 5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.857 -3.807 4.906 1.00 0.00 H new ATOM 1096 N SER A 72 10.038 -2.785 0.816 1.00 0.00 N ATOM 1097 CA SER A 72 9.598 -1.829 -0.194 1.00 0.00 C ATOM 1098 C SER A 72 8.872 -0.652 0.451 1.00 0.00 C ATOM 1099 O SER A 72 8.021 -0.834 1.322 1.00 0.00 O ATOM 1100 CB SER A 72 8.682 -2.514 -1.209 1.00 0.00 C ATOM 1101 OG SER A 72 9.429 -3.068 -2.278 1.00 0.00 O ATOM 0 H SER A 72 9.302 -3.401 1.163 1.00 0.00 H new ATOM 0 HA SER A 72 10.481 -1.450 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.110 -3.300 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.963 -1.794 -1.599 1.00 0.00 H new ATOM 0 HG SER A 72 9.390 -4.046 -2.232 1.00 0.00 H new ATOM 1107 N LYS A 73 9.216 0.556 0.018 1.00 0.00 N ATOM 1108 CA LYS A 73 8.598 1.764 0.550 1.00 0.00 C ATOM 1109 C LYS A 73 7.611 2.357 -0.451 1.00 0.00 C ATOM 1110 O LYS A 73 8.009 2.888 -1.490 1.00 0.00 O ATOM 1111 CB LYS A 73 9.670 2.799 0.899 1.00 0.00 C ATOM 1112 CG LYS A 73 10.181 2.687 2.325 1.00 0.00 C ATOM 1113 CD LYS A 73 9.332 3.499 3.288 1.00 0.00 C ATOM 1114 CE LYS A 73 9.958 3.556 4.673 1.00 0.00 C ATOM 1115 NZ LYS A 73 9.328 4.603 5.524 1.00 0.00 N ATOM 0 H LYS A 73 9.920 0.724 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 73 8.053 1.495 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.508 2.687 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.262 3.798 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.180 1.641 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.214 3.032 2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.209 4.511 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.336 3.060 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.857 2.585 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.025 3.757 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.782 4.610 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.447 5.533 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.314 4.398 5.633 1.00 0.00 H new ATOM 1129 N LEU A 74 6.325 2.265 -0.133 1.00 0.00 N ATOM 1130 CA LEU A 74 5.281 2.795 -1.004 1.00 0.00 C ATOM 1131 C LEU A 74 4.844 4.183 -0.549 1.00 0.00 C ATOM 1132 O LEU A 74 4.939 4.519 0.631 1.00 0.00 O ATOM 1133 CB LEU A 74 4.079 1.850 -1.024 1.00 0.00 C ATOM 1134 CG LEU A 74 4.227 0.593 -1.882 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.298 -0.505 -1.386 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.949 0.909 -3.344 1.00 0.00 C ATOM 0 H LEU A 74 5.979 1.828 0.722 1.00 0.00 H new ATOM 0 HA LEU A 74 5.689 2.876 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.866 1.543 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.211 2.406 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 74 5.254 0.238 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.417 -1.392 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.545 -0.751 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.265 -0.160 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.059 0.003 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.933 1.290 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.656 1.661 -3.694 1.00 0.00 H new ATOM 1148 N ASN A 75 4.362 4.985 -1.493 1.00 0.00 N ATOM 1149 CA ASN A 75 3.908 6.337 -1.188 1.00 0.00 C ATOM 1150 C ASN A 75 2.386 6.396 -1.112 1.00 0.00 C ATOM 1151 O ASN A 75 1.689 5.720 -1.870 1.00 0.00 O ATOM 1152 CB ASN A 75 4.415 7.319 -2.247 1.00 0.00 C ATOM 1153 CG ASN A 75 4.635 8.711 -1.687 1.00 0.00 C ATOM 1154 OD1 ASN A 75 3.696 9.363 -1.229 1.00 0.00 O ATOM 1155 ND2 ASN A 75 5.879 9.173 -1.723 1.00 0.00 N ATOM 0 H ASN A 75 4.276 4.722 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 75 4.314 6.619 -0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.350 6.947 -2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.697 7.369 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.088 10.104 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.626 8.597 -2.112 1.00 0.00 H new ATOM 1162 N LEU A 76 1.876 7.208 -0.193 1.00 0.00 N ATOM 1163 CA LEU A 76 0.435 7.356 -0.018 1.00 0.00 C ATOM 1164 C LEU A 76 -0.036 8.721 -0.510 1.00 0.00 C ATOM 1165 O LEU A 76 0.637 9.732 -0.307 1.00 0.00 O ATOM 1166 CB LEU A 76 0.059 7.174 1.454 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.377 6.729 1.730 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.644 5.370 1.103 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.645 6.690 3.227 1.00 0.00 C ATOM 0 H LEU A 76 2.438 7.774 0.442 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.059 6.586 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.736 6.441 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.231 8.118 1.972 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.055 7.454 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.671 5.069 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.494 5.431 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.959 4.634 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.672 6.371 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.960 5.987 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.495 7.684 3.649 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.198 8.743 -1.156 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.761 9.984 -1.674 1.00 0.00 C ATOM 1183 C VAL A 77 -3.246 10.091 -1.347 1.00 0.00 C ATOM 1184 O VAL A 77 -3.979 9.104 -1.406 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.573 10.092 -3.198 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.931 11.489 -3.683 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.146 9.734 -3.585 1.00 0.00 C ATOM 0 H VAL A 77 -1.767 7.915 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.225 10.801 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.245 9.383 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.792 11.546 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.972 11.703 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.286 12.220 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.031 9.816 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.547 10.417 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.070 8.712 -3.273 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.685 11.298 -1.003 1.00 0.00 N ATOM 1198 CA VAL A 78 -5.084 11.536 -0.668 1.00 0.00 C ATOM 1199 C VAL A 78 -5.858 12.051 -1.876 1.00 0.00 C ATOM 1200 O VAL A 78 -5.496 13.064 -2.474 1.00 0.00 O ATOM 1201 CB VAL A 78 -5.221 12.548 0.485 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -6.687 12.809 0.796 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -4.486 12.051 1.720 1.00 0.00 C ATOM 0 H VAL A 78 -3.092 12.126 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.501 10.579 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.767 13.489 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.763 13.526 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.180 13.212 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.169 11.876 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.593 12.778 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.908 11.097 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.429 11.921 1.487 1.00 0.00 H new