USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 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 52 LYS NZ :NH3+ -123:sc= 1.1 (180deg=0) USER MOD Set 1.2: A 54 ASN : amide:sc= 1.14 K(o=2.2,f=-5.8!) USER MOD Set 2.1: A 23 SER OG : rot -102:sc= 0.79 USER MOD Set 2.2: A 26 SER OG : rot 63:sc= 0.673 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.2) USER MOD Single : A 12 LYS NZ :NH3+ -107:sc= -0.708 (180deg=-2.85!) USER MOD Single : A 13 GLN : amide:sc= -0.475 X(o=-0.48,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc=-0.00898 (180deg=-0.0876) USER MOD Single : A 22 GLN : amide:sc= -2.45! K(o=-2.4!,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc=-0.000274 (180deg=-0.0374) USER MOD Single : A 29 GLN : amide:sc= 0.116 X(o=0.12,f=-0.22) USER MOD Single : A 34 GLN : amide:sc= 0.371 X(o=0.37,f=-0.058) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.537) USER MOD Single : A 36 GLN : amide:sc= -0.0453 X(o=-0.045,f=-0.28) USER MOD Single : A 38 ASN : amide:sc= -1.67! K(o=-1.7!,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 103:sc= 0.0487 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 62 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.14) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 6 -14.221 -3.535 5.733 1.00 34.32 N ATOM 76 CA GLU A 6 -13.747 -4.590 4.828 1.00 65.44 C ATOM 77 C GLU A 6 -12.927 -3.975 3.685 1.00 3.43 C ATOM 78 O GLU A 6 -11.970 -4.582 3.205 1.00 52.11 O ATOM 79 CB GLU A 6 -14.961 -5.391 4.283 1.00 34.11 C ATOM 80 CG GLU A 6 -14.615 -6.623 3.424 1.00 74.40 C ATOM 81 CD GLU A 6 -13.707 -7.631 4.150 1.00 31.23 C ATOM 82 OE1 GLU A 6 -14.187 -8.318 5.079 1.00 40.24 O ATOM 83 OE2 GLU A 6 -12.515 -7.740 3.803 1.00 54.10 O ATOM 0 HA GLU A 6 -13.098 -5.276 5.373 1.00 65.44 H new ATOM 0 HB2 GLU A 6 -15.566 -5.718 5.128 1.00 34.11 H new ATOM 0 HB3 GLU A 6 -15.580 -4.719 3.689 1.00 34.11 H new ATOM 0 HG2 GLU A 6 -15.538 -7.122 3.128 1.00 74.40 H new ATOM 0 HG3 GLU A 6 -14.123 -6.294 2.509 1.00 74.40 H new ATOM 90 N GLU A 7 -13.316 -2.744 3.298 1.00 31.41 N ATOM 91 CA GLU A 7 -12.614 -1.946 2.287 1.00 63.02 C ATOM 92 C GLU A 7 -11.123 -1.761 2.634 1.00 24.24 C ATOM 93 O GLU A 7 -10.277 -1.976 1.781 1.00 31.51 O ATOM 94 CB GLU A 7 -13.298 -0.570 2.129 1.00 23.14 C ATOM 95 CG GLU A 7 -14.779 -0.635 1.704 1.00 74.24 C ATOM 96 CD GLU A 7 -14.994 -1.281 0.324 1.00 53.50 C ATOM 97 OE1 GLU A 7 -15.509 -2.422 0.246 1.00 13.02 O ATOM 98 OE2 GLU A 7 -14.636 -0.649 -0.693 1.00 53.25 O ATOM 0 H GLU A 7 -14.135 -2.276 3.686 1.00 31.41 H new ATOM 0 HA GLU A 7 -12.667 -2.489 1.343 1.00 63.02 H new ATOM 0 HB2 GLU A 7 -13.228 -0.033 3.075 1.00 23.14 H new ATOM 0 HB3 GLU A 7 -12.747 0.013 1.391 1.00 23.14 H new ATOM 0 HG2 GLU A 7 -15.339 -1.198 2.451 1.00 74.24 H new ATOM 0 HG3 GLU A 7 -15.190 0.375 1.692 1.00 74.24 H new ATOM 105 N LYS A 8 -10.822 -1.415 3.912 1.00 24.45 N ATOM 106 CA LYS A 8 -9.426 -1.171 4.378 1.00 65.11 C ATOM 107 C LYS A 8 -8.558 -2.440 4.244 1.00 44.22 C ATOM 108 O LYS A 8 -7.368 -2.359 3.919 1.00 61.31 O ATOM 109 CB LYS A 8 -9.359 -0.684 5.857 1.00 74.01 C ATOM 110 CG LYS A 8 -9.897 0.739 6.133 1.00 65.22 C ATOM 111 CD LYS A 8 -11.437 0.826 6.146 1.00 61.13 C ATOM 112 CE LYS A 8 -11.945 2.186 6.641 1.00 14.11 C ATOM 113 NZ LYS A 8 -13.428 2.222 6.711 1.00 14.12 N ATOM 0 H LYS A 8 -11.526 -1.298 4.641 1.00 24.45 H new ATOM 0 HA LYS A 8 -9.039 -0.382 3.734 1.00 65.11 H new ATOM 0 HB2 LYS A 8 -9.918 -1.387 6.475 1.00 74.01 H new ATOM 0 HB3 LYS A 8 -8.320 -0.727 6.185 1.00 74.01 H new ATOM 0 HG2 LYS A 8 -9.514 1.083 7.094 1.00 65.22 H new ATOM 0 HG3 LYS A 8 -9.510 1.418 5.374 1.00 65.22 H new ATOM 0 HD2 LYS A 8 -11.816 0.644 5.140 1.00 61.13 H new ATOM 0 HD3 LYS A 8 -11.837 0.038 6.785 1.00 61.13 H new ATOM 0 HE2 LYS A 8 -11.528 2.394 7.626 1.00 14.11 H new ATOM 0 HE3 LYS A 8 -11.592 2.972 5.973 1.00 14.11 H new ATOM 0 HZ1 LYS A 8 -13.737 3.156 7.049 1.00 14.12 H new ATOM 0 HZ2 LYS A 8 -13.825 2.048 5.765 1.00 14.12 H new ATOM 0 HZ3 LYS A 8 -13.762 1.488 7.367 1.00 14.12 H new ATOM 127 N ARG A 9 -9.186 -3.604 4.503 1.00 70.50 N ATOM 128 CA ARG A 9 -8.529 -4.923 4.411 1.00 64.41 C ATOM 129 C ARG A 9 -8.101 -5.192 2.957 1.00 64.32 C ATOM 130 O ARG A 9 -7.012 -5.716 2.700 1.00 54.22 O ATOM 131 CB ARG A 9 -9.487 -6.034 4.913 1.00 64.03 C ATOM 132 CG ARG A 9 -10.079 -5.771 6.315 1.00 30.41 C ATOM 133 CD ARG A 9 -11.008 -6.901 6.794 1.00 54.43 C ATOM 134 NE ARG A 9 -10.271 -8.132 7.157 1.00 15.42 N ATOM 135 CZ ARG A 9 -10.526 -9.366 6.689 1.00 74.44 C ATOM 136 NH1 ARG A 9 -11.507 -9.593 5.812 1.00 32.10 N ATOM 137 NH2 ARG A 9 -9.812 -10.390 7.130 1.00 12.44 N ATOM 0 H ARG A 9 -10.166 -3.656 4.783 1.00 70.50 H new ATOM 0 HA ARG A 9 -7.641 -4.925 5.043 1.00 64.41 H new ATOM 0 HB2 ARG A 9 -10.304 -6.143 4.200 1.00 64.03 H new ATOM 0 HB3 ARG A 9 -8.949 -6.982 4.930 1.00 64.03 H new ATOM 0 HG2 ARG A 9 -9.266 -5.648 7.030 1.00 30.41 H new ATOM 0 HG3 ARG A 9 -10.634 -4.833 6.299 1.00 30.41 H new ATOM 0 HD2 ARG A 9 -11.578 -6.556 7.657 1.00 54.43 H new ATOM 0 HD3 ARG A 9 -11.728 -7.132 6.008 1.00 54.43 H new ATOM 0 HE ARG A 9 -9.502 -8.036 7.820 1.00 15.42 H new ATOM 0 HH11 ARG A 9 -12.084 -8.820 5.481 1.00 32.10 H new ATOM 0 HH12 ARG A 9 -11.679 -10.539 5.473 1.00 32.10 H new ATOM 0 HH21 ARG A 9 -9.075 -10.239 7.819 1.00 12.44 H new ATOM 0 HH22 ARG A 9 -9.998 -11.330 6.780 1.00 12.44 H new ATOM 151 N GLN A 10 -8.981 -4.776 2.023 1.00 60.34 N ATOM 152 CA GLN A 10 -8.742 -4.861 0.573 1.00 33.35 C ATOM 153 C GLN A 10 -7.593 -3.925 0.150 1.00 32.30 C ATOM 154 O GLN A 10 -6.761 -4.308 -0.659 1.00 13.21 O ATOM 155 CB GLN A 10 -10.028 -4.479 -0.202 1.00 73.12 C ATOM 156 CG GLN A 10 -11.280 -5.293 0.176 1.00 40.23 C ATOM 157 CD GLN A 10 -12.568 -4.699 -0.398 1.00 1.20 C ATOM 158 OE1 GLN A 10 -12.573 -4.122 -1.481 1.00 25.22 O ATOM 159 NE2 GLN A 10 -13.665 -4.818 0.336 1.00 53.33 N ATOM 0 H GLN A 10 -9.885 -4.368 2.260 1.00 60.34 H new ATOM 0 HA GLN A 10 -8.464 -5.888 0.336 1.00 33.35 H new ATOM 0 HB2 GLN A 10 -10.235 -3.422 -0.034 1.00 73.12 H new ATOM 0 HB3 GLN A 10 -9.841 -4.602 -1.269 1.00 73.12 H new ATOM 0 HG2 GLN A 10 -11.165 -6.316 -0.183 1.00 40.23 H new ATOM 0 HG3 GLN A 10 -11.361 -5.344 1.262 1.00 40.23 H new ATOM 0 HE21 GLN A 10 -13.629 -5.304 1.232 1.00 53.33 H new ATOM 0 HE22 GLN A 10 -14.546 -4.424 0.005 1.00 53.33 H new ATOM 168 N VAL A 11 -7.566 -2.704 0.735 1.00 71.54 N ATOM 169 CA VAL A 11 -6.585 -1.650 0.381 1.00 40.20 C ATOM 170 C VAL A 11 -5.139 -2.099 0.649 1.00 2.25 C ATOM 171 O VAL A 11 -4.264 -1.893 -0.191 1.00 34.01 O ATOM 172 CB VAL A 11 -6.850 -0.307 1.162 1.00 40.45 C ATOM 173 CG1 VAL A 11 -5.827 0.783 0.790 1.00 11.41 C ATOM 174 CG2 VAL A 11 -8.267 0.208 0.911 1.00 2.35 C ATOM 0 H VAL A 11 -8.222 -2.422 1.464 1.00 71.54 H new ATOM 0 HA VAL A 11 -6.715 -1.473 -0.687 1.00 40.20 H new ATOM 0 HB VAL A 11 -6.738 -0.533 2.222 1.00 40.45 H new ATOM 0 HG11 VAL A 11 -6.045 1.693 1.350 1.00 11.41 H new ATOM 0 HG12 VAL A 11 -4.822 0.438 1.035 1.00 11.41 H new ATOM 0 HG13 VAL A 11 -5.889 0.991 -0.278 1.00 11.41 H new ATOM 0 HG21 VAL A 11 -8.420 1.135 1.463 1.00 2.35 H new ATOM 0 HG22 VAL A 11 -8.403 0.393 -0.154 1.00 2.35 H new ATOM 0 HG23 VAL A 11 -8.989 -0.537 1.245 1.00 2.35 H new ATOM 184 N LYS A 12 -4.916 -2.721 1.828 1.00 41.21 N ATOM 185 CA LYS A 12 -3.586 -3.222 2.238 1.00 22.41 C ATOM 186 C LYS A 12 -3.076 -4.286 1.249 1.00 13.05 C ATOM 187 O LYS A 12 -1.871 -4.383 0.996 1.00 43.34 O ATOM 188 CB LYS A 12 -3.647 -3.808 3.672 1.00 72.45 C ATOM 189 CG LYS A 12 -4.121 -2.808 4.750 1.00 22.24 C ATOM 190 CD LYS A 12 -4.151 -3.397 6.186 1.00 70.44 C ATOM 191 CE LYS A 12 -5.233 -4.477 6.412 1.00 42.35 C ATOM 192 NZ LYS A 12 -4.900 -5.786 5.778 1.00 13.33 N ATOM 0 H LYS A 12 -5.648 -2.889 2.518 1.00 41.21 H new ATOM 0 HA LYS A 12 -2.889 -2.384 2.232 1.00 22.41 H new ATOM 0 HB2 LYS A 12 -4.317 -4.668 3.672 1.00 72.45 H new ATOM 0 HB3 LYS A 12 -2.657 -4.175 3.944 1.00 72.45 H new ATOM 0 HG2 LYS A 12 -3.464 -1.938 4.738 1.00 22.24 H new ATOM 0 HG3 LYS A 12 -5.120 -2.457 4.491 1.00 22.24 H new ATOM 0 HD2 LYS A 12 -3.174 -3.826 6.410 1.00 70.44 H new ATOM 0 HD3 LYS A 12 -4.312 -2.585 6.895 1.00 70.44 H new ATOM 0 HE2 LYS A 12 -5.371 -4.624 7.483 1.00 42.35 H new ATOM 0 HE3 LYS A 12 -6.183 -4.119 6.014 1.00 42.35 H new ATOM 0 HZ1 LYS A 12 -5.502 -5.930 4.942 1.00 13.33 H new ATOM 0 HZ2 LYS A 12 -3.901 -5.788 5.489 1.00 13.33 H new ATOM 0 HZ3 LYS A 12 -5.064 -6.554 6.460 1.00 13.33 H new ATOM 206 N GLN A 13 -4.030 -5.053 0.683 1.00 70.33 N ATOM 207 CA GLN A 13 -3.740 -6.063 -0.338 1.00 34.23 C ATOM 208 C GLN A 13 -3.367 -5.384 -1.673 1.00 40.23 C ATOM 209 O GLN A 13 -2.292 -5.634 -2.197 1.00 22.25 O ATOM 210 CB GLN A 13 -4.949 -7.013 -0.510 1.00 33.10 C ATOM 211 CG GLN A 13 -4.767 -8.097 -1.590 1.00 41.11 C ATOM 212 CD GLN A 13 -5.932 -9.088 -1.681 1.00 51.11 C ATOM 213 OE1 GLN A 13 -5.740 -10.258 -2.013 1.00 42.20 O ATOM 214 NE2 GLN A 13 -7.150 -8.632 -1.413 1.00 13.14 N ATOM 0 H GLN A 13 -5.019 -4.985 0.925 1.00 70.33 H new ATOM 0 HA GLN A 13 -2.887 -6.659 -0.015 1.00 34.23 H new ATOM 0 HB2 GLN A 13 -5.150 -7.500 0.444 1.00 33.10 H new ATOM 0 HB3 GLN A 13 -5.829 -6.419 -0.756 1.00 33.10 H new ATOM 0 HG2 GLN A 13 -4.639 -7.613 -2.558 1.00 41.11 H new ATOM 0 HG3 GLN A 13 -3.849 -8.649 -1.386 1.00 41.11 H new ATOM 0 HE21 GLN A 13 -7.281 -7.658 -1.140 1.00 13.14 H new ATOM 0 HE22 GLN A 13 -7.954 -9.256 -1.480 1.00 13.14 H new ATOM 223 N VAL A 14 -4.241 -4.474 -2.171 1.00 1.20 N ATOM 224 CA VAL A 14 -4.018 -3.725 -3.440 1.00 53.45 C ATOM 225 C VAL A 14 -2.649 -3.004 -3.418 1.00 72.34 C ATOM 226 O VAL A 14 -1.935 -2.953 -4.424 1.00 5.44 O ATOM 227 CB VAL A 14 -5.172 -2.670 -3.699 1.00 40.24 C ATOM 228 CG1 VAL A 14 -4.937 -1.853 -4.995 1.00 31.44 C ATOM 229 CG2 VAL A 14 -6.558 -3.360 -3.739 1.00 4.30 C ATOM 0 H VAL A 14 -5.119 -4.237 -1.708 1.00 1.20 H new ATOM 0 HA VAL A 14 -4.026 -4.452 -4.252 1.00 53.45 H new ATOM 0 HB VAL A 14 -5.154 -1.971 -2.863 1.00 40.24 H new ATOM 0 HG11 VAL A 14 -5.753 -1.143 -5.131 1.00 31.44 H new ATOM 0 HG12 VAL A 14 -3.994 -1.311 -4.918 1.00 31.44 H new ATOM 0 HG13 VAL A 14 -4.898 -2.529 -5.849 1.00 31.44 H new ATOM 0 HG21 VAL A 14 -7.331 -2.613 -3.918 1.00 4.30 H new ATOM 0 HG22 VAL A 14 -6.574 -4.098 -4.541 1.00 4.30 H new ATOM 0 HG23 VAL A 14 -6.746 -3.855 -2.786 1.00 4.30 H new ATOM 239 N ALA A 15 -2.291 -2.515 -2.224 1.00 1.44 N ATOM 240 CA ALA A 15 -1.035 -1.816 -1.969 1.00 21.52 C ATOM 241 C ALA A 15 0.178 -2.762 -2.115 1.00 35.42 C ATOM 242 O ALA A 15 1.122 -2.465 -2.873 1.00 43.25 O ATOM 243 CB ALA A 15 -1.087 -1.184 -0.568 1.00 33.45 C ATOM 0 H ALA A 15 -2.880 -2.598 -1.396 1.00 1.44 H new ATOM 0 HA ALA A 15 -0.909 -1.029 -2.712 1.00 21.52 H new ATOM 0 HB1 ALA A 15 -0.152 -0.660 -0.370 1.00 33.45 H new ATOM 0 HB2 ALA A 15 -1.916 -0.478 -0.518 1.00 33.45 H new ATOM 0 HB3 ALA A 15 -1.230 -1.965 0.179 1.00 33.45 H new ATOM 249 N LYS A 16 0.113 -3.926 -1.429 1.00 21.13 N ATOM 250 CA LYS A 16 1.236 -4.880 -1.386 1.00 71.31 C ATOM 251 C LYS A 16 1.463 -5.557 -2.740 1.00 11.24 C ATOM 252 O LYS A 16 2.602 -5.844 -3.084 1.00 33.54 O ATOM 253 CB LYS A 16 1.048 -5.954 -0.281 1.00 63.52 C ATOM 254 CG LYS A 16 -0.062 -6.993 -0.534 1.00 53.41 C ATOM 255 CD LYS A 16 -0.007 -8.195 0.431 1.00 13.32 C ATOM 256 CE LYS A 16 1.232 -9.068 0.200 1.00 73.23 C ATOM 257 NZ LYS A 16 1.222 -10.274 1.069 1.00 44.52 N ATOM 0 H LYS A 16 -0.706 -4.224 -0.899 1.00 21.13 H new ATOM 0 HA LYS A 16 2.122 -4.293 -1.143 1.00 71.31 H new ATOM 0 HB2 LYS A 16 1.992 -6.484 -0.152 1.00 63.52 H new ATOM 0 HB3 LYS A 16 0.836 -5.446 0.660 1.00 63.52 H new ATOM 0 HG2 LYS A 16 -1.033 -6.506 -0.441 1.00 53.41 H new ATOM 0 HG3 LYS A 16 0.017 -7.355 -1.559 1.00 53.41 H new ATOM 0 HD2 LYS A 16 -0.008 -7.833 1.459 1.00 13.32 H new ATOM 0 HD3 LYS A 16 -0.904 -8.801 0.305 1.00 13.32 H new ATOM 0 HE2 LYS A 16 1.273 -9.373 -0.846 1.00 73.23 H new ATOM 0 HE3 LYS A 16 2.131 -8.484 0.397 1.00 73.23 H new ATOM 0 HZ1 LYS A 16 2.074 -10.841 0.886 1.00 44.52 H new ATOM 0 HZ2 LYS A 16 1.208 -9.983 2.067 1.00 44.52 H new ATOM 0 HZ3 LYS A 16 0.377 -10.844 0.863 1.00 44.52 H new ATOM 271 N GLU A 17 0.370 -5.784 -3.502 1.00 45.54 N ATOM 272 CA GLU A 17 0.437 -6.444 -4.818 1.00 1.25 C ATOM 273 C GLU A 17 1.288 -5.612 -5.782 1.00 10.53 C ATOM 274 O GLU A 17 2.134 -6.149 -6.500 1.00 42.20 O ATOM 275 CB GLU A 17 -0.975 -6.661 -5.428 1.00 13.50 C ATOM 276 CG GLU A 17 -1.928 -7.552 -4.601 1.00 72.45 C ATOM 277 CD GLU A 17 -1.337 -8.925 -4.240 1.00 53.50 C ATOM 278 OE1 GLU A 17 -1.397 -9.843 -5.081 1.00 2.14 O ATOM 279 OE2 GLU A 17 -0.822 -9.099 -3.115 1.00 0.23 O ATOM 0 H GLU A 17 -0.574 -5.516 -3.222 1.00 45.54 H new ATOM 0 HA GLU A 17 0.895 -7.422 -4.670 1.00 1.25 H new ATOM 0 HB2 GLU A 17 -1.445 -5.687 -5.567 1.00 13.50 H new ATOM 0 HB3 GLU A 17 -0.860 -7.103 -6.418 1.00 13.50 H new ATOM 0 HG2 GLU A 17 -2.194 -7.029 -3.683 1.00 72.45 H new ATOM 0 HG3 GLU A 17 -2.851 -7.700 -5.162 1.00 72.45 H new ATOM 286 N LYS A 18 1.074 -4.292 -5.750 1.00 15.04 N ATOM 287 CA LYS A 18 1.777 -3.346 -6.620 1.00 62.15 C ATOM 288 C LYS A 18 3.240 -3.151 -6.164 1.00 34.55 C ATOM 289 O LYS A 18 4.096 -2.737 -6.957 1.00 53.14 O ATOM 290 CB LYS A 18 0.999 -2.010 -6.669 1.00 43.45 C ATOM 291 CG LYS A 18 -0.478 -2.153 -7.118 1.00 32.02 C ATOM 292 CD LYS A 18 -0.652 -2.826 -8.501 1.00 31.50 C ATOM 293 CE LYS A 18 -0.064 -1.990 -9.648 1.00 15.23 C ATOM 294 NZ LYS A 18 -0.721 -0.661 -9.781 1.00 51.24 N ATOM 0 H LYS A 18 0.407 -3.850 -5.118 1.00 15.04 H new ATOM 0 HA LYS A 18 1.819 -3.752 -7.631 1.00 62.15 H new ATOM 0 HB2 LYS A 18 1.024 -1.551 -5.681 1.00 43.45 H new ATOM 0 HB3 LYS A 18 1.510 -1.329 -7.350 1.00 43.45 H new ATOM 0 HG2 LYS A 18 -1.019 -2.734 -6.372 1.00 32.02 H new ATOM 0 HG3 LYS A 18 -0.936 -1.164 -7.146 1.00 32.02 H new ATOM 0 HD2 LYS A 18 -0.171 -3.804 -8.487 1.00 31.50 H new ATOM 0 HD3 LYS A 18 -1.713 -2.995 -8.687 1.00 31.50 H new ATOM 0 HE2 LYS A 18 1.004 -1.848 -9.480 1.00 15.23 H new ATOM 0 HE3 LYS A 18 -0.169 -2.539 -10.584 1.00 15.23 H new ATOM 0 HZ1 LYS A 18 -0.398 -0.200 -10.656 1.00 51.24 H new ATOM 0 HZ2 LYS A 18 -1.753 -0.786 -9.816 1.00 51.24 H new ATOM 0 HZ3 LYS A 18 -0.472 -0.067 -8.964 1.00 51.24 H new ATOM 308 N LEU A 19 3.511 -3.446 -4.876 1.00 53.14 N ATOM 309 CA LEU A 19 4.888 -3.521 -4.343 1.00 3.13 C ATOM 310 C LEU A 19 5.608 -4.797 -4.815 1.00 42.50 C ATOM 311 O LEU A 19 6.812 -4.767 -5.081 1.00 31.34 O ATOM 312 CB LEU A 19 4.883 -3.449 -2.792 1.00 13.20 C ATOM 313 CG LEU A 19 4.469 -2.080 -2.192 1.00 2.21 C ATOM 314 CD1 LEU A 19 4.561 -2.093 -0.659 1.00 63.03 C ATOM 315 CD2 LEU A 19 5.316 -0.945 -2.788 1.00 65.34 C ATOM 0 H LEU A 19 2.789 -3.637 -4.181 1.00 53.14 H new ATOM 0 HA LEU A 19 5.436 -2.663 -4.732 1.00 3.13 H new ATOM 0 HB2 LEU A 19 4.205 -4.213 -2.412 1.00 13.20 H new ATOM 0 HB3 LEU A 19 5.880 -3.699 -2.430 1.00 13.20 H new ATOM 0 HG LEU A 19 3.427 -1.899 -2.457 1.00 2.21 H new ATOM 0 HD11 LEU A 19 4.265 -1.120 -0.268 1.00 63.03 H new ATOM 0 HD12 LEU A 19 3.898 -2.861 -0.261 1.00 63.03 H new ATOM 0 HD13 LEU A 19 5.586 -2.308 -0.358 1.00 63.03 H new ATOM 0 HD21 LEU A 19 5.008 0.006 -2.353 1.00 65.34 H new ATOM 0 HD22 LEU A 19 6.369 -1.122 -2.567 1.00 65.34 H new ATOM 0 HD23 LEU A 19 5.173 -0.913 -3.868 1.00 65.34 H new ATOM 327 N LEU A 20 4.848 -5.906 -4.919 1.00 63.45 N ATOM 328 CA LEU A 20 5.363 -7.211 -5.388 1.00 42.52 C ATOM 329 C LEU A 20 5.778 -7.134 -6.869 1.00 2.42 C ATOM 330 O LEU A 20 6.720 -7.810 -7.289 1.00 20.20 O ATOM 331 CB LEU A 20 4.289 -8.315 -5.174 1.00 33.43 C ATOM 332 CG LEU A 20 3.916 -8.617 -3.691 1.00 2.13 C ATOM 333 CD1 LEU A 20 2.671 -9.524 -3.581 1.00 12.13 C ATOM 334 CD2 LEU A 20 5.114 -9.216 -2.933 1.00 14.10 C ATOM 0 H LEU A 20 3.857 -5.923 -4.680 1.00 63.45 H new ATOM 0 HA LEU A 20 6.248 -7.467 -4.805 1.00 42.52 H new ATOM 0 HB2 LEU A 20 3.383 -8.022 -5.705 1.00 33.43 H new ATOM 0 HB3 LEU A 20 4.645 -9.236 -5.635 1.00 33.43 H new ATOM 0 HG LEU A 20 3.659 -7.668 -3.221 1.00 2.13 H new ATOM 0 HD11 LEU A 20 2.447 -9.709 -2.530 1.00 12.13 H new ATOM 0 HD12 LEU A 20 1.820 -9.032 -4.052 1.00 12.13 H new ATOM 0 HD13 LEU A 20 2.866 -10.472 -4.082 1.00 12.13 H new ATOM 0 HD21 LEU A 20 4.828 -9.418 -1.901 1.00 14.10 H new ATOM 0 HD22 LEU A 20 5.420 -10.146 -3.413 1.00 14.10 H new ATOM 0 HD23 LEU A 20 5.944 -8.510 -2.948 1.00 14.10 H new ATOM 346 N GLU A 21 5.059 -6.286 -7.635 1.00 71.33 N ATOM 347 CA GLU A 21 5.370 -5.986 -9.049 1.00 54.13 C ATOM 348 C GLU A 21 6.809 -5.440 -9.195 1.00 23.51 C ATOM 349 O GLU A 21 7.540 -5.810 -10.115 1.00 65.53 O ATOM 350 CB GLU A 21 4.359 -4.942 -9.600 1.00 71.32 C ATOM 351 CG GLU A 21 2.884 -5.395 -9.596 1.00 24.54 C ATOM 352 CD GLU A 21 2.605 -6.554 -10.567 1.00 34.30 C ATOM 353 OE1 GLU A 21 2.488 -7.718 -10.126 1.00 0.22 O ATOM 354 OE2 GLU A 21 2.496 -6.296 -11.781 1.00 60.40 O ATOM 0 H GLU A 21 4.240 -5.787 -7.287 1.00 71.33 H new ATOM 0 HA GLU A 21 5.291 -6.911 -9.620 1.00 54.13 H new ATOM 0 HB2 GLU A 21 4.444 -4.030 -9.010 1.00 71.32 H new ATOM 0 HB3 GLU A 21 4.642 -4.689 -10.622 1.00 71.32 H new ATOM 0 HG2 GLU A 21 2.607 -5.700 -8.587 1.00 24.54 H new ATOM 0 HG3 GLU A 21 2.250 -4.548 -9.859 1.00 24.54 H new ATOM 361 N GLN A 22 7.193 -4.566 -8.253 1.00 73.11 N ATOM 362 CA GLN A 22 8.501 -3.889 -8.257 1.00 10.32 C ATOM 363 C GLN A 22 9.597 -4.812 -7.692 1.00 52.03 C ATOM 364 O GLN A 22 10.630 -5.034 -8.336 1.00 73.20 O ATOM 365 CB GLN A 22 8.408 -2.580 -7.432 1.00 42.24 C ATOM 366 CG GLN A 22 7.365 -1.578 -7.962 1.00 64.42 C ATOM 367 CD GLN A 22 7.259 -0.328 -7.095 1.00 21.10 C ATOM 368 OE1 GLN A 22 7.948 0.669 -7.320 1.00 72.22 O ATOM 369 NE2 GLN A 22 6.417 -0.382 -6.080 1.00 12.03 N ATOM 0 H GLN A 22 6.603 -4.307 -7.462 1.00 73.11 H new ATOM 0 HA GLN A 22 8.770 -3.645 -9.285 1.00 10.32 H new ATOM 0 HB2 GLN A 22 8.165 -2.830 -6.399 1.00 42.24 H new ATOM 0 HB3 GLN A 22 9.386 -2.099 -7.421 1.00 42.24 H new ATOM 0 HG2 GLN A 22 7.629 -1.289 -8.979 1.00 64.42 H new ATOM 0 HG3 GLN A 22 6.391 -2.065 -8.011 1.00 64.42 H new ATOM 0 HE21 GLN A 22 5.862 -1.223 -5.922 1.00 12.03 H new ATOM 0 HE22 GLN A 22 6.322 0.417 -5.453 1.00 12.03 H new ATOM 378 N SER A 23 9.339 -5.372 -6.497 1.00 31.13 N ATOM 379 CA SER A 23 10.308 -6.207 -5.771 1.00 5.54 C ATOM 380 C SER A 23 9.630 -7.519 -5.306 1.00 43.02 C ATOM 381 O SER A 23 9.044 -7.578 -4.213 1.00 2.31 O ATOM 382 CB SER A 23 10.912 -5.421 -4.577 1.00 33.33 C ATOM 383 OG SER A 23 11.945 -6.161 -3.933 1.00 64.13 O ATOM 0 H SER A 23 8.451 -5.257 -6.008 1.00 31.13 H new ATOM 0 HA SER A 23 11.128 -6.470 -6.439 1.00 5.54 H new ATOM 0 HB2 SER A 23 11.311 -4.470 -4.931 1.00 33.33 H new ATOM 0 HB3 SER A 23 10.126 -5.190 -3.858 1.00 33.33 H new ATOM 0 HG SER A 23 11.596 -6.561 -3.109 1.00 64.13 H new ATOM 389 N PRO A 24 9.662 -8.591 -6.167 1.00 3.12 N ATOM 390 CA PRO A 24 9.158 -9.937 -5.800 1.00 14.52 C ATOM 391 C PRO A 24 10.173 -10.741 -4.948 1.00 54.11 C ATOM 392 O PRO A 24 9.885 -11.867 -4.527 1.00 21.21 O ATOM 393 CB PRO A 24 8.921 -10.593 -7.182 1.00 73.41 C ATOM 394 CG PRO A 24 9.958 -9.985 -8.079 1.00 2.22 C ATOM 395 CD PRO A 24 10.167 -8.565 -7.576 1.00 22.30 C ATOM 0 HA PRO A 24 8.266 -9.900 -5.174 1.00 14.52 H new ATOM 0 HB2 PRO A 24 9.030 -11.676 -7.129 1.00 73.41 H new ATOM 0 HB3 PRO A 24 7.914 -10.391 -7.548 1.00 73.41 H new ATOM 0 HG2 PRO A 24 10.888 -10.553 -8.042 1.00 2.22 H new ATOM 0 HG3 PRO A 24 9.625 -9.986 -9.117 1.00 2.22 H new ATOM 0 HD2 PRO A 24 11.218 -8.280 -7.616 1.00 22.30 H new ATOM 0 HD3 PRO A 24 9.618 -7.844 -8.182 1.00 22.30 H new ATOM 403 N ASN A 25 11.356 -10.142 -4.699 1.00 61.02 N ATOM 404 CA ASN A 25 12.455 -10.769 -3.930 1.00 15.04 C ATOM 405 C ASN A 25 12.301 -10.534 -2.415 1.00 4.14 C ATOM 406 O ASN A 25 13.177 -10.910 -1.629 1.00 75.31 O ATOM 407 CB ASN A 25 13.815 -10.207 -4.422 1.00 72.04 C ATOM 408 CG ASN A 25 14.047 -10.453 -5.911 1.00 44.05 C ATOM 409 OD1 ASN A 25 13.739 -9.608 -6.758 1.00 4.01 O ATOM 410 ND2 ASN A 25 14.553 -11.629 -6.248 1.00 35.24 N ATOM 0 H ASN A 25 11.579 -9.202 -5.028 1.00 61.02 H new ATOM 0 HA ASN A 25 12.416 -11.845 -4.098 1.00 15.04 H new ATOM 0 HB2 ASN A 25 13.855 -9.136 -4.224 1.00 72.04 H new ATOM 0 HB3 ASN A 25 14.622 -10.667 -3.851 1.00 72.04 H new ATOM 0 HD21 ASN A 25 14.699 -11.859 -7.231 1.00 35.24 H new ATOM 0 HD22 ASN A 25 14.797 -12.305 -5.525 1.00 35.24 H new ATOM 417 N SER A 26 11.170 -9.943 -2.016 1.00 20.15 N ATOM 418 CA SER A 26 10.936 -9.488 -0.644 1.00 30.23 C ATOM 419 C SER A 26 9.473 -9.703 -0.246 1.00 51.03 C ATOM 420 O SER A 26 8.570 -9.506 -1.072 1.00 13.21 O ATOM 421 CB SER A 26 11.304 -8.001 -0.559 1.00 64.23 C ATOM 422 OG SER A 26 10.674 -7.268 -1.595 1.00 65.22 O ATOM 0 H SER A 26 10.385 -9.766 -2.643 1.00 20.15 H new ATOM 0 HA SER A 26 11.553 -10.063 0.046 1.00 30.23 H new ATOM 0 HB2 SER A 26 11.004 -7.602 0.410 1.00 64.23 H new ATOM 0 HB3 SER A 26 12.385 -7.884 -0.630 1.00 64.23 H new ATOM 0 HG SER A 26 9.701 -7.320 -1.487 1.00 65.22 H new ATOM 428 N LYS A 27 9.248 -10.099 1.021 1.00 35.14 N ATOM 429 CA LYS A 27 7.895 -10.237 1.583 1.00 72.53 C ATOM 430 C LYS A 27 7.460 -8.873 2.135 1.00 33.31 C ATOM 431 O LYS A 27 8.255 -8.185 2.790 1.00 3.41 O ATOM 432 CB LYS A 27 7.854 -11.326 2.691 1.00 52.22 C ATOM 433 CG LYS A 27 6.444 -11.572 3.301 1.00 31.41 C ATOM 434 CD LYS A 27 6.433 -12.628 4.437 1.00 15.14 C ATOM 435 CE LYS A 27 6.903 -14.022 3.977 1.00 20.11 C ATOM 436 NZ LYS A 27 6.079 -14.557 2.860 1.00 64.00 N ATOM 0 H LYS A 27 9.994 -10.330 1.678 1.00 35.14 H new ATOM 0 HA LYS A 27 7.205 -10.556 0.801 1.00 72.53 H new ATOM 0 HB2 LYS A 27 8.225 -12.263 2.276 1.00 52.22 H new ATOM 0 HB3 LYS A 27 8.537 -11.039 3.491 1.00 52.22 H new ATOM 0 HG2 LYS A 27 6.056 -10.630 3.689 1.00 31.41 H new ATOM 0 HG3 LYS A 27 5.767 -11.895 2.510 1.00 31.41 H new ATOM 0 HD2 LYS A 27 7.075 -12.285 5.249 1.00 15.14 H new ATOM 0 HD3 LYS A 27 5.424 -12.707 4.840 1.00 15.14 H new ATOM 0 HE2 LYS A 27 7.945 -13.966 3.662 1.00 20.11 H new ATOM 0 HE3 LYS A 27 6.862 -14.713 4.819 1.00 20.11 H new ATOM 0 HZ1 LYS A 27 6.378 -15.529 2.642 1.00 64.00 H new ATOM 0 HZ2 LYS A 27 5.077 -14.557 3.137 1.00 64.00 H new ATOM 0 HZ3 LYS A 27 6.205 -13.959 2.018 1.00 64.00 H new ATOM 450 N VAL A 28 6.207 -8.491 1.866 1.00 14.31 N ATOM 451 CA VAL A 28 5.682 -7.168 2.212 1.00 73.45 C ATOM 452 C VAL A 28 4.875 -7.241 3.521 1.00 43.34 C ATOM 453 O VAL A 28 3.860 -7.942 3.602 1.00 51.04 O ATOM 454 CB VAL A 28 4.777 -6.599 1.060 1.00 32.41 C ATOM 455 CG1 VAL A 28 4.326 -5.161 1.382 1.00 11.50 C ATOM 456 CG2 VAL A 28 5.500 -6.665 -0.306 1.00 44.42 C ATOM 0 H VAL A 28 5.528 -9.093 1.401 1.00 14.31 H new ATOM 0 HA VAL A 28 6.529 -6.496 2.348 1.00 73.45 H new ATOM 0 HB VAL A 28 3.888 -7.225 0.990 1.00 32.41 H new ATOM 0 HG11 VAL A 28 3.701 -4.786 0.572 1.00 11.50 H new ATOM 0 HG12 VAL A 28 3.757 -5.158 2.311 1.00 11.50 H new ATOM 0 HG13 VAL A 28 5.201 -4.521 1.491 1.00 11.50 H new ATOM 0 HG21 VAL A 28 4.848 -6.264 -1.082 1.00 44.42 H new ATOM 0 HG22 VAL A 28 6.416 -6.076 -0.262 1.00 44.42 H new ATOM 0 HG23 VAL A 28 5.746 -7.701 -0.538 1.00 44.42 H new ATOM 466 N GLN A 29 5.360 -6.522 4.536 1.00 14.32 N ATOM 467 CA GLN A 29 4.705 -6.366 5.841 1.00 11.42 C ATOM 468 C GLN A 29 3.807 -5.114 5.810 1.00 53.14 C ATOM 469 O GLN A 29 4.116 -4.162 5.114 1.00 12.04 O ATOM 470 CB GLN A 29 5.811 -6.230 6.931 1.00 23.22 C ATOM 471 CG GLN A 29 5.312 -5.926 8.364 1.00 65.14 C ATOM 472 CD GLN A 29 4.359 -6.991 8.927 1.00 4.43 C ATOM 473 OE1 GLN A 29 4.472 -8.177 8.619 1.00 75.21 O ATOM 474 NE2 GLN A 29 3.412 -6.576 9.759 1.00 55.21 N ATOM 0 H GLN A 29 6.244 -6.017 4.473 1.00 14.32 H new ATOM 0 HA GLN A 29 4.081 -7.230 6.069 1.00 11.42 H new ATOM 0 HB2 GLN A 29 6.386 -7.156 6.956 1.00 23.22 H new ATOM 0 HB3 GLN A 29 6.496 -5.438 6.630 1.00 23.22 H new ATOM 0 HG2 GLN A 29 6.173 -5.835 9.027 1.00 65.14 H new ATOM 0 HG3 GLN A 29 4.805 -4.961 8.365 1.00 65.14 H new ATOM 0 HE21 GLN A 29 3.340 -5.587 9.998 1.00 55.21 H new ATOM 0 HE22 GLN A 29 2.756 -7.246 10.160 1.00 55.21 H new ATOM 483 N VAL A 30 2.685 -5.131 6.544 1.00 45.15 N ATOM 484 CA VAL A 30 1.861 -3.927 6.759 1.00 15.34 C ATOM 485 C VAL A 30 2.400 -3.186 7.993 1.00 61.54 C ATOM 486 O VAL A 30 2.470 -3.770 9.081 1.00 33.11 O ATOM 487 CB VAL A 30 0.341 -4.278 6.964 1.00 42.11 C ATOM 488 CG1 VAL A 30 -0.505 -3.002 7.210 1.00 23.34 C ATOM 489 CG2 VAL A 30 -0.206 -5.098 5.768 1.00 43.12 C ATOM 0 H VAL A 30 2.324 -5.968 7.002 1.00 45.15 H new ATOM 0 HA VAL A 30 1.925 -3.298 5.871 1.00 15.34 H new ATOM 0 HB VAL A 30 0.260 -4.899 7.856 1.00 42.11 H new ATOM 0 HG11 VAL A 30 -1.550 -3.279 7.348 1.00 23.34 H new ATOM 0 HG12 VAL A 30 -0.144 -2.493 8.104 1.00 23.34 H new ATOM 0 HG13 VAL A 30 -0.416 -2.336 6.352 1.00 23.34 H new ATOM 0 HG21 VAL A 30 -1.258 -5.327 5.935 1.00 43.12 H new ATOM 0 HG22 VAL A 30 -0.102 -4.518 4.851 1.00 43.12 H new ATOM 0 HG23 VAL A 30 0.357 -6.027 5.675 1.00 43.12 H new ATOM 499 N ARG A 31 2.808 -1.915 7.808 1.00 74.31 N ATOM 500 CA ARG A 31 3.385 -1.099 8.895 1.00 65.45 C ATOM 501 C ARG A 31 2.285 -0.237 9.559 1.00 4.01 C ATOM 502 O ARG A 31 2.026 -0.373 10.761 1.00 71.41 O ATOM 503 CB ARG A 31 4.550 -0.214 8.358 1.00 61.14 C ATOM 504 CG ARG A 31 5.340 0.534 9.460 1.00 14.12 C ATOM 505 CD ARG A 31 6.058 -0.431 10.427 1.00 74.23 C ATOM 506 NE ARG A 31 6.621 0.262 11.589 1.00 30.31 N ATOM 507 CZ ARG A 31 7.678 -0.148 12.302 1.00 44.02 C ATOM 508 NH1 ARG A 31 8.345 -1.262 11.984 1.00 71.23 N ATOM 509 NH2 ARG A 31 8.073 0.575 13.334 1.00 50.12 N ATOM 0 H ARG A 31 2.748 -1.430 6.913 1.00 74.31 H new ATOM 0 HA ARG A 31 3.797 -1.765 9.653 1.00 65.45 H new ATOM 0 HB2 ARG A 31 5.240 -0.843 7.796 1.00 61.14 H new ATOM 0 HB3 ARG A 31 4.144 0.517 7.659 1.00 61.14 H new ATOM 0 HG2 ARG A 31 6.075 1.191 8.994 1.00 14.12 H new ATOM 0 HG3 ARG A 31 4.658 1.169 10.025 1.00 14.12 H new ATOM 0 HD2 ARG A 31 5.355 -1.192 10.766 1.00 74.23 H new ATOM 0 HD3 ARG A 31 6.855 -0.949 9.894 1.00 74.23 H new ATOM 0 HE ARG A 31 6.170 1.130 11.879 1.00 30.31 H new ATOM 0 HH11 ARG A 31 8.052 -1.821 11.183 1.00 71.23 H new ATOM 0 HH12 ARG A 31 9.147 -1.553 12.543 1.00 71.23 H new ATOM 0 HH21 ARG A 31 7.575 1.431 13.577 1.00 50.12 H new ATOM 0 HH22 ARG A 31 8.876 0.277 13.888 1.00 50.12 H new ATOM 523 N ARG A 32 1.634 0.633 8.754 1.00 70.25 N ATOM 524 CA ARG A 32 0.554 1.550 9.209 1.00 54.23 C ATOM 525 C ARG A 32 -0.451 1.789 8.073 1.00 44.34 C ATOM 526 O ARG A 32 -0.174 1.480 6.914 1.00 62.33 O ATOM 527 CB ARG A 32 1.133 2.916 9.693 1.00 10.21 C ATOM 528 CG ARG A 32 1.864 2.862 11.050 1.00 1.54 C ATOM 529 CD ARG A 32 2.493 4.203 11.456 1.00 73.43 C ATOM 530 NE ARG A 32 3.130 4.129 12.782 1.00 42.11 N ATOM 531 CZ ARG A 32 2.933 4.997 13.784 1.00 72.15 C ATOM 532 NH1 ARG A 32 2.119 6.041 13.632 1.00 22.53 N ATOM 533 NH2 ARG A 32 3.551 4.817 14.942 1.00 11.14 N ATOM 0 H ARG A 32 1.843 0.722 7.760 1.00 70.25 H new ATOM 0 HA ARG A 32 0.048 1.076 10.050 1.00 54.23 H new ATOM 0 HB2 ARG A 32 1.824 3.290 8.938 1.00 10.21 H new ATOM 0 HB3 ARG A 32 0.318 3.636 9.763 1.00 10.21 H new ATOM 0 HG2 ARG A 32 1.160 2.551 11.822 1.00 1.54 H new ATOM 0 HG3 ARG A 32 2.644 2.102 11.005 1.00 1.54 H new ATOM 0 HD2 ARG A 32 3.234 4.497 10.713 1.00 73.43 H new ATOM 0 HD3 ARG A 32 1.725 4.977 11.464 1.00 73.43 H new ATOM 0 HE ARG A 32 3.773 3.355 12.951 1.00 42.11 H new ATOM 0 HH11 ARG A 32 1.637 6.187 12.745 1.00 22.53 H new ATOM 0 HH12 ARG A 32 1.978 6.694 14.403 1.00 22.53 H new ATOM 0 HH21 ARG A 32 4.174 4.020 15.069 1.00 11.14 H new ATOM 0 HH22 ARG A 32 3.403 5.476 15.707 1.00 11.14 H new ATOM 547 N VAL A 33 -1.628 2.341 8.437 1.00 61.15 N ATOM 548 CA VAL A 33 -2.722 2.676 7.494 1.00 3.10 C ATOM 549 C VAL A 33 -3.302 4.065 7.862 1.00 35.34 C ATOM 550 O VAL A 33 -3.583 4.326 9.038 1.00 1.23 O ATOM 551 CB VAL A 33 -3.879 1.594 7.530 1.00 14.15 C ATOM 552 CG1 VAL A 33 -5.025 1.960 6.564 1.00 73.24 C ATOM 553 CG2 VAL A 33 -3.348 0.171 7.227 1.00 65.32 C ATOM 0 H VAL A 33 -1.850 2.570 9.406 1.00 61.15 H new ATOM 0 HA VAL A 33 -2.309 2.690 6.485 1.00 3.10 H new ATOM 0 HB VAL A 33 -4.276 1.592 8.545 1.00 14.15 H new ATOM 0 HG11 VAL A 33 -5.801 1.196 6.614 1.00 73.24 H new ATOM 0 HG12 VAL A 33 -5.446 2.925 6.848 1.00 73.24 H new ATOM 0 HG13 VAL A 33 -4.639 2.018 5.546 1.00 73.24 H new ATOM 0 HG21 VAL A 33 -4.173 -0.540 7.262 1.00 65.32 H new ATOM 0 HG22 VAL A 33 -2.896 0.155 6.235 1.00 65.32 H new ATOM 0 HG23 VAL A 33 -2.600 -0.104 7.971 1.00 65.32 H new ATOM 563 N GLN A 34 -3.482 4.944 6.856 1.00 73.50 N ATOM 564 CA GLN A 34 -3.969 6.332 7.036 1.00 44.40 C ATOM 565 C GLN A 34 -5.192 6.547 6.138 1.00 5.10 C ATOM 566 O GLN A 34 -5.058 6.629 4.918 1.00 21.42 O ATOM 567 CB GLN A 34 -2.860 7.365 6.666 1.00 65.31 C ATOM 568 CG GLN A 34 -1.495 7.107 7.328 1.00 73.40 C ATOM 569 CD GLN A 34 -1.533 7.039 8.864 1.00 2.02 C ATOM 570 OE1 GLN A 34 -2.303 7.740 9.522 1.00 63.12 O ATOM 571 NE2 GLN A 34 -0.716 6.165 9.439 1.00 13.40 N ATOM 0 H GLN A 34 -3.292 4.710 5.882 1.00 73.50 H new ATOM 0 HA GLN A 34 -4.236 6.481 8.082 1.00 44.40 H new ATOM 0 HB2 GLN A 34 -2.729 7.366 5.584 1.00 65.31 H new ATOM 0 HB3 GLN A 34 -3.202 8.361 6.946 1.00 65.31 H new ATOM 0 HG2 GLN A 34 -1.091 6.170 6.945 1.00 73.40 H new ATOM 0 HG3 GLN A 34 -0.805 7.896 7.029 1.00 73.40 H new ATOM 0 HE21 GLN A 34 -0.090 5.599 8.866 1.00 13.40 H new ATOM 0 HE22 GLN A 34 -0.714 6.059 10.454 1.00 13.40 H new ATOM 580 N LYS A 35 -6.377 6.644 6.738 1.00 5.01 N ATOM 581 CA LYS A 35 -7.644 6.779 6.004 1.00 40.41 C ATOM 582 C LYS A 35 -7.957 8.287 5.862 1.00 2.25 C ATOM 583 O LYS A 35 -8.298 8.946 6.843 1.00 10.53 O ATOM 584 CB LYS A 35 -8.754 5.995 6.781 1.00 70.20 C ATOM 585 CG LYS A 35 -10.058 5.658 6.000 1.00 41.31 C ATOM 586 CD LYS A 35 -10.964 6.880 5.723 1.00 63.51 C ATOM 587 CE LYS A 35 -12.305 6.500 5.093 1.00 20.30 C ATOM 588 NZ LYS A 35 -13.176 7.690 4.914 1.00 53.33 N ATOM 0 H LYS A 35 -6.491 6.632 7.752 1.00 5.01 H new ATOM 0 HA LYS A 35 -7.589 6.355 5.001 1.00 40.41 H new ATOM 0 HB2 LYS A 35 -8.322 5.060 7.138 1.00 70.20 H new ATOM 0 HB3 LYS A 35 -9.027 6.577 7.661 1.00 70.20 H new ATOM 0 HG2 LYS A 35 -9.790 5.196 5.050 1.00 41.31 H new ATOM 0 HG3 LYS A 35 -10.626 4.919 6.565 1.00 41.31 H new ATOM 0 HD2 LYS A 35 -11.145 7.410 6.658 1.00 63.51 H new ATOM 0 HD3 LYS A 35 -10.441 7.571 5.061 1.00 63.51 H new ATOM 0 HE2 LYS A 35 -12.133 6.024 4.127 1.00 20.30 H new ATOM 0 HE3 LYS A 35 -12.811 5.769 5.723 1.00 20.30 H new ATOM 0 HZ1 LYS A 35 -14.160 7.383 4.780 1.00 53.33 H new ATOM 0 HZ2 LYS A 35 -13.114 8.295 5.757 1.00 53.33 H new ATOM 0 HZ3 LYS A 35 -12.864 8.226 4.079 1.00 53.33 H new ATOM 602 N GLN A 36 -7.795 8.825 4.641 1.00 55.10 N ATOM 603 CA GLN A 36 -8.048 10.252 4.338 1.00 21.42 C ATOM 604 C GLN A 36 -9.135 10.370 3.254 1.00 30.42 C ATOM 605 O GLN A 36 -8.835 10.373 2.054 1.00 63.43 O ATOM 606 CB GLN A 36 -6.728 10.958 3.899 1.00 73.33 C ATOM 607 CG GLN A 36 -5.621 10.960 4.981 1.00 5.04 C ATOM 608 CD GLN A 36 -6.017 11.720 6.256 1.00 23.43 C ATOM 609 OE1 GLN A 36 -6.753 12.705 6.214 1.00 15.01 O ATOM 610 NE2 GLN A 36 -5.543 11.263 7.400 1.00 1.01 N ATOM 0 H GLN A 36 -7.485 8.286 3.833 1.00 55.10 H new ATOM 0 HA GLN A 36 -8.406 10.753 5.237 1.00 21.42 H new ATOM 0 HB2 GLN A 36 -6.346 10.466 3.005 1.00 73.33 H new ATOM 0 HB3 GLN A 36 -6.954 11.988 3.624 1.00 73.33 H new ATOM 0 HG2 GLN A 36 -5.376 9.930 5.242 1.00 5.04 H new ATOM 0 HG3 GLN A 36 -4.718 11.407 4.566 1.00 5.04 H new ATOM 0 HE21 GLN A 36 -4.934 10.444 7.409 1.00 1.01 H new ATOM 0 HE22 GLN A 36 -5.785 11.728 8.275 1.00 1.01 H new ATOM 619 N GLY A 37 -10.406 10.425 3.706 1.00 0.03 N ATOM 620 CA GLY A 37 -11.564 10.535 2.814 1.00 53.31 C ATOM 621 C GLY A 37 -11.761 9.286 1.954 1.00 72.33 C ATOM 622 O GLY A 37 -12.311 8.285 2.410 1.00 13.42 O ATOM 0 H GLY A 37 -10.650 10.394 4.696 1.00 0.03 H new ATOM 0 HA2 GLY A 37 -12.461 10.708 3.408 1.00 53.31 H new ATOM 0 HA3 GLY A 37 -11.438 11.402 2.166 1.00 53.31 H new ATOM 626 N ASN A 38 -11.287 9.352 0.705 1.00 51.53 N ATOM 627 CA ASN A 38 -11.292 8.209 -0.239 1.00 70.12 C ATOM 628 C ASN A 38 -9.873 7.642 -0.399 1.00 44.32 C ATOM 629 O ASN A 38 -9.710 6.468 -0.721 1.00 70.12 O ATOM 630 CB ASN A 38 -11.859 8.643 -1.620 1.00 4.43 C ATOM 631 CG ASN A 38 -13.335 9.049 -1.550 1.00 61.51 C ATOM 632 OD1 ASN A 38 -13.670 10.202 -1.283 1.00 31.45 O ATOM 633 ND2 ASN A 38 -14.234 8.102 -1.779 1.00 22.30 N ATOM 0 H ASN A 38 -10.885 10.202 0.310 1.00 51.53 H new ATOM 0 HA ASN A 38 -11.936 7.429 0.168 1.00 70.12 H new ATOM 0 HB2 ASN A 38 -11.274 9.479 -2.002 1.00 4.43 H new ATOM 0 HB3 ASN A 38 -11.745 7.823 -2.329 1.00 4.43 H new ATOM 0 HD21 ASN A 38 -15.229 8.322 -1.736 1.00 22.30 H new ATOM 0 HD22 ASN A 38 -13.931 7.153 -1.999 1.00 22.30 H new ATOM 640 N THR A 39 -8.854 8.495 -0.173 1.00 0.15 N ATOM 641 CA THR A 39 -7.440 8.125 -0.326 1.00 60.51 C ATOM 642 C THR A 39 -6.896 7.523 0.983 1.00 74.31 C ATOM 643 O THR A 39 -6.574 8.247 1.929 1.00 73.33 O ATOM 644 CB THR A 39 -6.568 9.358 -0.737 1.00 34.23 C ATOM 645 OG1 THR A 39 -7.152 10.017 -1.876 1.00 23.20 O ATOM 646 CG2 THR A 39 -5.112 8.956 -1.066 1.00 54.02 C ATOM 0 H THR A 39 -8.993 9.462 0.121 1.00 0.15 H new ATOM 0 HA THR A 39 -7.381 7.380 -1.120 1.00 60.51 H new ATOM 0 HB THR A 39 -6.544 10.037 0.116 1.00 34.23 H new ATOM 0 HG1 THR A 39 -6.601 10.788 -2.126 1.00 23.20 H new ATOM 0 HG21 THR A 39 -4.544 9.843 -1.346 1.00 54.02 H new ATOM 0 HG22 THR A 39 -4.655 8.494 -0.191 1.00 54.02 H new ATOM 0 HG23 THR A 39 -5.109 8.247 -1.894 1.00 54.02 H new ATOM 654 N ILE A 40 -6.849 6.192 1.041 1.00 43.22 N ATOM 655 CA ILE A 40 -6.199 5.469 2.134 1.00 4.20 C ATOM 656 C ILE A 40 -4.709 5.218 1.787 1.00 64.35 C ATOM 657 O ILE A 40 -4.388 4.418 0.900 1.00 71.11 O ATOM 658 CB ILE A 40 -6.936 4.116 2.444 1.00 72.35 C ATOM 659 CG1 ILE A 40 -8.433 4.380 2.814 1.00 55.03 C ATOM 660 CG2 ILE A 40 -6.211 3.339 3.566 1.00 33.03 C ATOM 661 CD1 ILE A 40 -9.223 3.151 3.241 1.00 11.21 C ATOM 0 H ILE A 40 -7.260 5.585 0.332 1.00 43.22 H new ATOM 0 HA ILE A 40 -6.255 6.083 3.033 1.00 4.20 H new ATOM 0 HB ILE A 40 -6.914 3.498 1.546 1.00 72.35 H new ATOM 0 HG12 ILE A 40 -8.467 5.112 3.621 1.00 55.03 H new ATOM 0 HG13 ILE A 40 -8.929 4.830 1.954 1.00 55.03 H new ATOM 0 HG21 ILE A 40 -6.740 2.406 3.763 1.00 33.03 H new ATOM 0 HG22 ILE A 40 -5.190 3.119 3.255 1.00 33.03 H new ATOM 0 HG23 ILE A 40 -6.191 3.943 4.473 1.00 33.03 H new ATOM 0 HD11 ILE A 40 -10.247 3.440 3.476 1.00 11.21 H new ATOM 0 HD12 ILE A 40 -9.229 2.422 2.430 1.00 11.21 H new ATOM 0 HD13 ILE A 40 -8.760 2.709 4.123 1.00 11.21 H new ATOM 673 N ARG A 41 -3.821 5.944 2.486 1.00 5.23 N ATOM 674 CA ARG A 41 -2.364 5.780 2.400 1.00 44.31 C ATOM 675 C ARG A 41 -1.924 4.649 3.333 1.00 24.41 C ATOM 676 O ARG A 41 -1.937 4.816 4.545 1.00 65.04 O ATOM 677 CB ARG A 41 -1.647 7.091 2.819 1.00 25.11 C ATOM 678 CG ARG A 41 -1.840 8.282 1.866 1.00 40.11 C ATOM 679 CD ARG A 41 -1.040 9.517 2.328 1.00 43.11 C ATOM 680 NE ARG A 41 -0.886 10.520 1.262 1.00 43.14 N ATOM 681 CZ ARG A 41 -0.502 11.793 1.439 1.00 2.20 C ATOM 682 NH1 ARG A 41 -0.233 12.275 2.657 1.00 51.13 N ATOM 683 NH2 ARG A 41 -0.334 12.570 0.379 1.00 1.32 N ATOM 0 H ARG A 41 -4.103 6.675 3.139 1.00 5.23 H new ATOM 0 HA ARG A 41 -2.098 5.541 1.370 1.00 44.31 H new ATOM 0 HB2 ARG A 41 -2.001 7.378 3.809 1.00 25.11 H new ATOM 0 HB3 ARG A 41 -0.580 6.889 2.909 1.00 25.11 H new ATOM 0 HG2 ARG A 41 -1.525 7.999 0.862 1.00 40.11 H new ATOM 0 HG3 ARG A 41 -2.899 8.535 1.809 1.00 40.11 H new ATOM 0 HD2 ARG A 41 -1.542 9.973 3.181 1.00 43.11 H new ATOM 0 HD3 ARG A 41 -0.055 9.201 2.670 1.00 43.11 H new ATOM 0 HE ARG A 41 -1.088 10.222 0.308 1.00 43.14 H new ATOM 0 HH11 ARG A 41 -0.318 11.671 3.475 1.00 51.13 H new ATOM 0 HH12 ARG A 41 0.057 13.246 2.768 1.00 51.13 H new ATOM 0 HH21 ARG A 41 -0.496 12.198 -0.557 1.00 1.32 H new ATOM 0 HH22 ARG A 41 -0.042 13.540 0.499 1.00 1.32 H new ATOM 697 N VAL A 42 -1.576 3.493 2.776 1.00 11.24 N ATOM 698 CA VAL A 42 -1.032 2.379 3.564 1.00 21.22 C ATOM 699 C VAL A 42 0.497 2.438 3.508 1.00 54.24 C ATOM 700 O VAL A 42 1.072 2.404 2.420 1.00 2.24 O ATOM 701 CB VAL A 42 -1.545 0.984 3.042 1.00 2.35 C ATOM 702 CG1 VAL A 42 -1.070 -0.180 3.946 1.00 3.12 C ATOM 703 CG2 VAL A 42 -3.079 0.975 2.917 1.00 21.53 C ATOM 0 H VAL A 42 -1.659 3.298 1.778 1.00 11.24 H new ATOM 0 HA VAL A 42 -1.376 2.480 4.593 1.00 21.22 H new ATOM 0 HB VAL A 42 -1.113 0.832 2.053 1.00 2.35 H new ATOM 0 HG11 VAL A 42 -1.445 -1.124 3.551 1.00 3.12 H new ATOM 0 HG12 VAL A 42 0.020 -0.203 3.967 1.00 3.12 H new ATOM 0 HG13 VAL A 42 -1.449 -0.033 4.957 1.00 3.12 H new ATOM 0 HG21 VAL A 42 -3.409 0.001 2.555 1.00 21.53 H new ATOM 0 HG22 VAL A 42 -3.525 1.169 3.893 1.00 21.53 H new ATOM 0 HG23 VAL A 42 -3.391 1.748 2.215 1.00 21.53 H new ATOM 713 N GLU A 43 1.145 2.597 4.668 1.00 70.31 N ATOM 714 CA GLU A 43 2.594 2.419 4.787 1.00 61.05 C ATOM 715 C GLU A 43 2.872 0.932 4.972 1.00 75.13 C ATOM 716 O GLU A 43 2.428 0.326 5.941 1.00 14.13 O ATOM 717 CB GLU A 43 3.197 3.218 5.972 1.00 74.54 C ATOM 718 CG GLU A 43 3.057 4.751 5.855 1.00 13.12 C ATOM 719 CD GLU A 43 1.647 5.270 6.164 1.00 4.31 C ATOM 720 OE1 GLU A 43 0.908 5.639 5.227 1.00 54.43 O ATOM 721 OE2 GLU A 43 1.291 5.323 7.355 1.00 3.54 O ATOM 0 H GLU A 43 0.684 2.850 5.542 1.00 70.31 H new ATOM 0 HA GLU A 43 3.065 2.801 3.881 1.00 61.05 H new ATOM 0 HB2 GLU A 43 2.716 2.892 6.894 1.00 74.54 H new ATOM 0 HB3 GLU A 43 4.255 2.969 6.059 1.00 74.54 H new ATOM 0 HG2 GLU A 43 3.765 5.224 6.535 1.00 13.12 H new ATOM 0 HG3 GLU A 43 3.333 5.056 4.845 1.00 13.12 H new ATOM 728 N LEU A 44 3.547 0.341 4.002 1.00 32.12 N ATOM 729 CA LEU A 44 4.001 -1.045 4.073 1.00 3.11 C ATOM 730 C LEU A 44 5.517 -1.060 4.241 1.00 53.50 C ATOM 731 O LEU A 44 6.168 -0.021 4.152 1.00 53.00 O ATOM 732 CB LEU A 44 3.541 -1.854 2.834 1.00 13.44 C ATOM 733 CG LEU A 44 2.018 -1.708 2.459 1.00 14.53 C ATOM 734 CD1 LEU A 44 1.796 -0.526 1.503 1.00 42.30 C ATOM 735 CD2 LEU A 44 1.421 -3.003 1.884 1.00 40.50 C ATOM 0 H LEU A 44 3.800 0.811 3.133 1.00 32.12 H new ATOM 0 HA LEU A 44 3.549 -1.533 4.937 1.00 3.11 H new ATOM 0 HB2 LEU A 44 4.140 -1.546 1.977 1.00 13.44 H new ATOM 0 HB3 LEU A 44 3.755 -2.908 3.010 1.00 13.44 H new ATOM 0 HG LEU A 44 1.486 -1.505 3.388 1.00 14.53 H new ATOM 0 HD11 LEU A 44 0.736 -0.448 1.261 1.00 42.30 H new ATOM 0 HD12 LEU A 44 2.127 0.396 1.981 1.00 42.30 H new ATOM 0 HD13 LEU A 44 2.367 -0.686 0.588 1.00 42.30 H new ATOM 0 HD21 LEU A 44 0.370 -2.844 1.644 1.00 40.50 H new ATOM 0 HD22 LEU A 44 1.962 -3.283 0.980 1.00 40.50 H new ATOM 0 HD23 LEU A 44 1.508 -3.802 2.620 1.00 40.50 H new ATOM 747 N GLU A 45 6.064 -2.238 4.510 1.00 41.21 N ATOM 748 CA GLU A 45 7.444 -2.402 4.941 1.00 44.35 C ATOM 749 C GLU A 45 8.069 -3.574 4.170 1.00 65.32 C ATOM 750 O GLU A 45 7.736 -4.737 4.400 1.00 5.43 O ATOM 751 CB GLU A 45 7.437 -2.603 6.477 1.00 74.52 C ATOM 752 CG GLU A 45 8.821 -2.651 7.132 1.00 32.12 C ATOM 753 CD GLU A 45 8.777 -2.419 8.655 1.00 10.33 C ATOM 754 OE1 GLU A 45 8.424 -3.354 9.397 1.00 41.22 O ATOM 755 OE2 GLU A 45 9.095 -1.298 9.108 1.00 3.41 O ATOM 0 H GLU A 45 5.554 -3.118 4.434 1.00 41.21 H new ATOM 0 HA GLU A 45 8.057 -1.527 4.724 1.00 44.35 H new ATOM 0 HB2 GLU A 45 6.865 -1.794 6.931 1.00 74.52 H new ATOM 0 HB3 GLU A 45 6.912 -3.531 6.704 1.00 74.52 H new ATOM 0 HG2 GLU A 45 9.278 -3.620 6.931 1.00 32.12 H new ATOM 0 HG3 GLU A 45 9.460 -1.896 6.674 1.00 32.12 H new ATOM 762 N LEU A 46 8.962 -3.236 3.236 1.00 40.50 N ATOM 763 CA LEU A 46 9.512 -4.156 2.226 1.00 75.44 C ATOM 764 C LEU A 46 11.047 -4.079 2.273 1.00 24.41 C ATOM 765 O LEU A 46 11.606 -2.989 2.372 1.00 33.42 O ATOM 766 CB LEU A 46 8.923 -3.735 0.840 1.00 11.52 C ATOM 767 CG LEU A 46 9.311 -4.575 -0.432 1.00 54.32 C ATOM 768 CD1 LEU A 46 8.254 -4.432 -1.546 1.00 33.24 C ATOM 769 CD2 LEU A 46 10.691 -4.175 -0.992 1.00 64.02 C ATOM 0 H LEU A 46 9.335 -2.290 3.156 1.00 40.50 H new ATOM 0 HA LEU A 46 9.239 -5.195 2.413 1.00 75.44 H new ATOM 0 HB2 LEU A 46 7.836 -3.747 0.925 1.00 11.52 H new ATOM 0 HB3 LEU A 46 9.217 -2.702 0.656 1.00 11.52 H new ATOM 0 HG LEU A 46 9.355 -5.615 -0.107 1.00 54.32 H new ATOM 0 HD11 LEU A 46 8.553 -5.025 -2.410 1.00 33.24 H new ATOM 0 HD12 LEU A 46 7.290 -4.785 -1.180 1.00 33.24 H new ATOM 0 HD13 LEU A 46 8.171 -3.385 -1.836 1.00 33.24 H new ATOM 0 HD21 LEU A 46 10.917 -4.781 -1.869 1.00 64.02 H new ATOM 0 HD22 LEU A 46 10.679 -3.122 -1.272 1.00 64.02 H new ATOM 0 HD23 LEU A 46 11.454 -4.339 -0.231 1.00 64.02 H new ATOM 781 N ARG A 47 11.726 -5.234 2.179 1.00 51.23 N ATOM 782 CA ARG A 47 13.196 -5.312 2.309 1.00 23.23 C ATOM 783 C ARG A 47 13.866 -5.457 0.923 1.00 15.54 C ATOM 784 O ARG A 47 13.929 -6.558 0.371 1.00 72.04 O ATOM 785 CB ARG A 47 13.569 -6.506 3.232 1.00 11.20 C ATOM 786 CG ARG A 47 13.107 -6.350 4.702 1.00 63.41 C ATOM 787 CD ARG A 47 13.515 -7.546 5.592 1.00 52.13 C ATOM 788 NE ARG A 47 12.916 -8.815 5.135 1.00 2.14 N ATOM 789 CZ ARG A 47 13.588 -9.905 4.711 1.00 51.11 C ATOM 790 NH1 ARG A 47 14.919 -9.921 4.661 1.00 65.00 N ATOM 791 NH2 ARG A 47 12.911 -10.977 4.328 1.00 54.14 N ATOM 0 H ARG A 47 11.278 -6.135 2.012 1.00 51.23 H new ATOM 0 HA ARG A 47 13.563 -4.388 2.755 1.00 23.23 H new ATOM 0 HB2 ARG A 47 13.132 -7.416 2.822 1.00 11.20 H new ATOM 0 HB3 ARG A 47 14.651 -6.637 3.216 1.00 11.20 H new ATOM 0 HG2 ARG A 47 13.531 -5.435 5.115 1.00 63.41 H new ATOM 0 HG3 ARG A 47 12.023 -6.239 4.727 1.00 63.41 H new ATOM 0 HD2 ARG A 47 14.601 -7.640 5.595 1.00 52.13 H new ATOM 0 HD3 ARG A 47 13.209 -7.352 6.620 1.00 52.13 H new ATOM 0 HE ARG A 47 11.898 -8.873 5.140 1.00 2.14 H new ATOM 0 HH11 ARG A 47 15.450 -9.098 4.947 1.00 65.00 H new ATOM 0 HH12 ARG A 47 15.407 -10.756 4.337 1.00 65.00 H new ATOM 0 HH21 ARG A 47 11.891 -10.973 4.355 1.00 54.14 H new ATOM 0 HH22 ARG A 47 13.409 -11.807 4.006 1.00 54.14 H new ATOM 862 N LYS A 52 15.725 -2.361 4.661 1.00 13.11 N ATOM 863 CA LYS A 52 14.309 -2.210 4.996 1.00 53.44 C ATOM 864 C LYS A 52 13.863 -0.793 4.578 1.00 30.34 C ATOM 865 O LYS A 52 14.338 0.209 5.133 1.00 12.41 O ATOM 866 CB LYS A 52 14.110 -2.470 6.525 1.00 34.42 C ATOM 867 CG LYS A 52 12.640 -2.468 7.040 1.00 31.40 C ATOM 868 CD LYS A 52 12.054 -1.056 7.314 1.00 51.32 C ATOM 869 CE LYS A 52 12.825 -0.283 8.390 1.00 43.20 C ATOM 870 NZ LYS A 52 12.233 1.058 8.616 1.00 1.11 N ATOM 0 HA LYS A 52 13.693 -2.934 4.462 1.00 53.44 H new ATOM 0 HB2 LYS A 52 14.557 -3.434 6.769 1.00 34.42 H new ATOM 0 HB3 LYS A 52 14.667 -1.712 7.076 1.00 34.42 H new ATOM 0 HG2 LYS A 52 12.011 -2.972 6.306 1.00 31.40 H new ATOM 0 HG3 LYS A 52 12.590 -3.053 7.959 1.00 31.40 H new ATOM 0 HD2 LYS A 52 12.059 -0.481 6.388 1.00 51.32 H new ATOM 0 HD3 LYS A 52 11.013 -1.155 7.622 1.00 51.32 H new ATOM 0 HE2 LYS A 52 12.818 -0.848 9.322 1.00 43.20 H new ATOM 0 HE3 LYS A 52 13.867 -0.177 8.089 1.00 43.20 H new ATOM 0 HZ1 LYS A 52 12.957 1.788 8.461 1.00 1.11 H new ATOM 0 HZ2 LYS A 52 11.445 1.206 7.954 1.00 1.11 H new ATOM 0 HZ3 LYS A 52 11.881 1.122 9.593 1.00 1.11 H new ATOM 884 N GLU A 53 12.972 -0.735 3.580 1.00 74.22 N ATOM 885 CA GLU A 53 12.386 0.510 3.046 1.00 1.25 C ATOM 886 C GLU A 53 10.859 0.457 3.209 1.00 40.22 C ATOM 887 O GLU A 53 10.224 -0.524 2.812 1.00 32.35 O ATOM 888 CB GLU A 53 12.762 0.706 1.550 1.00 33.44 C ATOM 889 CG GLU A 53 14.275 0.852 1.305 1.00 51.21 C ATOM 890 CD GLU A 53 14.628 1.196 -0.150 1.00 4.22 C ATOM 891 OE1 GLU A 53 14.440 0.333 -1.034 1.00 70.05 O ATOM 892 OE2 GLU A 53 15.106 2.325 -0.413 1.00 70.23 O ATOM 0 H GLU A 53 12.628 -1.571 3.107 1.00 74.22 H new ATOM 0 HA GLU A 53 12.786 1.357 3.603 1.00 1.25 H new ATOM 0 HB2 GLU A 53 12.391 -0.144 0.977 1.00 33.44 H new ATOM 0 HB3 GLU A 53 12.254 1.593 1.170 1.00 33.44 H new ATOM 0 HG2 GLU A 53 14.668 1.630 1.960 1.00 51.21 H new ATOM 0 HG3 GLU A 53 14.772 -0.078 1.581 1.00 51.21 H new ATOM 899 N ASN A 54 10.280 1.505 3.819 1.00 42.32 N ATOM 900 CA ASN A 54 8.821 1.650 3.969 1.00 52.32 C ATOM 901 C ASN A 54 8.257 2.372 2.737 1.00 13.20 C ATOM 902 O ASN A 54 8.797 3.395 2.324 1.00 51.33 O ATOM 903 CB ASN A 54 8.471 2.427 5.270 1.00 13.44 C ATOM 904 CG ASN A 54 8.906 1.677 6.532 1.00 52.11 C ATOM 905 OD1 ASN A 54 10.028 1.846 7.015 1.00 23.41 O ATOM 906 ND2 ASN A 54 8.035 0.825 7.058 1.00 73.33 N ATOM 0 H ASN A 54 10.811 2.277 4.223 1.00 42.32 H new ATOM 0 HA ASN A 54 8.370 0.661 4.046 1.00 52.32 H new ATOM 0 HB2 ASN A 54 8.953 3.404 5.247 1.00 13.44 H new ATOM 0 HB3 ASN A 54 7.396 2.602 5.307 1.00 13.44 H new ATOM 0 HD21 ASN A 54 8.286 0.286 7.887 1.00 73.33 H new ATOM 0 HD22 ASN A 54 7.115 0.709 6.633 1.00 73.33 H new ATOM 913 N TYR A 55 7.207 1.813 2.128 1.00 12.12 N ATOM 914 CA TYR A 55 6.543 2.412 0.962 1.00 72.45 C ATOM 915 C TYR A 55 5.120 2.821 1.346 1.00 2.21 C ATOM 916 O TYR A 55 4.310 1.971 1.708 1.00 53.11 O ATOM 917 CB TYR A 55 6.491 1.405 -0.215 1.00 25.43 C ATOM 918 CG TYR A 55 7.859 0.934 -0.732 1.00 70.01 C ATOM 919 CD1 TYR A 55 8.419 1.464 -1.901 1.00 53.43 C ATOM 920 CD2 TYR A 55 8.586 -0.053 -0.060 1.00 21.14 C ATOM 921 CE1 TYR A 55 9.643 1.021 -2.370 1.00 61.24 C ATOM 922 CE2 TYR A 55 9.801 -0.488 -0.524 1.00 1.41 C ATOM 923 CZ TYR A 55 10.324 0.043 -1.671 1.00 44.35 C ATOM 924 OH TYR A 55 11.534 -0.411 -2.124 1.00 62.34 O ATOM 0 H TYR A 55 6.791 0.931 2.429 1.00 12.12 H new ATOM 0 HA TYR A 55 7.110 3.287 0.646 1.00 72.45 H new ATOM 0 HB2 TYR A 55 5.919 0.532 0.099 1.00 25.43 H new ATOM 0 HB3 TYR A 55 5.946 1.863 -1.041 1.00 25.43 H new ATOM 0 HD1 TYR A 55 7.887 2.231 -2.445 1.00 53.43 H new ATOM 0 HD2 TYR A 55 8.182 -0.483 0.845 1.00 21.14 H new ATOM 0 HE1 TYR A 55 10.062 1.436 -3.275 1.00 61.24 H new ATOM 0 HE2 TYR A 55 10.345 -1.249 0.016 1.00 1.41 H new ATOM 0 HH TYR A 55 12.254 -0.007 -1.595 1.00 62.34 H new ATOM 934 N THR A 56 4.828 4.121 1.249 1.00 35.31 N ATOM 935 CA THR A 56 3.484 4.651 1.420 1.00 5.14 C ATOM 936 C THR A 56 2.759 4.577 0.074 1.00 63.41 C ATOM 937 O THR A 56 2.965 5.414 -0.813 1.00 64.22 O ATOM 938 CB THR A 56 3.529 6.123 1.920 1.00 0.02 C ATOM 939 OG1 THR A 56 4.330 6.214 3.113 1.00 23.44 O ATOM 940 CG2 THR A 56 2.121 6.679 2.192 1.00 75.42 C ATOM 0 H THR A 56 5.527 4.836 1.048 1.00 35.31 H new ATOM 0 HA THR A 56 2.954 4.060 2.167 1.00 5.14 H new ATOM 0 HB THR A 56 3.977 6.726 1.130 1.00 0.02 H new ATOM 0 HG1 THR A 56 4.355 7.144 3.420 1.00 23.44 H new ATOM 0 HG21 THR A 56 2.198 7.709 2.539 1.00 75.42 H new ATOM 0 HG22 THR A 56 1.534 6.648 1.274 1.00 75.42 H new ATOM 0 HG23 THR A 56 1.632 6.074 2.956 1.00 75.42 H new ATOM 948 N VAL A 57 1.915 3.560 -0.067 1.00 13.32 N ATOM 949 CA VAL A 57 1.120 3.348 -1.268 1.00 72.45 C ATOM 950 C VAL A 57 -0.242 4.025 -1.073 1.00 44.25 C ATOM 951 O VAL A 57 -1.080 3.562 -0.290 1.00 71.14 O ATOM 952 CB VAL A 57 0.937 1.819 -1.591 1.00 22.32 C ATOM 953 CG1 VAL A 57 0.114 1.618 -2.883 1.00 23.44 C ATOM 954 CG2 VAL A 57 2.307 1.110 -1.692 1.00 32.22 C ATOM 0 H VAL A 57 1.764 2.856 0.655 1.00 13.32 H new ATOM 0 HA VAL A 57 1.642 3.786 -2.119 1.00 72.45 H new ATOM 0 HB VAL A 57 0.382 1.367 -0.769 1.00 22.32 H new ATOM 0 HG11 VAL A 57 0.003 0.552 -3.082 1.00 23.44 H new ATOM 0 HG12 VAL A 57 -0.871 2.069 -2.761 1.00 23.44 H new ATOM 0 HG13 VAL A 57 0.628 2.092 -3.719 1.00 23.44 H new ATOM 0 HG21 VAL A 57 2.155 0.054 -1.916 1.00 32.22 H new ATOM 0 HG22 VAL A 57 2.896 1.568 -2.487 1.00 32.22 H new ATOM 0 HG23 VAL A 57 2.838 1.207 -0.745 1.00 32.22 H new ATOM 964 N GLU A 58 -0.415 5.152 -1.769 1.00 51.25 N ATOM 965 CA GLU A 58 -1.652 5.935 -1.758 1.00 5.12 C ATOM 966 C GLU A 58 -2.672 5.224 -2.653 1.00 44.21 C ATOM 967 O GLU A 58 -2.487 5.170 -3.860 1.00 63.51 O ATOM 968 CB GLU A 58 -1.368 7.366 -2.291 1.00 31.50 C ATOM 969 CG GLU A 58 -0.222 8.098 -1.572 1.00 33.42 C ATOM 970 CD GLU A 58 0.010 9.513 -2.118 1.00 12.24 C ATOM 971 OE1 GLU A 58 -0.738 10.441 -1.734 1.00 34.44 O ATOM 972 OE2 GLU A 58 0.938 9.706 -2.928 1.00 52.12 O ATOM 0 H GLU A 58 0.311 5.551 -2.364 1.00 51.25 H new ATOM 0 HA GLU A 58 -2.044 6.019 -0.745 1.00 5.12 H new ATOM 0 HB2 GLU A 58 -1.133 7.304 -3.354 1.00 31.50 H new ATOM 0 HB3 GLU A 58 -2.277 7.961 -2.200 1.00 31.50 H new ATOM 0 HG2 GLU A 58 -0.445 8.156 -0.507 1.00 33.42 H new ATOM 0 HG3 GLU A 58 0.695 7.518 -1.675 1.00 33.42 H new ATOM 979 N VAL A 59 -3.687 4.604 -2.040 1.00 54.40 N ATOM 980 CA VAL A 59 -4.787 3.931 -2.761 1.00 61.55 C ATOM 981 C VAL A 59 -6.091 4.713 -2.528 1.00 22.31 C ATOM 982 O VAL A 59 -6.479 4.933 -1.385 1.00 52.03 O ATOM 983 CB VAL A 59 -4.969 2.443 -2.284 1.00 72.42 C ATOM 984 CG1 VAL A 59 -6.031 1.711 -3.135 1.00 1.22 C ATOM 985 CG2 VAL A 59 -3.625 1.675 -2.279 1.00 14.11 C ATOM 0 H VAL A 59 -3.774 4.552 -1.025 1.00 54.40 H new ATOM 0 HA VAL A 59 -4.541 3.911 -3.823 1.00 61.55 H new ATOM 0 HB VAL A 59 -5.328 2.472 -1.255 1.00 72.42 H new ATOM 0 HG11 VAL A 59 -6.135 0.685 -2.783 1.00 1.22 H new ATOM 0 HG12 VAL A 59 -6.988 2.225 -3.044 1.00 1.22 H new ATOM 0 HG13 VAL A 59 -5.720 1.706 -4.180 1.00 1.22 H new ATOM 0 HG21 VAL A 59 -3.792 0.651 -1.944 1.00 14.11 H new ATOM 0 HG22 VAL A 59 -3.209 1.664 -3.286 1.00 14.11 H new ATOM 0 HG23 VAL A 59 -2.926 2.169 -1.603 1.00 14.11 H new ATOM 995 N GLU A 60 -6.756 5.129 -3.609 1.00 13.21 N ATOM 996 CA GLU A 60 -7.984 5.932 -3.546 1.00 72.20 C ATOM 997 C GLU A 60 -9.173 5.118 -4.064 1.00 63.10 C ATOM 998 O GLU A 60 -9.023 4.269 -4.949 1.00 70.34 O ATOM 999 CB GLU A 60 -7.796 7.212 -4.377 1.00 40.41 C ATOM 1000 CG GLU A 60 -8.959 8.220 -4.330 1.00 14.42 C ATOM 1001 CD GLU A 60 -8.711 9.438 -5.232 1.00 3.22 C ATOM 1002 OE1 GLU A 60 -8.006 10.372 -4.800 1.00 72.24 O ATOM 1003 OE2 GLU A 60 -9.186 9.438 -6.387 1.00 2.04 O ATOM 0 H GLU A 60 -6.456 4.917 -4.561 1.00 13.21 H new ATOM 0 HA GLU A 60 -8.188 6.208 -2.511 1.00 72.20 H new ATOM 0 HB2 GLU A 60 -6.891 7.714 -4.035 1.00 40.41 H new ATOM 0 HB3 GLU A 60 -7.629 6.927 -5.416 1.00 40.41 H new ATOM 0 HG2 GLU A 60 -9.879 7.724 -4.638 1.00 14.42 H new ATOM 0 HG3 GLU A 60 -9.105 8.555 -3.303 1.00 14.42 H new ATOM 1010 N ARG A 61 -10.348 5.387 -3.484 1.00 64.53 N ATOM 1011 CA ARG A 61 -11.599 4.718 -3.839 1.00 62.25 C ATOM 1012 C ARG A 61 -12.125 5.246 -5.184 1.00 62.12 C ATOM 1013 O ARG A 61 -12.607 6.381 -5.269 1.00 63.35 O ATOM 1014 CB ARG A 61 -12.646 4.962 -2.733 1.00 51.03 C ATOM 1015 CG ARG A 61 -13.962 4.189 -2.922 1.00 75.23 C ATOM 1016 CD ARG A 61 -13.810 2.674 -2.679 1.00 14.31 C ATOM 1017 NE ARG A 61 -15.088 1.954 -2.696 1.00 71.32 N ATOM 1018 CZ ARG A 61 -16.115 2.157 -1.859 1.00 34.34 C ATOM 1019 NH1 ARG A 61 -16.066 3.054 -0.892 1.00 13.30 N ATOM 1020 NH2 ARG A 61 -17.192 1.429 -1.971 1.00 53.15 N ATOM 0 H ARG A 61 -10.455 6.084 -2.747 1.00 64.53 H new ATOM 0 HA ARG A 61 -11.414 3.648 -3.934 1.00 62.25 H new ATOM 0 HB2 ARG A 61 -12.212 4.687 -1.772 1.00 51.03 H new ATOM 0 HB3 ARG A 61 -12.868 6.028 -2.689 1.00 51.03 H new ATOM 0 HG2 ARG A 61 -14.712 4.588 -2.239 1.00 75.23 H new ATOM 0 HG3 ARG A 61 -14.332 4.354 -3.934 1.00 75.23 H new ATOM 0 HD2 ARG A 61 -13.154 2.254 -3.442 1.00 14.31 H new ATOM 0 HD3 ARG A 61 -13.323 2.514 -1.717 1.00 14.31 H new ATOM 0 HE ARG A 61 -15.206 1.234 -3.409 1.00 71.32 H new ATOM 0 HH11 ARG A 61 -15.227 3.620 -0.763 1.00 13.30 H new ATOM 0 HH12 ARG A 61 -16.867 3.181 -0.274 1.00 13.30 H new ATOM 0 HH21 ARG A 61 -17.249 0.710 -2.692 1.00 53.15 H new ATOM 0 HH22 ARG A 61 -17.977 1.579 -1.337 1.00 53.15 H new ATOM 1034 N GLN A 62 -12.003 4.416 -6.222 1.00 71.23 N ATOM 1035 CA GLN A 62 -12.555 4.697 -7.553 1.00 64.52 C ATOM 1036 C GLN A 62 -13.978 4.104 -7.625 1.00 75.00 C ATOM 1037 O GLN A 62 -14.187 2.997 -8.135 1.00 63.35 O ATOM 1038 CB GLN A 62 -11.632 4.105 -8.665 1.00 1.35 C ATOM 1039 CG GLN A 62 -11.967 4.589 -10.093 1.00 44.34 C ATOM 1040 CD GLN A 62 -11.784 6.102 -10.272 1.00 32.53 C ATOM 1041 OE1 GLN A 62 -10.704 6.569 -10.619 1.00 53.32 O ATOM 1042 NE2 GLN A 62 -12.832 6.881 -10.040 1.00 31.53 N ATOM 0 H GLN A 62 -11.515 3.522 -6.164 1.00 71.23 H new ATOM 0 HA GLN A 62 -12.606 5.773 -7.720 1.00 64.52 H new ATOM 0 HB2 GLN A 62 -10.598 4.365 -8.439 1.00 1.35 H new ATOM 0 HB3 GLN A 62 -11.701 3.018 -8.637 1.00 1.35 H new ATOM 0 HG2 GLN A 62 -11.331 4.065 -10.807 1.00 44.34 H new ATOM 0 HG3 GLN A 62 -12.997 4.323 -10.328 1.00 44.34 H new ATOM 0 HE21 GLN A 62 -13.720 6.469 -9.752 1.00 31.53 H new ATOM 0 HE22 GLN A 62 -12.750 7.892 -10.149 1.00 31.53 H new ATOM 1051 N GLY A 63 -14.934 4.844 -7.029 1.00 74.33 N ATOM 1052 CA GLY A 63 -16.341 4.446 -6.984 1.00 63.45 C ATOM 1053 C GLY A 63 -16.588 3.302 -6.013 1.00 12.03 C ATOM 1054 O GLY A 63 -16.674 3.512 -4.801 1.00 32.20 O ATOM 0 H GLY A 63 -14.745 5.734 -6.567 1.00 74.33 H new ATOM 0 HA2 GLY A 63 -16.949 5.303 -6.694 1.00 63.45 H new ATOM 0 HA3 GLY A 63 -16.664 4.149 -7.982 1.00 63.45 H new ATOM 1058 N ASN A 64 -16.703 2.090 -6.569 1.00 51.11 N ATOM 1059 CA ASN A 64 -16.865 0.838 -5.802 1.00 52.12 C ATOM 1060 C ASN A 64 -15.500 0.165 -5.587 1.00 42.23 C ATOM 1061 O ASN A 64 -15.267 -0.459 -4.553 1.00 14.41 O ATOM 1062 CB ASN A 64 -17.830 -0.123 -6.552 1.00 3.21 C ATOM 1063 CG ASN A 64 -19.282 0.363 -6.533 1.00 23.15 C ATOM 1064 OD1 ASN A 64 -20.080 -0.060 -5.700 1.00 22.35 O ATOM 1065 ND2 ASN A 64 -19.626 1.285 -7.420 1.00 42.52 N ATOM 0 H ASN A 64 -16.687 1.944 -7.578 1.00 51.11 H new ATOM 0 HA ASN A 64 -17.292 1.074 -4.827 1.00 52.12 H new ATOM 0 HB2 ASN A 64 -17.500 -0.229 -7.586 1.00 3.21 H new ATOM 0 HB3 ASN A 64 -17.776 -1.112 -6.098 1.00 3.21 H new ATOM 0 HD21 ASN A 64 -20.574 1.662 -7.423 1.00 42.52 H new ATOM 0 HD22 ASN A 64 -18.943 1.618 -8.100 1.00 42.52 H new ATOM 1072 N THR A 65 -14.594 0.335 -6.563 1.00 2.11 N ATOM 1073 CA THR A 65 -13.272 -0.317 -6.574 1.00 15.41 C ATOM 1074 C THR A 65 -12.180 0.615 -6.002 1.00 30.24 C ATOM 1075 O THR A 65 -12.461 1.756 -5.641 1.00 63.11 O ATOM 1076 CB THR A 65 -12.909 -0.762 -8.030 1.00 31.13 C ATOM 1077 OG1 THR A 65 -13.011 0.359 -8.925 1.00 30.14 O ATOM 1078 CG2 THR A 65 -13.833 -1.896 -8.520 1.00 52.40 C ATOM 0 H THR A 65 -14.758 0.933 -7.373 1.00 2.11 H new ATOM 0 HA THR A 65 -13.320 -1.198 -5.934 1.00 15.41 H new ATOM 0 HB THR A 65 -11.885 -1.135 -8.019 1.00 31.13 H new ATOM 0 HG1 THR A 65 -12.781 0.074 -9.834 1.00 30.14 H new ATOM 0 HG21 THR A 65 -13.553 -2.181 -9.534 1.00 52.40 H new ATOM 0 HG22 THR A 65 -13.732 -2.758 -7.860 1.00 52.40 H new ATOM 0 HG23 THR A 65 -14.867 -1.552 -8.512 1.00 52.40 H new ATOM 1086 N TRP A 66 -10.945 0.089 -5.898 1.00 54.23 N ATOM 1087 CA TRP A 66 -9.761 0.811 -5.395 1.00 44.23 C ATOM 1088 C TRP A 66 -8.681 0.880 -6.494 1.00 64.44 C ATOM 1089 O TRP A 66 -8.581 -0.033 -7.320 1.00 62.44 O ATOM 1090 CB TRP A 66 -9.203 0.092 -4.136 1.00 51.33 C ATOM 1091 CG TRP A 66 -10.125 0.179 -2.941 1.00 53.53 C ATOM 1092 CD1 TRP A 66 -11.090 -0.715 -2.557 1.00 15.45 C ATOM 1093 CD2 TRP A 66 -10.179 1.253 -1.993 1.00 72.50 C ATOM 1094 NE1 TRP A 66 -11.727 -0.259 -1.430 1.00 72.14 N ATOM 1095 CE2 TRP A 66 -11.184 0.945 -1.066 1.00 40.30 C ATOM 1096 CE3 TRP A 66 -9.463 2.445 -1.840 1.00 33.34 C ATOM 1097 CZ2 TRP A 66 -11.496 1.789 -0.006 1.00 23.11 C ATOM 1098 CZ3 TRP A 66 -9.776 3.280 -0.789 1.00 55.21 C ATOM 1099 CH2 TRP A 66 -10.785 2.948 0.117 1.00 60.14 C ATOM 0 H TRP A 66 -10.738 -0.873 -6.168 1.00 54.23 H new ATOM 0 HA TRP A 66 -10.048 1.827 -5.123 1.00 44.23 H new ATOM 0 HB2 TRP A 66 -9.025 -0.957 -4.374 1.00 51.33 H new ATOM 0 HB3 TRP A 66 -8.239 0.527 -3.875 1.00 51.33 H new ATOM 0 HD1 TRP A 66 -11.316 -1.641 -3.066 1.00 15.45 H new ATOM 0 HE1 TRP A 66 -12.483 -0.739 -0.942 1.00 72.14 H new ATOM 0 HE3 TRP A 66 -8.678 2.707 -2.534 1.00 33.34 H new ATOM 0 HZ2 TRP A 66 -12.276 1.536 0.697 1.00 23.11 H new ATOM 0 HZ3 TRP A 66 -9.233 4.205 -0.664 1.00 55.21 H new ATOM 0 HH2 TRP A 66 -11.008 3.621 0.931 1.00 60.14 H new ATOM 1110 N THR A 67 -7.875 1.963 -6.487 1.00 1.12 N ATOM 1111 CA THR A 67 -6.799 2.178 -7.474 1.00 65.32 C ATOM 1112 C THR A 67 -5.626 2.945 -6.828 1.00 60.31 C ATOM 1113 O THR A 67 -5.839 3.864 -6.039 1.00 42.24 O ATOM 1114 CB THR A 67 -7.331 2.935 -8.743 1.00 23.34 C ATOM 1115 OG1 THR A 67 -6.321 2.952 -9.760 1.00 65.12 O ATOM 1116 CG2 THR A 67 -7.797 4.382 -8.433 1.00 13.01 C ATOM 0 H THR A 67 -7.953 2.711 -5.798 1.00 1.12 H new ATOM 0 HA THR A 67 -6.439 1.203 -7.801 1.00 65.32 H new ATOM 0 HB THR A 67 -8.207 2.390 -9.095 1.00 23.34 H new ATOM 0 HG1 THR A 67 -6.660 3.424 -10.549 1.00 65.12 H new ATOM 0 HG21 THR A 67 -8.154 4.853 -9.349 1.00 13.01 H new ATOM 0 HG22 THR A 67 -8.604 4.355 -7.701 1.00 13.01 H new ATOM 0 HG23 THR A 67 -6.961 4.955 -8.031 1.00 13.01 H new ATOM 1124 N VAL A 68 -4.385 2.556 -7.166 1.00 12.11 N ATOM 1125 CA VAL A 68 -3.167 3.159 -6.589 1.00 72.24 C ATOM 1126 C VAL A 68 -2.828 4.488 -7.292 1.00 12.52 C ATOM 1127 O VAL A 68 -2.509 4.501 -8.483 1.00 71.14 O ATOM 1128 CB VAL A 68 -1.943 2.171 -6.672 1.00 72.22 C ATOM 1129 CG1 VAL A 68 -0.625 2.841 -6.203 1.00 24.42 C ATOM 1130 CG2 VAL A 68 -2.239 0.886 -5.863 1.00 23.11 C ATOM 0 H VAL A 68 -4.196 1.818 -7.844 1.00 12.11 H new ATOM 0 HA VAL A 68 -3.368 3.362 -5.537 1.00 72.24 H new ATOM 0 HB VAL A 68 -1.802 1.899 -7.718 1.00 72.22 H new ATOM 0 HG11 VAL A 68 0.193 2.125 -6.276 1.00 24.42 H new ATOM 0 HG12 VAL A 68 -0.410 3.703 -6.834 1.00 24.42 H new ATOM 0 HG13 VAL A 68 -0.731 3.167 -5.168 1.00 24.42 H new ATOM 0 HG21 VAL A 68 -1.386 0.211 -5.928 1.00 23.11 H new ATOM 0 HG22 VAL A 68 -2.418 1.146 -4.820 1.00 23.11 H new ATOM 0 HG23 VAL A 68 -3.122 0.395 -6.271 1.00 23.11 H new ATOM 1140 N LYS A 69 -2.924 5.590 -6.525 1.00 55.00 N ATOM 1141 CA LYS A 69 -2.556 6.951 -6.959 1.00 11.42 C ATOM 1142 C LYS A 69 -1.047 7.050 -7.227 1.00 54.24 C ATOM 1143 O LYS A 69 -0.622 7.460 -8.320 1.00 12.43 O ATOM 1144 CB LYS A 69 -2.963 7.983 -5.859 1.00 54.12 C ATOM 1145 CG LYS A 69 -4.462 7.978 -5.506 1.00 1.21 C ATOM 1146 CD LYS A 69 -5.363 8.354 -6.702 1.00 65.44 C ATOM 1147 CE LYS A 69 -5.162 9.804 -7.160 1.00 51.40 C ATOM 1148 NZ LYS A 69 -6.024 10.145 -8.315 1.00 74.41 N ATOM 0 H LYS A 69 -3.267 5.558 -5.565 1.00 55.00 H new ATOM 0 HA LYS A 69 -3.087 7.173 -7.885 1.00 11.42 H new ATOM 0 HB2 LYS A 69 -2.389 7.778 -4.955 1.00 54.12 H new ATOM 0 HB3 LYS A 69 -2.684 8.982 -6.194 1.00 54.12 H new ATOM 0 HG2 LYS A 69 -4.741 6.988 -5.144 1.00 1.21 H new ATOM 0 HG3 LYS A 69 -4.640 8.678 -4.690 1.00 1.21 H new ATOM 0 HD2 LYS A 69 -5.154 7.682 -7.534 1.00 65.44 H new ATOM 0 HD3 LYS A 69 -6.407 8.206 -6.426 1.00 65.44 H new ATOM 0 HE2 LYS A 69 -5.380 10.479 -6.333 1.00 51.40 H new ATOM 0 HE3 LYS A 69 -4.117 9.958 -7.429 1.00 51.40 H new ATOM 0 HZ1 LYS A 69 -5.857 11.133 -8.593 1.00 74.41 H new ATOM 0 HZ2 LYS A 69 -5.798 9.518 -9.114 1.00 74.41 H new ATOM 0 HZ3 LYS A 69 -7.023 10.024 -8.051 1.00 74.41 H new ATOM 1162 N ARG A 70 -0.255 6.676 -6.217 1.00 74.23 N ATOM 1163 CA ARG A 70 1.207 6.740 -6.283 1.00 52.30 C ATOM 1164 C ARG A 70 1.817 5.884 -5.179 1.00 14.41 C ATOM 1165 O ARG A 70 1.399 5.968 -4.021 1.00 52.13 O ATOM 1166 CB ARG A 70 1.703 8.212 -6.136 1.00 44.44 C ATOM 1167 CG ARG A 70 3.215 8.460 -6.391 1.00 2.11 C ATOM 1168 CD ARG A 70 3.617 8.348 -7.878 1.00 3.24 C ATOM 1169 NE ARG A 70 3.542 6.962 -8.392 1.00 0.54 N ATOM 1170 CZ ARG A 70 2.953 6.579 -9.545 1.00 33.45 C ATOM 1171 NH1 ARG A 70 2.365 7.464 -10.351 1.00 2.34 N ATOM 1172 NH2 ARG A 70 2.949 5.297 -9.879 1.00 34.31 N ATOM 0 H ARG A 70 -0.611 6.320 -5.330 1.00 74.23 H new ATOM 0 HA ARG A 70 1.522 6.359 -7.255 1.00 52.30 H new ATOM 0 HB2 ARG A 70 1.134 8.835 -6.826 1.00 44.44 H new ATOM 0 HB3 ARG A 70 1.466 8.553 -5.128 1.00 44.44 H new ATOM 0 HG2 ARG A 70 3.479 9.453 -6.026 1.00 2.11 H new ATOM 0 HG3 ARG A 70 3.795 7.742 -5.811 1.00 2.11 H new ATOM 0 HD2 ARG A 70 2.966 8.987 -8.474 1.00 3.24 H new ATOM 0 HD3 ARG A 70 4.633 8.722 -8.004 1.00 3.24 H new ATOM 0 HE ARG A 70 3.973 6.232 -7.825 1.00 0.54 H new ATOM 0 HH11 ARG A 70 2.354 8.453 -10.101 1.00 2.34 H new ATOM 0 HH12 ARG A 70 1.926 7.152 -11.217 1.00 2.34 H new ATOM 0 HH21 ARG A 70 3.388 4.609 -9.267 1.00 34.31 H new ATOM 0 HH22 ARG A 70 2.507 4.998 -10.748 1.00 34.31 H new ATOM 1186 N ILE A 71 2.800 5.050 -5.544 1.00 31.30 N ATOM 1187 CA ILE A 71 3.646 4.366 -4.566 1.00 64.54 C ATOM 1188 C ILE A 71 4.826 5.289 -4.239 1.00 5.21 C ATOM 1189 O ILE A 71 5.712 5.516 -5.076 1.00 23.43 O ATOM 1190 CB ILE A 71 4.168 2.975 -5.069 1.00 11.01 C ATOM 1191 CG1 ILE A 71 2.967 2.040 -5.400 1.00 62.42 C ATOM 1192 CG2 ILE A 71 5.118 2.344 -4.017 1.00 4.21 C ATOM 1193 CD1 ILE A 71 3.345 0.667 -5.912 1.00 3.32 C ATOM 0 H ILE A 71 3.027 4.834 -6.515 1.00 31.30 H new ATOM 0 HA ILE A 71 3.047 4.157 -3.679 1.00 64.54 H new ATOM 0 HB ILE A 71 4.741 3.115 -5.986 1.00 11.01 H new ATOM 0 HG12 ILE A 71 2.360 1.922 -4.502 1.00 62.42 H new ATOM 0 HG13 ILE A 71 2.340 2.529 -6.146 1.00 62.42 H new ATOM 0 HG21 ILE A 71 5.473 1.379 -4.379 1.00 4.21 H new ATOM 0 HG22 ILE A 71 5.969 3.005 -3.852 1.00 4.21 H new ATOM 0 HG23 ILE A 71 4.581 2.204 -3.079 1.00 4.21 H new ATOM 0 HD11 ILE A 71 2.441 0.092 -6.113 1.00 3.32 H new ATOM 0 HD12 ILE A 71 3.923 0.768 -6.830 1.00 3.32 H new ATOM 0 HD13 ILE A 71 3.943 0.151 -5.161 1.00 3.32 H new ATOM 1205 N THR A 72 4.784 5.852 -3.041 1.00 3.24 N ATOM 1206 CA THR A 72 5.788 6.782 -2.542 1.00 63.24 C ATOM 1207 C THR A 72 6.772 6.013 -1.643 1.00 74.43 C ATOM 1208 O THR A 72 6.371 5.473 -0.615 1.00 23.10 O ATOM 1209 CB THR A 72 5.085 7.925 -1.737 1.00 53.24 C ATOM 1210 OG1 THR A 72 4.009 8.474 -2.522 1.00 11.50 O ATOM 1211 CG2 THR A 72 6.067 9.046 -1.344 1.00 13.32 C ATOM 0 H THR A 72 4.035 5.672 -2.373 1.00 3.24 H new ATOM 0 HA THR A 72 6.336 7.229 -3.372 1.00 63.24 H new ATOM 0 HB THR A 72 4.696 7.492 -0.815 1.00 53.24 H new ATOM 0 HG1 THR A 72 3.567 9.189 -2.017 1.00 11.50 H new ATOM 0 HG21 THR A 72 5.535 9.817 -0.787 1.00 13.32 H new ATOM 0 HG22 THR A 72 6.861 8.633 -0.723 1.00 13.32 H new ATOM 0 HG23 THR A 72 6.500 9.482 -2.244 1.00 13.32 H new ATOM 1219 N ARG A 73 8.046 5.930 -2.055 1.00 31.53 N ATOM 1220 CA ARG A 73 9.117 5.382 -1.205 1.00 71.42 C ATOM 1221 C ARG A 73 9.384 6.363 -0.043 1.00 12.12 C ATOM 1222 O ARG A 73 9.199 7.581 -0.206 1.00 64.44 O ATOM 1223 CB ARG A 73 10.415 5.186 -2.036 1.00 43.34 C ATOM 1224 CG ARG A 73 11.585 4.513 -1.272 1.00 31.13 C ATOM 1225 CD ARG A 73 12.934 4.675 -1.987 1.00 75.31 C ATOM 1226 NE ARG A 73 12.901 4.223 -3.394 1.00 35.44 N ATOM 1227 CZ ARG A 73 13.732 3.322 -3.946 1.00 1.23 C ATOM 1228 NH1 ARG A 73 14.698 2.744 -3.230 1.00 23.24 N ATOM 1229 NH2 ARG A 73 13.594 2.999 -5.225 1.00 50.31 N ATOM 0 H ARG A 73 8.362 6.236 -2.975 1.00 31.53 H new ATOM 0 HA ARG A 73 8.808 4.414 -0.810 1.00 71.42 H new ATOM 0 HB2 ARG A 73 10.180 4.584 -2.914 1.00 43.34 H new ATOM 0 HB3 ARG A 73 10.748 6.159 -2.397 1.00 43.34 H new ATOM 0 HG2 ARG A 73 11.655 4.942 -0.273 1.00 31.13 H new ATOM 0 HG3 ARG A 73 11.370 3.452 -1.149 1.00 31.13 H new ATOM 0 HD2 ARG A 73 13.232 5.723 -1.955 1.00 75.31 H new ATOM 0 HD3 ARG A 73 13.695 4.110 -1.448 1.00 75.31 H new ATOM 0 HE ARG A 73 12.186 4.630 -3.998 1.00 35.44 H new ATOM 0 HH11 ARG A 73 14.816 2.983 -2.246 1.00 23.24 H new ATOM 0 HH12 ARG A 73 15.319 2.063 -3.667 1.00 23.24 H new ATOM 0 HH21 ARG A 73 12.860 3.434 -5.784 1.00 50.31 H new ATOM 0 HH22 ARG A 73 14.222 2.316 -5.649 1.00 50.31 H new ATOM 1243 N THR A 74 9.803 5.831 1.121 1.00 45.24 N ATOM 1244 CA THR A 74 10.230 6.650 2.271 1.00 70.24 C ATOM 1245 C THR A 74 11.428 7.538 1.880 1.00 14.24 C ATOM 1246 O THR A 74 12.203 7.188 0.970 1.00 73.44 O ATOM 1247 CB THR A 74 10.619 5.751 3.499 1.00 2.21 C ATOM 1248 OG1 THR A 74 11.043 6.566 4.599 1.00 23.40 O ATOM 1249 CG2 THR A 74 11.729 4.734 3.162 1.00 22.01 C ATOM 0 H THR A 74 9.855 4.826 1.290 1.00 45.24 H new ATOM 0 HA THR A 74 9.389 7.281 2.559 1.00 70.24 H new ATOM 0 HB THR A 74 9.725 5.190 3.770 1.00 2.21 H new ATOM 0 HG1 THR A 74 11.281 5.993 5.358 1.00 23.40 H new ATOM 0 HG21 THR A 74 11.958 4.139 4.046 1.00 22.01 H new ATOM 0 HG22 THR A 74 11.390 4.077 2.361 1.00 22.01 H new ATOM 0 HG23 THR A 74 12.624 5.266 2.840 1.00 22.01 H new