USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 935 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 33 THR OG1 : rot 79:sc= -1.07 USER MOD Single : A 34 THR OG1 : rot 127:sc= 0.619 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 123:sc= 1.3 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -34:sc= 0.00171 USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= -1.65! (180deg=-3.37!) USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= -1.88! (180deg=-4.32!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.291 K(o=-0.29,f=-3.5!) USER MOD Single : A 59 HIS : no HE2:sc= -0.394 X(o=-0.39,f=-0.37) USER MOD Single : A 62 ASN : amide:sc= -1.68! C(o=-1.7!,f=-5.1!) USER MOD Single : A 64 LYS NZ :NH3+ -123:sc= 1.33 (180deg=0.539) USER MOD Single : A 65 MET CE :methyl -159:sc= -0.151 (180deg=-0.685) USER MOD Single : A 67 MET CE :methyl -149:sc= -0.172 (180deg=-0.675) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= -0.0154 (180deg=-0.17) USER MOD Single : A 79 TYR OH : rot 180:sc=-0.00349 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -90:sc= -0.646 USER MOD Single : A 91 ASN : amide:sc= -3.16! C(o=-3.2!,f=-13!) USER MOD Single : A 92 SER OG : rot -110:sc= -0.247 USER MOD Single : A 93 SER OG : rot -127:sc= 1.16 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 160:sc= -0.0529 (180deg=-0.341) USER MOD Single : A 112 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.137) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 11.425 -1.928 9.353 1.00 0.00 N ATOM 51 CA GLY A 5 11.236 -1.023 8.238 1.00 0.00 C ATOM 52 C GLY A 5 9.948 -0.235 8.356 1.00 0.00 C ATOM 53 O GLY A 5 9.610 0.252 9.437 1.00 0.00 O ATOM 0 HA2 GLY A 5 12.079 -0.334 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.229 -1.591 7.308 1.00 0.00 H new ATOM 57 N ILE A 6 9.236 -0.098 7.247 1.00 0.00 N ATOM 58 CA ILE A 6 7.959 0.607 7.236 1.00 0.00 C ATOM 59 C ILE A 6 6.926 -0.149 8.063 1.00 0.00 C ATOM 60 O ILE A 6 6.570 -1.287 7.746 1.00 0.00 O ATOM 61 CB ILE A 6 7.418 0.797 5.801 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.437 1.553 4.940 1.00 0.00 C ATOM 63 CG2 ILE A 6 6.090 1.542 5.832 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.990 1.770 3.507 1.00 0.00 C ATOM 0 H ILE A 6 9.521 -0.466 6.339 1.00 0.00 H new ATOM 0 HA ILE A 6 8.134 1.591 7.671 1.00 0.00 H new ATOM 0 HB ILE A 6 7.255 -0.185 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.638 2.521 5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.377 1.001 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.720 1.669 4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.366 0.971 6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.232 2.520 6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.764 2.311 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.817 0.805 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.067 2.350 3.498 1.00 0.00 H new ATOM 76 N ALA A 7 6.459 0.484 9.128 1.00 0.00 N ATOM 77 CA ALA A 7 5.477 -0.129 10.003 1.00 0.00 C ATOM 78 C ALA A 7 4.067 0.097 9.483 1.00 0.00 C ATOM 79 O ALA A 7 3.446 1.120 9.777 1.00 0.00 O ATOM 80 CB ALA A 7 5.608 0.412 11.418 1.00 0.00 C ATOM 0 H ALA A 7 6.746 1.423 9.406 1.00 0.00 H new ATOM 0 HA ALA A 7 5.668 -1.202 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.863 -0.060 12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.605 0.194 11.800 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.450 1.490 11.411 1.00 0.00 H new ATOM 86 N PHE A 8 3.577 -0.846 8.692 1.00 0.00 N ATOM 87 CA PHE A 8 2.218 -0.779 8.182 1.00 0.00 C ATOM 88 C PHE A 8 1.228 -1.048 9.306 1.00 0.00 C ATOM 89 O PHE A 8 1.441 -1.942 10.126 1.00 0.00 O ATOM 90 CB PHE A 8 2.019 -1.791 7.055 1.00 0.00 C ATOM 91 CG PHE A 8 2.802 -1.483 5.809 1.00 0.00 C ATOM 92 CD1 PHE A 8 2.267 -0.666 4.826 1.00 0.00 C ATOM 93 CD2 PHE A 8 4.067 -2.012 5.620 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.982 -0.383 3.676 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.787 -1.733 4.473 1.00 0.00 C ATOM 96 CZ PHE A 8 4.243 -0.918 3.500 1.00 0.00 C ATOM 0 H PHE A 8 4.102 -1.667 8.390 1.00 0.00 H new ATOM 0 HA PHE A 8 2.044 0.221 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.303 -2.780 7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.959 -1.835 6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.281 -0.246 4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.497 -2.650 6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.555 0.255 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.773 -2.152 4.338 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.803 -0.699 2.603 1.00 0.00 H new ATOM 106 N ARG A 9 0.155 -0.276 9.342 1.00 0.00 N ATOM 107 CA ARG A 9 -0.834 -0.392 10.405 1.00 0.00 C ATOM 108 C ARG A 9 -1.730 -1.605 10.181 1.00 0.00 C ATOM 109 O ARG A 9 -1.872 -2.081 9.053 1.00 0.00 O ATOM 110 CB ARG A 9 -1.682 0.879 10.469 1.00 0.00 C ATOM 111 CG ARG A 9 -0.855 2.149 10.570 1.00 0.00 C ATOM 112 CD ARG A 9 -1.728 3.391 10.590 1.00 0.00 C ATOM 113 NE ARG A 9 -0.939 4.613 10.440 1.00 0.00 N ATOM 114 CZ ARG A 9 -1.215 5.769 11.047 1.00 0.00 C ATOM 115 NH1 ARG A 9 -2.275 5.875 11.842 1.00 0.00 N ATOM 116 NH2 ARG A 9 -0.439 6.827 10.835 1.00 0.00 N ATOM 0 H ARG A 9 -0.055 0.440 8.647 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.309 -0.522 11.351 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.311 0.933 9.580 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.350 0.819 11.329 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.248 2.117 11.475 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.167 2.202 9.727 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.462 3.332 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.283 3.430 11.527 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.122 4.580 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.883 5.070 11.991 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.480 6.761 12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.364 6.754 10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.646 7.712 11.297 1.00 0.00 H new ATOM 130 N GLU A 10 -2.318 -2.104 11.259 1.00 0.00 N ATOM 131 CA GLU A 10 -3.249 -3.222 11.182 1.00 0.00 C ATOM 132 C GLU A 10 -4.571 -2.829 11.836 1.00 0.00 C ATOM 133 O GLU A 10 -4.722 -2.915 13.053 1.00 0.00 O ATOM 134 CB GLU A 10 -2.659 -4.456 11.878 1.00 0.00 C ATOM 135 CG GLU A 10 -3.539 -5.698 11.813 1.00 0.00 C ATOM 136 CD GLU A 10 -3.589 -6.319 10.432 1.00 0.00 C ATOM 137 OE1 GLU A 10 -4.356 -5.831 9.580 1.00 0.00 O ATOM 138 OE2 GLU A 10 -2.860 -7.309 10.196 1.00 0.00 O ATOM 0 H GLU A 10 -2.166 -1.750 12.203 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.425 -3.469 10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.694 -4.686 11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.472 -4.213 12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.168 -6.436 12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.550 -5.436 12.124 1.00 0.00 H new ATOM 145 N LEU A 11 -5.510 -2.363 11.026 1.00 0.00 N ATOM 146 CA LEU A 11 -6.787 -1.883 11.510 1.00 0.00 C ATOM 147 C LEU A 11 -7.885 -2.214 10.510 1.00 0.00 C ATOM 148 O LEU A 11 -7.599 -2.590 9.374 1.00 0.00 O ATOM 149 CB LEU A 11 -6.725 -0.371 11.704 1.00 0.00 C ATOM 150 CG LEU A 11 -5.957 0.117 12.936 1.00 0.00 C ATOM 151 CD1 LEU A 11 -5.893 1.636 12.957 1.00 0.00 C ATOM 152 CD2 LEU A 11 -6.605 -0.401 14.210 1.00 0.00 C ATOM 0 H LEU A 11 -5.403 -2.309 10.013 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.008 -2.369 12.460 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.269 0.071 10.818 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.745 0.010 11.762 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.941 -0.273 12.882 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.344 1.965 13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.385 1.991 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.904 2.042 12.987 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.045 -0.044 15.074 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.632 -0.040 14.269 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.603 -1.491 14.202 1.00 0.00 H new ATOM 164 N SER A 12 -9.135 -2.074 10.928 1.00 0.00 N ATOM 165 CA SER A 12 -10.263 -2.252 10.024 1.00 0.00 C ATOM 166 C SER A 12 -10.244 -1.166 8.948 1.00 0.00 C ATOM 167 O SER A 12 -9.809 -0.040 9.205 1.00 0.00 O ATOM 168 CB SER A 12 -11.576 -2.199 10.805 1.00 0.00 C ATOM 169 OG SER A 12 -11.536 -3.077 11.917 1.00 0.00 O ATOM 0 H SER A 12 -9.394 -1.838 11.886 1.00 0.00 H new ATOM 0 HA SER A 12 -10.182 -3.227 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.760 -1.180 11.147 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.405 -2.471 10.151 1.00 0.00 H new ATOM 0 HG SER A 12 -12.385 -3.027 12.404 1.00 0.00 H new ATOM 175 N PHE A 13 -10.711 -1.503 7.755 1.00 0.00 N ATOM 176 CA PHE A 13 -10.689 -0.571 6.629 1.00 0.00 C ATOM 177 C PHE A 13 -11.458 0.727 6.943 1.00 0.00 C ATOM 178 O PHE A 13 -10.903 1.815 6.775 1.00 0.00 O ATOM 179 CB PHE A 13 -11.231 -1.243 5.362 1.00 0.00 C ATOM 180 CG PHE A 13 -11.083 -0.408 4.122 1.00 0.00 C ATOM 181 CD1 PHE A 13 -9.880 -0.372 3.436 1.00 0.00 C ATOM 182 CD2 PHE A 13 -12.147 0.338 3.641 1.00 0.00 C ATOM 183 CE1 PHE A 13 -9.741 0.392 2.294 1.00 0.00 C ATOM 184 CE2 PHE A 13 -12.015 1.102 2.500 1.00 0.00 C ATOM 185 CZ PHE A 13 -10.811 1.131 1.826 1.00 0.00 C ATOM 0 H PHE A 13 -11.111 -2.416 7.538 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.650 -0.291 6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.713 -2.191 5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.286 -1.476 5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.041 -0.948 3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -13.091 0.321 4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.798 0.412 1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.853 1.677 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 13 -10.705 1.730 0.934 1.00 0.00 H new ATOM 195 N PRO A 14 -12.739 0.651 7.398 1.00 0.00 N ATOM 196 CA PRO A 14 -13.498 1.843 7.821 1.00 0.00 C ATOM 197 C PRO A 14 -12.729 2.702 8.824 1.00 0.00 C ATOM 198 O PRO A 14 -12.699 3.929 8.715 1.00 0.00 O ATOM 199 CB PRO A 14 -14.747 1.255 8.481 1.00 0.00 C ATOM 200 CG PRO A 14 -14.934 -0.068 7.830 1.00 0.00 C ATOM 201 CD PRO A 14 -13.558 -0.575 7.500 1.00 0.00 C ATOM 0 HA PRO A 14 -13.709 2.504 6.981 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.613 1.151 9.558 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.614 1.897 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.453 -0.758 8.495 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.541 0.024 6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.182 -1.242 8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.553 -1.137 6.566 1.00 0.00 H new ATOM 209 N GLU A 15 -12.105 2.040 9.793 1.00 0.00 N ATOM 210 CA GLU A 15 -11.298 2.710 10.802 1.00 0.00 C ATOM 211 C GLU A 15 -10.157 3.478 10.163 1.00 0.00 C ATOM 212 O GLU A 15 -9.944 4.660 10.442 1.00 0.00 O ATOM 213 CB GLU A 15 -10.715 1.685 11.770 1.00 0.00 C ATOM 214 CG GLU A 15 -11.757 0.968 12.610 1.00 0.00 C ATOM 215 CD GLU A 15 -12.636 1.927 13.377 1.00 0.00 C ATOM 216 OE1 GLU A 15 -12.158 2.512 14.366 1.00 0.00 O ATOM 217 OE2 GLU A 15 -13.803 2.114 12.978 1.00 0.00 O ATOM 0 H GLU A 15 -12.145 1.026 9.899 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.944 3.407 11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.149 0.946 11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.010 2.186 12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.378 0.348 11.963 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.258 0.298 13.310 1.00 0.00 H new ATOM 224 N ALA A 16 -9.424 2.791 9.304 1.00 0.00 N ATOM 225 CA ALA A 16 -8.267 3.367 8.663 1.00 0.00 C ATOM 226 C ALA A 16 -8.661 4.544 7.773 1.00 0.00 C ATOM 227 O ALA A 16 -7.938 5.538 7.688 1.00 0.00 O ATOM 228 CB ALA A 16 -7.538 2.307 7.855 1.00 0.00 C ATOM 0 H ALA A 16 -9.616 1.826 9.036 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.598 3.744 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.666 2.751 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.217 1.502 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.207 1.906 7.093 1.00 0.00 H new ATOM 234 N LEU A 17 -9.814 4.417 7.125 1.00 0.00 N ATOM 235 CA LEU A 17 -10.331 5.457 6.241 1.00 0.00 C ATOM 236 C LEU A 17 -10.567 6.748 7.015 1.00 0.00 C ATOM 237 O LEU A 17 -10.172 7.830 6.575 1.00 0.00 O ATOM 238 CB LEU A 17 -11.645 4.996 5.607 1.00 0.00 C ATOM 239 CG LEU A 17 -12.135 5.842 4.428 1.00 0.00 C ATOM 240 CD1 LEU A 17 -11.131 5.799 3.287 1.00 0.00 C ATOM 241 CD2 LEU A 17 -13.502 5.364 3.964 1.00 0.00 C ATOM 0 H LEU A 17 -10.414 3.595 7.197 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.594 5.643 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.525 3.967 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.418 4.991 6.375 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.229 6.876 4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.496 6.406 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.174 6.191 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.003 4.769 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.836 5.975 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.436 4.322 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.215 5.451 4.784 1.00 0.00 H new ATOM 253 N LYS A 18 -11.216 6.618 8.165 1.00 0.00 N ATOM 254 CA LYS A 18 -11.490 7.750 9.035 1.00 0.00 C ATOM 255 C LYS A 18 -10.202 8.480 9.411 1.00 0.00 C ATOM 256 O LYS A 18 -10.097 9.696 9.247 1.00 0.00 O ATOM 257 CB LYS A 18 -12.211 7.274 10.298 1.00 0.00 C ATOM 258 CG LYS A 18 -12.664 8.409 11.196 1.00 0.00 C ATOM 259 CD LYS A 18 -13.612 9.339 10.463 1.00 0.00 C ATOM 260 CE LYS A 18 -14.945 8.669 10.171 1.00 0.00 C ATOM 261 NZ LYS A 18 -15.846 9.547 9.381 1.00 0.00 N ATOM 0 H LYS A 18 -11.565 5.727 8.518 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.130 8.448 8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.078 6.680 10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.547 6.618 10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.158 8.003 12.079 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.797 8.970 11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.778 10.234 11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.154 9.661 9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.773 7.741 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.430 8.402 11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.744 9.053 9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.031 10.422 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.395 9.782 8.474 1.00 0.00 H new ATOM 275 N ARG A 19 -9.220 7.728 9.897 1.00 0.00 N ATOM 276 CA ARG A 19 -7.945 8.302 10.300 1.00 0.00 C ATOM 277 C ARG A 19 -7.245 8.970 9.120 1.00 0.00 C ATOM 278 O ARG A 19 -6.628 10.022 9.272 1.00 0.00 O ATOM 279 CB ARG A 19 -7.045 7.223 10.897 1.00 0.00 C ATOM 280 CG ARG A 19 -7.537 6.677 12.227 1.00 0.00 C ATOM 281 CD ARG A 19 -7.584 7.757 13.297 1.00 0.00 C ATOM 282 NE ARG A 19 -7.929 7.208 14.608 1.00 0.00 N ATOM 283 CZ ARG A 19 -7.957 7.918 15.737 1.00 0.00 C ATOM 284 NH1 ARG A 19 -7.733 9.227 15.717 1.00 0.00 N ATOM 285 NH2 ARG A 19 -8.236 7.314 16.884 1.00 0.00 N ATOM 0 H ARG A 19 -9.285 6.718 10.021 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.142 9.062 11.056 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.960 6.400 10.187 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.044 7.632 11.032 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.531 6.248 12.099 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.882 5.870 12.554 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.616 8.254 13.354 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.315 8.515 13.016 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.164 6.217 14.663 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.538 9.698 14.833 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.756 9.762 16.585 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.428 6.312 16.899 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.259 7.851 17.751 1.00 0.00 H new ATOM 299 N ALA A 20 -7.355 8.360 7.943 1.00 0.00 N ATOM 300 CA ALA A 20 -6.760 8.913 6.731 1.00 0.00 C ATOM 301 C ALA A 20 -7.361 10.274 6.392 1.00 0.00 C ATOM 302 O ALA A 20 -6.661 11.164 5.929 1.00 0.00 O ATOM 303 CB ALA A 20 -6.936 7.951 5.566 1.00 0.00 C ATOM 0 H ALA A 20 -7.852 7.480 7.803 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.694 9.052 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.487 8.379 4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.449 7.004 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.998 7.780 5.393 1.00 0.00 H new ATOM 309 N GLU A 21 -8.651 10.440 6.651 1.00 0.00 N ATOM 310 CA GLU A 21 -9.329 11.693 6.343 1.00 0.00 C ATOM 311 C GLU A 21 -8.854 12.818 7.261 1.00 0.00 C ATOM 312 O GLU A 21 -8.632 13.947 6.816 1.00 0.00 O ATOM 313 CB GLU A 21 -10.847 11.525 6.463 1.00 0.00 C ATOM 314 CG GLU A 21 -11.619 12.800 6.170 1.00 0.00 C ATOM 315 CD GLU A 21 -13.118 12.606 6.217 1.00 0.00 C ATOM 316 OE1 GLU A 21 -13.670 12.479 7.328 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.756 12.606 5.148 1.00 0.00 O ATOM 0 H GLU A 21 -9.247 9.727 7.072 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.081 11.962 5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.174 10.745 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.089 11.185 7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.334 13.565 6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.337 13.171 5.185 1.00 0.00 H new ATOM 324 N VAL A 22 -8.686 12.504 8.537 1.00 0.00 N ATOM 325 CA VAL A 22 -8.343 13.517 9.530 1.00 0.00 C ATOM 326 C VAL A 22 -6.839 13.787 9.576 1.00 0.00 C ATOM 327 O VAL A 22 -6.407 14.937 9.527 1.00 0.00 O ATOM 328 CB VAL A 22 -8.823 13.105 10.935 1.00 0.00 C ATOM 329 CG1 VAL A 22 -8.538 14.203 11.950 1.00 0.00 C ATOM 330 CG2 VAL A 22 -10.303 12.761 10.917 1.00 0.00 C ATOM 0 H VAL A 22 -8.781 11.560 8.911 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.852 14.431 9.225 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.269 12.216 11.235 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.886 13.888 12.934 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.465 14.394 11.988 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.058 15.115 11.656 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.622 12.473 11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.875 13.630 10.590 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.476 11.933 10.229 1.00 0.00 H new ATOM 340 N GLU A 23 -6.047 12.727 9.650 1.00 0.00 N ATOM 341 CA GLU A 23 -4.609 12.861 9.853 1.00 0.00 C ATOM 342 C GLU A 23 -3.872 13.106 8.547 1.00 0.00 C ATOM 343 O GLU A 23 -2.850 13.796 8.522 1.00 0.00 O ATOM 344 CB GLU A 23 -4.049 11.603 10.513 1.00 0.00 C ATOM 345 CG GLU A 23 -4.531 11.394 11.934 1.00 0.00 C ATOM 346 CD GLU A 23 -4.080 12.500 12.862 1.00 0.00 C ATOM 347 OE1 GLU A 23 -2.855 12.667 13.037 1.00 0.00 O ATOM 348 OE2 GLU A 23 -4.945 13.205 13.420 1.00 0.00 O ATOM 0 H GLU A 23 -6.374 11.764 9.573 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.455 13.724 10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.325 10.735 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.960 11.657 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.620 11.338 11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.160 10.438 12.304 1.00 0.00 H new ATOM 355 N ASP A 24 -4.382 12.548 7.465 1.00 0.00 N ATOM 356 CA ASP A 24 -3.652 12.571 6.214 1.00 0.00 C ATOM 357 C ASP A 24 -4.557 12.935 5.045 1.00 0.00 C ATOM 358 O ASP A 24 -5.327 13.895 5.121 1.00 0.00 O ATOM 359 CB ASP A 24 -2.981 11.218 5.990 1.00 0.00 C ATOM 360 CG ASP A 24 -1.906 11.280 4.932 1.00 0.00 C ATOM 361 OD1 ASP A 24 -0.797 11.769 5.240 1.00 0.00 O ATOM 362 OD2 ASP A 24 -2.176 10.847 3.791 1.00 0.00 O ATOM 0 H ASP A 24 -5.287 12.079 7.427 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.885 13.343 6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.546 10.871 6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.734 10.486 5.698 1.00 0.00 H new ATOM 367 N LYS A 25 -4.462 12.168 3.975 1.00 0.00 N ATOM 368 CA LYS A 25 -5.125 12.511 2.735 1.00 0.00 C ATOM 369 C LYS A 25 -5.483 11.266 1.926 1.00 0.00 C ATOM 370 O LYS A 25 -6.565 11.186 1.344 1.00 0.00 O ATOM 371 CB LYS A 25 -4.206 13.445 1.941 1.00 0.00 C ATOM 372 CG LYS A 25 -3.137 12.753 1.111 1.00 0.00 C ATOM 373 CD LYS A 25 -1.931 13.657 0.931 1.00 0.00 C ATOM 374 CE LYS A 25 -1.271 13.947 2.271 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.119 14.870 2.149 1.00 0.00 N ATOM 0 H LYS A 25 -3.929 11.299 3.942 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.066 13.016 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.820 14.054 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.717 14.126 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.834 11.826 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.544 12.482 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.213 13.184 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.238 14.592 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.007 14.378 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.936 13.011 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.295 15.035 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.598 14.450 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.440 15.775 1.748 1.00 0.00 H new ATOM 389 N LEU A 26 -4.582 10.292 1.901 1.00 0.00 N ATOM 390 CA LEU A 26 -4.786 9.088 1.111 1.00 0.00 C ATOM 391 C LEU A 26 -4.412 7.850 1.908 1.00 0.00 C ATOM 392 O LEU A 26 -3.437 7.850 2.663 1.00 0.00 O ATOM 393 CB LEU A 26 -3.962 9.138 -0.182 1.00 0.00 C ATOM 394 CG LEU A 26 -4.349 10.238 -1.176 1.00 0.00 C ATOM 395 CD1 LEU A 26 -3.390 10.246 -2.357 1.00 0.00 C ATOM 396 CD2 LEU A 26 -5.776 10.045 -1.660 1.00 0.00 C ATOM 0 H LEU A 26 -3.704 10.314 2.419 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.844 9.036 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.912 9.266 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.049 8.174 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.284 11.199 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.678 11.033 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.376 10.430 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.428 9.281 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.031 10.836 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.865 9.077 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.457 10.083 -0.810 1.00 0.00 H new ATOM 408 N LEU A 27 -5.190 6.796 1.734 1.00 0.00 N ATOM 409 CA LEU A 27 -4.925 5.543 2.408 1.00 0.00 C ATOM 410 C LEU A 27 -4.132 4.620 1.496 1.00 0.00 C ATOM 411 O LEU A 27 -4.608 4.215 0.433 1.00 0.00 O ATOM 412 CB LEU A 27 -6.233 4.875 2.837 1.00 0.00 C ATOM 413 CG LEU A 27 -6.075 3.583 3.643 1.00 0.00 C ATOM 414 CD1 LEU A 27 -5.344 3.851 4.949 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.434 2.956 3.911 1.00 0.00 C ATOM 0 H LEU A 27 -6.012 6.786 1.130 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.336 5.746 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.807 5.586 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.820 4.658 1.945 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.480 2.883 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.242 2.920 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.355 4.256 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.910 4.569 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.305 2.038 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.051 3.654 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.922 2.726 2.964 1.00 0.00 H new ATOM 427 N PHE A 28 -2.914 4.317 1.908 1.00 0.00 N ATOM 428 CA PHE A 28 -2.046 3.425 1.158 1.00 0.00 C ATOM 429 C PHE A 28 -2.248 1.996 1.637 1.00 0.00 C ATOM 430 O PHE A 28 -1.843 1.641 2.743 1.00 0.00 O ATOM 431 CB PHE A 28 -0.580 3.845 1.332 1.00 0.00 C ATOM 432 CG PHE A 28 0.395 2.988 0.579 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.612 3.188 -0.775 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.097 1.982 1.224 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.510 2.400 -1.469 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.996 1.193 0.535 1.00 0.00 C ATOM 437 CZ PHE A 28 2.203 1.403 -0.814 1.00 0.00 C ATOM 0 H PHE A 28 -2.500 4.680 2.767 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.298 3.484 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.468 4.879 1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.328 3.818 2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.074 3.968 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.939 1.813 2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.669 2.565 -2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.537 0.413 1.050 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.906 0.788 -1.355 1.00 0.00 H new ATOM 447 N VAL A 29 -2.887 1.186 0.814 1.00 0.00 N ATOM 448 CA VAL A 29 -3.211 -0.177 1.194 1.00 0.00 C ATOM 449 C VAL A 29 -2.203 -1.161 0.611 1.00 0.00 C ATOM 450 O VAL A 29 -1.988 -1.204 -0.601 1.00 0.00 O ATOM 451 CB VAL A 29 -4.632 -0.566 0.739 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.010 -1.943 1.257 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.647 0.472 1.194 1.00 0.00 C ATOM 0 H VAL A 29 -3.192 1.448 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.168 -0.225 2.282 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.638 -0.599 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.017 -2.194 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.306 -2.682 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.979 -1.943 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.643 0.177 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.633 0.542 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.394 1.441 0.765 1.00 0.00 H new ATOM 463 N ASP A 30 -1.582 -1.929 1.491 1.00 0.00 N ATOM 464 CA ASP A 30 -0.637 -2.967 1.098 1.00 0.00 C ATOM 465 C ASP A 30 -1.315 -4.330 1.117 1.00 0.00 C ATOM 466 O ASP A 30 -1.592 -4.883 2.183 1.00 0.00 O ATOM 467 CB ASP A 30 0.579 -2.968 2.035 1.00 0.00 C ATOM 468 CG ASP A 30 1.483 -4.176 1.841 1.00 0.00 C ATOM 469 OD1 ASP A 30 2.013 -4.358 0.723 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.681 -4.937 2.813 1.00 0.00 O ATOM 0 H ASP A 30 -1.717 -1.852 2.499 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.295 -2.758 0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.157 -2.059 1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.233 -2.943 3.068 1.00 0.00 H new ATOM 475 N CYS A 31 -1.616 -4.845 -0.060 1.00 0.00 N ATOM 476 CA CYS A 31 -2.224 -6.157 -0.185 1.00 0.00 C ATOM 477 C CYS A 31 -1.235 -7.141 -0.790 1.00 0.00 C ATOM 478 O CYS A 31 -0.448 -6.788 -1.671 1.00 0.00 O ATOM 479 CB CYS A 31 -3.484 -6.085 -1.044 1.00 0.00 C ATOM 480 SG CYS A 31 -4.796 -5.061 -0.340 1.00 0.00 S ATOM 0 H CYS A 31 -1.448 -4.372 -0.948 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.502 -6.503 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.220 -5.694 -2.026 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.867 -7.094 -1.195 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.821 -5.059 -1.139 1.00 0.00 H new ATOM 486 N PHE A 32 -1.265 -8.369 -0.311 1.00 0.00 N ATOM 487 CA PHE A 32 -0.351 -9.387 -0.790 1.00 0.00 C ATOM 488 C PHE A 32 -0.962 -10.766 -0.630 1.00 0.00 C ATOM 489 O PHE A 32 -1.970 -10.934 0.059 1.00 0.00 O ATOM 490 CB PHE A 32 0.982 -9.310 -0.031 1.00 0.00 C ATOM 491 CG PHE A 32 0.845 -9.449 1.466 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.572 -8.343 2.257 1.00 0.00 C ATOM 493 CD2 PHE A 32 0.990 -10.685 2.077 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.445 -8.469 3.629 1.00 0.00 C ATOM 495 CE2 PHE A 32 0.864 -10.817 3.447 1.00 0.00 C ATOM 496 CZ PHE A 32 0.591 -9.708 4.224 1.00 0.00 C ATOM 0 H PHE A 32 -1.913 -8.686 0.410 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.163 -9.209 -1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.644 -10.094 -0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.461 -8.357 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.457 -7.373 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.204 -11.556 1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.232 -7.600 4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.979 -11.786 3.910 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.492 -9.809 5.295 1.00 0.00 H new ATOM 506 N THR A 33 -0.351 -11.746 -1.265 1.00 0.00 N ATOM 507 CA THR A 33 -0.761 -13.126 -1.101 1.00 0.00 C ATOM 508 C THR A 33 0.152 -13.826 -0.103 1.00 0.00 C ATOM 509 O THR A 33 1.299 -13.420 0.084 1.00 0.00 O ATOM 510 CB THR A 33 -0.695 -13.881 -2.439 1.00 0.00 C ATOM 511 OG1 THR A 33 0.608 -13.721 -3.013 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.748 -13.376 -3.411 1.00 0.00 C ATOM 0 H THR A 33 0.434 -11.611 -1.902 1.00 0.00 H new ATOM 0 HA THR A 33 -1.788 -13.128 -0.737 1.00 0.00 H new ATOM 0 HB THR A 33 -0.891 -14.936 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.237 -14.329 -2.571 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.675 -13.930 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.739 -13.520 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.587 -12.315 -3.604 1.00 0.00 H new ATOM 520 N THR A 34 -0.355 -14.871 0.532 1.00 0.00 N ATOM 521 CA THR A 34 0.436 -15.647 1.476 1.00 0.00 C ATOM 522 C THR A 34 1.457 -16.501 0.721 1.00 0.00 C ATOM 523 O THR A 34 2.426 -16.996 1.298 1.00 0.00 O ATOM 524 CB THR A 34 -0.479 -16.538 2.339 1.00 0.00 C ATOM 525 OG1 THR A 34 -1.584 -15.757 2.824 1.00 0.00 O ATOM 526 CG2 THR A 34 0.273 -17.132 3.521 1.00 0.00 C ATOM 0 H THR A 34 -1.312 -15.202 0.411 1.00 0.00 H new ATOM 0 HA THR A 34 0.969 -14.963 2.136 1.00 0.00 H new ATOM 0 HB THR A 34 -0.837 -17.358 1.717 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.425 -16.208 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.403 -17.754 4.107 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.101 -17.740 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.660 -16.328 4.147 1.00 0.00 H new ATOM 534 N TRP A 35 1.224 -16.646 -0.582 1.00 0.00 N ATOM 535 CA TRP A 35 2.138 -17.353 -1.471 1.00 0.00 C ATOM 536 C TRP A 35 3.492 -16.655 -1.502 1.00 0.00 C ATOM 537 O TRP A 35 3.612 -15.558 -2.056 1.00 0.00 O ATOM 538 CB TRP A 35 1.568 -17.401 -2.892 1.00 0.00 C ATOM 539 CG TRP A 35 0.276 -18.153 -3.020 1.00 0.00 C ATOM 540 CD1 TRP A 35 -0.887 -17.923 -2.343 1.00 0.00 C ATOM 541 CD2 TRP A 35 0.011 -19.240 -3.906 1.00 0.00 C ATOM 542 NE1 TRP A 35 -1.849 -18.818 -2.738 1.00 0.00 N ATOM 543 CE2 TRP A 35 -1.325 -19.631 -3.704 1.00 0.00 C ATOM 544 CE3 TRP A 35 0.778 -19.922 -4.853 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -1.909 -20.677 -4.410 1.00 0.00 C ATOM 546 CZ3 TRP A 35 0.195 -20.958 -5.555 1.00 0.00 C ATOM 547 CH2 TRP A 35 -1.138 -21.324 -5.334 1.00 0.00 C ATOM 0 H TRP A 35 0.396 -16.276 -1.049 1.00 0.00 H new ATOM 0 HA TRP A 35 2.261 -18.368 -1.094 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.416 -16.380 -3.243 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.306 -17.858 -3.551 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.029 -17.149 -1.604 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.799 -18.868 -2.371 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.806 -19.645 -5.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.934 -20.967 -4.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 0.778 -21.496 -6.288 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.566 -22.134 -5.906 1.00 0.00 H new ATOM 558 N CYS A 36 4.494 -17.286 -0.898 1.00 0.00 N ATOM 559 CA CYS A 36 5.839 -16.723 -0.825 1.00 0.00 C ATOM 560 C CYS A 36 5.811 -15.378 -0.098 1.00 0.00 C ATOM 561 O CYS A 36 4.886 -15.093 0.667 1.00 0.00 O ATOM 562 CB CYS A 36 6.425 -16.555 -2.234 1.00 0.00 C ATOM 563 SG CYS A 36 6.503 -18.086 -3.193 1.00 0.00 S ATOM 0 H CYS A 36 4.398 -18.196 -0.448 1.00 0.00 H new ATOM 0 HA CYS A 36 6.474 -17.410 -0.265 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.825 -15.828 -2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.430 -16.141 -2.150 1.00 0.00 H new ATOM 0 HG CYS A 36 7.009 -17.839 -4.365 1.00 0.00 H new ATOM 569 N GLY A 37 6.829 -14.559 -0.315 1.00 0.00 N ATOM 570 CA GLY A 37 6.833 -13.231 0.259 1.00 0.00 C ATOM 571 C GLY A 37 7.073 -12.156 -0.783 1.00 0.00 C ATOM 572 O GLY A 37 8.173 -11.608 -0.854 1.00 0.00 O ATOM 0 H GLY A 37 7.649 -14.789 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.879 -13.048 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.606 -13.171 1.025 1.00 0.00 H new ATOM 576 N PRO A 38 6.059 -11.832 -1.612 1.00 0.00 N ATOM 577 CA PRO A 38 6.188 -10.809 -2.654 1.00 0.00 C ATOM 578 C PRO A 38 6.399 -9.417 -2.065 1.00 0.00 C ATOM 579 O PRO A 38 7.284 -8.679 -2.498 1.00 0.00 O ATOM 580 CB PRO A 38 4.852 -10.877 -3.408 1.00 0.00 C ATOM 581 CG PRO A 38 4.227 -12.166 -2.994 1.00 0.00 C ATOM 582 CD PRO A 38 4.720 -12.437 -1.604 1.00 0.00 C ATOM 0 HA PRO A 38 7.053 -10.988 -3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.214 -10.031 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.008 -10.845 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.139 -12.097 -3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.509 -12.972 -3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.076 -11.984 -0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.760 -13.505 -1.389 1.00 0.00 H new ATOM 590 N CYS A 39 5.596 -9.074 -1.065 1.00 0.00 N ATOM 591 CA CYS A 39 5.740 -7.799 -0.375 1.00 0.00 C ATOM 592 C CYS A 39 6.853 -7.897 0.659 1.00 0.00 C ATOM 593 O CYS A 39 7.618 -6.952 0.863 1.00 0.00 O ATOM 594 CB CYS A 39 4.421 -7.400 0.295 1.00 0.00 C ATOM 595 SG CYS A 39 4.497 -5.835 1.196 1.00 0.00 S ATOM 0 H CYS A 39 4.839 -9.661 -0.714 1.00 0.00 H new ATOM 0 HA CYS A 39 5.999 -7.030 -1.103 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.645 -7.331 -0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.122 -8.190 0.984 1.00 0.00 H new ATOM 0 HG CYS A 39 3.598 -5.021 0.728 1.00 0.00 H new ATOM 601 N LYS A 40 6.952 -9.067 1.287 1.00 0.00 N ATOM 602 CA LYS A 40 7.959 -9.315 2.316 1.00 0.00 C ATOM 603 C LYS A 40 9.368 -9.148 1.755 1.00 0.00 C ATOM 604 O LYS A 40 10.314 -8.882 2.499 1.00 0.00 O ATOM 605 CB LYS A 40 7.795 -10.721 2.900 1.00 0.00 C ATOM 606 CG LYS A 40 6.415 -10.983 3.482 1.00 0.00 C ATOM 607 CD LYS A 40 6.329 -12.359 4.120 1.00 0.00 C ATOM 608 CE LYS A 40 4.916 -12.671 4.588 1.00 0.00 C ATOM 609 NZ LYS A 40 4.828 -14.007 5.235 1.00 0.00 N ATOM 0 H LYS A 40 6.342 -9.863 1.099 1.00 0.00 H new ATOM 0 HA LYS A 40 7.813 -8.581 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.996 -11.455 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.543 -10.871 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.183 -10.221 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.666 -10.899 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.651 -13.114 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.013 -12.412 4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.589 -11.905 5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.235 -12.634 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.849 -14.181 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.115 -14.741 4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.458 -14.034 6.062 1.00 0.00 H new ATOM 623 N ARG A 41 9.504 -9.319 0.442 1.00 0.00 N ATOM 624 CA ARG A 41 10.776 -9.089 -0.231 1.00 0.00 C ATOM 625 C ARG A 41 11.245 -7.662 0.013 1.00 0.00 C ATOM 626 O ARG A 41 12.400 -7.427 0.372 1.00 0.00 O ATOM 627 CB ARG A 41 10.653 -9.325 -1.740 1.00 0.00 C ATOM 628 CG ARG A 41 11.923 -8.970 -2.494 1.00 0.00 C ATOM 629 CD ARG A 41 11.680 -8.805 -3.982 1.00 0.00 C ATOM 630 NE ARG A 41 12.823 -8.166 -4.629 1.00 0.00 N ATOM 631 CZ ARG A 41 12.720 -7.219 -5.560 1.00 0.00 C ATOM 632 NH1 ARG A 41 11.524 -6.837 -5.984 1.00 0.00 N ATOM 633 NH2 ARG A 41 13.813 -6.648 -6.053 1.00 0.00 N ATOM 0 H ARG A 41 8.748 -9.616 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 41 11.501 -9.793 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.408 -10.372 -1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.826 -8.732 -2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.336 -8.046 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.668 -9.749 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.499 -9.780 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.784 -8.206 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 41 13.758 -8.463 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.684 -7.268 -5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.443 -6.112 -6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.733 -6.935 -5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.732 -5.923 -6.766 1.00 0.00 H new ATOM 647 N LEU A 42 10.333 -6.717 -0.167 1.00 0.00 N ATOM 648 CA LEU A 42 10.652 -5.306 -0.018 1.00 0.00 C ATOM 649 C LEU A 42 10.850 -4.957 1.448 1.00 0.00 C ATOM 650 O LEU A 42 11.641 -4.081 1.779 1.00 0.00 O ATOM 651 CB LEU A 42 9.557 -4.420 -0.627 1.00 0.00 C ATOM 652 CG LEU A 42 9.521 -4.359 -2.159 1.00 0.00 C ATOM 653 CD1 LEU A 42 9.026 -5.668 -2.754 1.00 0.00 C ATOM 654 CD2 LEU A 42 8.648 -3.203 -2.620 1.00 0.00 C ATOM 0 H LEU A 42 9.362 -6.904 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 42 11.581 -5.117 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.589 -4.777 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.682 -3.407 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 42 10.539 -4.196 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.012 -5.591 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.692 -6.478 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.019 -5.874 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.631 -3.171 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.634 -3.341 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.052 -2.266 -2.236 1.00 0.00 H new ATOM 666 N SER A 43 10.135 -5.650 2.324 1.00 0.00 N ATOM 667 CA SER A 43 10.266 -5.447 3.763 1.00 0.00 C ATOM 668 C SER A 43 11.704 -5.693 4.218 1.00 0.00 C ATOM 669 O SER A 43 12.175 -5.099 5.189 1.00 0.00 O ATOM 670 CB SER A 43 9.314 -6.380 4.508 1.00 0.00 C ATOM 671 OG SER A 43 8.007 -6.314 3.966 1.00 0.00 O ATOM 0 H SER A 43 9.454 -6.362 2.062 1.00 0.00 H new ATOM 0 HA SER A 43 10.007 -4.413 3.991 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.684 -7.404 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.287 -6.110 5.564 1.00 0.00 H new ATOM 0 HG SER A 43 7.828 -5.403 3.653 1.00 0.00 H new ATOM 677 N LYS A 44 12.389 -6.576 3.504 1.00 0.00 N ATOM 678 CA LYS A 44 13.748 -6.957 3.846 1.00 0.00 C ATOM 679 C LYS A 44 14.734 -5.807 3.599 1.00 0.00 C ATOM 680 O LYS A 44 15.424 -5.374 4.522 1.00 0.00 O ATOM 681 CB LYS A 44 14.150 -8.202 3.047 1.00 0.00 C ATOM 682 CG LYS A 44 15.479 -8.808 3.474 1.00 0.00 C ATOM 683 CD LYS A 44 15.770 -10.123 2.754 1.00 0.00 C ATOM 684 CE LYS A 44 15.020 -11.308 3.364 1.00 0.00 C ATOM 685 NZ LYS A 44 13.546 -11.245 3.143 1.00 0.00 N ATOM 0 H LYS A 44 12.019 -7.044 2.677 1.00 0.00 H new ATOM 0 HA LYS A 44 13.784 -7.188 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.369 -8.955 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.204 -7.941 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.282 -8.099 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.469 -8.979 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.495 -10.026 1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.841 -10.321 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.406 -12.233 2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.219 -11.344 4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.163 -12.210 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.097 -10.748 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.349 -10.734 2.259 1.00 0.00 H new ATOM 699 N VAL A 45 14.816 -5.324 2.359 1.00 0.00 N ATOM 700 CA VAL A 45 15.774 -4.266 2.024 1.00 0.00 C ATOM 701 C VAL A 45 15.093 -2.929 1.710 1.00 0.00 C ATOM 702 O VAL A 45 15.429 -1.901 2.304 1.00 0.00 O ATOM 703 CB VAL A 45 16.668 -4.672 0.831 1.00 0.00 C ATOM 704 CG1 VAL A 45 17.682 -3.581 0.519 1.00 0.00 C ATOM 705 CG2 VAL A 45 17.372 -5.990 1.117 1.00 0.00 C ATOM 0 H VAL A 45 14.241 -5.642 1.579 1.00 0.00 H new ATOM 0 HA VAL A 45 16.391 -4.133 2.913 1.00 0.00 H new ATOM 0 HB VAL A 45 16.031 -4.803 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.300 -3.889 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 45 17.158 -2.659 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 45 18.315 -3.413 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 45 17.997 -6.261 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 45 17.994 -5.885 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.630 -6.770 1.284 1.00 0.00 H new ATOM 715 N VAL A 46 14.135 -2.952 0.783 1.00 0.00 N ATOM 716 CA VAL A 46 13.488 -1.728 0.288 1.00 0.00 C ATOM 717 C VAL A 46 12.870 -0.892 1.412 1.00 0.00 C ATOM 718 O VAL A 46 13.126 0.309 1.510 1.00 0.00 O ATOM 719 CB VAL A 46 12.398 -2.054 -0.763 1.00 0.00 C ATOM 720 CG1 VAL A 46 11.615 -0.807 -1.148 1.00 0.00 C ATOM 721 CG2 VAL A 46 13.018 -2.684 -2.000 1.00 0.00 C ATOM 0 H VAL A 46 13.785 -3.809 0.355 1.00 0.00 H new ATOM 0 HA VAL A 46 14.279 -1.139 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 46 11.707 -2.767 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.857 -1.067 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.132 -0.393 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.294 -0.067 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.236 -2.906 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.736 -1.992 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.527 -3.607 -1.722 1.00 0.00 H new ATOM 731 N PHE A 47 12.082 -1.531 2.268 1.00 0.00 N ATOM 732 CA PHE A 47 11.361 -0.822 3.326 1.00 0.00 C ATOM 733 C PHE A 47 12.298 -0.375 4.447 1.00 0.00 C ATOM 734 O PHE A 47 11.858 0.205 5.438 1.00 0.00 O ATOM 735 CB PHE A 47 10.242 -1.697 3.904 1.00 0.00 C ATOM 736 CG PHE A 47 9.106 -1.957 2.953 1.00 0.00 C ATOM 737 CD1 PHE A 47 8.986 -1.244 1.772 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.150 -2.914 3.252 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.938 -1.480 0.907 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.099 -3.157 2.389 1.00 0.00 C ATOM 741 CZ PHE A 47 6.992 -2.439 1.216 1.00 0.00 C ATOM 0 H PHE A 47 11.924 -2.539 2.253 1.00 0.00 H new ATOM 0 HA PHE A 47 10.922 0.067 2.874 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.667 -2.652 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.848 -1.218 4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.722 -0.494 1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.227 -3.477 4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.857 -0.916 -0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.362 -3.908 2.632 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.170 -2.626 0.540 1.00 0.00 H new ATOM 751 N LYS A 48 13.588 -0.648 4.291 1.00 0.00 N ATOM 752 CA LYS A 48 14.583 -0.200 5.253 1.00 0.00 C ATOM 753 C LYS A 48 15.158 1.149 4.840 1.00 0.00 C ATOM 754 O LYS A 48 15.861 1.798 5.617 1.00 0.00 O ATOM 755 CB LYS A 48 15.707 -1.233 5.393 1.00 0.00 C ATOM 756 CG LYS A 48 15.256 -2.545 6.010 1.00 0.00 C ATOM 757 CD LYS A 48 14.808 -2.377 7.455 1.00 0.00 C ATOM 758 CE LYS A 48 15.981 -2.187 8.414 1.00 0.00 C ATOM 759 NZ LYS A 48 16.644 -0.861 8.275 1.00 0.00 N ATOM 0 H LYS A 48 13.968 -1.178 3.507 1.00 0.00 H new ATOM 0 HA LYS A 48 14.092 -0.089 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.131 -1.431 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.504 -0.809 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.436 -2.958 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.073 -3.265 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.141 -1.518 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.234 -3.253 7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.627 -2.303 9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.716 -2.973 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.907 -0.504 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.499 -0.960 7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.990 -0.192 7.821 1.00 0.00 H new ATOM 773 N ASP A 49 14.857 1.569 3.616 1.00 0.00 N ATOM 774 CA ASP A 49 15.296 2.872 3.132 1.00 0.00 C ATOM 775 C ASP A 49 14.620 3.974 3.933 1.00 0.00 C ATOM 776 O ASP A 49 13.390 4.008 4.044 1.00 0.00 O ATOM 777 CB ASP A 49 14.986 3.045 1.645 1.00 0.00 C ATOM 778 CG ASP A 49 15.389 4.414 1.135 1.00 0.00 C ATOM 779 OD1 ASP A 49 16.570 4.596 0.769 1.00 0.00 O ATOM 780 OD2 ASP A 49 14.534 5.315 1.100 1.00 0.00 O ATOM 0 H ASP A 49 14.313 1.028 2.944 1.00 0.00 H new ATOM 0 HA ASP A 49 16.376 2.936 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.509 2.278 1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.919 2.896 1.478 1.00 0.00 H new ATOM 785 N SER A 50 15.422 4.868 4.489 1.00 0.00 N ATOM 786 CA SER A 50 14.924 5.896 5.387 1.00 0.00 C ATOM 787 C SER A 50 14.075 6.929 4.646 1.00 0.00 C ATOM 788 O SER A 50 13.088 7.426 5.187 1.00 0.00 O ATOM 789 CB SER A 50 16.100 6.578 6.091 1.00 0.00 C ATOM 790 OG SER A 50 16.924 5.621 6.738 1.00 0.00 O ATOM 0 H SER A 50 16.429 4.901 4.332 1.00 0.00 H new ATOM 0 HA SER A 50 14.283 5.419 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.688 7.139 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.726 7.295 6.821 1.00 0.00 H new ATOM 0 HG SER A 50 17.670 6.077 7.180 1.00 0.00 H new ATOM 796 N LEU A 51 14.449 7.232 3.408 1.00 0.00 N ATOM 797 CA LEU A 51 13.765 8.254 2.627 1.00 0.00 C ATOM 798 C LEU A 51 12.360 7.805 2.240 1.00 0.00 C ATOM 799 O LEU A 51 11.382 8.512 2.488 1.00 0.00 O ATOM 800 CB LEU A 51 14.567 8.578 1.364 1.00 0.00 C ATOM 801 CG LEU A 51 15.978 9.124 1.597 1.00 0.00 C ATOM 802 CD1 LEU A 51 16.670 9.390 0.267 1.00 0.00 C ATOM 803 CD2 LEU A 51 15.927 10.391 2.438 1.00 0.00 C ATOM 0 H LEU A 51 15.225 6.782 2.923 1.00 0.00 H new ATOM 0 HA LEU A 51 13.683 9.148 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 51 14.642 7.673 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.007 9.306 0.777 1.00 0.00 H new ATOM 0 HG LEU A 51 16.554 8.375 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.672 9.778 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.738 8.462 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.096 10.121 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 51 16.939 10.765 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.336 11.147 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.470 10.169 3.402 1.00 0.00 H new ATOM 815 N VAL A 52 12.271 6.623 1.643 1.00 0.00 N ATOM 816 CA VAL A 52 10.998 6.082 1.181 1.00 0.00 C ATOM 817 C VAL A 52 10.043 5.853 2.344 1.00 0.00 C ATOM 818 O VAL A 52 8.867 6.215 2.265 1.00 0.00 O ATOM 819 CB VAL A 52 11.204 4.767 0.398 1.00 0.00 C ATOM 820 CG1 VAL A 52 9.875 4.099 0.066 1.00 0.00 C ATOM 821 CG2 VAL A 52 11.986 5.041 -0.873 1.00 0.00 C ATOM 0 H VAL A 52 13.072 6.016 1.466 1.00 0.00 H new ATOM 0 HA VAL A 52 10.555 6.819 0.511 1.00 0.00 H new ATOM 0 HB VAL A 52 11.769 4.082 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.059 3.177 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.342 3.870 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.272 4.772 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.128 4.109 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.435 5.747 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.958 5.464 -0.618 1.00 0.00 H new ATOM 831 N ALA A 53 10.557 5.279 3.424 1.00 0.00 N ATOM 832 CA ALA A 53 9.755 5.045 4.616 1.00 0.00 C ATOM 833 C ALA A 53 9.220 6.362 5.162 1.00 0.00 C ATOM 834 O ALA A 53 8.027 6.502 5.420 1.00 0.00 O ATOM 835 CB ALA A 53 10.580 4.329 5.674 1.00 0.00 C ATOM 0 H ALA A 53 11.525 4.967 3.498 1.00 0.00 H new ATOM 0 HA ALA A 53 8.909 4.412 4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.968 4.160 6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.922 3.371 5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.442 4.941 5.939 1.00 0.00 H new ATOM 841 N ASP A 54 10.113 7.332 5.299 1.00 0.00 N ATOM 842 CA ASP A 54 9.761 8.645 5.835 1.00 0.00 C ATOM 843 C ASP A 54 8.705 9.331 4.967 1.00 0.00 C ATOM 844 O ASP A 54 7.809 10.009 5.475 1.00 0.00 O ATOM 845 CB ASP A 54 11.023 9.509 5.933 1.00 0.00 C ATOM 846 CG ASP A 54 10.750 10.920 6.398 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.523 11.122 7.610 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.783 11.841 5.555 1.00 0.00 O ATOM 0 H ASP A 54 11.096 7.235 5.045 1.00 0.00 H new ATOM 0 HA ASP A 54 9.334 8.515 6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.725 9.037 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.507 9.543 4.957 1.00 0.00 H new ATOM 853 N TYR A 55 8.810 9.136 3.657 1.00 0.00 N ATOM 854 CA TYR A 55 7.861 9.714 2.715 1.00 0.00 C ATOM 855 C TYR A 55 6.467 9.122 2.906 1.00 0.00 C ATOM 856 O TYR A 55 5.513 9.848 3.186 1.00 0.00 O ATOM 857 CB TYR A 55 8.336 9.488 1.274 1.00 0.00 C ATOM 858 CG TYR A 55 7.371 9.992 0.218 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.273 11.345 -0.072 1.00 0.00 C ATOM 860 CD2 TYR A 55 6.556 9.110 -0.486 1.00 0.00 C ATOM 861 CE1 TYR A 55 6.392 11.807 -1.031 1.00 0.00 C ATOM 862 CE2 TYR A 55 5.673 9.566 -1.448 1.00 0.00 C ATOM 863 CZ TYR A 55 5.596 10.915 -1.716 1.00 0.00 C ATOM 864 OH TYR A 55 4.719 11.377 -2.673 1.00 0.00 O ATOM 0 H TYR A 55 9.546 8.580 3.223 1.00 0.00 H new ATOM 0 HA TYR A 55 7.806 10.785 2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.298 9.983 1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.502 8.422 1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.895 12.049 0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.614 8.052 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.328 12.864 -1.243 1.00 0.00 H new ATOM 0 HE2 TYR A 55 5.048 8.869 -1.986 1.00 0.00 H new ATOM 0 HH TYR A 55 4.233 10.621 -3.063 1.00 0.00 H new ATOM 874 N PHE A 56 6.355 7.806 2.757 1.00 0.00 N ATOM 875 CA PHE A 56 5.063 7.128 2.853 1.00 0.00 C ATOM 876 C PHE A 56 4.453 7.235 4.248 1.00 0.00 C ATOM 877 O PHE A 56 3.232 7.252 4.391 1.00 0.00 O ATOM 878 CB PHE A 56 5.195 5.658 2.452 1.00 0.00 C ATOM 879 CG PHE A 56 5.209 5.437 0.965 1.00 0.00 C ATOM 880 CD1 PHE A 56 4.028 5.464 0.239 1.00 0.00 C ATOM 881 CD2 PHE A 56 6.396 5.203 0.295 1.00 0.00 C ATOM 882 CE1 PHE A 56 4.034 5.262 -1.128 1.00 0.00 C ATOM 883 CE2 PHE A 56 6.408 5.000 -1.071 1.00 0.00 C ATOM 884 CZ PHE A 56 5.225 5.030 -1.785 1.00 0.00 C ATOM 0 H PHE A 56 7.143 7.186 2.569 1.00 0.00 H new ATOM 0 HA PHE A 56 4.389 7.633 2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.113 5.255 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.368 5.096 2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.093 5.645 0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.324 5.179 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.107 5.286 -1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.342 4.818 -1.581 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.233 4.872 -2.853 1.00 0.00 H new ATOM 894 N ASN A 57 5.295 7.301 5.271 1.00 0.00 N ATOM 895 CA ASN A 57 4.819 7.390 6.648 1.00 0.00 C ATOM 896 C ASN A 57 4.225 8.759 6.960 1.00 0.00 C ATOM 897 O ASN A 57 3.174 8.853 7.591 1.00 0.00 O ATOM 898 CB ASN A 57 5.955 7.086 7.629 1.00 0.00 C ATOM 899 CG ASN A 57 6.183 5.599 7.839 1.00 0.00 C ATOM 900 OD1 ASN A 57 5.848 4.777 6.987 1.00 0.00 O ATOM 901 ND2 ASN A 57 6.770 5.245 8.975 1.00 0.00 N ATOM 0 H ASN A 57 6.310 7.295 5.175 1.00 0.00 H new ATOM 0 HA ASN A 57 4.030 6.647 6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.875 7.540 7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.732 7.552 8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.958 4.261 9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.033 5.957 9.657 1.00 0.00 H new ATOM 908 N ARG A 58 4.896 9.823 6.537 1.00 0.00 N ATOM 909 CA ARG A 58 4.451 11.168 6.886 1.00 0.00 C ATOM 910 C ARG A 58 3.465 11.737 5.864 1.00 0.00 C ATOM 911 O ARG A 58 2.548 12.473 6.225 1.00 0.00 O ATOM 912 CB ARG A 58 5.643 12.110 7.025 1.00 0.00 C ATOM 913 CG ARG A 58 5.281 13.465 7.622 1.00 0.00 C ATOM 914 CD ARG A 58 6.504 14.352 7.779 1.00 0.00 C ATOM 915 NE ARG A 58 7.037 14.788 6.492 1.00 0.00 N ATOM 916 CZ ARG A 58 8.074 14.218 5.885 1.00 0.00 C ATOM 917 NH1 ARG A 58 8.664 13.163 6.429 1.00 0.00 N ATOM 918 NH2 ARG A 58 8.521 14.705 4.739 1.00 0.00 N ATOM 0 H ARG A 58 5.737 9.784 5.961 1.00 0.00 H new ATOM 0 HA ARG A 58 3.933 11.089 7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.399 11.636 7.651 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.092 12.263 6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.551 13.961 6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.809 13.321 8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.243 15.225 8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.276 13.810 8.326 1.00 0.00 H new ATOM 0 HE ARG A 58 6.587 15.578 6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.323 12.788 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.459 12.727 5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.070 15.518 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.316 14.267 4.274 1.00 0.00 H new ATOM 932 N HIS A 59 3.654 11.407 4.594 1.00 0.00 N ATOM 933 CA HIS A 59 2.854 12.014 3.532 1.00 0.00 C ATOM 934 C HIS A 59 1.576 11.240 3.259 1.00 0.00 C ATOM 935 O HIS A 59 0.704 11.730 2.549 1.00 0.00 O ATOM 936 CB HIS A 59 3.656 12.141 2.236 1.00 0.00 C ATOM 937 CG HIS A 59 4.699 13.217 2.262 1.00 0.00 C ATOM 938 ND1 HIS A 59 4.435 14.523 1.925 1.00 0.00 N ATOM 939 CD2 HIS A 59 6.021 13.167 2.555 1.00 0.00 C ATOM 940 CE1 HIS A 59 5.546 15.229 2.005 1.00 0.00 C ATOM 941 NE2 HIS A 59 6.526 14.432 2.383 1.00 0.00 N ATOM 0 H HIS A 59 4.346 10.730 4.273 1.00 0.00 H new ATOM 0 HA HIS A 59 2.582 13.008 3.887 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.139 11.187 2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.968 12.337 1.414 1.00 0.00 H new ATOM 0 HD1 HIS A 59 3.522 14.889 1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.575 12.294 2.866 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.638 16.285 1.796 1.00 0.00 H new ATOM 950 N PHE A 60 1.474 10.031 3.796 1.00 0.00 N ATOM 951 CA PHE A 60 0.276 9.214 3.619 1.00 0.00 C ATOM 952 C PHE A 60 0.062 8.346 4.855 1.00 0.00 C ATOM 953 O PHE A 60 0.880 8.354 5.777 1.00 0.00 O ATOM 954 CB PHE A 60 0.397 8.303 2.384 1.00 0.00 C ATOM 955 CG PHE A 60 0.648 9.034 1.097 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.381 9.691 0.441 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.919 9.068 0.543 1.00 0.00 C ATOM 958 CE1 PHE A 60 -0.148 10.366 -0.740 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.156 9.742 -0.640 1.00 0.00 C ATOM 960 CZ PHE A 60 1.121 10.392 -1.282 1.00 0.00 C ATOM 0 H PHE A 60 2.204 9.593 4.357 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.570 9.885 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.208 7.593 2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.520 7.722 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.377 9.675 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.733 8.562 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.959 10.874 -1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.150 9.760 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.304 10.920 -2.206 1.00 0.00 H new ATOM 970 N VAL A 61 -1.033 7.605 4.878 1.00 0.00 N ATOM 971 CA VAL A 61 -1.257 6.609 5.917 1.00 0.00 C ATOM 972 C VAL A 61 -1.193 5.213 5.317 1.00 0.00 C ATOM 973 O VAL A 61 -2.000 4.865 4.456 1.00 0.00 O ATOM 974 CB VAL A 61 -2.615 6.796 6.629 1.00 0.00 C ATOM 975 CG1 VAL A 61 -2.865 5.663 7.611 1.00 0.00 C ATOM 976 CG2 VAL A 61 -2.666 8.132 7.351 1.00 0.00 C ATOM 0 H VAL A 61 -1.782 7.673 4.189 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.471 6.739 6.661 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.398 6.781 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.826 5.813 8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.875 4.713 7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.073 5.649 8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.631 8.242 7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.871 8.174 8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.533 8.940 6.631 1.00 0.00 H new ATOM 986 N ASN A 62 -0.233 4.420 5.768 1.00 0.00 N ATOM 987 CA ASN A 62 -0.031 3.083 5.224 1.00 0.00 C ATOM 988 C ASN A 62 -0.704 2.017 6.089 1.00 0.00 C ATOM 989 O ASN A 62 -0.577 2.009 7.314 1.00 0.00 O ATOM 990 CB ASN A 62 1.465 2.777 5.049 1.00 0.00 C ATOM 991 CG ASN A 62 2.289 3.085 6.282 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.429 2.254 7.175 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.851 4.285 6.338 1.00 0.00 N ATOM 0 H ASN A 62 0.419 4.678 6.509 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.501 3.058 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.586 1.724 4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.851 3.355 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.422 4.544 7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.712 4.949 5.577 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.428 1.127 5.424 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.184 0.065 6.079 1.00 0.00 C ATOM 1002 C LEU A 63 -1.987 -1.246 5.326 1.00 0.00 C ATOM 1003 O LEU A 63 -2.154 -1.291 4.110 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.675 0.427 6.091 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.617 -0.658 6.615 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -4.597 -0.705 8.131 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.029 -0.432 6.102 1.00 0.00 C ATOM 0 H LEU A 63 -1.509 1.121 4.407 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.829 -0.049 7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.808 1.322 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.976 0.684 5.075 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.267 -1.621 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.275 -1.484 8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.586 -0.923 8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.916 0.258 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.685 -1.214 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.388 0.540 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.029 -0.460 5.012 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.638 -2.307 6.040 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.451 -3.607 5.408 1.00 0.00 C ATOM 1021 C LYS A 64 -2.715 -4.452 5.537 1.00 0.00 C ATOM 1022 O LYS A 64 -3.487 -4.287 6.484 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.225 -4.342 5.991 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.216 -4.489 7.513 1.00 0.00 C ATOM 1025 CD LYS A 64 -1.145 -5.592 7.998 1.00 0.00 C ATOM 1026 CE LYS A 64 -0.719 -6.960 7.487 1.00 0.00 C ATOM 1027 NZ LYS A 64 -1.665 -8.023 7.912 1.00 0.00 N ATOM 0 H LYS A 64 -1.480 -2.295 7.048 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.259 -3.444 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.172 -5.336 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.676 -3.808 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.799 -4.700 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.512 -3.544 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.160 -5.600 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.162 -5.382 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.659 -6.940 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.280 -7.192 7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.150 -8.755 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.401 -7.610 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.107 -8.450 7.073 1.00 0.00 H new ATOM 1041 N MET A 65 -2.937 -5.333 4.576 1.00 0.00 N ATOM 1042 CA MET A 65 -4.106 -6.197 4.596 1.00 0.00 C ATOM 1043 C MET A 65 -3.804 -7.532 3.931 1.00 0.00 C ATOM 1044 O MET A 65 -3.283 -7.578 2.817 1.00 0.00 O ATOM 1045 CB MET A 65 -5.281 -5.512 3.893 1.00 0.00 C ATOM 1046 CG MET A 65 -6.557 -6.337 3.888 1.00 0.00 C ATOM 1047 SD MET A 65 -7.928 -5.486 3.082 1.00 0.00 S ATOM 1048 CE MET A 65 -8.128 -4.070 4.159 1.00 0.00 C ATOM 0 H MET A 65 -2.324 -5.469 3.772 1.00 0.00 H new ATOM 0 HA MET A 65 -4.375 -6.385 5.636 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.478 -4.558 4.381 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.998 -5.291 2.864 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.372 -7.283 3.379 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.835 -6.576 4.914 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.130 -3.658 4.036 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.987 -4.378 5.195 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.389 -3.311 3.903 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.104 -8.615 4.635 1.00 0.00 N ATOM 1059 CA ASP A 66 -3.997 -9.947 4.066 1.00 0.00 C ATOM 1060 C ASP A 66 -5.093 -10.153 3.034 1.00 0.00 C ATOM 1061 O ASP A 66 -6.136 -9.508 3.091 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.117 -11.023 5.143 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.021 -10.957 6.187 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -3.195 -10.238 7.195 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -1.982 -11.631 6.016 1.00 0.00 O ATOM 0 H ASP A 66 -4.424 -8.595 5.603 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.017 -10.033 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.084 -10.926 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.098 -12.004 4.669 1.00 0.00 H new ATOM 1070 N MET A 67 -4.872 -11.055 2.097 1.00 0.00 N ATOM 1071 CA MET A 67 -5.839 -11.277 1.038 1.00 0.00 C ATOM 1072 C MET A 67 -6.785 -12.415 1.402 1.00 0.00 C ATOM 1073 O MET A 67 -7.786 -12.654 0.725 1.00 0.00 O ATOM 1074 CB MET A 67 -5.126 -11.578 -0.274 1.00 0.00 C ATOM 1075 CG MET A 67 -6.019 -11.417 -1.496 1.00 0.00 C ATOM 1076 SD MET A 67 -5.163 -11.746 -3.049 1.00 0.00 S ATOM 1077 CE MET A 67 -3.929 -10.444 -3.036 1.00 0.00 C ATOM 0 H MET A 67 -4.039 -11.642 2.047 1.00 0.00 H new ATOM 0 HA MET A 67 -6.429 -10.369 0.915 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.266 -10.916 -0.372 1.00 0.00 H new ATOM 0 HB3 MET A 67 -4.742 -12.598 -0.245 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.870 -12.092 -1.408 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.417 -10.403 -1.516 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.705 -10.145 -4.060 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.311 -9.586 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.020 -10.809 -2.558 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.478 -13.103 2.491 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.301 -14.217 2.938 1.00 0.00 C ATOM 1089 C GLU A 68 -7.943 -13.896 4.280 1.00 0.00 C ATOM 1090 O GLU A 68 -8.457 -14.777 4.968 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.470 -15.497 3.022 1.00 0.00 C ATOM 1092 CG GLU A 68 -5.872 -15.900 1.687 1.00 0.00 C ATOM 1093 CD GLU A 68 -5.180 -17.246 1.728 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -3.976 -17.292 2.055 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -5.828 -18.270 1.418 1.00 0.00 O ATOM 0 H GLU A 68 -5.668 -12.911 3.080 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.096 -14.378 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.668 -15.357 3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.097 -16.308 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.661 -15.927 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.157 -15.140 1.372 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.918 -12.616 4.627 1.00 0.00 N ATOM 1103 CA LYS A 69 -8.569 -12.110 5.831 1.00 0.00 C ATOM 1104 C LYS A 69 -9.026 -10.673 5.621 1.00 0.00 C ATOM 1105 O LYS A 69 -8.442 -9.948 4.818 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.627 -12.162 7.041 1.00 0.00 C ATOM 1107 CG LYS A 69 -7.590 -13.503 7.757 1.00 0.00 C ATOM 1108 CD LYS A 69 -6.797 -13.409 9.049 1.00 0.00 C ATOM 1109 CE LYS A 69 -6.904 -14.685 9.864 1.00 0.00 C ATOM 1110 NZ LYS A 69 -6.246 -14.551 11.190 1.00 0.00 N ATOM 0 H LYS A 69 -7.445 -11.896 4.081 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.430 -12.748 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.618 -11.913 6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.928 -11.393 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.606 -13.832 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.143 -14.255 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.750 -13.209 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.160 -12.568 9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.955 -14.940 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.447 -15.507 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.341 -15.443 11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.238 -14.333 11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.698 -13.783 11.726 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.081 -10.282 6.327 1.00 0.00 N ATOM 1125 CA GLY A 70 -10.511 -8.893 6.342 1.00 0.00 C ATOM 1126 C GLY A 70 -10.974 -8.380 4.991 1.00 0.00 C ATOM 1127 O GLY A 70 -10.579 -7.291 4.578 1.00 0.00 O ATOM 0 H GLY A 70 -10.652 -10.908 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.323 -8.782 7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.688 -8.271 6.693 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.812 -9.164 4.311 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.398 -8.772 3.023 1.00 0.00 C ATOM 1133 C GLU A 71 -11.348 -8.696 1.914 1.00 0.00 C ATOM 1134 O GLU A 71 -11.606 -8.140 0.844 1.00 0.00 O ATOM 1135 CB GLU A 71 -13.129 -7.430 3.141 1.00 0.00 C ATOM 1136 CG GLU A 71 -14.268 -7.443 4.143 1.00 0.00 C ATOM 1137 CD GLU A 71 -14.842 -6.063 4.377 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -14.246 -5.295 5.162 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -15.888 -5.738 3.783 1.00 0.00 O ATOM 0 H GLU A 71 -12.104 -10.086 4.634 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.115 -9.547 2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.413 -6.660 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.521 -7.152 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.056 -8.106 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.912 -7.851 5.089 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.179 -9.281 2.159 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.126 -9.301 1.157 1.00 0.00 C ATOM 1148 C GLY A 72 -9.552 -10.025 -0.106 1.00 0.00 C ATOM 1149 O GLY A 72 -9.138 -9.669 -1.211 1.00 0.00 O ATOM 0 H GLY A 72 -9.941 -9.743 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.843 -8.278 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.242 -9.785 1.571 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.395 -11.039 0.058 1.00 0.00 N ATOM 1154 CA VAL A 73 -10.926 -11.791 -1.069 1.00 0.00 C ATOM 1155 C VAL A 73 -11.845 -10.908 -1.917 1.00 0.00 C ATOM 1156 O VAL A 73 -11.901 -11.043 -3.142 1.00 0.00 O ATOM 1157 CB VAL A 73 -11.684 -13.055 -0.593 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -12.831 -12.695 0.341 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -12.190 -13.865 -1.778 1.00 0.00 C ATOM 0 H VAL A 73 -10.726 -11.359 0.968 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.084 -12.113 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.979 -13.670 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.342 -13.604 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.439 -12.177 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.534 -12.046 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.719 -14.747 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.868 -13.254 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.346 -14.175 -2.394 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.537 -9.985 -1.259 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.411 -9.055 -1.950 1.00 0.00 C ATOM 1171 C GLU A 74 -12.599 -8.095 -2.803 1.00 0.00 C ATOM 1172 O GLU A 74 -12.955 -7.825 -3.947 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.274 -8.275 -0.957 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.388 -9.101 -0.342 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.348 -9.637 -1.384 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -16.981 -8.825 -2.093 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.458 -10.874 -1.515 1.00 0.00 O ATOM 0 H GLU A 74 -12.507 -9.864 -0.247 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.070 -9.632 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.638 -7.888 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.709 -7.414 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.956 -9.934 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.937 -8.490 0.375 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.501 -7.594 -2.247 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.625 -6.682 -2.973 1.00 0.00 C ATOM 1186 C LEU A 75 -9.955 -7.398 -4.139 1.00 0.00 C ATOM 1187 O LEU A 75 -9.723 -6.805 -5.193 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.570 -6.084 -2.039 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.122 -5.240 -0.888 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -8.988 -4.644 -0.074 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -11.032 -4.143 -1.418 1.00 0.00 C ATOM 0 H LEU A 75 -11.197 -7.804 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.234 -5.869 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.976 -6.896 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.893 -5.466 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.709 -5.888 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.399 -4.047 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.375 -5.446 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.374 -4.010 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.415 -3.554 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.469 -3.497 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.866 -4.591 -1.958 1.00 0.00 H new ATOM 1203 N ARG A 76 -9.663 -8.680 -3.946 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.092 -9.513 -4.998 1.00 0.00 C ATOM 1205 C ARG A 76 -9.974 -9.480 -6.245 1.00 0.00 C ATOM 1206 O ARG A 76 -9.495 -9.232 -7.352 1.00 0.00 O ATOM 1207 CB ARG A 76 -8.947 -10.952 -4.502 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.354 -11.901 -5.528 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.421 -13.343 -5.057 1.00 0.00 C ATOM 1210 NE ARG A 76 -7.603 -13.585 -3.865 1.00 0.00 N ATOM 1211 CZ ARG A 76 -7.914 -14.473 -2.919 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -9.057 -15.147 -2.981 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -7.090 -14.680 -1.899 1.00 0.00 N ATOM 0 H ARG A 76 -9.814 -9.168 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.108 -9.121 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.319 -10.957 -3.611 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.927 -11.323 -4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.891 -11.800 -6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.316 -11.628 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.457 -13.603 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.088 -14.000 -5.861 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.746 -13.043 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.702 -14.987 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.289 -15.825 -2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.215 -14.159 -1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.332 -15.360 -1.178 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.264 -9.714 -6.048 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.225 -9.696 -7.144 1.00 0.00 C ATOM 1229 C LYS A 77 -12.510 -8.269 -7.597 1.00 0.00 C ATOM 1230 O LYS A 77 -12.765 -8.019 -8.774 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.528 -10.371 -6.713 1.00 0.00 C ATOM 1232 CG LYS A 77 -13.451 -11.887 -6.669 1.00 0.00 C ATOM 1233 CD LYS A 77 -13.201 -12.455 -8.051 1.00 0.00 C ATOM 1234 CE LYS A 77 -13.321 -13.967 -8.071 1.00 0.00 C ATOM 1235 NZ LYS A 77 -13.079 -14.519 -9.430 1.00 0.00 N ATOM 0 H LYS A 77 -11.671 -9.919 -5.136 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.793 -10.245 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.807 -10.002 -5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.322 -10.077 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.652 -12.195 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.380 -12.291 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.914 -12.025 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.206 -12.165 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.606 -14.398 -7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.315 -14.258 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.169 -15.555 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.777 -14.126 -10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.121 -14.263 -9.743 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.452 -7.342 -6.653 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.769 -5.945 -6.918 1.00 0.00 C ATOM 1251 C LYS A 78 -11.816 -5.347 -7.949 1.00 0.00 C ATOM 1252 O LYS A 78 -12.244 -4.729 -8.922 1.00 0.00 O ATOM 1253 CB LYS A 78 -12.712 -5.145 -5.616 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.077 -3.678 -5.770 1.00 0.00 C ATOM 1255 CD LYS A 78 -13.126 -2.978 -4.421 1.00 0.00 C ATOM 1256 CE LYS A 78 -13.558 -1.525 -4.550 1.00 0.00 C ATOM 1257 NZ LYS A 78 -14.954 -1.399 -5.045 1.00 0.00 N ATOM 0 H LYS A 78 -12.186 -7.534 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.778 -5.895 -7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.387 -5.602 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.706 -5.216 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.347 -3.185 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.045 -3.591 -6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.817 -3.505 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.143 -3.024 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.472 -1.034 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.884 -1.006 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.277 -0.418 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.990 -1.656 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.573 -2.035 -4.503 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.527 -5.546 -7.739 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.522 -4.960 -8.612 1.00 0.00 C ATOM 1273 C TYR A 79 -9.074 -5.946 -9.685 1.00 0.00 C ATOM 1274 O TYR A 79 -8.289 -5.594 -10.570 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.325 -4.484 -7.789 1.00 0.00 C ATOM 1276 CG TYR A 79 -8.689 -3.427 -6.770 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -8.813 -2.094 -7.140 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -8.919 -3.761 -5.443 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -9.151 -1.127 -6.216 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.259 -2.800 -4.513 1.00 0.00 C ATOM 1281 CZ TYR A 79 -9.373 -1.484 -4.903 1.00 0.00 C ATOM 1282 OH TYR A 79 -9.712 -0.525 -3.981 1.00 0.00 O ATOM 0 H TYR A 79 -10.151 -6.107 -6.975 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.970 -4.104 -9.116 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.882 -5.338 -7.276 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.565 -4.086 -8.461 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.642 -1.810 -8.168 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.830 -4.792 -5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.241 -0.095 -6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.435 -3.078 -3.484 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.834 -0.944 -3.103 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.586 -7.174 -9.606 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.242 -8.199 -10.578 1.00 0.00 C ATOM 1294 C GLY A 80 -7.749 -8.436 -10.656 1.00 0.00 C ATOM 1295 O GLY A 80 -7.160 -8.406 -11.738 1.00 0.00 O ATOM 0 H GLY A 80 -10.237 -7.477 -8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.743 -9.130 -10.314 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.613 -7.905 -11.560 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.140 -8.663 -9.504 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.696 -8.828 -9.421 1.00 0.00 C ATOM 1301 C VAL A 81 -5.250 -10.155 -10.039 1.00 0.00 C ATOM 1302 O VAL A 81 -5.863 -11.202 -9.812 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.196 -8.728 -7.959 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -5.840 -9.790 -7.081 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -3.681 -8.830 -7.901 1.00 0.00 C ATOM 0 H VAL A 81 -7.624 -8.738 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.250 -8.014 -9.992 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.491 -7.752 -7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.468 -9.693 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.922 -9.660 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.592 -10.779 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.351 -8.757 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.365 -9.787 -8.316 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.239 -8.019 -8.480 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.200 -10.095 -10.850 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.647 -11.288 -11.481 1.00 0.00 C ATOM 1317 C HIS A 82 -2.279 -11.628 -10.895 1.00 0.00 C ATOM 1318 O HIS A 82 -1.706 -12.676 -11.197 1.00 0.00 O ATOM 1319 CB HIS A 82 -3.524 -11.088 -12.994 1.00 0.00 C ATOM 1320 CG HIS A 82 -4.839 -10.910 -13.691 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -5.395 -9.677 -13.964 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -5.705 -11.825 -14.182 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -6.544 -9.845 -14.591 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -6.756 -11.139 -14.735 1.00 0.00 N ATOM 0 H HIS A 82 -3.713 -9.230 -11.087 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.328 -12.116 -11.285 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.901 -10.215 -13.186 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.009 -11.947 -13.424 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.590 -12.898 -14.145 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.200 -9.056 -14.929 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.569 -11.561 -15.184 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.766 -10.744 -10.050 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.440 -10.918 -9.473 1.00 0.00 C ATOM 1335 C ALA A 83 -0.529 -11.233 -7.983 1.00 0.00 C ATOM 1336 O ALA A 83 -1.621 -11.374 -7.436 1.00 0.00 O ATOM 1337 CB ALA A 83 0.399 -9.673 -9.706 1.00 0.00 C ATOM 0 H ALA A 83 -2.249 -9.898 -9.748 1.00 0.00 H new ATOM 0 HA ALA A 83 0.041 -11.763 -9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.388 -9.814 -9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.496 -9.495 -10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.085 -8.816 -9.238 1.00 0.00 H new ATOM 1343 N TYR A 84 0.624 -11.337 -7.337 1.00 0.00 N ATOM 1344 CA TYR A 84 0.687 -11.681 -5.919 1.00 0.00 C ATOM 1345 C TYR A 84 0.716 -10.441 -5.011 1.00 0.00 C ATOM 1346 O TYR A 84 0.009 -10.403 -3.999 1.00 0.00 O ATOM 1347 CB TYR A 84 1.899 -12.569 -5.637 1.00 0.00 C ATOM 1348 CG TYR A 84 1.826 -13.920 -6.323 1.00 0.00 C ATOM 1349 CD1 TYR A 84 1.036 -14.941 -5.806 1.00 0.00 C ATOM 1350 CD2 TYR A 84 2.538 -14.172 -7.489 1.00 0.00 C ATOM 1351 CE1 TYR A 84 0.961 -16.172 -6.427 1.00 0.00 C ATOM 1352 CE2 TYR A 84 2.466 -15.403 -8.116 1.00 0.00 C ATOM 1353 CZ TYR A 84 1.676 -16.398 -7.581 1.00 0.00 C ATOM 1354 OH TYR A 84 1.607 -17.626 -8.198 1.00 0.00 O ATOM 0 H TYR A 84 1.534 -11.188 -7.773 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.226 -12.229 -5.686 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.802 -12.053 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.988 -12.720 -4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.471 -14.768 -4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.157 -13.395 -7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.344 -16.954 -6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.027 -15.584 -9.021 1.00 0.00 H new ATOM 0 HH TYR A 84 2.169 -17.621 -9.001 1.00 0.00 H new ATOM 1364 N PRO A 85 1.561 -9.427 -5.309 1.00 0.00 N ATOM 1365 CA PRO A 85 1.549 -8.176 -4.570 1.00 0.00 C ATOM 1366 C PRO A 85 0.640 -7.132 -5.220 1.00 0.00 C ATOM 1367 O PRO A 85 0.480 -7.108 -6.444 1.00 0.00 O ATOM 1368 CB PRO A 85 3.009 -7.742 -4.638 1.00 0.00 C ATOM 1369 CG PRO A 85 3.497 -8.249 -5.957 1.00 0.00 C ATOM 1370 CD PRO A 85 2.622 -9.425 -6.334 1.00 0.00 C ATOM 0 HA PRO A 85 1.164 -8.286 -3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.103 -6.658 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.586 -8.163 -3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.440 -7.468 -6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.542 -8.552 -5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.208 -9.309 -7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.184 -10.359 -6.327 1.00 0.00 H new ATOM 1378 N THR A 86 0.024 -6.285 -4.407 1.00 0.00 N ATOM 1379 CA THR A 86 -0.836 -5.229 -4.921 1.00 0.00 C ATOM 1380 C THR A 86 -0.859 -4.032 -3.976 1.00 0.00 C ATOM 1381 O THR A 86 -1.098 -4.181 -2.778 1.00 0.00 O ATOM 1382 CB THR A 86 -2.280 -5.735 -5.122 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.266 -6.952 -5.871 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.126 -4.701 -5.855 1.00 0.00 C ATOM 0 H THR A 86 0.104 -6.309 -3.390 1.00 0.00 H new ATOM 0 HA THR A 86 -0.425 -4.922 -5.883 1.00 0.00 H new ATOM 0 HB THR A 86 -2.718 -5.909 -4.139 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.324 -6.748 -6.828 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.138 -5.084 -5.983 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.157 -3.779 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.688 -4.500 -6.833 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.604 -2.850 -4.516 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.660 -1.625 -3.736 1.00 0.00 C ATOM 1394 C LEU A 87 -1.873 -0.801 -4.151 1.00 0.00 C ATOM 1395 O LEU A 87 -2.107 -0.571 -5.338 1.00 0.00 O ATOM 1396 CB LEU A 87 0.624 -0.813 -3.918 1.00 0.00 C ATOM 1397 CG LEU A 87 1.910 -1.530 -3.495 1.00 0.00 C ATOM 1398 CD1 LEU A 87 3.120 -0.642 -3.723 1.00 0.00 C ATOM 1399 CD2 LEU A 87 1.833 -1.954 -2.036 1.00 0.00 C ATOM 0 H LEU A 87 -0.355 -2.714 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.753 -1.885 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.712 -0.531 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.536 0.111 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 87 2.017 -2.424 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.022 -1.171 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.191 -0.388 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.017 0.271 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.756 -2.461 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.698 -1.074 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.990 -2.631 -1.898 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.646 -0.364 -3.175 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.888 0.350 -3.447 1.00 0.00 C ATOM 1413 C LEU A 88 -3.823 1.770 -2.911 1.00 0.00 C ATOM 1414 O LEU A 88 -3.297 2.008 -1.824 1.00 0.00 O ATOM 1415 CB LEU A 88 -5.099 -0.366 -2.827 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.484 -1.719 -3.444 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -5.559 -1.622 -4.959 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -4.520 -2.815 -3.013 1.00 0.00 C ATOM 0 H LEU A 88 -2.439 -0.489 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.011 0.374 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.899 -0.519 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.960 0.298 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.474 -1.985 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.833 -2.592 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.309 -0.883 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.588 -1.321 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.818 -3.761 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.511 -2.560 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.539 -2.910 -1.927 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.354 2.709 -3.680 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.428 4.093 -3.248 1.00 0.00 C ATOM 1432 C PHE A 89 -5.890 4.503 -3.089 1.00 0.00 C ATOM 1433 O PHE A 89 -6.602 4.696 -4.077 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.730 5.010 -4.258 1.00 0.00 C ATOM 1435 CG PHE A 89 -2.352 4.549 -4.644 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -1.296 4.644 -3.752 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -2.116 4.009 -5.898 1.00 0.00 C ATOM 1438 CE1 PHE A 89 -0.032 4.213 -4.108 1.00 0.00 C ATOM 1439 CE2 PHE A 89 -0.857 3.575 -6.257 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.187 3.676 -5.361 1.00 0.00 C ATOM 0 H PHE A 89 -4.740 2.535 -4.608 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.920 4.190 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.344 5.081 -5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.663 6.014 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.462 5.059 -2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.929 3.927 -6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.784 4.296 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.689 3.157 -7.238 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.174 3.336 -5.639 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.332 4.624 -1.849 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.716 4.970 -1.559 1.00 0.00 C ATOM 1452 C ILE A 90 -7.812 6.439 -1.168 1.00 0.00 C ATOM 1453 O ILE A 90 -6.983 6.940 -0.405 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.288 4.097 -0.415 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.143 2.606 -0.744 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.749 4.438 -0.146 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.896 2.172 -1.985 1.00 0.00 C ATOM 0 H ILE A 90 -5.751 4.487 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.302 4.786 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.714 4.311 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.086 2.374 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.496 2.021 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.126 3.811 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.831 5.487 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.336 4.261 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.743 1.105 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.960 2.370 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.528 2.728 -2.847 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.809 7.128 -1.698 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.975 8.546 -1.421 1.00 0.00 C ATOM 1471 C ASN A 91 -9.874 8.763 -0.210 1.00 0.00 C ATOM 1472 O ASN A 91 -10.392 7.810 0.374 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.523 9.284 -2.653 1.00 0.00 C ATOM 1474 CG ASN A 91 -10.886 8.787 -3.113 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -11.709 8.334 -2.319 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -11.131 8.864 -4.410 1.00 0.00 N ATOM 0 H ASN A 91 -9.513 6.731 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.994 8.961 -1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.593 10.348 -2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.813 9.179 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.025 8.542 -4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.426 9.245 -5.040 1.00 0.00 H new ATOM 1483 N SER A 92 -10.075 10.023 0.149 1.00 0.00 N ATOM 1484 CA SER A 92 -10.835 10.371 1.339 1.00 0.00 C ATOM 1485 C SER A 92 -12.336 10.191 1.099 1.00 0.00 C ATOM 1486 O SER A 92 -13.134 10.183 2.039 1.00 0.00 O ATOM 1487 CB SER A 92 -10.520 11.814 1.743 1.00 0.00 C ATOM 1488 OG SER A 92 -10.940 12.090 3.070 1.00 0.00 O ATOM 0 H SER A 92 -9.719 10.825 -0.371 1.00 0.00 H new ATOM 0 HA SER A 92 -10.547 9.703 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.448 11.991 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.013 12.501 1.055 1.00 0.00 H new ATOM 0 HG SER A 92 -11.704 12.703 3.050 1.00 0.00 H new ATOM 1494 N SER A 93 -12.712 10.046 -0.166 1.00 0.00 N ATOM 1495 CA SER A 93 -14.098 9.815 -0.536 1.00 0.00 C ATOM 1496 C SER A 93 -14.510 8.381 -0.196 1.00 0.00 C ATOM 1497 O SER A 93 -15.695 8.079 -0.042 1.00 0.00 O ATOM 1498 CB SER A 93 -14.286 10.086 -2.035 1.00 0.00 C ATOM 1499 OG SER A 93 -15.635 9.919 -2.439 1.00 0.00 O ATOM 0 H SER A 93 -12.069 10.085 -0.957 1.00 0.00 H new ATOM 0 HA SER A 93 -14.734 10.496 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.962 11.101 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.650 9.412 -2.608 1.00 0.00 H new ATOM 0 HG SER A 93 -15.675 9.300 -3.197 1.00 0.00 H new ATOM 1505 N GLY A 94 -13.522 7.505 -0.067 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.798 6.121 0.252 1.00 0.00 C ATOM 1507 C GLY A 94 -13.820 5.245 -0.981 1.00 0.00 C ATOM 1508 O GLY A 94 -14.539 4.248 -1.035 1.00 0.00 O ATOM 0 H GLY A 94 -12.533 7.730 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.042 5.752 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.759 6.052 0.762 1.00 0.00 H new ATOM 1512 N GLU A 95 -13.043 5.628 -1.978 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.948 4.870 -3.213 1.00 0.00 C ATOM 1514 C GLU A 95 -11.512 4.900 -3.723 1.00 0.00 C ATOM 1515 O GLU A 95 -10.690 5.675 -3.227 1.00 0.00 O ATOM 1516 CB GLU A 95 -13.925 5.434 -4.253 1.00 0.00 C ATOM 1517 CG GLU A 95 -13.778 6.923 -4.487 1.00 0.00 C ATOM 1518 CD GLU A 95 -14.951 7.520 -5.233 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -15.015 7.362 -6.469 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -15.809 8.166 -4.589 1.00 0.00 O ATOM 0 H GLU A 95 -12.464 6.467 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.222 3.831 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.777 4.911 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.945 5.226 -3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.670 7.428 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.863 7.109 -5.050 1.00 0.00 H new ATOM 1527 N VAL A 96 -11.196 4.054 -4.690 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.832 3.958 -5.186 1.00 0.00 C ATOM 1529 C VAL A 96 -9.563 5.014 -6.258 1.00 0.00 C ATOM 1530 O VAL A 96 -10.406 5.280 -7.122 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.524 2.545 -5.739 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -10.302 2.261 -7.015 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -8.032 2.367 -5.969 1.00 0.00 C ATOM 0 H VAL A 96 -11.860 3.428 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.169 4.142 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.846 1.823 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.060 1.260 -7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.371 2.325 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.033 2.994 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.841 1.367 -6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.684 3.108 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.500 2.498 -5.026 1.00 0.00 H new ATOM 1543 N VAL A 97 -8.399 5.642 -6.180 1.00 0.00 N ATOM 1544 CA VAL A 97 -7.998 6.617 -7.183 1.00 0.00 C ATOM 1545 C VAL A 97 -7.119 5.944 -8.238 1.00 0.00 C ATOM 1546 O VAL A 97 -7.153 6.304 -9.413 1.00 0.00 O ATOM 1547 CB VAL A 97 -7.260 7.828 -6.553 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -5.966 7.403 -5.876 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -6.991 8.903 -7.596 1.00 0.00 C ATOM 0 H VAL A 97 -7.718 5.495 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.902 7.002 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.914 8.247 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.476 8.277 -5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.187 6.686 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.306 6.942 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.473 9.741 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.371 8.491 -8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.936 9.248 -8.015 1.00 0.00 H new ATOM 1559 N TYR A 98 -6.361 4.943 -7.810 1.00 0.00 N ATOM 1560 CA TYR A 98 -5.492 4.188 -8.702 1.00 0.00 C ATOM 1561 C TYR A 98 -5.030 2.917 -8.000 1.00 0.00 C ATOM 1562 O TYR A 98 -4.931 2.885 -6.772 1.00 0.00 O ATOM 1563 CB TYR A 98 -4.282 5.038 -9.124 1.00 0.00 C ATOM 1564 CG TYR A 98 -3.348 4.346 -10.092 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -3.730 4.116 -11.407 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -2.088 3.917 -9.691 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -2.885 3.479 -12.295 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -1.236 3.280 -10.574 1.00 0.00 C ATOM 1569 CZ TYR A 98 -1.640 3.064 -11.875 1.00 0.00 C ATOM 1570 OH TYR A 98 -0.792 2.431 -12.762 1.00 0.00 O ATOM 0 H TYR A 98 -6.331 4.633 -6.839 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.047 3.921 -9.601 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.641 5.961 -9.579 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.721 5.320 -8.233 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.704 4.441 -11.741 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.769 4.084 -8.673 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.199 3.307 -13.314 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.260 2.953 -10.247 1.00 0.00 H new ATOM 0 HH TYR A 98 0.046 2.204 -12.308 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.770 1.870 -8.769 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.274 0.626 -8.205 1.00 0.00 C ATOM 1582 C ARG A 99 -2.934 0.271 -8.837 1.00 0.00 C ATOM 1583 O ARG A 99 -2.766 0.366 -10.054 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.285 -0.522 -8.382 1.00 0.00 C ATOM 1585 CG ARG A 99 -5.433 -1.043 -9.807 1.00 0.00 C ATOM 1586 CD ARG A 99 -6.157 -0.060 -10.711 1.00 0.00 C ATOM 1587 NE ARG A 99 -6.167 -0.513 -12.100 1.00 0.00 N ATOM 1588 CZ ARG A 99 -6.797 0.115 -13.089 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -7.510 1.209 -12.846 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -6.715 -0.362 -14.326 1.00 0.00 N ATOM 0 H ARG A 99 -4.894 1.858 -9.781 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.136 0.769 -7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.987 -1.350 -7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.260 -0.183 -8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.446 -1.252 -10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.978 -1.987 -9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.182 0.069 -10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.674 0.915 -10.649 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.657 -1.367 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.577 1.573 -11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.990 1.685 -13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.172 -1.205 -14.513 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.196 0.114 -15.089 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.982 -0.112 -8.006 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.642 -0.430 -8.471 1.00 0.00 C ATOM 1606 C LEU A 100 -0.371 -1.921 -8.328 1.00 0.00 C ATOM 1607 O LEU A 100 -0.319 -2.448 -7.216 1.00 0.00 O ATOM 1608 CB LEU A 100 0.390 0.367 -7.671 1.00 0.00 C ATOM 1609 CG LEU A 100 1.837 0.223 -8.144 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.029 0.906 -9.488 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.789 0.801 -7.114 1.00 0.00 C ATOM 0 H LEU A 100 -2.112 -0.211 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.564 -0.160 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.117 1.422 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.334 0.058 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 100 2.058 -0.838 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.065 0.793 -9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.369 0.450 -10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.791 1.966 -9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.815 0.691 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.567 1.858 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.670 0.270 -6.170 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.205 -2.603 -9.448 1.00 0.00 N ATOM 1624 CA VAL A 101 0.059 -4.032 -9.424 1.00 0.00 C ATOM 1625 C VAL A 101 1.540 -4.294 -9.666 1.00 0.00 C ATOM 1626 O VAL A 101 2.017 -4.235 -10.803 1.00 0.00 O ATOM 1627 CB VAL A 101 -0.781 -4.789 -10.475 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -0.560 -6.290 -10.370 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -2.257 -4.453 -10.325 1.00 0.00 C ATOM 0 H VAL A 101 -0.248 -2.193 -10.381 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.225 -4.401 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.454 -4.468 -11.464 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.163 -6.800 -11.121 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.493 -6.515 -10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.852 -6.632 -9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.832 -4.996 -11.075 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.596 -4.740 -9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.402 -3.382 -10.463 1.00 0.00 H new ATOM 1639 N GLY A 102 2.265 -4.565 -8.595 1.00 0.00 N ATOM 1640 CA GLY A 102 3.694 -4.766 -8.696 1.00 0.00 C ATOM 1641 C GLY A 102 4.463 -3.551 -8.232 1.00 0.00 C ATOM 1642 O GLY A 102 4.131 -2.419 -8.593 1.00 0.00 O ATOM 0 H GLY A 102 1.887 -4.650 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.983 -5.630 -8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.958 -4.991 -9.729 1.00 0.00 H new ATOM 1646 N ALA A 103 5.494 -3.781 -7.439 1.00 0.00 N ATOM 1647 CA ALA A 103 6.266 -2.698 -6.857 1.00 0.00 C ATOM 1648 C ALA A 103 7.748 -2.875 -7.149 1.00 0.00 C ATOM 1649 O ALA A 103 8.266 -3.996 -7.147 1.00 0.00 O ATOM 1650 CB ALA A 103 6.021 -2.620 -5.356 1.00 0.00 C ATOM 0 H ALA A 103 5.817 -4.714 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 103 5.941 -1.762 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.607 -1.803 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.962 -2.442 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.319 -3.559 -4.889 1.00 0.00 H new ATOM 1656 N GLU A 104 8.422 -1.767 -7.410 1.00 0.00 N ATOM 1657 CA GLU A 104 9.842 -1.790 -7.717 1.00 0.00 C ATOM 1658 C GLU A 104 10.658 -1.396 -6.488 1.00 0.00 C ATOM 1659 O GLU A 104 10.103 -1.207 -5.404 1.00 0.00 O ATOM 1660 CB GLU A 104 10.153 -0.853 -8.892 1.00 0.00 C ATOM 1661 CG GLU A 104 9.749 -1.398 -10.259 1.00 0.00 C ATOM 1662 CD GLU A 104 8.259 -1.643 -10.406 1.00 0.00 C ATOM 1663 OE1 GLU A 104 7.481 -0.661 -10.379 1.00 0.00 O ATOM 1664 OE2 GLU A 104 7.862 -2.815 -10.568 1.00 0.00 O ATOM 0 H GLU A 104 8.006 -0.836 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 104 10.118 -2.805 -8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.643 0.096 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.223 -0.643 -8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.070 -0.696 -11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.281 -2.332 -10.439 1.00 0.00 H new ATOM 1671 N ASP A 105 11.972 -1.290 -6.661 1.00 0.00 N ATOM 1672 CA ASP A 105 12.873 -0.921 -5.570 1.00 0.00 C ATOM 1673 C ASP A 105 12.537 0.457 -5.012 1.00 0.00 C ATOM 1674 O ASP A 105 11.773 1.212 -5.612 1.00 0.00 O ATOM 1675 CB ASP A 105 14.332 -0.935 -6.030 1.00 0.00 C ATOM 1676 CG ASP A 105 14.872 -2.330 -6.265 1.00 0.00 C ATOM 1677 OD1 ASP A 105 15.271 -2.993 -5.287 1.00 0.00 O ATOM 1678 OD2 ASP A 105 14.920 -2.758 -7.438 1.00 0.00 O ATOM 0 H ASP A 105 12.441 -1.455 -7.552 1.00 0.00 H new ATOM 0 HA ASP A 105 12.738 -1.663 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.421 -0.358 -6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.947 -0.436 -5.281 1.00 0.00 H new ATOM 1683 N ALA A 106 13.157 0.788 -3.882 1.00 0.00 N ATOM 1684 CA ALA A 106 12.844 2.008 -3.136 1.00 0.00 C ATOM 1685 C ALA A 106 12.796 3.270 -4.020 1.00 0.00 C ATOM 1686 O ALA A 106 11.775 3.962 -4.030 1.00 0.00 O ATOM 1687 CB ALA A 106 13.820 2.184 -1.974 1.00 0.00 C ATOM 0 H ALA A 106 13.890 0.220 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 106 11.836 1.885 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.575 3.095 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.745 1.328 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.837 2.255 -2.360 1.00 0.00 H new ATOM 1693 N PRO A 107 13.865 3.598 -4.785 1.00 0.00 N ATOM 1694 CA PRO A 107 13.881 4.809 -5.618 1.00 0.00 C ATOM 1695 C PRO A 107 12.822 4.775 -6.718 1.00 0.00 C ATOM 1696 O PRO A 107 12.093 5.746 -6.926 1.00 0.00 O ATOM 1697 CB PRO A 107 15.287 4.822 -6.233 1.00 0.00 C ATOM 1698 CG PRO A 107 16.087 3.885 -5.397 1.00 0.00 C ATOM 1699 CD PRO A 107 15.124 2.841 -4.920 1.00 0.00 C ATOM 0 HA PRO A 107 13.656 5.698 -5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.264 4.500 -7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.714 5.825 -6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.895 3.437 -5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.547 4.406 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.029 2.022 -5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.437 2.404 -3.972 1.00 0.00 H new ATOM 1707 N GLU A 108 12.735 3.646 -7.412 1.00 0.00 N ATOM 1708 CA GLU A 108 11.809 3.495 -8.523 1.00 0.00 C ATOM 1709 C GLU A 108 10.355 3.500 -8.033 1.00 0.00 C ATOM 1710 O GLU A 108 9.455 3.922 -8.755 1.00 0.00 O ATOM 1711 CB GLU A 108 12.118 2.198 -9.272 1.00 0.00 C ATOM 1712 CG GLU A 108 11.540 2.147 -10.675 1.00 0.00 C ATOM 1713 CD GLU A 108 12.107 3.224 -11.579 1.00 0.00 C ATOM 1714 OE1 GLU A 108 13.333 3.224 -11.817 1.00 0.00 O ATOM 1715 OE2 GLU A 108 11.328 4.074 -12.063 1.00 0.00 O ATOM 0 H GLU A 108 13.299 2.818 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 108 11.933 4.340 -9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.199 2.072 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.729 1.357 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.741 1.169 -11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.457 2.256 -10.622 1.00 0.00 H new ATOM 1722 N LEU A 109 10.141 3.036 -6.805 1.00 0.00 N ATOM 1723 CA LEU A 109 8.810 3.014 -6.198 1.00 0.00 C ATOM 1724 C LEU A 109 8.221 4.414 -6.127 1.00 0.00 C ATOM 1725 O LEU A 109 7.130 4.669 -6.641 1.00 0.00 O ATOM 1726 CB LEU A 109 8.885 2.425 -4.786 1.00 0.00 C ATOM 1727 CG LEU A 109 7.545 2.276 -4.045 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.613 1.310 -4.765 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.788 1.809 -2.620 1.00 0.00 C ATOM 0 H LEU A 109 10.878 2.667 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 109 8.167 2.393 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.354 1.443 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.541 3.055 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 109 7.061 3.252 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.676 1.229 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.412 1.680 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.083 0.329 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.834 1.706 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.298 0.846 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.407 2.539 -2.098 1.00 0.00 H new ATOM 1741 N LEU A 110 8.955 5.318 -5.494 1.00 0.00 N ATOM 1742 CA LEU A 110 8.483 6.685 -5.289 1.00 0.00 C ATOM 1743 C LEU A 110 8.317 7.422 -6.622 1.00 0.00 C ATOM 1744 O LEU A 110 7.450 8.290 -6.758 1.00 0.00 O ATOM 1745 CB LEU A 110 9.415 7.445 -4.333 1.00 0.00 C ATOM 1746 CG LEU A 110 10.833 7.719 -4.838 1.00 0.00 C ATOM 1747 CD1 LEU A 110 10.932 9.123 -5.410 1.00 0.00 C ATOM 1748 CD2 LEU A 110 11.843 7.528 -3.719 1.00 0.00 C ATOM 0 H LEU A 110 9.882 5.131 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 110 7.498 6.637 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.949 8.400 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.487 6.879 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 110 11.059 7.007 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.947 9.301 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.234 9.227 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.686 9.850 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.846 7.727 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.618 8.217 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.790 6.503 -3.352 1.00 0.00 H new ATOM 1760 N LYS A 111 9.141 7.077 -7.604 1.00 0.00 N ATOM 1761 CA LYS A 111 8.998 7.646 -8.940 1.00 0.00 C ATOM 1762 C LYS A 111 7.724 7.128 -9.595 1.00 0.00 C ATOM 1763 O LYS A 111 6.893 7.902 -10.080 1.00 0.00 O ATOM 1764 CB LYS A 111 10.194 7.281 -9.821 1.00 0.00 C ATOM 1765 CG LYS A 111 11.531 7.818 -9.337 1.00 0.00 C ATOM 1766 CD LYS A 111 11.550 9.336 -9.275 1.00 0.00 C ATOM 1767 CE LYS A 111 12.971 9.862 -9.151 1.00 0.00 C ATOM 1768 NZ LYS A 111 13.747 9.653 -10.404 1.00 0.00 N ATOM 0 H LYS A 111 9.908 6.413 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 111 8.949 8.730 -8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.258 6.195 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.012 7.654 -10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.747 7.413 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 111 12.322 7.473 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.085 9.745 -10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 111 10.958 9.676 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.946 10.925 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.474 9.361 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.563 10.298 -10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.083 8.670 -10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.139 9.845 -11.225 1.00 0.00 H new ATOM 1782 N LYS A 112 7.580 5.809 -9.580 1.00 0.00 N ATOM 1783 CA LYS A 112 6.463 5.124 -10.219 1.00 0.00 C ATOM 1784 C LYS A 112 5.122 5.579 -9.649 1.00 0.00 C ATOM 1785 O LYS A 112 4.150 5.736 -10.390 1.00 0.00 O ATOM 1786 CB LYS A 112 6.633 3.618 -10.049 1.00 0.00 C ATOM 1787 CG LYS A 112 5.635 2.772 -10.822 1.00 0.00 C ATOM 1788 CD LYS A 112 5.611 3.115 -12.303 1.00 0.00 C ATOM 1789 CE LYS A 112 5.144 1.934 -13.146 1.00 0.00 C ATOM 1790 NZ LYS A 112 3.890 1.323 -12.630 1.00 0.00 N ATOM 0 H LYS A 112 8.239 5.180 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 112 6.464 5.376 -11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.640 3.343 -10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.551 3.375 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.884 1.718 -10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.639 2.915 -10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.950 3.965 -12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.608 3.419 -12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.987 2.265 -14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.929 1.178 -13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.497 0.679 -13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.095 0.790 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.199 2.072 -12.422 1.00 0.00 H new ATOM 1804 N VAL A 113 5.064 5.800 -8.340 1.00 0.00 N ATOM 1805 CA VAL A 113 3.821 6.222 -7.710 1.00 0.00 C ATOM 1806 C VAL A 113 3.474 7.660 -8.099 1.00 0.00 C ATOM 1807 O VAL A 113 2.317 7.960 -8.389 1.00 0.00 O ATOM 1808 CB VAL A 113 3.856 6.066 -6.165 1.00 0.00 C ATOM 1809 CG1 VAL A 113 4.929 6.934 -5.534 1.00 0.00 C ATOM 1810 CG2 VAL A 113 2.495 6.383 -5.562 1.00 0.00 C ATOM 0 H VAL A 113 5.853 5.695 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 113 3.039 5.560 -8.081 1.00 0.00 H new ATOM 0 HB VAL A 113 4.103 5.027 -5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.920 6.795 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.905 6.650 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.734 7.981 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.541 6.268 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.219 7.409 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.749 5.700 -5.968 1.00 0.00 H new ATOM 1820 N LYS A 114 4.484 8.532 -8.152 1.00 0.00 N ATOM 1821 CA LYS A 114 4.263 9.933 -8.502 1.00 0.00 C ATOM 1822 C LYS A 114 3.692 10.073 -9.911 1.00 0.00 C ATOM 1823 O LYS A 114 2.699 10.767 -10.122 1.00 0.00 O ATOM 1824 CB LYS A 114 5.556 10.734 -8.400 1.00 0.00 C ATOM 1825 CG LYS A 114 5.351 12.212 -8.691 1.00 0.00 C ATOM 1826 CD LYS A 114 6.662 12.954 -8.786 1.00 0.00 C ATOM 1827 CE LYS A 114 7.318 13.119 -7.427 1.00 0.00 C ATOM 1828 NZ LYS A 114 8.616 13.834 -7.519 1.00 0.00 N ATOM 0 H LYS A 114 5.456 8.293 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 114 3.540 10.328 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.973 10.619 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.287 10.328 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.801 12.325 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.739 12.655 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.337 12.416 -9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.493 13.935 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.648 13.668 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.475 12.138 -6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.030 13.925 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 9.265 13.298 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.463 14.780 -7.922 1.00 0.00 H new ATOM 1842 N LEU A 115 4.316 9.404 -10.872 1.00 0.00 N ATOM 1843 CA LEU A 115 3.883 9.500 -12.262 1.00 0.00 C ATOM 1844 C LEU A 115 2.589 8.727 -12.482 1.00 0.00 C ATOM 1845 O LEU A 115 1.815 9.030 -13.392 1.00 0.00 O ATOM 1846 CB LEU A 115 4.996 9.011 -13.202 1.00 0.00 C ATOM 1847 CG LEU A 115 5.480 7.566 -13.006 1.00 0.00 C ATOM 1848 CD1 LEU A 115 4.597 6.574 -13.750 1.00 0.00 C ATOM 1849 CD2 LEU A 115 6.920 7.431 -13.463 1.00 0.00 C ATOM 0 H LEU A 115 5.118 8.793 -10.718 1.00 0.00 H new ATOM 0 HA LEU A 115 3.682 10.546 -12.493 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.645 9.116 -14.229 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.853 9.675 -13.089 1.00 0.00 H new ATOM 0 HG LEU A 115 5.417 7.334 -11.943 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.970 5.563 -13.588 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.575 6.648 -13.379 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.613 6.801 -14.816 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.252 6.403 -13.319 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.993 7.692 -14.519 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.551 8.101 -12.880 1.00 0.00 H new ATOM 1861 N GLY A 116 2.363 7.740 -11.628 1.00 0.00 N ATOM 1862 CA GLY A 116 1.162 6.933 -11.712 1.00 0.00 C ATOM 1863 C GLY A 116 -0.082 7.694 -11.299 1.00 0.00 C ATOM 1864 O GLY A 116 -1.078 7.706 -12.024 1.00 0.00 O ATOM 0 H GLY A 116 2.996 7.481 -10.871 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.041 6.574 -12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.274 6.055 -11.076 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.024 8.343 -10.138 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.163 9.107 -9.634 1.00 0.00 C ATOM 1870 C VAL A 117 -1.182 10.512 -10.228 1.00 0.00 C ATOM 1871 O VAL A 117 -2.035 11.334 -9.885 1.00 0.00 O ATOM 1872 CB VAL A 117 -1.158 9.205 -8.091 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.200 7.819 -7.463 1.00 0.00 C ATOM 1874 CG2 VAL A 117 0.053 9.985 -7.597 1.00 0.00 C ATOM 0 H VAL A 117 0.796 8.355 -9.531 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.060 8.569 -9.941 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.054 9.746 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.196 7.911 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.107 7.303 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.328 7.248 -7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.032 10.039 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.965 9.482 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.030 10.993 -8.011 1.00 0.00 H new ATOM 1884 N GLU A 118 -0.225 10.769 -11.118 1.00 0.00 N ATOM 1885 CA GLU A 118 -0.114 12.044 -11.822 1.00 0.00 C ATOM 1886 C GLU A 118 0.176 13.189 -10.857 1.00 0.00 C ATOM 1887 O GLU A 118 0.464 12.973 -9.678 1.00 0.00 O ATOM 1888 CB GLU A 118 -1.381 12.325 -12.629 1.00 0.00 C ATOM 1889 CG GLU A 118 -1.635 11.303 -13.723 1.00 0.00 C ATOM 1890 CD GLU A 118 -2.850 11.640 -14.556 1.00 0.00 C ATOM 1891 OE1 GLU A 118 -2.717 12.422 -15.522 1.00 0.00 O ATOM 1892 OE2 GLU A 118 -3.945 11.125 -14.253 1.00 0.00 O ATOM 0 H GLU A 118 0.498 10.096 -11.372 1.00 0.00 H new ATOM 0 HA GLU A 118 0.727 11.971 -12.512 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.237 12.345 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.306 13.316 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.760 11.242 -14.370 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.768 10.319 -13.273 1.00 0.00 H new