USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 GLN : amide:sc= -0.0453 K(o=-0.045,f=-0.55) USER MOD Set 1.2: A 65 GLN : amide:sc= 0 X(o=-0.045,f=-0.35) USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0.0231 USER MOD Set 2.2: A 58 LYS NZ :NH3+ -112:sc= -0.186 (180deg=-1.76!) USER MOD Single : A 9 THR OG1 : rot -146:sc= 0.274 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.063) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0202) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00214) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= 0.166 (180deg=-0.0769) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -42:sc= 0.553 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= -0.012 (180deg=-0.134) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= -0.0262 (180deg=-0.321) USER MOD Single : A 43 GLN : amide:sc= -0.779 X(o=-0.78,f=-0.46) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00971) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0.503 (180deg=0.263) USER MOD Single : A 62 LYS NZ :NH3+ -107:sc= -0.0843 (180deg=-2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.15) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 82 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.098) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0325) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 1.281 9.975 -6.672 1.00 64.23 N ATOM 28 CA ARG A 3 0.620 8.669 -6.732 1.00 14.24 C ATOM 29 C ARG A 3 0.654 7.979 -5.363 1.00 34.23 C ATOM 30 O ARG A 3 1.718 7.890 -4.739 1.00 53.33 O ATOM 31 CB ARG A 3 1.283 7.767 -7.805 1.00 15.35 C ATOM 32 CG ARG A 3 0.471 6.508 -8.193 1.00 23.45 C ATOM 33 CD ARG A 3 -0.785 6.815 -9.046 1.00 4.14 C ATOM 34 NE ARG A 3 -1.846 7.530 -8.304 1.00 20.24 N ATOM 35 CZ ARG A 3 -3.101 7.100 -8.150 1.00 23.32 C ATOM 36 NH1 ARG A 3 -3.513 5.956 -8.686 1.00 53.24 N ATOM 37 NH2 ARG A 3 -3.948 7.818 -7.454 1.00 75.34 N ATOM 0 HA ARG A 3 -0.421 8.831 -7.011 1.00 14.24 H new ATOM 0 HB2 ARG A 3 1.454 8.361 -8.702 1.00 15.35 H new ATOM 0 HB3 ARG A 3 2.261 7.452 -7.440 1.00 15.35 H new ATOM 0 HG2 ARG A 3 1.117 5.826 -8.746 1.00 23.45 H new ATOM 0 HG3 ARG A 3 0.164 5.990 -7.284 1.00 23.45 H new ATOM 0 HD2 ARG A 3 -0.491 7.413 -9.908 1.00 4.14 H new ATOM 0 HD3 ARG A 3 -1.190 5.879 -9.431 1.00 4.14 H new ATOM 0 HE ARG A 3 -1.600 8.422 -7.876 1.00 20.24 H new ATOM 0 HH11 ARG A 3 -2.866 5.385 -9.229 1.00 53.24 H new ATOM 0 HH12 ARG A 3 -4.477 5.649 -8.554 1.00 53.24 H new ATOM 0 HH21 ARG A 3 -3.647 8.698 -7.035 1.00 75.34 H new ATOM 0 HH22 ARG A 3 -4.908 7.497 -7.331 1.00 75.34 H new ATOM 51 N LEU A 4 -0.522 7.539 -4.884 1.00 42.31 N ATOM 52 CA LEU A 4 -0.635 6.719 -3.675 1.00 53.12 C ATOM 53 C LEU A 4 -1.078 5.298 -4.050 1.00 42.42 C ATOM 54 O LEU A 4 -2.101 5.125 -4.735 1.00 23.40 O ATOM 55 CB LEU A 4 -1.657 7.340 -2.686 1.00 21.44 C ATOM 56 CG LEU A 4 -1.673 6.707 -1.253 1.00 33.21 C ATOM 57 CD1 LEU A 4 -0.373 7.026 -0.482 1.00 32.05 C ATOM 58 CD2 LEU A 4 -2.915 7.138 -0.450 1.00 74.03 C ATOM 0 H LEU A 4 -1.418 7.744 -5.327 1.00 42.31 H new ATOM 0 HA LEU A 4 0.341 6.681 -3.190 1.00 53.12 H new ATOM 0 HB2 LEU A 4 -1.445 8.405 -2.592 1.00 21.44 H new ATOM 0 HB3 LEU A 4 -2.654 7.250 -3.116 1.00 21.44 H new ATOM 0 HG LEU A 4 -1.728 5.626 -1.381 1.00 33.21 H new ATOM 0 HD11 LEU A 4 -0.417 6.572 0.508 1.00 32.05 H new ATOM 0 HD12 LEU A 4 0.481 6.625 -1.028 1.00 32.05 H new ATOM 0 HD13 LEU A 4 -0.265 8.106 -0.382 1.00 32.05 H new ATOM 0 HD21 LEU A 4 -2.888 6.677 0.537 1.00 74.03 H new ATOM 0 HD22 LEU A 4 -2.921 8.223 -0.344 1.00 74.03 H new ATOM 0 HD23 LEU A 4 -3.816 6.819 -0.974 1.00 74.03 H new ATOM 70 N VAL A 5 -0.293 4.297 -3.631 1.00 43.02 N ATOM 71 CA VAL A 5 -0.691 2.883 -3.696 1.00 12.05 C ATOM 72 C VAL A 5 -0.952 2.401 -2.267 1.00 60.42 C ATOM 73 O VAL A 5 -0.034 2.385 -1.444 1.00 65.42 O ATOM 74 CB VAL A 5 0.406 1.978 -4.381 1.00 72.34 C ATOM 75 CG1 VAL A 5 0.008 0.479 -4.367 1.00 41.10 C ATOM 76 CG2 VAL A 5 0.682 2.455 -5.820 1.00 22.32 C ATOM 0 H VAL A 5 0.636 4.444 -3.237 1.00 43.02 H new ATOM 0 HA VAL A 5 -1.588 2.800 -4.310 1.00 12.05 H new ATOM 0 HB VAL A 5 1.322 2.077 -3.799 1.00 72.34 H new ATOM 0 HG11 VAL A 5 0.789 -0.109 -4.848 1.00 41.10 H new ATOM 0 HG12 VAL A 5 -0.116 0.145 -3.337 1.00 41.10 H new ATOM 0 HG13 VAL A 5 -0.930 0.346 -4.907 1.00 41.10 H new ATOM 0 HG21 VAL A 5 1.441 1.819 -6.275 1.00 22.32 H new ATOM 0 HG22 VAL A 5 -0.236 2.399 -6.404 1.00 22.32 H new ATOM 0 HG23 VAL A 5 1.037 3.485 -5.800 1.00 22.32 H new ATOM 86 N VAL A 6 -2.202 2.044 -1.966 1.00 20.43 N ATOM 87 CA VAL A 6 -2.577 1.503 -0.661 1.00 64.45 C ATOM 88 C VAL A 6 -2.553 -0.025 -0.763 1.00 52.10 C ATOM 89 O VAL A 6 -3.460 -0.632 -1.322 1.00 15.44 O ATOM 90 CB VAL A 6 -4.002 2.012 -0.217 1.00 2.54 C ATOM 91 CG1 VAL A 6 -4.411 1.440 1.160 1.00 62.44 C ATOM 92 CG2 VAL A 6 -4.066 3.558 -0.224 1.00 10.14 C ATOM 0 H VAL A 6 -2.981 2.122 -2.620 1.00 20.43 H new ATOM 0 HA VAL A 6 -1.871 1.844 0.097 1.00 64.45 H new ATOM 0 HB VAL A 6 -4.723 1.642 -0.946 1.00 2.54 H new ATOM 0 HG11 VAL A 6 -5.398 1.814 1.431 1.00 62.44 H new ATOM 0 HG12 VAL A 6 -4.437 0.352 1.109 1.00 62.44 H new ATOM 0 HG13 VAL A 6 -3.687 1.751 1.913 1.00 62.44 H new ATOM 0 HG21 VAL A 6 -5.059 3.882 0.086 1.00 10.14 H new ATOM 0 HG22 VAL A 6 -3.322 3.956 0.466 1.00 10.14 H new ATOM 0 HG23 VAL A 6 -3.861 3.926 -1.229 1.00 10.14 H new ATOM 102 N VAL A 7 -1.476 -0.630 -0.277 1.00 34.42 N ATOM 103 CA VAL A 7 -1.338 -2.085 -0.228 1.00 42.41 C ATOM 104 C VAL A 7 -2.038 -2.602 1.041 1.00 14.43 C ATOM 105 O VAL A 7 -1.810 -2.082 2.134 1.00 52.22 O ATOM 106 CB VAL A 7 0.171 -2.517 -0.215 1.00 24.24 C ATOM 107 CG1 VAL A 7 0.328 -4.051 -0.213 1.00 43.14 C ATOM 108 CG2 VAL A 7 0.962 -1.875 -1.381 1.00 63.04 C ATOM 0 H VAL A 7 -0.671 -0.127 0.096 1.00 34.42 H new ATOM 0 HA VAL A 7 -1.797 -2.513 -1.119 1.00 42.41 H new ATOM 0 HB VAL A 7 0.598 -2.144 0.716 1.00 24.24 H new ATOM 0 HG11 VAL A 7 1.387 -4.308 -0.204 1.00 43.14 H new ATOM 0 HG12 VAL A 7 -0.154 -4.465 0.673 1.00 43.14 H new ATOM 0 HG13 VAL A 7 -0.138 -4.466 -1.107 1.00 43.14 H new ATOM 0 HG21 VAL A 7 2.002 -2.199 -1.337 1.00 63.04 H new ATOM 0 HG22 VAL A 7 0.526 -2.185 -2.331 1.00 63.04 H new ATOM 0 HG23 VAL A 7 0.916 -0.789 -1.297 1.00 63.04 H new ATOM 118 N VAL A 8 -2.896 -3.610 0.872 1.00 72.31 N ATOM 119 CA VAL A 8 -3.667 -4.238 1.954 1.00 1.13 C ATOM 120 C VAL A 8 -3.398 -5.752 1.945 1.00 13.22 C ATOM 121 O VAL A 8 -3.011 -6.309 0.912 1.00 21.13 O ATOM 122 CB VAL A 8 -5.213 -3.978 1.784 1.00 63.41 C ATOM 123 CG1 VAL A 8 -5.549 -2.471 1.879 1.00 35.32 C ATOM 124 CG2 VAL A 8 -5.741 -4.583 0.458 1.00 63.51 C ATOM 0 H VAL A 8 -3.080 -4.024 -0.042 1.00 72.31 H new ATOM 0 HA VAL A 8 -3.354 -3.800 2.902 1.00 1.13 H new ATOM 0 HB VAL A 8 -5.720 -4.481 2.607 1.00 63.41 H new ATOM 0 HG11 VAL A 8 -6.623 -2.329 1.757 1.00 35.32 H new ATOM 0 HG12 VAL A 8 -5.241 -2.090 2.853 1.00 35.32 H new ATOM 0 HG13 VAL A 8 -5.020 -1.930 1.094 1.00 35.32 H new ATOM 0 HG21 VAL A 8 -6.810 -4.388 0.369 1.00 63.51 H new ATOM 0 HG22 VAL A 8 -5.218 -4.128 -0.383 1.00 63.51 H new ATOM 0 HG23 VAL A 8 -5.567 -5.659 0.454 1.00 63.51 H new ATOM 134 N THR A 9 -3.588 -6.410 3.094 1.00 53.23 N ATOM 135 CA THR A 9 -3.486 -7.879 3.196 1.00 3.14 C ATOM 136 C THR A 9 -4.876 -8.558 3.202 1.00 33.23 C ATOM 137 O THR A 9 -4.961 -9.789 3.137 1.00 62.53 O ATOM 138 CB THR A 9 -2.659 -8.286 4.462 1.00 64.11 C ATOM 139 OG1 THR A 9 -3.068 -7.500 5.597 1.00 35.15 O ATOM 140 CG2 THR A 9 -1.144 -8.115 4.247 1.00 4.50 C ATOM 0 H THR A 9 -3.815 -5.949 3.975 1.00 53.23 H new ATOM 0 HA THR A 9 -2.961 -8.233 2.309 1.00 3.14 H new ATOM 0 HB THR A 9 -2.857 -9.342 4.646 1.00 64.11 H new ATOM 0 HG1 THR A 9 -2.296 -7.339 6.179 1.00 35.15 H new ATOM 0 HG21 THR A 9 -0.613 -8.410 5.152 1.00 4.50 H new ATOM 0 HG22 THR A 9 -0.821 -8.742 3.416 1.00 4.50 H new ATOM 0 HG23 THR A 9 -0.924 -7.072 4.020 1.00 4.50 H new ATOM 148 N SER A 10 -5.960 -7.754 3.245 1.00 61.31 N ATOM 149 CA SER A 10 -7.348 -8.262 3.244 1.00 52.23 C ATOM 150 C SER A 10 -8.197 -7.498 2.209 1.00 30.10 C ATOM 151 O SER A 10 -8.100 -6.264 2.089 1.00 14.22 O ATOM 152 CB SER A 10 -7.964 -8.147 4.657 1.00 4.33 C ATOM 153 OG SER A 10 -7.220 -8.904 5.604 1.00 24.04 O ATOM 0 H SER A 10 -5.897 -6.737 3.281 1.00 61.31 H new ATOM 0 HA SER A 10 -7.336 -9.315 2.964 1.00 52.23 H new ATOM 0 HB2 SER A 10 -7.989 -7.101 4.962 1.00 4.33 H new ATOM 0 HB3 SER A 10 -8.996 -8.498 4.637 1.00 4.33 H new ATOM 0 HG SER A 10 -7.629 -8.813 6.490 1.00 24.04 H new ATOM 159 N GLU A 11 -9.024 -8.255 1.468 1.00 72.14 N ATOM 160 CA GLU A 11 -9.893 -7.728 0.403 1.00 25.31 C ATOM 161 C GLU A 11 -11.001 -6.822 0.974 1.00 4.43 C ATOM 162 O GLU A 11 -11.449 -5.890 0.302 1.00 43.34 O ATOM 163 CB GLU A 11 -10.483 -8.903 -0.420 1.00 53.00 C ATOM 164 CG GLU A 11 -11.279 -8.476 -1.666 1.00 3.14 C ATOM 165 CD GLU A 11 -11.793 -9.656 -2.498 1.00 12.20 C ATOM 166 OE1 GLU A 11 -12.863 -10.207 -2.170 1.00 73.02 O ATOM 167 OE2 GLU A 11 -11.138 -10.034 -3.490 1.00 2.53 O ATOM 0 H GLU A 11 -9.108 -9.264 1.594 1.00 72.14 H new ATOM 0 HA GLU A 11 -9.293 -7.106 -0.261 1.00 25.31 H new ATOM 0 HB2 GLU A 11 -9.668 -9.556 -0.732 1.00 53.00 H new ATOM 0 HB3 GLU A 11 -11.134 -9.492 0.227 1.00 53.00 H new ATOM 0 HG2 GLU A 11 -12.126 -7.865 -1.354 1.00 3.14 H new ATOM 0 HG3 GLU A 11 -10.647 -7.848 -2.293 1.00 3.14 H new ATOM 174 N GLN A 12 -11.405 -7.088 2.228 1.00 64.23 N ATOM 175 CA GLN A 12 -12.345 -6.227 2.976 1.00 23.02 C ATOM 176 C GLN A 12 -11.773 -4.804 3.171 1.00 73.22 C ATOM 177 O GLN A 12 -12.519 -3.824 3.149 1.00 75.02 O ATOM 178 CB GLN A 12 -12.690 -6.876 4.345 1.00 74.55 C ATOM 179 CG GLN A 12 -13.633 -8.093 4.250 1.00 24.50 C ATOM 180 CD GLN A 12 -15.055 -7.714 3.820 1.00 44.25 C ATOM 181 OE1 GLN A 12 -15.933 -7.467 4.652 1.00 3.22 O ATOM 182 NE2 GLN A 12 -15.283 -7.625 2.526 1.00 42.31 N ATOM 0 H GLN A 12 -11.091 -7.904 2.753 1.00 64.23 H new ATOM 0 HA GLN A 12 -13.260 -6.134 2.391 1.00 23.02 H new ATOM 0 HB2 GLN A 12 -11.765 -7.185 4.831 1.00 74.55 H new ATOM 0 HB3 GLN A 12 -13.150 -6.123 4.985 1.00 74.55 H new ATOM 0 HG2 GLN A 12 -13.223 -8.810 3.539 1.00 24.50 H new ATOM 0 HG3 GLN A 12 -13.673 -8.592 5.218 1.00 24.50 H new ATOM 0 HE21 GLN A 12 -14.538 -7.835 1.861 1.00 42.31 H new ATOM 0 HE22 GLN A 12 -16.204 -7.346 2.188 1.00 42.31 H new ATOM 191 N LEU A 13 -10.446 -4.715 3.350 1.00 34.35 N ATOM 192 CA LEU A 13 -9.736 -3.428 3.454 1.00 63.12 C ATOM 193 C LEU A 13 -9.576 -2.791 2.057 1.00 63.10 C ATOM 194 O LEU A 13 -9.643 -1.570 1.922 1.00 35.41 O ATOM 195 CB LEU A 13 -8.349 -3.643 4.117 1.00 42.44 C ATOM 196 CG LEU A 13 -8.355 -4.268 5.550 1.00 65.21 C ATOM 197 CD1 LEU A 13 -6.913 -4.553 6.033 1.00 72.13 C ATOM 198 CD2 LEU A 13 -9.125 -3.372 6.551 1.00 62.10 C ATOM 0 H LEU A 13 -9.836 -5.529 3.427 1.00 34.35 H new ATOM 0 HA LEU A 13 -10.320 -2.749 4.075 1.00 63.12 H new ATOM 0 HB2 LEU A 13 -7.755 -4.285 3.466 1.00 42.44 H new ATOM 0 HB3 LEU A 13 -7.840 -2.680 4.166 1.00 42.44 H new ATOM 0 HG LEU A 13 -8.881 -5.221 5.500 1.00 65.21 H new ATOM 0 HD11 LEU A 13 -6.943 -4.987 7.032 1.00 72.13 H new ATOM 0 HD12 LEU A 13 -6.431 -5.251 5.348 1.00 72.13 H new ATOM 0 HD13 LEU A 13 -6.347 -3.622 6.059 1.00 72.13 H new ATOM 0 HD21 LEU A 13 -9.111 -3.834 7.538 1.00 62.10 H new ATOM 0 HD22 LEU A 13 -8.650 -2.392 6.602 1.00 62.10 H new ATOM 0 HD23 LEU A 13 -10.157 -3.258 6.218 1.00 62.10 H new ATOM 210 N LYS A 14 -9.381 -3.650 1.028 1.00 33.50 N ATOM 211 CA LYS A 14 -9.198 -3.209 -0.377 1.00 34.44 C ATOM 212 C LYS A 14 -10.404 -2.396 -0.881 1.00 23.30 C ATOM 213 O LYS A 14 -10.272 -1.214 -1.234 1.00 1.33 O ATOM 214 CB LYS A 14 -8.928 -4.433 -1.307 1.00 74.53 C ATOM 215 CG LYS A 14 -8.768 -4.097 -2.812 1.00 21.54 C ATOM 216 CD LYS A 14 -8.266 -5.307 -3.632 1.00 3.45 C ATOM 217 CE LYS A 14 -8.226 -5.034 -5.144 1.00 55.44 C ATOM 218 NZ LYS A 14 -9.589 -4.898 -5.724 1.00 23.32 N ATOM 0 H LYS A 14 -9.346 -4.662 1.147 1.00 33.50 H new ATOM 0 HA LYS A 14 -8.328 -2.553 -0.405 1.00 34.44 H new ATOM 0 HB2 LYS A 14 -8.023 -4.936 -0.965 1.00 74.53 H new ATOM 0 HB3 LYS A 14 -9.748 -5.142 -1.195 1.00 74.53 H new ATOM 0 HG2 LYS A 14 -9.725 -3.762 -3.211 1.00 21.54 H new ATOM 0 HG3 LYS A 14 -8.068 -3.269 -2.925 1.00 21.54 H new ATOM 0 HD2 LYS A 14 -7.267 -5.580 -3.291 1.00 3.45 H new ATOM 0 HD3 LYS A 14 -8.914 -6.163 -3.440 1.00 3.45 H new ATOM 0 HE2 LYS A 14 -7.660 -4.122 -5.332 1.00 55.44 H new ATOM 0 HE3 LYS A 14 -7.699 -5.846 -5.645 1.00 55.44 H new ATOM 0 HZ1 LYS A 14 -9.520 -4.816 -6.758 1.00 23.32 H new ATOM 0 HZ2 LYS A 14 -10.155 -5.735 -5.480 1.00 23.32 H new ATOM 0 HZ3 LYS A 14 -10.046 -4.047 -5.340 1.00 23.32 H new ATOM 232 N GLU A 15 -11.578 -3.044 -0.852 1.00 3.32 N ATOM 233 CA GLU A 15 -12.854 -2.467 -1.322 1.00 51.20 C ATOM 234 C GLU A 15 -13.300 -1.279 -0.461 1.00 22.11 C ATOM 235 O GLU A 15 -14.074 -0.450 -0.924 1.00 52.10 O ATOM 236 CB GLU A 15 -13.938 -3.572 -1.328 1.00 34.04 C ATOM 237 CG GLU A 15 -14.190 -4.219 0.052 1.00 62.50 C ATOM 238 CD GLU A 15 -15.012 -5.514 -0.012 1.00 72.15 C ATOM 239 OE1 GLU A 15 -14.486 -6.532 -0.512 1.00 52.32 O ATOM 240 OE2 GLU A 15 -16.177 -5.523 0.447 1.00 70.45 O ATOM 0 H GLU A 15 -11.673 -3.996 -0.498 1.00 3.32 H new ATOM 0 HA GLU A 15 -12.707 -2.086 -2.333 1.00 51.20 H new ATOM 0 HB2 GLU A 15 -14.873 -3.147 -1.693 1.00 34.04 H new ATOM 0 HB3 GLU A 15 -13.644 -4.350 -2.033 1.00 34.04 H new ATOM 0 HG2 GLU A 15 -13.231 -4.431 0.524 1.00 62.50 H new ATOM 0 HG3 GLU A 15 -14.707 -3.502 0.690 1.00 62.50 H new ATOM 247 N GLU A 16 -12.796 -1.214 0.788 1.00 44.32 N ATOM 248 CA GLU A 16 -13.128 -0.141 1.738 1.00 54.04 C ATOM 249 C GLU A 16 -12.417 1.162 1.351 1.00 24.02 C ATOM 250 O GLU A 16 -13.054 2.217 1.213 1.00 44.32 O ATOM 251 CB GLU A 16 -12.734 -0.568 3.178 1.00 14.41 C ATOM 252 CG GLU A 16 -13.189 0.397 4.294 1.00 42.44 C ATOM 253 CD GLU A 16 -14.718 0.613 4.331 1.00 40.30 C ATOM 254 OE1 GLU A 16 -15.441 -0.279 4.826 1.00 32.30 O ATOM 255 OE2 GLU A 16 -15.196 1.672 3.867 1.00 5.23 O ATOM 0 H GLU A 16 -12.147 -1.906 1.163 1.00 44.32 H new ATOM 0 HA GLU A 16 -14.203 0.036 1.705 1.00 54.04 H new ATOM 0 HB2 GLU A 16 -13.156 -1.553 3.377 1.00 14.41 H new ATOM 0 HB3 GLU A 16 -11.650 -0.670 3.226 1.00 14.41 H new ATOM 0 HG2 GLU A 16 -12.861 0.007 5.258 1.00 42.44 H new ATOM 0 HG3 GLU A 16 -12.697 1.359 4.155 1.00 42.44 H new ATOM 262 N VAL A 17 -11.087 1.076 1.168 1.00 33.41 N ATOM 263 CA VAL A 17 -10.269 2.234 0.779 1.00 21.20 C ATOM 264 C VAL A 17 -10.628 2.705 -0.652 1.00 24.31 C ATOM 265 O VAL A 17 -10.504 3.880 -0.954 1.00 33.54 O ATOM 266 CB VAL A 17 -8.721 1.931 0.906 1.00 30.45 C ATOM 267 CG1 VAL A 17 -7.859 3.181 0.589 1.00 43.14 C ATOM 268 CG2 VAL A 17 -8.372 1.370 2.308 1.00 4.31 C ATOM 0 H VAL A 17 -10.557 0.213 1.284 1.00 33.41 H new ATOM 0 HA VAL A 17 -10.497 3.043 1.473 1.00 21.20 H new ATOM 0 HB VAL A 17 -8.484 1.169 0.163 1.00 30.45 H new ATOM 0 HG11 VAL A 17 -6.803 2.929 0.688 1.00 43.14 H new ATOM 0 HG12 VAL A 17 -8.059 3.512 -0.430 1.00 43.14 H new ATOM 0 HG13 VAL A 17 -8.108 3.981 1.286 1.00 43.14 H new ATOM 0 HG21 VAL A 17 -7.302 1.172 2.364 1.00 4.31 H new ATOM 0 HG22 VAL A 17 -8.647 2.099 3.070 1.00 4.31 H new ATOM 0 HG23 VAL A 17 -8.922 0.444 2.477 1.00 4.31 H new ATOM 278 N ARG A 18 -11.097 1.780 -1.524 1.00 61.23 N ATOM 279 CA ARG A 18 -11.594 2.144 -2.876 1.00 14.34 C ATOM 280 C ARG A 18 -13.023 2.731 -2.843 1.00 33.33 C ATOM 281 O ARG A 18 -13.388 3.522 -3.718 1.00 43.31 O ATOM 282 CB ARG A 18 -11.544 0.924 -3.827 1.00 11.12 C ATOM 283 CG ARG A 18 -10.121 0.392 -4.070 1.00 43.42 C ATOM 284 CD ARG A 18 -10.015 -0.588 -5.252 1.00 32.45 C ATOM 285 NE ARG A 18 -10.479 -0.006 -6.530 1.00 52.55 N ATOM 286 CZ ARG A 18 -9.914 1.036 -7.172 1.00 62.50 C ATOM 287 NH1 ARG A 18 -8.835 1.654 -6.693 1.00 23.31 N ATOM 288 NH2 ARG A 18 -10.432 1.451 -8.313 1.00 31.45 N ATOM 0 H ARG A 18 -11.142 0.782 -1.318 1.00 61.23 H new ATOM 0 HA ARG A 18 -10.930 2.922 -3.253 1.00 14.34 H new ATOM 0 HB2 ARG A 18 -12.156 0.124 -3.411 1.00 11.12 H new ATOM 0 HB3 ARG A 18 -11.988 1.201 -4.783 1.00 11.12 H new ATOM 0 HG2 ARG A 18 -9.454 1.235 -4.249 1.00 43.42 H new ATOM 0 HG3 ARG A 18 -9.770 -0.105 -3.166 1.00 43.42 H new ATOM 0 HD2 ARG A 18 -8.978 -0.907 -5.360 1.00 32.45 H new ATOM 0 HD3 ARG A 18 -10.602 -1.480 -5.031 1.00 32.45 H new ATOM 0 HE ARG A 18 -11.299 -0.430 -6.964 1.00 52.55 H new ATOM 0 HH11 ARG A 18 -8.414 1.341 -5.818 1.00 23.31 H new ATOM 0 HH12 ARG A 18 -8.430 2.440 -7.201 1.00 23.31 H new ATOM 0 HH21 ARG A 18 -11.252 0.984 -8.701 1.00 31.45 H new ATOM 0 HH22 ARG A 18 -10.012 2.239 -8.807 1.00 31.45 H new ATOM 302 N LYS A 19 -13.824 2.309 -1.855 1.00 41.30 N ATOM 303 CA LYS A 19 -15.194 2.825 -1.628 1.00 13.31 C ATOM 304 C LYS A 19 -15.149 4.314 -1.283 1.00 2.24 C ATOM 305 O LYS A 19 -15.911 5.126 -1.822 1.00 60.01 O ATOM 306 CB LYS A 19 -15.849 2.046 -0.461 1.00 4.12 C ATOM 307 CG LYS A 19 -17.246 2.536 -0.018 1.00 62.32 C ATOM 308 CD LYS A 19 -17.717 1.862 1.290 1.00 64.22 C ATOM 309 CE LYS A 19 -17.735 0.328 1.205 1.00 41.14 C ATOM 310 NZ LYS A 19 -18.634 -0.172 0.129 1.00 51.33 N ATOM 0 H LYS A 19 -13.544 1.595 -1.183 1.00 41.30 H new ATOM 0 HA LYS A 19 -15.779 2.690 -2.538 1.00 13.31 H new ATOM 0 HB2 LYS A 19 -15.928 0.998 -0.750 1.00 4.12 H new ATOM 0 HB3 LYS A 19 -15.181 2.090 0.399 1.00 4.12 H new ATOM 0 HG2 LYS A 19 -17.222 3.617 0.121 1.00 62.32 H new ATOM 0 HG3 LYS A 19 -17.968 2.332 -0.809 1.00 62.32 H new ATOM 0 HD2 LYS A 19 -17.061 2.167 2.105 1.00 64.22 H new ATOM 0 HD3 LYS A 19 -18.718 2.218 1.535 1.00 64.22 H new ATOM 0 HE2 LYS A 19 -16.723 -0.035 1.026 1.00 41.14 H new ATOM 0 HE3 LYS A 19 -18.056 -0.082 2.162 1.00 41.14 H new ATOM 0 HZ1 LYS A 19 -18.624 -1.212 0.124 1.00 51.33 H new ATOM 0 HZ2 LYS A 19 -19.603 0.164 0.302 1.00 51.33 H new ATOM 0 HZ3 LYS A 19 -18.304 0.182 -0.792 1.00 51.33 H new ATOM 324 N LYS A 20 -14.246 4.636 -0.363 1.00 12.10 N ATOM 325 CA LYS A 20 -14.095 5.981 0.180 1.00 5.42 C ATOM 326 C LYS A 20 -13.148 6.824 -0.687 1.00 2.12 C ATOM 327 O LYS A 20 -13.370 8.027 -0.875 1.00 1.33 O ATOM 328 CB LYS A 20 -13.596 5.876 1.638 1.00 41.21 C ATOM 329 CG LYS A 20 -14.580 5.115 2.563 1.00 14.21 C ATOM 330 CD LYS A 20 -14.151 5.119 4.044 1.00 11.32 C ATOM 331 CE LYS A 20 -14.110 6.534 4.644 1.00 45.11 C ATOM 332 NZ LYS A 20 -13.720 6.516 6.080 1.00 32.34 N ATOM 0 H LYS A 20 -13.590 3.962 0.031 1.00 12.10 H new ATOM 0 HA LYS A 20 -15.059 6.490 0.172 1.00 5.42 H new ATOM 0 HB2 LYS A 20 -12.630 5.370 1.650 1.00 41.21 H new ATOM 0 HB3 LYS A 20 -13.436 6.879 2.034 1.00 41.21 H new ATOM 0 HG2 LYS A 20 -15.569 5.564 2.477 1.00 14.21 H new ATOM 0 HG3 LYS A 20 -14.667 4.084 2.220 1.00 14.21 H new ATOM 0 HD2 LYS A 20 -14.842 4.504 4.620 1.00 11.32 H new ATOM 0 HD3 LYS A 20 -13.166 4.661 4.134 1.00 11.32 H new ATOM 0 HE2 LYS A 20 -13.403 7.146 4.083 1.00 45.11 H new ATOM 0 HE3 LYS A 20 -15.089 7.001 4.539 1.00 45.11 H new ATOM 0 HZ1 LYS A 20 -13.377 7.457 6.358 1.00 32.34 H new ATOM 0 HZ2 LYS A 20 -14.545 6.262 6.661 1.00 32.34 H new ATOM 0 HZ3 LYS A 20 -12.965 5.815 6.226 1.00 32.34 H new ATOM 346 N PHE A 21 -12.098 6.186 -1.233 1.00 45.13 N ATOM 347 CA PHE A 21 -11.081 6.864 -2.062 1.00 14.02 C ATOM 348 C PHE A 21 -10.852 6.057 -3.357 1.00 43.30 C ATOM 349 O PHE A 21 -9.895 5.277 -3.453 1.00 74.30 O ATOM 350 CB PHE A 21 -9.739 7.037 -1.289 1.00 1.14 C ATOM 351 CG PHE A 21 -9.904 7.510 0.147 1.00 62.01 C ATOM 352 CD1 PHE A 21 -10.188 8.846 0.437 1.00 22.10 C ATOM 353 CD2 PHE A 21 -9.787 6.612 1.213 1.00 2.22 C ATOM 354 CE1 PHE A 21 -10.338 9.268 1.742 1.00 11.40 C ATOM 355 CE2 PHE A 21 -9.939 7.039 2.510 1.00 40.12 C ATOM 356 CZ PHE A 21 -10.215 8.361 2.774 1.00 20.43 C ATOM 0 H PHE A 21 -11.929 5.187 -1.113 1.00 45.13 H new ATOM 0 HA PHE A 21 -11.448 7.860 -2.311 1.00 14.02 H new ATOM 0 HB2 PHE A 21 -9.208 6.085 -1.288 1.00 1.14 H new ATOM 0 HB3 PHE A 21 -9.113 7.750 -1.825 1.00 1.14 H new ATOM 0 HD1 PHE A 21 -10.291 9.557 -0.369 1.00 22.10 H new ATOM 0 HD2 PHE A 21 -9.575 5.572 1.014 1.00 2.22 H new ATOM 0 HE1 PHE A 21 -10.551 10.305 1.955 1.00 11.40 H new ATOM 0 HE2 PHE A 21 -9.842 6.336 3.324 1.00 40.12 H new ATOM 0 HZ PHE A 21 -10.336 8.690 3.795 1.00 20.43 H new ATOM 366 N PRO A 22 -11.741 6.217 -4.379 1.00 55.11 N ATOM 367 CA PRO A 22 -11.555 5.572 -5.701 1.00 3.01 C ATOM 368 C PRO A 22 -10.469 6.295 -6.532 1.00 12.44 C ATOM 369 O PRO A 22 -10.051 5.816 -7.596 1.00 34.35 O ATOM 370 CB PRO A 22 -12.957 5.704 -6.330 1.00 42.14 C ATOM 371 CG PRO A 22 -13.507 6.975 -5.756 1.00 63.32 C ATOM 372 CD PRO A 22 -12.988 7.036 -4.334 1.00 62.53 C ATOM 0 HA PRO A 22 -11.208 4.540 -5.645 1.00 3.01 H new ATOM 0 HB2 PRO A 22 -12.901 5.751 -7.418 1.00 42.14 H new ATOM 0 HB3 PRO A 22 -13.587 4.850 -6.080 1.00 42.14 H new ATOM 0 HG2 PRO A 22 -13.177 7.840 -6.331 1.00 63.32 H new ATOM 0 HG3 PRO A 22 -14.597 6.975 -5.776 1.00 63.32 H new ATOM 0 HD2 PRO A 22 -12.783 8.061 -4.026 1.00 62.53 H new ATOM 0 HD3 PRO A 22 -13.710 6.629 -3.626 1.00 62.53 H new ATOM 380 N GLN A 23 -10.032 7.461 -6.015 1.00 54.42 N ATOM 381 CA GLN A 23 -8.975 8.286 -6.606 1.00 72.33 C ATOM 382 C GLN A 23 -7.579 7.715 -6.307 1.00 34.55 C ATOM 383 O GLN A 23 -6.605 8.133 -6.922 1.00 2.32 O ATOM 384 CB GLN A 23 -9.088 9.736 -6.073 1.00 1.20 C ATOM 385 CG GLN A 23 -8.918 9.873 -4.545 1.00 25.34 C ATOM 386 CD GLN A 23 -9.181 11.288 -4.034 1.00 50.52 C ATOM 387 OE1 GLN A 23 -8.949 12.281 -4.730 1.00 34.34 O ATOM 388 NE2 GLN A 23 -9.655 11.393 -2.814 1.00 64.34 N ATOM 0 H GLN A 23 -10.416 7.858 -5.157 1.00 54.42 H new ATOM 0 HA GLN A 23 -9.106 8.284 -7.688 1.00 72.33 H new ATOM 0 HB2 GLN A 23 -8.334 10.350 -6.566 1.00 1.20 H new ATOM 0 HB3 GLN A 23 -10.061 10.138 -6.355 1.00 1.20 H new ATOM 0 HG2 GLN A 23 -9.598 9.182 -4.047 1.00 25.34 H new ATOM 0 HG3 GLN A 23 -7.905 9.577 -4.271 1.00 25.34 H new ATOM 0 HE21 GLN A 23 -9.837 10.554 -2.263 1.00 64.34 H new ATOM 0 HE22 GLN A 23 -9.842 12.314 -2.417 1.00 64.34 H new ATOM 397 N VAL A 24 -7.477 6.782 -5.339 1.00 65.34 N ATOM 398 CA VAL A 24 -6.216 6.065 -5.061 1.00 73.31 C ATOM 399 C VAL A 24 -6.370 4.586 -5.465 1.00 53.24 C ATOM 400 O VAL A 24 -7.474 4.016 -5.386 1.00 45.42 O ATOM 401 CB VAL A 24 -5.756 6.195 -3.553 1.00 44.54 C ATOM 402 CG1 VAL A 24 -5.629 7.681 -3.131 1.00 53.13 C ATOM 403 CG2 VAL A 24 -6.671 5.411 -2.583 1.00 30.44 C ATOM 0 H VAL A 24 -8.253 6.507 -4.737 1.00 65.34 H new ATOM 0 HA VAL A 24 -5.430 6.530 -5.657 1.00 73.31 H new ATOM 0 HB VAL A 24 -4.768 5.739 -3.486 1.00 44.54 H new ATOM 0 HG11 VAL A 24 -5.311 7.738 -2.090 1.00 53.13 H new ATOM 0 HG12 VAL A 24 -4.892 8.177 -3.763 1.00 53.13 H new ATOM 0 HG13 VAL A 24 -6.594 8.175 -3.243 1.00 53.13 H new ATOM 0 HG21 VAL A 24 -6.310 5.535 -1.562 1.00 30.44 H new ATOM 0 HG22 VAL A 24 -7.690 5.792 -2.656 1.00 30.44 H new ATOM 0 HG23 VAL A 24 -6.659 4.353 -2.846 1.00 30.44 H new ATOM 413 N GLU A 25 -5.272 3.981 -5.938 1.00 60.02 N ATOM 414 CA GLU A 25 -5.256 2.571 -6.356 1.00 21.42 C ATOM 415 C GLU A 25 -4.847 1.698 -5.164 1.00 65.21 C ATOM 416 O GLU A 25 -3.908 2.028 -4.436 1.00 25.31 O ATOM 417 CB GLU A 25 -4.309 2.372 -7.570 1.00 71.10 C ATOM 418 CG GLU A 25 -2.871 2.895 -7.365 1.00 52.31 C ATOM 419 CD GLU A 25 -2.010 2.804 -8.630 1.00 35.22 C ATOM 420 OE1 GLU A 25 -2.319 3.516 -9.608 1.00 42.44 O ATOM 421 OE2 GLU A 25 -1.031 2.029 -8.662 1.00 32.01 O ATOM 0 H GLU A 25 -4.373 4.452 -6.042 1.00 60.02 H new ATOM 0 HA GLU A 25 -6.253 2.270 -6.678 1.00 21.42 H new ATOM 0 HB2 GLU A 25 -4.263 1.309 -7.806 1.00 71.10 H new ATOM 0 HB3 GLU A 25 -4.742 2.872 -8.436 1.00 71.10 H new ATOM 0 HG2 GLU A 25 -2.912 3.933 -7.035 1.00 52.31 H new ATOM 0 HG3 GLU A 25 -2.394 2.326 -6.567 1.00 52.31 H new ATOM 428 N VAL A 26 -5.585 0.599 -4.949 1.00 52.33 N ATOM 429 CA VAL A 26 -5.425 -0.260 -3.768 1.00 44.34 C ATOM 430 C VAL A 26 -5.095 -1.688 -4.223 1.00 10.22 C ATOM 431 O VAL A 26 -5.878 -2.313 -4.951 1.00 32.32 O ATOM 432 CB VAL A 26 -6.714 -0.230 -2.861 1.00 50.10 C ATOM 433 CG1 VAL A 26 -6.546 -1.115 -1.609 1.00 2.41 C ATOM 434 CG2 VAL A 26 -7.081 1.222 -2.464 1.00 10.24 C ATOM 0 H VAL A 26 -6.311 0.281 -5.591 1.00 52.33 H new ATOM 0 HA VAL A 26 -4.602 0.118 -3.161 1.00 44.34 H new ATOM 0 HB VAL A 26 -7.536 -0.640 -3.448 1.00 50.10 H new ATOM 0 HG11 VAL A 26 -7.454 -1.070 -1.007 1.00 2.41 H new ATOM 0 HG12 VAL A 26 -6.363 -2.145 -1.914 1.00 2.41 H new ATOM 0 HG13 VAL A 26 -5.702 -0.756 -1.020 1.00 2.41 H new ATOM 0 HG21 VAL A 26 -7.974 1.214 -1.839 1.00 10.24 H new ATOM 0 HG22 VAL A 26 -6.255 1.668 -1.911 1.00 10.24 H new ATOM 0 HG23 VAL A 26 -7.273 1.807 -3.363 1.00 10.24 H new ATOM 444 N ARG A 27 -3.921 -2.179 -3.810 1.00 62.21 N ATOM 445 CA ARG A 27 -3.371 -3.465 -4.253 1.00 4.54 C ATOM 446 C ARG A 27 -3.518 -4.507 -3.133 1.00 61.34 C ATOM 447 O ARG A 27 -3.184 -4.220 -1.984 1.00 42.31 O ATOM 448 CB ARG A 27 -1.874 -3.282 -4.623 1.00 2.43 C ATOM 449 CG ARG A 27 -1.230 -4.534 -5.245 1.00 13.04 C ATOM 450 CD ARG A 27 -1.797 -4.879 -6.642 1.00 62.35 C ATOM 451 NE ARG A 27 -1.671 -6.316 -6.955 1.00 12.21 N ATOM 452 CZ ARG A 27 -1.224 -6.828 -8.108 1.00 64.30 C ATOM 453 NH1 ARG A 27 -0.821 -6.037 -9.101 1.00 32.30 N ATOM 454 NH2 ARG A 27 -1.219 -8.140 -8.273 1.00 13.13 N ATOM 0 H ARG A 27 -3.318 -1.688 -3.150 1.00 62.21 H new ATOM 0 HA ARG A 27 -3.917 -3.815 -5.129 1.00 4.54 H new ATOM 0 HB2 ARG A 27 -1.781 -2.451 -5.323 1.00 2.43 H new ATOM 0 HB3 ARG A 27 -1.319 -3.007 -3.726 1.00 2.43 H new ATOM 0 HG2 ARG A 27 -0.154 -4.380 -5.324 1.00 13.04 H new ATOM 0 HG3 ARG A 27 -1.382 -5.383 -4.578 1.00 13.04 H new ATOM 0 HD2 ARG A 27 -2.847 -4.590 -6.688 1.00 62.35 H new ATOM 0 HD3 ARG A 27 -1.272 -4.296 -7.399 1.00 62.35 H new ATOM 0 HE ARG A 27 -1.949 -6.977 -6.229 1.00 12.21 H new ATOM 0 HH11 ARG A 27 -0.850 -5.024 -8.990 1.00 32.30 H new ATOM 0 HH12 ARG A 27 -0.483 -6.445 -9.973 1.00 32.30 H new ATOM 0 HH21 ARG A 27 -1.553 -8.749 -7.526 1.00 13.13 H new ATOM 0 HH22 ARG A 27 -0.881 -8.543 -9.147 1.00 13.13 H new ATOM 468 N LEU A 28 -4.028 -5.706 -3.466 1.00 4.04 N ATOM 469 CA LEU A 28 -4.154 -6.822 -2.507 1.00 30.41 C ATOM 470 C LEU A 28 -2.909 -7.723 -2.576 1.00 31.42 C ATOM 471 O LEU A 28 -2.451 -8.080 -3.668 1.00 34.41 O ATOM 472 CB LEU A 28 -5.436 -7.650 -2.804 1.00 0.22 C ATOM 473 CG LEU A 28 -5.721 -8.854 -1.842 1.00 53.25 C ATOM 474 CD1 LEU A 28 -5.796 -8.403 -0.370 1.00 12.11 C ATOM 475 CD2 LEU A 28 -7.005 -9.613 -2.254 1.00 12.52 C ATOM 0 H LEU A 28 -4.364 -5.930 -4.403 1.00 4.04 H new ATOM 0 HA LEU A 28 -4.234 -6.410 -1.501 1.00 30.41 H new ATOM 0 HB2 LEU A 28 -6.293 -6.977 -2.774 1.00 0.22 H new ATOM 0 HB3 LEU A 28 -5.368 -8.034 -3.822 1.00 0.22 H new ATOM 0 HG LEU A 28 -4.881 -9.542 -1.932 1.00 53.25 H new ATOM 0 HD11 LEU A 28 -5.995 -9.266 0.265 1.00 12.11 H new ATOM 0 HD12 LEU A 28 -4.848 -7.949 -0.080 1.00 12.11 H new ATOM 0 HD13 LEU A 28 -6.598 -7.674 -0.253 1.00 12.11 H new ATOM 0 HD21 LEU A 28 -7.174 -10.442 -1.567 1.00 12.52 H new ATOM 0 HD22 LEU A 28 -7.856 -8.933 -2.219 1.00 12.52 H new ATOM 0 HD23 LEU A 28 -6.890 -9.999 -3.267 1.00 12.52 H new ATOM 487 N VAL A 29 -2.360 -8.055 -1.402 1.00 54.23 N ATOM 488 CA VAL A 29 -1.227 -8.975 -1.251 1.00 34.40 C ATOM 489 C VAL A 29 -1.592 -10.046 -0.208 1.00 24.13 C ATOM 490 O VAL A 29 -1.692 -9.752 0.990 1.00 70.41 O ATOM 491 CB VAL A 29 0.088 -8.212 -0.832 1.00 21.20 C ATOM 492 CG1 VAL A 29 1.242 -9.188 -0.520 1.00 75.33 C ATOM 493 CG2 VAL A 29 0.513 -7.192 -1.915 1.00 12.15 C ATOM 0 H VAL A 29 -2.697 -7.685 -0.513 1.00 54.23 H new ATOM 0 HA VAL A 29 -1.026 -9.449 -2.212 1.00 34.40 H new ATOM 0 HB VAL A 29 -0.138 -7.664 0.083 1.00 21.20 H new ATOM 0 HG11 VAL A 29 2.130 -8.623 -0.236 1.00 75.33 H new ATOM 0 HG12 VAL A 29 0.952 -9.845 0.300 1.00 75.33 H new ATOM 0 HG13 VAL A 29 1.461 -9.787 -1.404 1.00 75.33 H new ATOM 0 HG21 VAL A 29 1.422 -6.682 -1.597 1.00 12.15 H new ATOM 0 HG22 VAL A 29 0.699 -7.714 -2.854 1.00 12.15 H new ATOM 0 HG23 VAL A 29 -0.282 -6.460 -2.058 1.00 12.15 H new ATOM 503 N THR A 30 -1.831 -11.270 -0.690 1.00 21.43 N ATOM 504 CA THR A 30 -2.172 -12.436 0.148 1.00 3.13 C ATOM 505 C THR A 30 -0.980 -13.415 0.239 1.00 2.31 C ATOM 506 O THR A 30 -0.870 -14.193 1.196 1.00 21.41 O ATOM 507 CB THR A 30 -3.429 -13.165 -0.435 1.00 32.21 C ATOM 508 OG1 THR A 30 -3.237 -13.450 -1.840 1.00 20.24 O ATOM 509 CG2 THR A 30 -4.709 -12.321 -0.267 1.00 2.35 C ATOM 0 H THR A 30 -1.794 -11.487 -1.686 1.00 21.43 H new ATOM 0 HA THR A 30 -2.400 -12.083 1.154 1.00 3.13 H new ATOM 0 HB THR A 30 -3.549 -14.094 0.123 1.00 32.21 H new ATOM 0 HG1 THR A 30 -4.029 -13.907 -2.192 1.00 20.24 H new ATOM 0 HG21 THR A 30 -5.559 -12.862 -0.684 1.00 2.35 H new ATOM 0 HG22 THR A 30 -4.884 -12.132 0.792 1.00 2.35 H new ATOM 0 HG23 THR A 30 -4.590 -11.372 -0.790 1.00 2.35 H new ATOM 517 N THR A 31 -0.112 -13.373 -0.787 1.00 45.20 N ATOM 518 CA THR A 31 1.127 -14.168 -0.862 1.00 12.21 C ATOM 519 C THR A 31 2.304 -13.224 -1.132 1.00 24.44 C ATOM 520 O THR A 31 2.111 -12.097 -1.614 1.00 22.41 O ATOM 521 CB THR A 31 1.072 -15.256 -1.998 1.00 43.31 C ATOM 522 OG1 THR A 31 0.877 -14.635 -3.284 1.00 31.10 O ATOM 523 CG2 THR A 31 -0.038 -16.299 -1.760 1.00 2.51 C ATOM 0 H THR A 31 -0.254 -12.776 -1.601 1.00 45.20 H new ATOM 0 HA THR A 31 1.248 -14.688 0.088 1.00 12.21 H new ATOM 0 HB THR A 31 2.030 -15.776 -1.979 1.00 43.31 H new ATOM 0 HG1 THR A 31 0.215 -13.917 -3.204 1.00 31.10 H new ATOM 0 HG21 THR A 31 -0.034 -17.027 -2.572 1.00 2.51 H new ATOM 0 HG22 THR A 31 0.140 -16.810 -0.814 1.00 2.51 H new ATOM 0 HG23 THR A 31 -1.006 -15.799 -1.726 1.00 2.51 H new ATOM 531 N GLU A 32 3.520 -13.705 -0.838 1.00 42.43 N ATOM 532 CA GLU A 32 4.770 -12.986 -1.120 1.00 54.22 C ATOM 533 C GLU A 32 4.955 -12.759 -2.638 1.00 52.41 C ATOM 534 O GLU A 32 5.543 -11.758 -3.045 1.00 40.32 O ATOM 535 CB GLU A 32 5.966 -13.765 -0.515 1.00 34.11 C ATOM 536 CG GLU A 32 7.349 -13.143 -0.776 1.00 73.42 C ATOM 537 CD GLU A 32 8.466 -13.832 0.011 1.00 51.11 C ATOM 538 OE1 GLU A 32 8.701 -13.447 1.177 1.00 74.12 O ATOM 539 OE2 GLU A 32 9.138 -14.720 -0.549 1.00 72.30 O ATOM 0 H GLU A 32 3.665 -14.612 -0.394 1.00 42.43 H new ATOM 0 HA GLU A 32 4.723 -12.002 -0.654 1.00 54.22 H new ATOM 0 HB2 GLU A 32 5.819 -13.847 0.562 1.00 34.11 H new ATOM 0 HB3 GLU A 32 5.959 -14.779 -0.915 1.00 34.11 H new ATOM 0 HG2 GLU A 32 7.573 -13.200 -1.841 1.00 73.42 H new ATOM 0 HG3 GLU A 32 7.323 -12.086 -0.512 1.00 73.42 H new ATOM 546 N GLU A 33 4.400 -13.685 -3.449 1.00 2.11 N ATOM 547 CA GLU A 33 4.406 -13.607 -4.924 1.00 52.00 C ATOM 548 C GLU A 33 3.679 -12.335 -5.426 1.00 42.31 C ATOM 549 O GLU A 33 4.173 -11.647 -6.345 1.00 33.11 O ATOM 550 CB GLU A 33 3.756 -14.885 -5.515 1.00 42.20 C ATOM 551 CG GLU A 33 4.463 -16.199 -5.134 1.00 40.34 C ATOM 552 CD GLU A 33 3.759 -17.439 -5.712 1.00 11.31 C ATOM 553 OE1 GLU A 33 2.832 -17.970 -5.058 1.00 53.25 O ATOM 554 OE2 GLU A 33 4.122 -17.884 -6.825 1.00 21.52 O ATOM 0 H GLU A 33 3.930 -14.517 -3.093 1.00 2.11 H new ATOM 0 HA GLU A 33 5.440 -13.543 -5.264 1.00 52.00 H new ATOM 0 HB2 GLU A 33 2.719 -14.936 -5.183 1.00 42.20 H new ATOM 0 HB3 GLU A 33 3.739 -14.799 -6.601 1.00 42.20 H new ATOM 0 HG2 GLU A 33 5.492 -16.170 -5.492 1.00 40.34 H new ATOM 0 HG3 GLU A 33 4.505 -16.283 -4.048 1.00 40.34 H new ATOM 561 N ASP A 34 2.526 -12.009 -4.787 1.00 1.13 N ATOM 562 CA ASP A 34 1.798 -10.750 -5.062 1.00 14.52 C ATOM 563 C ASP A 34 2.734 -9.560 -4.809 1.00 42.43 C ATOM 564 O ASP A 34 2.874 -8.688 -5.659 1.00 33.14 O ATOM 565 CB ASP A 34 0.535 -10.581 -4.169 1.00 32.31 C ATOM 566 CG ASP A 34 -0.592 -11.591 -4.433 1.00 45.11 C ATOM 567 OD1 ASP A 34 -1.116 -11.621 -5.572 1.00 24.12 O ATOM 568 OD2 ASP A 34 -0.970 -12.350 -3.498 1.00 4.15 O ATOM 0 H ASP A 34 2.085 -12.599 -4.082 1.00 1.13 H new ATOM 0 HA ASP A 34 1.472 -10.787 -6.101 1.00 14.52 H new ATOM 0 HB2 ASP A 34 0.835 -10.660 -3.124 1.00 32.31 H new ATOM 0 HB3 ASP A 34 0.141 -9.575 -4.312 1.00 32.31 H new ATOM 573 N ALA A 35 3.429 -9.607 -3.652 1.00 13.12 N ATOM 574 CA ALA A 35 4.334 -8.538 -3.199 1.00 65.45 C ATOM 575 C ALA A 35 5.519 -8.333 -4.162 1.00 64.32 C ATOM 576 O ALA A 35 6.003 -7.214 -4.305 1.00 73.35 O ATOM 577 CB ALA A 35 4.834 -8.837 -1.782 1.00 63.33 C ATOM 0 H ALA A 35 3.375 -10.394 -3.005 1.00 13.12 H new ATOM 0 HA ALA A 35 3.767 -7.607 -3.190 1.00 65.45 H new ATOM 0 HB1 ALA A 35 5.503 -8.040 -1.456 1.00 63.33 H new ATOM 0 HB2 ALA A 35 3.984 -8.898 -1.102 1.00 63.33 H new ATOM 0 HB3 ALA A 35 5.371 -9.786 -1.778 1.00 63.33 H new ATOM 583 N LYS A 36 5.970 -9.429 -4.819 1.00 25.41 N ATOM 584 CA LYS A 36 7.027 -9.381 -5.857 1.00 34.14 C ATOM 585 C LYS A 36 6.544 -8.583 -7.084 1.00 25.42 C ATOM 586 O LYS A 36 7.298 -7.790 -7.665 1.00 3.51 O ATOM 587 CB LYS A 36 7.442 -10.822 -6.280 1.00 75.34 C ATOM 588 CG LYS A 36 7.934 -11.711 -5.113 1.00 30.13 C ATOM 589 CD LYS A 36 8.316 -13.152 -5.539 1.00 74.50 C ATOM 590 CE LYS A 36 9.559 -13.210 -6.442 1.00 52.11 C ATOM 591 NZ LYS A 36 10.765 -12.640 -5.778 1.00 24.01 N ATOM 0 H LYS A 36 5.612 -10.368 -4.645 1.00 25.41 H new ATOM 0 HA LYS A 36 7.898 -8.878 -5.436 1.00 34.14 H new ATOM 0 HB2 LYS A 36 6.591 -11.307 -6.757 1.00 75.34 H new ATOM 0 HB3 LYS A 36 8.232 -10.755 -7.028 1.00 75.34 H new ATOM 0 HG2 LYS A 36 8.800 -11.238 -4.649 1.00 30.13 H new ATOM 0 HG3 LYS A 36 7.153 -11.762 -4.354 1.00 30.13 H new ATOM 0 HD2 LYS A 36 8.495 -13.752 -4.647 1.00 74.50 H new ATOM 0 HD3 LYS A 36 7.474 -13.604 -6.063 1.00 74.50 H new ATOM 0 HE2 LYS A 36 9.755 -14.245 -6.721 1.00 52.11 H new ATOM 0 HE3 LYS A 36 9.362 -12.663 -7.364 1.00 52.11 H new ATOM 0 HZ1 LYS A 36 11.610 -12.866 -6.340 1.00 24.01 H new ATOM 0 HZ2 LYS A 36 10.665 -11.608 -5.703 1.00 24.01 H new ATOM 0 HZ3 LYS A 36 10.863 -13.048 -4.827 1.00 24.01 H new ATOM 605 N GLN A 37 5.273 -8.812 -7.466 1.00 22.31 N ATOM 606 CA GLN A 37 4.611 -8.045 -8.544 1.00 23.21 C ATOM 607 C GLN A 37 4.474 -6.552 -8.163 1.00 61.44 C ATOM 608 O GLN A 37 4.585 -5.680 -9.024 1.00 63.43 O ATOM 609 CB GLN A 37 3.212 -8.644 -8.857 1.00 35.33 C ATOM 610 CG GLN A 37 3.220 -10.122 -9.307 1.00 23.11 C ATOM 611 CD GLN A 37 1.814 -10.694 -9.516 1.00 30.11 C ATOM 612 OE1 GLN A 37 0.858 -10.269 -8.872 1.00 72.43 O ATOM 613 NE2 GLN A 37 1.677 -11.653 -10.421 1.00 51.11 N ATOM 0 H GLN A 37 4.680 -9.526 -7.043 1.00 22.31 H new ATOM 0 HA GLN A 37 5.235 -8.115 -9.435 1.00 23.21 H new ATOM 0 HB2 GLN A 37 2.588 -8.554 -7.968 1.00 35.33 H new ATOM 0 HB3 GLN A 37 2.743 -8.045 -9.638 1.00 35.33 H new ATOM 0 HG2 GLN A 37 3.783 -10.210 -10.236 1.00 23.11 H new ATOM 0 HG3 GLN A 37 3.742 -10.720 -8.560 1.00 23.11 H new ATOM 0 HE21 GLN A 37 2.490 -11.985 -10.940 1.00 51.11 H new ATOM 0 HE22 GLN A 37 0.758 -12.059 -10.599 1.00 51.11 H new ATOM 622 N VAL A 38 4.234 -6.283 -6.861 1.00 71.34 N ATOM 623 CA VAL A 38 4.048 -4.914 -6.328 1.00 21.21 C ATOM 624 C VAL A 38 5.382 -4.133 -6.273 1.00 20.02 C ATOM 625 O VAL A 38 5.393 -2.919 -6.485 1.00 4.41 O ATOM 626 CB VAL A 38 3.366 -4.949 -4.906 1.00 22.41 C ATOM 627 CG1 VAL A 38 3.070 -3.536 -4.352 1.00 73.31 C ATOM 628 CG2 VAL A 38 2.072 -5.779 -4.948 1.00 64.10 C ATOM 0 H VAL A 38 4.164 -7.009 -6.148 1.00 71.34 H new ATOM 0 HA VAL A 38 3.386 -4.388 -7.016 1.00 21.21 H new ATOM 0 HB VAL A 38 4.079 -5.419 -4.229 1.00 22.41 H new ATOM 0 HG11 VAL A 38 2.601 -3.620 -3.372 1.00 73.31 H new ATOM 0 HG12 VAL A 38 4.002 -2.978 -4.262 1.00 73.31 H new ATOM 0 HG13 VAL A 38 2.398 -3.012 -5.032 1.00 73.31 H new ATOM 0 HG21 VAL A 38 1.616 -5.792 -3.958 1.00 64.10 H new ATOM 0 HG22 VAL A 38 1.378 -5.335 -5.662 1.00 64.10 H new ATOM 0 HG23 VAL A 38 2.304 -6.799 -5.254 1.00 64.10 H new ATOM 638 N ILE A 39 6.506 -4.837 -6.003 1.00 2.41 N ATOM 639 CA ILE A 39 7.856 -4.220 -6.024 1.00 65.33 C ATOM 640 C ILE A 39 8.162 -3.659 -7.435 1.00 31.33 C ATOM 641 O ILE A 39 8.671 -2.541 -7.574 1.00 14.41 O ATOM 642 CB ILE A 39 8.979 -5.242 -5.566 1.00 31.45 C ATOM 643 CG1 ILE A 39 8.783 -5.629 -4.065 1.00 73.31 C ATOM 644 CG2 ILE A 39 10.405 -4.678 -5.801 1.00 12.13 C ATOM 645 CD1 ILE A 39 9.782 -6.635 -3.517 1.00 61.52 C ATOM 0 H ILE A 39 6.507 -5.830 -5.769 1.00 2.41 H new ATOM 0 HA ILE A 39 7.860 -3.398 -5.308 1.00 65.33 H new ATOM 0 HB ILE A 39 8.878 -6.138 -6.179 1.00 31.45 H new ATOM 0 HG12 ILE A 39 8.838 -4.722 -3.463 1.00 73.31 H new ATOM 0 HG13 ILE A 39 7.779 -6.034 -3.940 1.00 73.31 H new ATOM 0 HG21 ILE A 39 11.144 -5.409 -5.474 1.00 12.13 H new ATOM 0 HG22 ILE A 39 10.544 -4.471 -6.862 1.00 12.13 H new ATOM 0 HG23 ILE A 39 10.530 -3.757 -5.232 1.00 12.13 H new ATOM 0 HD11 ILE A 39 9.559 -6.835 -2.469 1.00 61.52 H new ATOM 0 HD12 ILE A 39 9.714 -7.562 -4.086 1.00 61.52 H new ATOM 0 HD13 ILE A 39 10.790 -6.230 -3.602 1.00 61.52 H new ATOM 657 N LYS A 40 7.797 -4.441 -8.467 1.00 21.01 N ATOM 658 CA LYS A 40 7.920 -4.031 -9.880 1.00 22.01 C ATOM 659 C LYS A 40 6.974 -2.859 -10.197 1.00 42.14 C ATOM 660 O LYS A 40 7.375 -1.876 -10.827 1.00 73.31 O ATOM 661 CB LYS A 40 7.573 -5.218 -10.809 1.00 72.52 C ATOM 662 CG LYS A 40 8.482 -6.438 -10.636 1.00 72.25 C ATOM 663 CD LYS A 40 8.055 -7.611 -11.540 1.00 75.14 C ATOM 664 CE LYS A 40 8.988 -8.811 -11.390 1.00 2.43 C ATOM 665 NZ LYS A 40 9.108 -9.230 -9.967 1.00 31.30 N ATOM 0 H LYS A 40 7.408 -5.376 -8.346 1.00 21.01 H new ATOM 0 HA LYS A 40 8.949 -3.714 -10.048 1.00 22.01 H new ATOM 0 HB2 LYS A 40 6.542 -5.519 -10.626 1.00 72.52 H new ATOM 0 HB3 LYS A 40 7.628 -4.882 -11.845 1.00 72.52 H new ATOM 0 HG2 LYS A 40 9.510 -6.159 -10.866 1.00 72.25 H new ATOM 0 HG3 LYS A 40 8.464 -6.758 -9.594 1.00 72.25 H new ATOM 0 HD2 LYS A 40 7.036 -7.909 -11.292 1.00 75.14 H new ATOM 0 HD3 LYS A 40 8.047 -7.284 -12.580 1.00 75.14 H new ATOM 0 HE2 LYS A 40 8.612 -9.643 -11.986 1.00 2.43 H new ATOM 0 HE3 LYS A 40 9.974 -8.559 -11.781 1.00 2.43 H new ATOM 0 HZ1 LYS A 40 9.149 -10.268 -9.913 1.00 31.30 H new ATOM 0 HZ2 LYS A 40 9.975 -8.827 -9.558 1.00 31.30 H new ATOM 0 HZ3 LYS A 40 8.283 -8.888 -9.434 1.00 31.30 H new ATOM 679 N GLU A 41 5.716 -3.009 -9.737 1.00 42.12 N ATOM 680 CA GLU A 41 4.609 -2.088 -10.012 1.00 22.35 C ATOM 681 C GLU A 41 4.952 -0.671 -9.530 1.00 1.14 C ATOM 682 O GLU A 41 5.139 0.219 -10.357 1.00 54.12 O ATOM 683 CB GLU A 41 3.330 -2.633 -9.319 1.00 40.32 C ATOM 684 CG GLU A 41 2.050 -1.819 -9.547 1.00 73.24 C ATOM 685 CD GLU A 41 0.839 -2.421 -8.809 1.00 73.35 C ATOM 686 OE1 GLU A 41 0.677 -2.148 -7.599 1.00 75.04 O ATOM 687 OE2 GLU A 41 0.050 -3.173 -9.436 1.00 12.20 O ATOM 0 H GLU A 41 5.441 -3.796 -9.149 1.00 42.12 H new ATOM 0 HA GLU A 41 4.433 -2.024 -11.086 1.00 22.35 H new ATOM 0 HB2 GLU A 41 3.157 -3.652 -9.666 1.00 40.32 H new ATOM 0 HB3 GLU A 41 3.516 -2.689 -8.247 1.00 40.32 H new ATOM 0 HG2 GLU A 41 2.207 -0.795 -9.208 1.00 73.24 H new ATOM 0 HG3 GLU A 41 1.836 -1.772 -10.615 1.00 73.24 H new ATOM 694 N ILE A 42 5.140 -0.526 -8.197 1.00 11.42 N ATOM 695 CA ILE A 42 5.443 0.758 -7.518 1.00 61.00 C ATOM 696 C ILE A 42 6.574 1.551 -8.224 1.00 42.40 C ATOM 697 O ILE A 42 6.434 2.761 -8.476 1.00 31.04 O ATOM 698 CB ILE A 42 5.825 0.499 -6.003 1.00 62.43 C ATOM 699 CG1 ILE A 42 4.607 -0.079 -5.206 1.00 73.22 C ATOM 700 CG2 ILE A 42 6.361 1.778 -5.318 1.00 21.20 C ATOM 701 CD1 ILE A 42 4.924 -0.466 -3.766 1.00 62.33 C ATOM 0 H ILE A 42 5.084 -1.313 -7.550 1.00 11.42 H new ATOM 0 HA ILE A 42 4.541 1.368 -7.570 1.00 61.00 H new ATOM 0 HB ILE A 42 6.625 -0.241 -5.997 1.00 62.43 H new ATOM 0 HG12 ILE A 42 3.806 0.661 -5.203 1.00 73.22 H new ATOM 0 HG13 ILE A 42 4.228 -0.956 -5.730 1.00 73.22 H new ATOM 0 HG21 ILE A 42 6.611 1.557 -4.280 1.00 21.20 H new ATOM 0 HG22 ILE A 42 7.253 2.124 -5.841 1.00 21.20 H new ATOM 0 HG23 ILE A 42 5.597 2.555 -5.350 1.00 21.20 H new ATOM 0 HD11 ILE A 42 4.026 -0.856 -3.288 1.00 62.33 H new ATOM 0 HD12 ILE A 42 5.701 -1.230 -3.757 1.00 62.33 H new ATOM 0 HD13 ILE A 42 5.272 0.412 -3.222 1.00 62.33 H new ATOM 713 N GLN A 43 7.662 0.844 -8.578 1.00 64.43 N ATOM 714 CA GLN A 43 8.837 1.456 -9.223 1.00 10.51 C ATOM 715 C GLN A 43 8.504 1.951 -10.649 1.00 24.43 C ATOM 716 O GLN A 43 8.781 3.101 -10.989 1.00 22.25 O ATOM 717 CB GLN A 43 10.018 0.456 -9.253 1.00 72.33 C ATOM 718 CG GLN A 43 10.524 0.031 -7.859 1.00 24.10 C ATOM 719 CD GLN A 43 11.692 -0.963 -7.904 1.00 23.20 C ATOM 720 OE1 GLN A 43 12.510 -0.946 -8.824 1.00 40.13 O ATOM 721 NE2 GLN A 43 11.768 -1.840 -6.915 1.00 62.02 N ATOM 0 H GLN A 43 7.751 -0.161 -8.426 1.00 64.43 H new ATOM 0 HA GLN A 43 9.130 2.324 -8.632 1.00 10.51 H new ATOM 0 HB2 GLN A 43 9.712 -0.434 -9.803 1.00 72.33 H new ATOM 0 HB3 GLN A 43 10.844 0.903 -9.806 1.00 72.33 H new ATOM 0 HG2 GLN A 43 10.835 0.919 -7.309 1.00 24.10 H new ATOM 0 HG3 GLN A 43 9.699 -0.416 -7.303 1.00 24.10 H new ATOM 0 HE21 GLN A 43 11.074 -1.827 -6.168 1.00 62.02 H new ATOM 0 HE22 GLN A 43 12.521 -2.528 -6.900 1.00 62.02 H new ATOM 730 N LYS A 44 7.872 1.087 -11.463 1.00 2.34 N ATOM 731 CA LYS A 44 7.548 1.408 -12.870 1.00 44.23 C ATOM 732 C LYS A 44 6.365 2.389 -12.999 1.00 34.32 C ATOM 733 O LYS A 44 6.168 2.993 -14.060 1.00 13.42 O ATOM 734 CB LYS A 44 7.277 0.109 -13.671 1.00 4.01 C ATOM 735 CG LYS A 44 8.486 -0.864 -13.750 1.00 73.45 C ATOM 736 CD LYS A 44 9.786 -0.225 -14.315 1.00 52.33 C ATOM 737 CE LYS A 44 9.636 0.287 -15.763 1.00 53.34 C ATOM 738 NZ LYS A 44 9.289 -0.798 -16.725 1.00 54.34 N ATOM 0 H LYS A 44 7.573 0.156 -11.172 1.00 2.34 H new ATOM 0 HA LYS A 44 8.417 1.912 -13.292 1.00 44.23 H new ATOM 0 HB2 LYS A 44 6.435 -0.414 -13.217 1.00 4.01 H new ATOM 0 HB3 LYS A 44 6.976 0.378 -14.684 1.00 4.01 H new ATOM 0 HG2 LYS A 44 8.690 -1.253 -12.752 1.00 73.45 H new ATOM 0 HG3 LYS A 44 8.212 -1.715 -14.374 1.00 73.45 H new ATOM 0 HD2 LYS A 44 10.084 0.604 -13.673 1.00 52.33 H new ATOM 0 HD3 LYS A 44 10.590 -0.961 -14.279 1.00 52.33 H new ATOM 0 HE2 LYS A 44 8.863 1.055 -15.794 1.00 53.34 H new ATOM 0 HE3 LYS A 44 10.567 0.759 -16.075 1.00 53.34 H new ATOM 0 HZ1 LYS A 44 9.251 -0.408 -17.689 1.00 54.34 H new ATOM 0 HZ2 LYS A 44 10.012 -1.544 -16.682 1.00 54.34 H new ATOM 0 HZ3 LYS A 44 8.362 -1.199 -16.476 1.00 54.34 H new ATOM 752 N LYS A 45 5.577 2.524 -11.923 1.00 21.34 N ATOM 753 CA LYS A 45 4.505 3.525 -11.842 1.00 1.02 C ATOM 754 C LYS A 45 5.071 4.889 -11.401 1.00 13.11 C ATOM 755 O LYS A 45 4.465 5.926 -11.669 1.00 41.31 O ATOM 756 CB LYS A 45 3.416 3.075 -10.832 1.00 24.33 C ATOM 757 CG LYS A 45 2.633 1.768 -11.146 1.00 41.20 C ATOM 758 CD LYS A 45 1.843 1.779 -12.483 1.00 4.54 C ATOM 759 CE LYS A 45 2.646 1.226 -13.667 1.00 62.25 C ATOM 760 NZ LYS A 45 1.869 1.266 -14.932 1.00 34.35 N ATOM 0 H LYS A 45 5.664 1.945 -11.088 1.00 21.34 H new ATOM 0 HA LYS A 45 4.061 3.622 -12.833 1.00 1.02 H new ATOM 0 HB2 LYS A 45 3.891 2.955 -9.858 1.00 24.33 H new ATOM 0 HB3 LYS A 45 2.692 3.885 -10.737 1.00 24.33 H new ATOM 0 HG2 LYS A 45 3.337 0.936 -11.165 1.00 41.20 H new ATOM 0 HG3 LYS A 45 1.935 1.576 -10.331 1.00 41.20 H new ATOM 0 HD2 LYS A 45 0.933 1.191 -12.364 1.00 4.54 H new ATOM 0 HD3 LYS A 45 1.536 2.801 -12.707 1.00 4.54 H new ATOM 0 HE2 LYS A 45 3.562 1.804 -13.786 1.00 62.25 H new ATOM 0 HE3 LYS A 45 2.943 0.199 -13.456 1.00 62.25 H new ATOM 0 HZ1 LYS A 45 2.448 0.884 -15.707 1.00 34.35 H new ATOM 0 HZ2 LYS A 45 1.007 0.693 -14.828 1.00 34.35 H new ATOM 0 HZ3 LYS A 45 1.607 2.249 -15.148 1.00 34.35 H new ATOM 774 N GLY A 46 6.230 4.860 -10.711 1.00 13.00 N ATOM 775 CA GLY A 46 6.843 6.072 -10.169 1.00 2.51 C ATOM 776 C GLY A 46 6.065 6.622 -8.983 1.00 51.00 C ATOM 777 O GLY A 46 5.815 7.825 -8.903 1.00 32.01 O ATOM 0 H GLY A 46 6.754 4.006 -10.520 1.00 13.00 H new ATOM 0 HA2 GLY A 46 7.866 5.855 -9.862 1.00 2.51 H new ATOM 0 HA3 GLY A 46 6.898 6.831 -10.950 1.00 2.51 H new ATOM 781 N VAL A 47 5.682 5.724 -8.064 1.00 33.53 N ATOM 782 CA VAL A 47 4.885 6.071 -6.872 1.00 5.11 C ATOM 783 C VAL A 47 5.782 6.752 -5.830 1.00 21.04 C ATOM 784 O VAL A 47 6.894 6.281 -5.565 1.00 43.22 O ATOM 785 CB VAL A 47 4.213 4.790 -6.264 1.00 2.42 C ATOM 786 CG1 VAL A 47 3.296 5.123 -5.065 1.00 72.34 C ATOM 787 CG2 VAL A 47 3.439 4.028 -7.356 1.00 21.24 C ATOM 0 H VAL A 47 5.915 4.733 -8.124 1.00 33.53 H new ATOM 0 HA VAL A 47 4.094 6.761 -7.166 1.00 5.11 H new ATOM 0 HB VAL A 47 5.008 4.150 -5.882 1.00 2.42 H new ATOM 0 HG11 VAL A 47 2.854 4.204 -4.679 1.00 72.34 H new ATOM 0 HG12 VAL A 47 3.882 5.601 -4.280 1.00 72.34 H new ATOM 0 HG13 VAL A 47 2.504 5.798 -5.389 1.00 72.34 H new ATOM 0 HG21 VAL A 47 2.977 3.141 -6.923 1.00 21.24 H new ATOM 0 HG22 VAL A 47 2.666 4.674 -7.772 1.00 21.24 H new ATOM 0 HG23 VAL A 47 4.126 3.729 -8.148 1.00 21.24 H new ATOM 797 N GLN A 48 5.300 7.870 -5.266 1.00 12.44 N ATOM 798 CA GLN A 48 6.076 8.704 -4.336 1.00 13.40 C ATOM 799 C GLN A 48 5.888 8.166 -2.902 1.00 3.45 C ATOM 800 O GLN A 48 6.864 7.928 -2.181 1.00 22.32 O ATOM 801 CB GLN A 48 5.609 10.195 -4.492 1.00 62.24 C ATOM 802 CG GLN A 48 6.614 11.284 -4.018 1.00 24.14 C ATOM 803 CD GLN A 48 6.512 11.639 -2.531 1.00 42.42 C ATOM 804 OE1 GLN A 48 7.167 11.036 -1.681 1.00 64.04 O ATOM 805 NE2 GLN A 48 5.700 12.635 -2.212 1.00 13.30 N ATOM 0 H GLN A 48 4.359 8.222 -5.443 1.00 12.44 H new ATOM 0 HA GLN A 48 7.142 8.666 -4.558 1.00 13.40 H new ATOM 0 HB2 GLN A 48 5.381 10.374 -5.543 1.00 62.24 H new ATOM 0 HB3 GLN A 48 4.679 10.322 -3.937 1.00 62.24 H new ATOM 0 HG2 GLN A 48 7.627 10.941 -4.228 1.00 24.14 H new ATOM 0 HG3 GLN A 48 6.455 12.188 -4.606 1.00 24.14 H new ATOM 0 HE21 GLN A 48 5.171 13.115 -2.940 1.00 13.30 H new ATOM 0 HE22 GLN A 48 5.604 12.923 -1.238 1.00 13.30 H new ATOM 814 N LYS A 49 4.615 7.955 -2.514 1.00 63.34 N ATOM 815 CA LYS A 49 4.243 7.454 -1.170 1.00 20.01 C ATOM 816 C LYS A 49 3.308 6.231 -1.281 1.00 53.41 C ATOM 817 O LYS A 49 2.392 6.211 -2.110 1.00 51.32 O ATOM 818 CB LYS A 49 3.586 8.599 -0.339 1.00 71.45 C ATOM 819 CG LYS A 49 4.596 9.698 0.079 1.00 74.23 C ATOM 820 CD LYS A 49 3.964 10.937 0.751 1.00 74.31 C ATOM 821 CE LYS A 49 3.128 11.773 -0.217 1.00 31.31 C ATOM 822 NZ LYS A 49 2.675 13.053 0.391 1.00 43.32 N ATOM 0 H LYS A 49 3.813 8.126 -3.121 1.00 63.34 H new ATOM 0 HA LYS A 49 5.145 7.129 -0.651 1.00 20.01 H new ATOM 0 HB2 LYS A 49 2.785 9.052 -0.924 1.00 71.45 H new ATOM 0 HB3 LYS A 49 3.128 8.175 0.555 1.00 71.45 H new ATOM 0 HG2 LYS A 49 5.323 9.262 0.764 1.00 74.23 H new ATOM 0 HG3 LYS A 49 5.145 10.022 -0.805 1.00 74.23 H new ATOM 0 HD2 LYS A 49 3.336 10.614 1.581 1.00 74.31 H new ATOM 0 HD3 LYS A 49 4.754 11.559 1.172 1.00 74.31 H new ATOM 0 HE2 LYS A 49 3.715 11.985 -1.111 1.00 31.31 H new ATOM 0 HE3 LYS A 49 2.259 11.197 -0.535 1.00 31.31 H new ATOM 0 HZ1 LYS A 49 2.276 13.666 -0.348 1.00 43.32 H new ATOM 0 HZ2 LYS A 49 1.949 12.858 1.109 1.00 43.32 H new ATOM 0 HZ3 LYS A 49 3.484 13.531 0.837 1.00 43.32 H new ATOM 836 N VAL A 50 3.575 5.206 -0.445 1.00 71.50 N ATOM 837 CA VAL A 50 2.816 3.938 -0.392 1.00 44.12 C ATOM 838 C VAL A 50 2.319 3.702 1.047 1.00 72.21 C ATOM 839 O VAL A 50 3.049 3.972 2.006 1.00 4.21 O ATOM 840 CB VAL A 50 3.733 2.723 -0.839 1.00 43.20 C ATOM 841 CG1 VAL A 50 3.001 1.357 -0.765 1.00 13.34 C ATOM 842 CG2 VAL A 50 4.308 2.968 -2.252 1.00 65.13 C ATOM 0 H VAL A 50 4.341 5.237 0.227 1.00 71.50 H new ATOM 0 HA VAL A 50 1.967 4.006 -1.073 1.00 44.12 H new ATOM 0 HB VAL A 50 4.557 2.669 -0.128 1.00 43.20 H new ATOM 0 HG11 VAL A 50 3.678 0.564 -1.082 1.00 13.34 H new ATOM 0 HG12 VAL A 50 2.680 1.171 0.260 1.00 13.34 H new ATOM 0 HG13 VAL A 50 2.130 1.375 -1.420 1.00 13.34 H new ATOM 0 HG21 VAL A 50 4.934 2.124 -2.541 1.00 65.13 H new ATOM 0 HG22 VAL A 50 3.490 3.074 -2.964 1.00 65.13 H new ATOM 0 HG23 VAL A 50 4.906 3.879 -2.248 1.00 65.13 H new ATOM 852 N VAL A 51 1.080 3.201 1.192 1.00 21.53 N ATOM 853 CA VAL A 51 0.510 2.807 2.493 1.00 51.50 C ATOM 854 C VAL A 51 0.530 1.273 2.602 1.00 75.43 C ATOM 855 O VAL A 51 0.147 0.586 1.660 1.00 3.23 O ATOM 856 CB VAL A 51 -0.975 3.316 2.645 1.00 62.42 C ATOM 857 CG1 VAL A 51 -1.562 2.956 4.024 1.00 15.10 C ATOM 858 CG2 VAL A 51 -1.081 4.832 2.390 1.00 61.34 C ATOM 0 H VAL A 51 0.443 3.057 0.408 1.00 21.53 H new ATOM 0 HA VAL A 51 1.109 3.258 3.284 1.00 51.50 H new ATOM 0 HB VAL A 51 -1.565 2.803 1.886 1.00 62.42 H new ATOM 0 HG11 VAL A 51 -2.586 3.323 4.091 1.00 15.10 H new ATOM 0 HG12 VAL A 51 -1.556 1.873 4.151 1.00 15.10 H new ATOM 0 HG13 VAL A 51 -0.960 3.416 4.807 1.00 15.10 H new ATOM 0 HG21 VAL A 51 -2.118 5.148 2.503 1.00 61.34 H new ATOM 0 HG22 VAL A 51 -0.458 5.366 3.108 1.00 61.34 H new ATOM 0 HG23 VAL A 51 -0.742 5.055 1.378 1.00 61.34 H new ATOM 868 N LEU A 52 1.001 0.741 3.736 1.00 42.50 N ATOM 869 CA LEU A 52 0.957 -0.697 4.041 1.00 11.53 C ATOM 870 C LEU A 52 -0.006 -0.939 5.226 1.00 12.24 C ATOM 871 O LEU A 52 0.348 -0.687 6.388 1.00 5.10 O ATOM 872 CB LEU A 52 2.399 -1.208 4.346 1.00 2.00 C ATOM 873 CG LEU A 52 3.424 -1.178 3.152 1.00 14.12 C ATOM 874 CD1 LEU A 52 4.809 -1.715 3.568 1.00 74.21 C ATOM 875 CD2 LEU A 52 2.902 -1.956 1.938 1.00 22.41 C ATOM 0 H LEU A 52 1.427 1.300 4.475 1.00 42.50 H new ATOM 0 HA LEU A 52 0.581 -1.257 3.185 1.00 11.53 H new ATOM 0 HB2 LEU A 52 2.807 -0.610 5.161 1.00 2.00 H new ATOM 0 HB3 LEU A 52 2.328 -2.234 4.708 1.00 2.00 H new ATOM 0 HG LEU A 52 3.536 -0.131 2.869 1.00 14.12 H new ATOM 0 HD11 LEU A 52 5.486 -1.677 2.714 1.00 74.21 H new ATOM 0 HD12 LEU A 52 5.209 -1.102 4.376 1.00 74.21 H new ATOM 0 HD13 LEU A 52 4.712 -2.746 3.908 1.00 74.21 H new ATOM 0 HD21 LEU A 52 3.637 -1.912 1.134 1.00 22.41 H new ATOM 0 HD22 LEU A 52 2.732 -2.996 2.218 1.00 22.41 H new ATOM 0 HD23 LEU A 52 1.966 -1.514 1.598 1.00 22.41 H new ATOM 887 N VAL A 53 -1.231 -1.401 4.913 1.00 61.40 N ATOM 888 CA VAL A 53 -2.311 -1.602 5.895 1.00 52.23 C ATOM 889 C VAL A 53 -2.211 -3.010 6.520 1.00 53.31 C ATOM 890 O VAL A 53 -2.654 -4.001 5.911 1.00 10.30 O ATOM 891 CB VAL A 53 -3.742 -1.403 5.251 1.00 12.24 C ATOM 892 CG1 VAL A 53 -4.858 -1.367 6.329 1.00 3.53 C ATOM 893 CG2 VAL A 53 -3.788 -0.144 4.354 1.00 63.20 C ATOM 0 H VAL A 53 -1.501 -1.648 3.961 1.00 61.40 H new ATOM 0 HA VAL A 53 -2.187 -0.847 6.672 1.00 52.23 H new ATOM 0 HB VAL A 53 -3.932 -2.269 4.616 1.00 12.24 H new ATOM 0 HG11 VAL A 53 -5.826 -1.229 5.847 1.00 3.53 H new ATOM 0 HG12 VAL A 53 -4.859 -2.306 6.883 1.00 3.53 H new ATOM 0 HG13 VAL A 53 -4.674 -0.541 7.016 1.00 3.53 H new ATOM 0 HG21 VAL A 53 -4.785 -0.037 3.928 1.00 63.20 H new ATOM 0 HG22 VAL A 53 -3.553 0.737 4.951 1.00 63.20 H new ATOM 0 HG23 VAL A 53 -3.058 -0.243 3.550 1.00 63.20 H new ATOM 903 N GLY A 54 -1.590 -3.067 7.714 1.00 25.34 N ATOM 904 CA GLY A 54 -1.483 -4.289 8.519 1.00 32.20 C ATOM 905 C GLY A 54 -0.763 -5.443 7.825 1.00 74.41 C ATOM 906 O GLY A 54 -1.237 -6.589 7.846 1.00 1.14 O ATOM 0 H GLY A 54 -1.146 -2.257 8.146 1.00 25.34 H new ATOM 0 HA2 GLY A 54 -0.958 -4.054 9.445 1.00 32.20 H new ATOM 0 HA3 GLY A 54 -2.485 -4.616 8.795 1.00 32.20 H new ATOM 910 N VAL A 55 0.381 -5.133 7.202 1.00 15.04 N ATOM 911 CA VAL A 55 1.214 -6.135 6.501 1.00 21.15 C ATOM 912 C VAL A 55 2.281 -6.701 7.454 1.00 72.44 C ATOM 913 O VAL A 55 2.553 -6.112 8.506 1.00 41.11 O ATOM 914 CB VAL A 55 1.909 -5.520 5.227 1.00 51.05 C ATOM 915 CG1 VAL A 55 0.872 -4.854 4.282 1.00 53.30 C ATOM 916 CG2 VAL A 55 3.041 -4.535 5.612 1.00 50.55 C ATOM 0 H VAL A 55 0.759 -4.186 7.166 1.00 15.04 H new ATOM 0 HA VAL A 55 0.556 -6.940 6.173 1.00 21.15 H new ATOM 0 HB VAL A 55 2.370 -6.343 4.680 1.00 51.05 H new ATOM 0 HG11 VAL A 55 1.384 -4.440 3.414 1.00 53.30 H new ATOM 0 HG12 VAL A 55 0.147 -5.599 3.954 1.00 53.30 H new ATOM 0 HG13 VAL A 55 0.356 -4.055 4.814 1.00 53.30 H new ATOM 0 HG21 VAL A 55 3.496 -4.132 4.707 1.00 50.55 H new ATOM 0 HG22 VAL A 55 2.627 -3.719 6.205 1.00 50.55 H new ATOM 0 HG23 VAL A 55 3.797 -5.060 6.195 1.00 50.55 H new ATOM 926 N SER A 56 2.887 -7.837 7.073 1.00 44.32 N ATOM 927 CA SER A 56 4.007 -8.437 7.816 1.00 62.13 C ATOM 928 C SER A 56 5.295 -7.638 7.579 1.00 41.40 C ATOM 929 O SER A 56 5.443 -7.013 6.531 1.00 31.42 O ATOM 930 CB SER A 56 4.206 -9.903 7.371 1.00 3.22 C ATOM 931 OG SER A 56 5.318 -10.509 8.022 1.00 42.42 O ATOM 0 H SER A 56 2.615 -8.364 6.243 1.00 44.32 H new ATOM 0 HA SER A 56 3.774 -8.414 8.881 1.00 62.13 H new ATOM 0 HB2 SER A 56 3.303 -10.474 7.588 1.00 3.22 H new ATOM 0 HB3 SER A 56 4.354 -9.938 6.292 1.00 3.22 H new ATOM 0 HG SER A 56 5.411 -11.436 7.716 1.00 42.42 H new ATOM 937 N GLU A 57 6.221 -7.704 8.557 1.00 65.25 N ATOM 938 CA GLU A 57 7.560 -7.076 8.481 1.00 74.20 C ATOM 939 C GLU A 57 8.397 -7.711 7.347 1.00 74.31 C ATOM 940 O GLU A 57 9.295 -7.067 6.794 1.00 0.32 O ATOM 941 CB GLU A 57 8.287 -7.233 9.838 1.00 31.13 C ATOM 942 CG GLU A 57 7.542 -6.621 11.040 1.00 33.22 C ATOM 943 CD GLU A 57 8.214 -6.973 12.374 1.00 73.34 C ATOM 944 OE1 GLU A 57 7.903 -8.044 12.945 1.00 72.02 O ATOM 945 OE2 GLU A 57 9.084 -6.206 12.839 1.00 73.55 O ATOM 0 H GLU A 57 6.060 -8.200 9.433 1.00 65.25 H new ATOM 0 HA GLU A 57 7.439 -6.015 8.260 1.00 74.20 H new ATOM 0 HB2 GLU A 57 8.447 -8.294 10.029 1.00 31.13 H new ATOM 0 HB3 GLU A 57 9.271 -6.770 9.764 1.00 31.13 H new ATOM 0 HG2 GLU A 57 7.503 -5.537 10.929 1.00 33.22 H new ATOM 0 HG3 GLU A 57 6.512 -6.978 11.048 1.00 33.22 H new ATOM 952 N LYS A 58 8.059 -8.981 7.025 1.00 34.20 N ATOM 953 CA LYS A 58 8.647 -9.753 5.912 1.00 53.32 C ATOM 954 C LYS A 58 8.518 -8.977 4.584 1.00 71.22 C ATOM 955 O LYS A 58 9.492 -8.781 3.852 1.00 64.20 O ATOM 956 CB LYS A 58 7.913 -11.127 5.811 1.00 0.10 C ATOM 957 CG LYS A 58 8.457 -12.102 4.739 1.00 52.22 C ATOM 958 CD LYS A 58 7.554 -13.354 4.505 1.00 2.14 C ATOM 959 CE LYS A 58 7.413 -14.294 5.733 1.00 22.41 C ATOM 960 NZ LYS A 58 6.483 -13.773 6.782 1.00 75.53 N ATOM 0 H LYS A 58 7.355 -9.506 7.544 1.00 34.20 H new ATOM 0 HA LYS A 58 9.708 -9.915 6.103 1.00 53.32 H new ATOM 0 HB2 LYS A 58 7.966 -11.618 6.783 1.00 0.10 H new ATOM 0 HB3 LYS A 58 6.859 -10.941 5.605 1.00 0.10 H new ATOM 0 HG2 LYS A 58 8.568 -11.565 3.797 1.00 52.22 H new ATOM 0 HG3 LYS A 58 9.452 -12.434 5.036 1.00 52.22 H new ATOM 0 HD2 LYS A 58 6.561 -13.018 4.207 1.00 2.14 H new ATOM 0 HD3 LYS A 58 7.960 -13.927 3.671 1.00 2.14 H new ATOM 0 HE2 LYS A 58 7.058 -15.268 5.396 1.00 22.41 H new ATOM 0 HE3 LYS A 58 8.397 -14.449 6.176 1.00 22.41 H new ATOM 0 HZ1 LYS A 58 7.025 -13.526 7.635 1.00 75.53 H new ATOM 0 HZ2 LYS A 58 5.995 -12.927 6.424 1.00 75.53 H new ATOM 0 HZ3 LYS A 58 5.781 -14.503 7.018 1.00 75.53 H new ATOM 974 N LEU A 59 7.284 -8.534 4.313 1.00 74.54 N ATOM 975 CA LEU A 59 6.927 -7.808 3.090 1.00 32.41 C ATOM 976 C LEU A 59 7.082 -6.286 3.267 1.00 25.10 C ATOM 977 O LEU A 59 7.309 -5.573 2.295 1.00 35.45 O ATOM 978 CB LEU A 59 5.480 -8.195 2.689 1.00 52.41 C ATOM 979 CG LEU A 59 5.231 -9.733 2.472 1.00 41.11 C ATOM 980 CD1 LEU A 59 3.796 -10.012 1.970 1.00 35.51 C ATOM 981 CD2 LEU A 59 6.291 -10.346 1.527 1.00 34.22 C ATOM 0 H LEU A 59 6.496 -8.672 4.946 1.00 74.54 H new ATOM 0 HA LEU A 59 7.610 -8.091 2.289 1.00 32.41 H new ATOM 0 HB2 LEU A 59 4.799 -7.839 3.462 1.00 52.41 H new ATOM 0 HB3 LEU A 59 5.222 -7.669 1.770 1.00 52.41 H new ATOM 0 HG LEU A 59 5.334 -10.220 3.442 1.00 41.11 H new ATOM 0 HD11 LEU A 59 3.661 -11.085 1.832 1.00 35.51 H new ATOM 0 HD12 LEU A 59 3.077 -9.647 2.703 1.00 35.51 H new ATOM 0 HD13 LEU A 59 3.637 -9.501 1.021 1.00 35.51 H new ATOM 0 HD21 LEU A 59 6.091 -11.410 1.397 1.00 34.22 H new ATOM 0 HD22 LEU A 59 6.247 -9.848 0.559 1.00 34.22 H new ATOM 0 HD23 LEU A 59 7.283 -10.213 1.958 1.00 34.22 H new ATOM 993 N LEU A 60 6.960 -5.804 4.516 1.00 11.13 N ATOM 994 CA LEU A 60 7.070 -4.364 4.844 1.00 32.14 C ATOM 995 C LEU A 60 8.464 -3.858 4.494 1.00 14.12 C ATOM 996 O LEU A 60 8.619 -3.001 3.623 1.00 11.34 O ATOM 997 CB LEU A 60 6.729 -4.111 6.349 1.00 31.20 C ATOM 998 CG LEU A 60 6.560 -2.614 6.829 1.00 52.53 C ATOM 999 CD1 LEU A 60 5.665 -2.543 8.083 1.00 23.33 C ATOM 1000 CD2 LEU A 60 7.918 -1.918 7.111 1.00 3.21 C ATOM 0 H LEU A 60 6.783 -6.396 5.327 1.00 11.13 H new ATOM 0 HA LEU A 60 6.346 -3.807 4.249 1.00 32.14 H new ATOM 0 HB2 LEU A 60 5.804 -4.641 6.576 1.00 31.20 H new ATOM 0 HB3 LEU A 60 7.514 -4.568 6.951 1.00 31.20 H new ATOM 0 HG LEU A 60 6.083 -2.077 6.009 1.00 52.53 H new ATOM 0 HD11 LEU A 60 5.561 -1.505 8.398 1.00 23.33 H new ATOM 0 HD12 LEU A 60 4.682 -2.952 7.852 1.00 23.33 H new ATOM 0 HD13 LEU A 60 6.119 -3.122 8.887 1.00 23.33 H new ATOM 0 HD21 LEU A 60 7.741 -0.893 7.437 1.00 3.21 H new ATOM 0 HD22 LEU A 60 8.450 -2.461 7.893 1.00 3.21 H new ATOM 0 HD23 LEU A 60 8.519 -1.911 6.202 1.00 3.21 H new ATOM 1012 N GLN A 61 9.471 -4.426 5.175 1.00 1.12 N ATOM 1013 CA GLN A 61 10.870 -4.020 5.031 1.00 23.43 C ATOM 1014 C GLN A 61 11.415 -4.317 3.624 1.00 73.10 C ATOM 1015 O GLN A 61 12.280 -3.593 3.139 1.00 15.23 O ATOM 1016 CB GLN A 61 11.734 -4.715 6.115 1.00 41.41 C ATOM 1017 CG GLN A 61 11.464 -4.240 7.560 1.00 10.24 C ATOM 1018 CD GLN A 61 11.780 -2.752 7.791 1.00 4.11 C ATOM 1019 OE1 GLN A 61 12.659 -2.170 7.144 1.00 53.33 O ATOM 1020 NE2 GLN A 61 11.099 -2.135 8.741 1.00 64.41 N ATOM 0 H GLN A 61 9.333 -5.184 5.844 1.00 1.12 H new ATOM 0 HA GLN A 61 10.922 -2.940 5.169 1.00 23.43 H new ATOM 0 HB2 GLN A 61 11.562 -5.790 6.063 1.00 41.41 H new ATOM 0 HB3 GLN A 61 12.786 -4.549 5.883 1.00 41.41 H new ATOM 0 HG2 GLN A 61 10.417 -4.422 7.803 1.00 10.24 H new ATOM 0 HG3 GLN A 61 12.060 -4.840 8.248 1.00 10.24 H new ATOM 0 HE21 GLN A 61 10.379 -2.637 9.260 1.00 64.41 H new ATOM 0 HE22 GLN A 61 11.294 -1.157 8.955 1.00 64.41 H new ATOM 1029 N LYS A 62 10.902 -5.378 2.971 1.00 42.11 N ATOM 1030 CA LYS A 62 11.351 -5.742 1.619 1.00 62.00 C ATOM 1031 C LYS A 62 10.845 -4.726 0.584 1.00 71.33 C ATOM 1032 O LYS A 62 11.631 -4.200 -0.186 1.00 63.04 O ATOM 1033 CB LYS A 62 10.931 -7.182 1.242 1.00 14.33 C ATOM 1034 CG LYS A 62 11.456 -7.635 -0.149 1.00 71.14 C ATOM 1035 CD LYS A 62 11.458 -9.163 -0.329 1.00 44.01 C ATOM 1036 CE LYS A 62 10.065 -9.787 -0.224 1.00 31.44 C ATOM 1037 NZ LYS A 62 10.163 -11.264 -0.144 1.00 73.31 N ATOM 0 H LYS A 62 10.183 -5.991 3.356 1.00 42.11 H new ATOM 0 HA LYS A 62 12.441 -5.715 1.617 1.00 62.00 H new ATOM 0 HB2 LYS A 62 11.299 -7.871 2.003 1.00 14.33 H new ATOM 0 HB3 LYS A 62 9.843 -7.249 1.251 1.00 14.33 H new ATOM 0 HG2 LYS A 62 10.839 -7.185 -0.927 1.00 71.14 H new ATOM 0 HG3 LYS A 62 12.469 -7.258 -0.288 1.00 71.14 H new ATOM 0 HD2 LYS A 62 11.885 -9.407 -1.302 1.00 44.01 H new ATOM 0 HD3 LYS A 62 12.106 -9.610 0.425 1.00 44.01 H new ATOM 0 HE2 LYS A 62 9.553 -9.402 0.658 1.00 31.44 H new ATOM 0 HE3 LYS A 62 9.466 -9.503 -1.089 1.00 31.44 H new ATOM 0 HZ1 LYS A 62 9.854 -11.682 -1.045 1.00 73.31 H new ATOM 0 HZ2 LYS A 62 11.149 -11.537 0.044 1.00 73.31 H new ATOM 0 HZ3 LYS A 62 9.555 -11.611 0.625 1.00 73.31 H new ATOM 1051 N ILE A 63 9.534 -4.416 0.609 1.00 43.14 N ATOM 1052 CA ILE A 63 8.936 -3.411 -0.308 1.00 45.23 C ATOM 1053 C ILE A 63 9.547 -2.006 -0.028 1.00 72.33 C ATOM 1054 O ILE A 63 9.827 -1.245 -0.962 1.00 2.21 O ATOM 1055 CB ILE A 63 7.339 -3.417 -0.217 1.00 74.24 C ATOM 1056 CG1 ILE A 63 6.706 -4.567 -1.101 1.00 52.12 C ATOM 1057 CG2 ILE A 63 6.701 -2.048 -0.599 1.00 1.34 C ATOM 1058 CD1 ILE A 63 7.120 -5.996 -0.761 1.00 41.05 C ATOM 0 H ILE A 63 8.866 -4.843 1.251 1.00 43.14 H new ATOM 0 HA ILE A 63 9.181 -3.678 -1.336 1.00 45.23 H new ATOM 0 HB ILE A 63 7.109 -3.607 0.831 1.00 74.24 H new ATOM 0 HG12 ILE A 63 5.621 -4.499 -1.023 1.00 52.12 H new ATOM 0 HG13 ILE A 63 6.963 -4.377 -2.143 1.00 52.12 H new ATOM 0 HG21 ILE A 63 5.616 -2.117 -0.517 1.00 1.34 H new ATOM 0 HG22 ILE A 63 7.067 -1.275 0.076 1.00 1.34 H new ATOM 0 HG23 ILE A 63 6.972 -1.793 -1.623 1.00 1.34 H new ATOM 0 HD11 ILE A 63 6.620 -6.690 -1.436 1.00 41.05 H new ATOM 0 HD12 ILE A 63 8.200 -6.098 -0.871 1.00 41.05 H new ATOM 0 HD13 ILE A 63 6.837 -6.222 0.267 1.00 41.05 H new ATOM 1070 N LYS A 64 9.821 -1.730 1.266 1.00 71.33 N ATOM 1071 CA LYS A 64 10.417 -0.462 1.738 1.00 40.23 C ATOM 1072 C LYS A 64 11.807 -0.240 1.107 1.00 4.24 C ATOM 1073 O LYS A 64 12.080 0.820 0.535 1.00 33.44 O ATOM 1074 CB LYS A 64 10.494 -0.498 3.307 1.00 52.33 C ATOM 1075 CG LYS A 64 10.832 0.834 4.034 1.00 73.54 C ATOM 1076 CD LYS A 64 12.347 1.150 4.098 1.00 75.45 C ATOM 1077 CE LYS A 64 12.636 2.495 4.779 1.00 2.13 C ATOM 1078 NZ LYS A 64 14.090 2.809 4.795 1.00 23.41 N ATOM 0 H LYS A 64 9.632 -2.390 2.021 1.00 71.33 H new ATOM 0 HA LYS A 64 9.794 0.377 1.430 1.00 40.23 H new ATOM 0 HB2 LYS A 64 9.535 -0.854 3.684 1.00 52.33 H new ATOM 0 HB3 LYS A 64 11.243 -1.237 3.591 1.00 52.33 H new ATOM 0 HG2 LYS A 64 10.322 1.653 3.526 1.00 73.54 H new ATOM 0 HG3 LYS A 64 10.437 0.792 5.049 1.00 73.54 H new ATOM 0 HD2 LYS A 64 12.859 0.354 4.639 1.00 75.45 H new ATOM 0 HD3 LYS A 64 12.756 1.162 3.088 1.00 75.45 H new ATOM 0 HE2 LYS A 64 12.099 3.288 4.258 1.00 2.13 H new ATOM 0 HE3 LYS A 64 12.258 2.473 5.801 1.00 2.13 H new ATOM 0 HZ1 LYS A 64 14.242 3.725 5.263 1.00 23.41 H new ATOM 0 HZ2 LYS A 64 14.600 2.066 5.314 1.00 23.41 H new ATOM 0 HZ3 LYS A 64 14.446 2.856 3.819 1.00 23.41 H new ATOM 1092 N GLN A 65 12.670 -1.261 1.232 1.00 51.05 N ATOM 1093 CA GLN A 65 14.070 -1.194 0.781 1.00 54.03 C ATOM 1094 C GLN A 65 14.182 -1.341 -0.753 1.00 33.45 C ATOM 1095 O GLN A 65 14.792 -0.491 -1.411 1.00 4.14 O ATOM 1096 CB GLN A 65 14.925 -2.269 1.516 1.00 54.52 C ATOM 1097 CG GLN A 65 15.020 -2.080 3.056 1.00 55.43 C ATOM 1098 CD GLN A 65 15.901 -3.125 3.755 1.00 61.33 C ATOM 1099 OE1 GLN A 65 16.879 -3.619 3.192 1.00 1.42 O ATOM 1100 NE2 GLN A 65 15.543 -3.486 4.976 1.00 43.02 N ATOM 0 H GLN A 65 12.417 -2.157 1.649 1.00 51.05 H new ATOM 0 HA GLN A 65 14.461 -0.209 1.036 1.00 54.03 H new ATOM 0 HB2 GLN A 65 14.503 -3.253 1.309 1.00 54.52 H new ATOM 0 HB3 GLN A 65 15.932 -2.260 1.099 1.00 54.52 H new ATOM 0 HG2 GLN A 65 15.414 -1.086 3.267 1.00 55.43 H new ATOM 0 HG3 GLN A 65 14.017 -2.122 3.480 1.00 55.43 H new ATOM 0 HE21 GLN A 65 14.728 -3.059 5.416 1.00 43.02 H new ATOM 0 HE22 GLN A 65 16.082 -4.192 5.478 1.00 43.02 H new ATOM 1109 N GLU A 66 13.560 -2.398 -1.309 1.00 71.50 N ATOM 1110 CA GLU A 66 13.671 -2.738 -2.744 1.00 11.43 C ATOM 1111 C GLU A 66 13.082 -1.641 -3.658 1.00 51.22 C ATOM 1112 O GLU A 66 13.688 -1.295 -4.677 1.00 34.52 O ATOM 1113 CB GLU A 66 13.000 -4.110 -3.048 1.00 53.14 C ATOM 1114 CG GLU A 66 13.640 -5.322 -2.328 1.00 72.40 C ATOM 1115 CD GLU A 66 15.165 -5.423 -2.517 1.00 41.30 C ATOM 1116 OE1 GLU A 66 15.619 -5.720 -3.643 1.00 30.24 O ATOM 1117 OE2 GLU A 66 15.920 -5.213 -1.539 1.00 42.22 O ATOM 0 H GLU A 66 12.968 -3.039 -0.780 1.00 71.50 H new ATOM 0 HA GLU A 66 14.736 -2.809 -2.964 1.00 11.43 H new ATOM 0 HB2 GLU A 66 11.948 -4.054 -2.768 1.00 53.14 H new ATOM 0 HB3 GLU A 66 13.035 -4.285 -4.123 1.00 53.14 H new ATOM 0 HG2 GLU A 66 13.419 -5.258 -1.263 1.00 72.40 H new ATOM 0 HG3 GLU A 66 13.176 -6.237 -2.696 1.00 72.40 H new ATOM 1124 N ALA A 67 11.900 -1.102 -3.299 1.00 20.32 N ATOM 1125 CA ALA A 67 11.264 -0.019 -4.076 1.00 35.04 C ATOM 1126 C ALA A 67 11.847 1.359 -3.698 1.00 64.23 C ATOM 1127 O ALA A 67 11.836 2.281 -4.523 1.00 21.14 O ATOM 1128 CB ALA A 67 9.740 -0.056 -3.891 1.00 72.45 C ATOM 0 H ALA A 67 11.368 -1.397 -2.480 1.00 20.32 H new ATOM 0 HA ALA A 67 11.482 -0.179 -5.132 1.00 35.04 H new ATOM 0 HB1 ALA A 67 9.284 0.748 -4.469 1.00 72.45 H new ATOM 0 HB2 ALA A 67 9.355 -1.015 -4.236 1.00 72.45 H new ATOM 0 HB3 ALA A 67 9.498 0.074 -2.836 1.00 72.45 H new ATOM 1134 N ASN A 68 12.368 1.457 -2.454 1.00 30.42 N ATOM 1135 CA ASN A 68 12.959 2.689 -1.877 1.00 62.42 C ATOM 1136 C ASN A 68 11.951 3.857 -1.960 1.00 2.41 C ATOM 1137 O ASN A 68 12.169 4.876 -2.637 1.00 21.40 O ATOM 1138 CB ASN A 68 14.333 3.019 -2.528 1.00 62.42 C ATOM 1139 CG ASN A 68 15.130 4.108 -1.783 1.00 10.53 C ATOM 1140 OD1 ASN A 68 15.870 3.817 -0.840 1.00 3.24 O ATOM 1141 ND2 ASN A 68 14.988 5.363 -2.201 1.00 24.25 N ATOM 0 H ASN A 68 12.391 0.667 -1.809 1.00 30.42 H new ATOM 0 HA ASN A 68 13.165 2.520 -0.820 1.00 62.42 H new ATOM 0 HB2 ASN A 68 14.932 2.109 -2.571 1.00 62.42 H new ATOM 0 HB3 ASN A 68 14.169 3.342 -3.556 1.00 62.42 H new ATOM 0 HD21 ASN A 68 15.499 6.115 -1.739 1.00 24.25 H new ATOM 0 HD22 ASN A 68 14.369 5.573 -2.984 1.00 24.25 H new ATOM 1148 N VAL A 69 10.810 3.656 -1.285 1.00 34.05 N ATOM 1149 CA VAL A 69 9.669 4.597 -1.295 1.00 40.24 C ATOM 1150 C VAL A 69 9.241 4.921 0.142 1.00 72.25 C ATOM 1151 O VAL A 69 9.600 4.189 1.077 1.00 32.33 O ATOM 1152 CB VAL A 69 8.449 4.019 -2.112 1.00 21.30 C ATOM 1153 CG1 VAL A 69 8.776 3.934 -3.623 1.00 2.33 C ATOM 1154 CG2 VAL A 69 7.999 2.639 -1.557 1.00 53.33 C ATOM 0 H VAL A 69 10.647 2.829 -0.710 1.00 34.05 H new ATOM 0 HA VAL A 69 9.994 5.513 -1.788 1.00 40.24 H new ATOM 0 HB VAL A 69 7.615 4.711 -1.991 1.00 21.30 H new ATOM 0 HG11 VAL A 69 7.916 3.532 -4.159 1.00 2.33 H new ATOM 0 HG12 VAL A 69 9.007 4.930 -4.002 1.00 2.33 H new ATOM 0 HG13 VAL A 69 9.635 3.280 -3.773 1.00 2.33 H new ATOM 0 HG21 VAL A 69 7.157 2.269 -2.142 1.00 53.33 H new ATOM 0 HG22 VAL A 69 8.826 1.932 -1.624 1.00 53.33 H new ATOM 0 HG23 VAL A 69 7.698 2.747 -0.515 1.00 53.33 H new ATOM 1164 N GLN A 70 8.490 6.025 0.314 1.00 43.32 N ATOM 1165 CA GLN A 70 7.994 6.447 1.632 1.00 32.42 C ATOM 1166 C GLN A 70 6.849 5.520 2.070 1.00 42.45 C ATOM 1167 O GLN A 70 5.776 5.527 1.472 1.00 51.31 O ATOM 1168 CB GLN A 70 7.521 7.926 1.583 1.00 71.34 C ATOM 1169 CG GLN A 70 8.603 8.930 1.122 1.00 73.23 C ATOM 1170 CD GLN A 70 9.870 8.944 1.996 1.00 75.24 C ATOM 1171 OE1 GLN A 70 9.829 8.699 3.207 1.00 12.32 O ATOM 1172 NE2 GLN A 70 11.008 9.235 1.387 1.00 55.22 N ATOM 0 H GLN A 70 8.214 6.642 -0.450 1.00 43.32 H new ATOM 0 HA GLN A 70 8.801 6.377 2.361 1.00 32.42 H new ATOM 0 HB2 GLN A 70 6.666 7.999 0.911 1.00 71.34 H new ATOM 0 HB3 GLN A 70 7.173 8.216 2.574 1.00 71.34 H new ATOM 0 HG2 GLN A 70 8.886 8.695 0.096 1.00 73.23 H new ATOM 0 HG3 GLN A 70 8.172 9.931 1.112 1.00 73.23 H new ATOM 0 HE21 GLN A 70 11.015 9.433 0.386 1.00 55.22 H new ATOM 0 HE22 GLN A 70 11.878 9.261 1.918 1.00 55.22 H new ATOM 1181 N VAL A 71 7.098 4.725 3.114 1.00 15.42 N ATOM 1182 CA VAL A 71 6.157 3.707 3.601 1.00 43.34 C ATOM 1183 C VAL A 71 5.409 4.216 4.840 1.00 35.44 C ATOM 1184 O VAL A 71 6.030 4.674 5.807 1.00 71.34 O ATOM 1185 CB VAL A 71 6.925 2.367 3.910 1.00 34.01 C ATOM 1186 CG1 VAL A 71 6.068 1.381 4.737 1.00 43.03 C ATOM 1187 CG2 VAL A 71 7.413 1.723 2.585 1.00 52.12 C ATOM 0 H VAL A 71 7.964 4.768 3.651 1.00 15.42 H new ATOM 0 HA VAL A 71 5.418 3.506 2.825 1.00 43.34 H new ATOM 0 HB VAL A 71 7.793 2.608 4.524 1.00 34.01 H new ATOM 0 HG11 VAL A 71 6.639 0.472 4.925 1.00 43.03 H new ATOM 0 HG12 VAL A 71 5.797 1.843 5.687 1.00 43.03 H new ATOM 0 HG13 VAL A 71 5.163 1.132 4.183 1.00 43.03 H new ATOM 0 HG21 VAL A 71 7.944 0.797 2.805 1.00 52.12 H new ATOM 0 HG22 VAL A 71 6.555 1.508 1.948 1.00 52.12 H new ATOM 0 HG23 VAL A 71 8.083 2.412 2.071 1.00 52.12 H new ATOM 1197 N TYR A 72 4.068 4.137 4.791 1.00 12.34 N ATOM 1198 CA TYR A 72 3.189 4.492 5.909 1.00 3.15 C ATOM 1199 C TYR A 72 2.463 3.235 6.382 1.00 55.12 C ATOM 1200 O TYR A 72 1.514 2.783 5.736 1.00 4.44 O ATOM 1201 CB TYR A 72 2.170 5.572 5.459 1.00 41.24 C ATOM 1202 CG TYR A 72 2.815 6.909 5.071 1.00 21.44 C ATOM 1203 CD1 TYR A 72 3.333 7.122 3.788 1.00 24.40 C ATOM 1204 CD2 TYR A 72 2.897 7.959 5.988 1.00 31.51 C ATOM 1205 CE1 TYR A 72 3.915 8.325 3.448 1.00 4.20 C ATOM 1206 CE2 TYR A 72 3.478 9.160 5.645 1.00 54.41 C ATOM 1207 CZ TYR A 72 3.978 9.340 4.374 1.00 21.23 C ATOM 1208 OH TYR A 72 4.555 10.542 4.040 1.00 63.01 O ATOM 0 H TYR A 72 3.563 3.821 3.963 1.00 12.34 H new ATOM 0 HA TYR A 72 3.778 4.900 6.730 1.00 3.15 H new ATOM 0 HB2 TYR A 72 1.604 5.192 4.609 1.00 41.24 H new ATOM 0 HB3 TYR A 72 1.457 5.744 6.265 1.00 41.24 H new ATOM 0 HD1 TYR A 72 3.276 6.332 3.053 1.00 24.40 H new ATOM 0 HD2 TYR A 72 2.498 7.827 6.983 1.00 31.51 H new ATOM 0 HE1 TYR A 72 4.320 8.470 2.457 1.00 4.20 H new ATOM 0 HE2 TYR A 72 3.541 9.958 6.370 1.00 54.41 H new ATOM 0 HH TYR A 72 4.516 11.149 4.809 1.00 63.01 H new ATOM 1218 N ARG A 73 2.927 2.657 7.496 1.00 1.11 N ATOM 1219 CA ARG A 73 2.262 1.509 8.111 1.00 23.30 C ATOM 1220 C ARG A 73 1.047 2.016 8.895 1.00 12.34 C ATOM 1221 O ARG A 73 1.194 2.806 9.838 1.00 43.34 O ATOM 1222 CB ARG A 73 3.223 0.718 9.042 1.00 15.54 C ATOM 1223 CG ARG A 73 2.530 -0.438 9.807 1.00 41.45 C ATOM 1224 CD ARG A 73 3.448 -1.155 10.810 1.00 14.24 C ATOM 1225 NE ARG A 73 2.711 -2.176 11.575 1.00 34.13 N ATOM 1226 CZ ARG A 73 2.605 -3.475 11.251 1.00 72.15 C ATOM 1227 NH1 ARG A 73 3.193 -3.959 10.160 1.00 1.10 N ATOM 1228 NH2 ARG A 73 1.895 -4.283 12.021 1.00 53.10 N ATOM 0 H ARG A 73 3.764 2.969 7.989 1.00 1.11 H new ATOM 0 HA ARG A 73 1.944 0.820 7.328 1.00 23.30 H new ATOM 0 HB2 ARG A 73 4.040 0.311 8.446 1.00 15.54 H new ATOM 0 HB3 ARG A 73 3.666 1.406 9.762 1.00 15.54 H new ATOM 0 HG2 ARG A 73 1.665 -0.042 10.339 1.00 41.45 H new ATOM 0 HG3 ARG A 73 2.156 -1.165 9.087 1.00 41.45 H new ATOM 0 HD2 ARG A 73 4.276 -1.623 10.278 1.00 14.24 H new ATOM 0 HD3 ARG A 73 3.881 -0.426 11.495 1.00 14.24 H new ATOM 0 HE ARG A 73 2.240 -1.869 12.426 1.00 34.13 H new ATOM 0 HH11 ARG A 73 3.734 -3.341 9.555 1.00 1.10 H new ATOM 0 HH12 ARG A 73 3.103 -4.948 9.928 1.00 1.10 H new ATOM 0 HH21 ARG A 73 1.433 -3.918 12.854 1.00 53.10 H new ATOM 0 HH22 ARG A 73 1.810 -5.271 11.782 1.00 53.10 H new ATOM 1242 N VAL A 74 -0.153 1.609 8.462 1.00 63.41 N ATOM 1243 CA VAL A 74 -1.406 1.927 9.161 1.00 22.32 C ATOM 1244 C VAL A 74 -2.115 0.615 9.552 1.00 45.33 C ATOM 1245 O VAL A 74 -1.972 -0.407 8.873 1.00 25.24 O ATOM 1246 CB VAL A 74 -2.355 2.857 8.300 1.00 72.22 C ATOM 1247 CG1 VAL A 74 -1.585 4.071 7.710 1.00 4.14 C ATOM 1248 CG2 VAL A 74 -3.102 2.084 7.193 1.00 63.42 C ATOM 0 H VAL A 74 -0.283 1.051 7.618 1.00 63.41 H new ATOM 0 HA VAL A 74 -1.163 2.491 10.061 1.00 22.32 H new ATOM 0 HB VAL A 74 -3.112 3.238 8.986 1.00 72.22 H new ATOM 0 HG11 VAL A 74 -2.269 4.686 7.125 1.00 4.14 H new ATOM 0 HG12 VAL A 74 -1.166 4.665 8.522 1.00 4.14 H new ATOM 0 HG13 VAL A 74 -0.779 3.714 7.068 1.00 4.14 H new ATOM 0 HG21 VAL A 74 -3.738 2.771 6.635 1.00 63.42 H new ATOM 0 HG22 VAL A 74 -2.379 1.628 6.517 1.00 63.42 H new ATOM 0 HG23 VAL A 74 -3.718 1.306 7.645 1.00 63.42 H new ATOM 1258 N THR A 75 -2.828 0.641 10.679 1.00 0.21 N ATOM 1259 CA THR A 75 -3.694 -0.470 11.128 1.00 30.25 C ATOM 1260 C THR A 75 -5.099 0.058 11.504 1.00 12.14 C ATOM 1261 O THR A 75 -5.975 -0.721 11.902 1.00 21.55 O ATOM 1262 CB THR A 75 -3.046 -1.236 12.339 1.00 0.01 C ATOM 1263 OG1 THR A 75 -2.691 -0.303 13.373 1.00 53.33 O ATOM 1264 CG2 THR A 75 -1.787 -2.035 11.940 1.00 61.43 C ATOM 0 H THR A 75 -2.826 1.437 11.317 1.00 0.21 H new ATOM 0 HA THR A 75 -3.798 -1.174 10.303 1.00 30.25 H new ATOM 0 HB THR A 75 -3.793 -1.946 12.694 1.00 0.01 H new ATOM 0 HG1 THR A 75 -2.289 -0.786 14.125 1.00 53.33 H new ATOM 0 HG21 THR A 75 -1.385 -2.542 12.817 1.00 61.43 H new ATOM 0 HG22 THR A 75 -2.050 -2.774 11.183 1.00 61.43 H new ATOM 0 HG23 THR A 75 -1.036 -1.354 11.538 1.00 61.43 H new ATOM 1272 N SER A 76 -5.308 1.383 11.349 1.00 60.30 N ATOM 1273 CA SER A 76 -6.587 2.059 11.642 1.00 2.34 C ATOM 1274 C SER A 76 -6.963 3.033 10.504 1.00 61.52 C ATOM 1275 O SER A 76 -6.084 3.515 9.764 1.00 54.43 O ATOM 1276 CB SER A 76 -6.486 2.819 12.991 1.00 71.03 C ATOM 1277 OG SER A 76 -6.204 1.932 14.068 1.00 44.44 O ATOM 0 H SER A 76 -4.585 2.019 11.013 1.00 60.30 H new ATOM 0 HA SER A 76 -7.370 1.305 11.717 1.00 2.34 H new ATOM 0 HB2 SER A 76 -5.704 3.575 12.926 1.00 71.03 H new ATOM 0 HB3 SER A 76 -7.421 3.344 13.185 1.00 71.03 H new ATOM 0 HG SER A 76 -6.145 2.441 14.904 1.00 44.44 H new ATOM 1283 N ASN A 77 -8.283 3.320 10.394 1.00 33.43 N ATOM 1284 CA ASN A 77 -8.863 4.249 9.393 1.00 60.33 C ATOM 1285 C ASN A 77 -8.324 5.673 9.577 1.00 72.21 C ATOM 1286 O ASN A 77 -8.065 6.367 8.599 1.00 53.20 O ATOM 1287 CB ASN A 77 -10.418 4.252 9.501 1.00 42.33 C ATOM 1288 CG ASN A 77 -11.047 2.900 9.146 1.00 33.13 C ATOM 1289 OD1 ASN A 77 -10.563 2.183 8.265 1.00 41.01 O ATOM 1290 ND2 ASN A 77 -12.113 2.533 9.836 1.00 63.24 N ATOM 0 H ASN A 77 -8.985 2.906 11.007 1.00 33.43 H new ATOM 0 HA ASN A 77 -8.570 3.900 8.403 1.00 60.33 H new ATOM 0 HB2 ASN A 77 -10.705 4.524 10.517 1.00 42.33 H new ATOM 0 HB3 ASN A 77 -10.821 5.019 8.839 1.00 42.33 H new ATOM 0 HD21 ASN A 77 -12.559 1.635 9.647 1.00 63.24 H new ATOM 0 HD22 ASN A 77 -12.490 3.147 10.558 1.00 63.24 H new ATOM 1297 N ASP A 78 -8.140 6.070 10.850 1.00 1.32 N ATOM 1298 CA ASP A 78 -7.633 7.409 11.234 1.00 40.32 C ATOM 1299 C ASP A 78 -6.323 7.747 10.502 1.00 21.25 C ATOM 1300 O ASP A 78 -6.195 8.809 9.891 1.00 53.41 O ATOM 1301 CB ASP A 78 -7.388 7.486 12.767 1.00 11.04 C ATOM 1302 CG ASP A 78 -8.665 7.313 13.593 1.00 71.12 C ATOM 1303 OD1 ASP A 78 -9.139 6.164 13.725 1.00 3.13 O ATOM 1304 OD2 ASP A 78 -9.211 8.320 14.101 1.00 35.32 O ATOM 0 H ASP A 78 -8.339 5.469 11.650 1.00 1.32 H new ATOM 0 HA ASP A 78 -8.395 8.133 10.947 1.00 40.32 H new ATOM 0 HB2 ASP A 78 -6.672 6.716 13.053 1.00 11.04 H new ATOM 0 HB3 ASP A 78 -6.935 8.448 13.008 1.00 11.04 H new ATOM 1309 N GLU A 79 -5.388 6.792 10.560 1.00 43.12 N ATOM 1310 CA GLU A 79 -4.039 6.928 10.001 1.00 53.51 C ATOM 1311 C GLU A 79 -4.101 6.924 8.457 1.00 15.51 C ATOM 1312 O GLU A 79 -3.545 7.812 7.805 1.00 33.34 O ATOM 1313 CB GLU A 79 -3.169 5.755 10.517 1.00 22.20 C ATOM 1314 CG GLU A 79 -3.186 5.555 12.048 1.00 63.52 C ATOM 1315 CD GLU A 79 -2.463 4.270 12.468 1.00 11.11 C ATOM 1316 OE1 GLU A 79 -3.055 3.178 12.314 1.00 32.35 O ATOM 1317 OE2 GLU A 79 -1.295 4.333 12.915 1.00 41.31 O ATOM 0 H GLU A 79 -5.551 5.888 11.004 1.00 43.12 H new ATOM 0 HA GLU A 79 -3.597 7.873 10.317 1.00 53.51 H new ATOM 0 HB2 GLU A 79 -3.508 4.835 10.042 1.00 22.20 H new ATOM 0 HB3 GLU A 79 -2.139 5.918 10.198 1.00 22.20 H new ATOM 0 HG2 GLU A 79 -2.714 6.411 12.531 1.00 63.52 H new ATOM 0 HG3 GLU A 79 -4.218 5.521 12.398 1.00 63.52 H new ATOM 1324 N LEU A 80 -4.828 5.918 7.917 1.00 53.10 N ATOM 1325 CA LEU A 80 -5.012 5.680 6.468 1.00 22.52 C ATOM 1326 C LEU A 80 -5.483 6.959 5.756 1.00 54.24 C ATOM 1327 O LEU A 80 -4.836 7.429 4.810 1.00 32.02 O ATOM 1328 CB LEU A 80 -6.024 4.490 6.281 1.00 73.21 C ATOM 1329 CG LEU A 80 -6.461 4.048 4.819 1.00 44.51 C ATOM 1330 CD1 LEU A 80 -7.655 4.868 4.277 1.00 63.14 C ATOM 1331 CD2 LEU A 80 -5.277 4.062 3.819 1.00 70.12 C ATOM 0 H LEU A 80 -5.315 5.232 8.493 1.00 53.10 H new ATOM 0 HA LEU A 80 -4.061 5.408 6.010 1.00 22.52 H new ATOM 0 HB2 LEU A 80 -5.593 3.616 6.770 1.00 73.21 H new ATOM 0 HB3 LEU A 80 -6.931 4.746 6.828 1.00 73.21 H new ATOM 0 HG LEU A 80 -6.798 3.016 4.914 1.00 44.51 H new ATOM 0 HD11 LEU A 80 -7.909 4.522 3.275 1.00 63.14 H new ATOM 0 HD12 LEU A 80 -8.514 4.738 4.935 1.00 63.14 H new ATOM 0 HD13 LEU A 80 -7.384 5.923 4.239 1.00 63.14 H new ATOM 0 HD21 LEU A 80 -5.628 3.752 2.835 1.00 70.12 H new ATOM 0 HD22 LEU A 80 -4.865 5.069 3.757 1.00 70.12 H new ATOM 0 HD23 LEU A 80 -4.504 3.374 4.161 1.00 70.12 H new ATOM 1343 N GLU A 81 -6.585 7.526 6.263 1.00 21.41 N ATOM 1344 CA GLU A 81 -7.245 8.690 5.661 1.00 52.43 C ATOM 1345 C GLU A 81 -6.356 9.939 5.753 1.00 70.11 C ATOM 1346 O GLU A 81 -6.363 10.757 4.840 1.00 24.53 O ATOM 1347 CB GLU A 81 -8.625 8.920 6.326 1.00 54.15 C ATOM 1348 CG GLU A 81 -9.590 7.721 6.174 1.00 42.31 C ATOM 1349 CD GLU A 81 -10.988 7.966 6.753 1.00 33.55 C ATOM 1350 OE1 GLU A 81 -11.793 8.680 6.114 1.00 53.41 O ATOM 1351 OE2 GLU A 81 -11.302 7.426 7.831 1.00 4.31 O ATOM 0 H GLU A 81 -7.046 7.188 7.108 1.00 21.41 H new ATOM 0 HA GLU A 81 -7.407 8.492 4.602 1.00 52.43 H new ATOM 0 HB2 GLU A 81 -8.479 9.126 7.386 1.00 54.15 H new ATOM 0 HB3 GLU A 81 -9.087 9.806 5.890 1.00 54.15 H new ATOM 0 HG2 GLU A 81 -9.684 7.476 5.116 1.00 42.31 H new ATOM 0 HG3 GLU A 81 -9.152 6.852 6.665 1.00 42.31 H new ATOM 1358 N GLN A 82 -5.551 10.047 6.837 1.00 44.55 N ATOM 1359 CA GLN A 82 -4.597 11.163 7.004 1.00 70.33 C ATOM 1360 C GLN A 82 -3.499 11.128 5.933 1.00 50.03 C ATOM 1361 O GLN A 82 -3.081 12.178 5.446 1.00 63.32 O ATOM 1362 CB GLN A 82 -3.962 11.162 8.425 1.00 12.51 C ATOM 1363 CG GLN A 82 -4.884 11.688 9.544 1.00 53.11 C ATOM 1364 CD GLN A 82 -5.352 13.144 9.362 1.00 34.34 C ATOM 1365 OE1 GLN A 82 -6.466 13.499 9.746 1.00 43.00 O ATOM 1366 NE2 GLN A 82 -4.498 14.008 8.828 1.00 24.24 N ATOM 0 H GLN A 82 -5.545 9.376 7.605 1.00 44.55 H new ATOM 0 HA GLN A 82 -5.164 12.086 6.883 1.00 70.33 H new ATOM 0 HB2 GLN A 82 -3.658 10.145 8.672 1.00 12.51 H new ATOM 0 HB3 GLN A 82 -3.057 11.769 8.404 1.00 12.51 H new ATOM 0 HG2 GLN A 82 -5.761 11.044 9.606 1.00 53.11 H new ATOM 0 HG3 GLN A 82 -4.360 11.606 10.496 1.00 53.11 H new ATOM 0 HE21 GLN A 82 -3.580 13.691 8.517 1.00 24.24 H new ATOM 0 HE22 GLN A 82 -4.760 14.989 8.729 1.00 24.24 H new ATOM 1375 N VAL A 83 -3.042 9.916 5.568 1.00 72.55 N ATOM 1376 CA VAL A 83 -2.036 9.745 4.506 1.00 43.44 C ATOM 1377 C VAL A 83 -2.644 10.084 3.130 1.00 24.33 C ATOM 1378 O VAL A 83 -1.978 10.709 2.302 1.00 40.52 O ATOM 1379 CB VAL A 83 -1.429 8.294 4.470 1.00 61.40 C ATOM 1380 CG1 VAL A 83 -0.281 8.194 3.434 1.00 75.10 C ATOM 1381 CG2 VAL A 83 -0.957 7.840 5.871 1.00 45.33 C ATOM 0 H VAL A 83 -3.353 9.043 5.993 1.00 72.55 H new ATOM 0 HA VAL A 83 -1.223 10.434 4.734 1.00 43.44 H new ATOM 0 HB VAL A 83 -2.223 7.616 4.157 1.00 61.40 H new ATOM 0 HG11 VAL A 83 0.119 7.180 3.431 1.00 75.10 H new ATOM 0 HG12 VAL A 83 -0.664 8.436 2.442 1.00 75.10 H new ATOM 0 HG13 VAL A 83 0.510 8.896 3.699 1.00 75.10 H new ATOM 0 HG21 VAL A 83 -0.544 6.833 5.807 1.00 45.33 H new ATOM 0 HG22 VAL A 83 -0.191 8.524 6.236 1.00 45.33 H new ATOM 0 HG23 VAL A 83 -1.803 7.842 6.558 1.00 45.33 H new ATOM 1391 N VAL A 84 -3.921 9.694 2.906 1.00 15.21 N ATOM 1392 CA VAL A 84 -4.628 9.996 1.640 1.00 54.15 C ATOM 1393 C VAL A 84 -4.831 11.521 1.477 1.00 24.23 C ATOM 1394 O VAL A 84 -4.688 12.048 0.383 1.00 54.45 O ATOM 1395 CB VAL A 84 -6.017 9.261 1.520 1.00 21.21 C ATOM 1396 CG1 VAL A 84 -6.673 9.531 0.141 1.00 52.21 C ATOM 1397 CG2 VAL A 84 -5.880 7.742 1.775 1.00 2.34 C ATOM 0 H VAL A 84 -4.480 9.173 3.582 1.00 15.21 H new ATOM 0 HA VAL A 84 -3.991 9.621 0.839 1.00 54.15 H new ATOM 0 HB VAL A 84 -6.669 9.669 2.293 1.00 21.21 H new ATOM 0 HG11 VAL A 84 -7.630 9.012 0.085 1.00 52.21 H new ATOM 0 HG12 VAL A 84 -6.833 10.602 0.018 1.00 52.21 H new ATOM 0 HG13 VAL A 84 -6.017 9.169 -0.651 1.00 52.21 H new ATOM 0 HG21 VAL A 84 -6.857 7.268 1.684 1.00 2.34 H new ATOM 0 HG22 VAL A 84 -5.198 7.310 1.043 1.00 2.34 H new ATOM 0 HG23 VAL A 84 -5.488 7.575 2.778 1.00 2.34 H new ATOM 1407 N LYS A 85 -5.135 12.207 2.590 1.00 64.40 N ATOM 1408 CA LYS A 85 -5.316 13.680 2.623 1.00 50.24 C ATOM 1409 C LYS A 85 -3.971 14.412 2.411 1.00 14.53 C ATOM 1410 O LYS A 85 -3.927 15.511 1.837 1.00 53.53 O ATOM 1411 CB LYS A 85 -5.935 14.106 3.977 1.00 62.43 C ATOM 1412 CG LYS A 85 -7.388 13.635 4.212 1.00 33.32 C ATOM 1413 CD LYS A 85 -7.867 13.910 5.659 1.00 72.33 C ATOM 1414 CE LYS A 85 -7.847 15.404 6.025 1.00 43.31 C ATOM 1415 NZ LYS A 85 -8.717 16.216 5.132 1.00 12.24 N ATOM 0 H LYS A 85 -5.264 11.761 3.498 1.00 64.40 H new ATOM 0 HA LYS A 85 -5.989 13.957 1.811 1.00 50.24 H new ATOM 0 HB2 LYS A 85 -5.310 13.720 4.782 1.00 62.43 H new ATOM 0 HB3 LYS A 85 -5.907 15.193 4.045 1.00 62.43 H new ATOM 0 HG2 LYS A 85 -8.050 14.142 3.510 1.00 33.32 H new ATOM 0 HG3 LYS A 85 -7.460 12.567 4.004 1.00 33.32 H new ATOM 0 HD2 LYS A 85 -8.880 13.526 5.780 1.00 72.33 H new ATOM 0 HD3 LYS A 85 -7.233 13.362 6.356 1.00 72.33 H new ATOM 0 HE2 LYS A 85 -8.174 15.527 7.057 1.00 43.31 H new ATOM 0 HE3 LYS A 85 -6.824 15.776 5.968 1.00 43.31 H new ATOM 0 HZ1 LYS A 85 -8.738 17.200 5.468 1.00 12.24 H new ATOM 0 HZ2 LYS A 85 -8.341 16.189 4.163 1.00 12.24 H new ATOM 0 HZ3 LYS A 85 -9.682 15.827 5.140 1.00 12.24 H new ATOM 1429 N ASP A 86 -2.897 13.785 2.915 1.00 74.54 N ATOM 1430 CA ASP A 86 -1.517 14.290 2.830 1.00 51.31 C ATOM 1431 C ASP A 86 -1.010 14.276 1.368 1.00 74.30 C ATOM 1432 O ASP A 86 -0.551 15.303 0.851 1.00 2.03 O ATOM 1433 CB ASP A 86 -0.608 13.429 3.764 1.00 41.44 C ATOM 1434 CG ASP A 86 0.904 13.602 3.527 1.00 24.11 C ATOM 1435 OD1 ASP A 86 1.447 14.677 3.854 1.00 30.22 O ATOM 1436 OD2 ASP A 86 1.554 12.659 3.016 1.00 12.52 O ATOM 0 H ASP A 86 -2.965 12.893 3.404 1.00 74.54 H new ATOM 0 HA ASP A 86 -1.485 15.328 3.162 1.00 51.31 H new ATOM 0 HB2 ASP A 86 -0.831 13.683 4.800 1.00 41.44 H new ATOM 0 HB3 ASP A 86 -0.865 12.378 3.631 1.00 41.44 H new ATOM 1441 N VAL A 87 -1.126 13.109 0.716 1.00 51.33 N ATOM 1442 CA VAL A 87 -0.671 12.907 -0.675 1.00 3.14 C ATOM 1443 C VAL A 87 -1.645 13.566 -1.682 1.00 62.31 C ATOM 1444 O VAL A 87 -1.230 14.054 -2.741 1.00 31.41 O ATOM 1445 CB VAL A 87 -0.506 11.369 -0.993 1.00 75.22 C ATOM 1446 CG1 VAL A 87 -1.852 10.631 -0.911 1.00 64.14 C ATOM 1447 CG2 VAL A 87 0.182 11.120 -2.358 1.00 14.43 C ATOM 0 H VAL A 87 -1.538 12.276 1.136 1.00 51.33 H new ATOM 0 HA VAL A 87 0.302 13.388 -0.780 1.00 3.14 H new ATOM 0 HB VAL A 87 0.151 10.961 -0.225 1.00 75.22 H new ATOM 0 HG11 VAL A 87 -1.702 9.575 -1.135 1.00 64.14 H new ATOM 0 HG12 VAL A 87 -2.263 10.734 0.093 1.00 64.14 H new ATOM 0 HG13 VAL A 87 -2.547 11.060 -1.633 1.00 64.14 H new ATOM 0 HG21 VAL A 87 0.272 10.047 -2.530 1.00 14.43 H new ATOM 0 HG22 VAL A 87 -0.415 11.566 -3.153 1.00 14.43 H new ATOM 0 HG23 VAL A 87 1.174 11.571 -2.353 1.00 14.43 H new