USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 651 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 11 ASN : amide:sc= 1.32 K(o=2.5,f=-0.21) USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.0633 X(o=2.5,f=2.4) USER MOD Set 1.3: A 70 TYR OH : rot -6:sc= 1.2 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 30 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.161 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 174:sc= -0.248 (180deg=-0.337) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= 1.04 (180deg=0.897) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -15:sc= 1.23 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 155:sc= -1.86 (180deg=-2.09!) USER MOD Single : A 52 LYS NZ :NH3+ -116:sc= -0.0766 (180deg=-0.677) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0.745 (180deg=0.732) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -171:sc= 0 (180deg=-0.0606) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.843 K(o=-0.84,f=-3!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.029 7.450 1.887 1.00 72.32 N ATOM 2 CA GLY A 1 -18.537 7.294 0.510 1.00 32.23 C ATOM 3 C GLY A 1 -17.731 6.015 0.398 1.00 24.22 C ATOM 4 O GLY A 1 -17.574 5.292 1.383 1.00 74.00 O ATOM 0 H1 GLY A 1 -20.049 7.650 1.870 1.00 72.32 H new ATOM 0 H2 GLY A 1 -18.857 6.573 2.419 1.00 72.32 H new ATOM 0 H3 GLY A 1 -18.529 8.237 2.347 1.00 72.32 H new ATOM 0 HA2 GLY A 1 -19.376 7.269 -0.186 1.00 32.23 H new ATOM 0 HA3 GLY A 1 -17.920 8.149 0.235 1.00 32.23 H new ATOM 8 N MET A 2 -17.195 5.709 -0.785 1.00 43.43 N ATOM 9 CA MET A 2 -16.282 4.582 -0.968 1.00 12.12 C ATOM 10 C MET A 2 -14.848 4.919 -0.556 1.00 10.41 C ATOM 11 O MET A 2 -14.034 4.004 -0.425 1.00 45.10 O ATOM 12 CB MET A 2 -16.343 4.038 -2.400 1.00 62.12 C ATOM 13 CG MET A 2 -16.072 5.037 -3.525 1.00 63.12 C ATOM 14 SD MET A 2 -17.556 5.901 -4.104 1.00 52.30 S ATOM 15 CE MET A 2 -17.083 6.073 -5.841 1.00 14.21 C ATOM 0 H MET A 2 -17.381 6.234 -1.639 1.00 43.43 H new ATOM 0 HA MET A 2 -16.621 3.792 -0.298 1.00 12.12 H new ATOM 0 HB2 MET A 2 -15.623 3.225 -2.486 1.00 62.12 H new ATOM 0 HB3 MET A 2 -17.331 3.607 -2.559 1.00 62.12 H new ATOM 0 HG2 MET A 2 -15.346 5.772 -3.179 1.00 63.12 H new ATOM 0 HG3 MET A 2 -15.618 4.511 -4.365 1.00 63.12 H new ATOM 0 HE1 MET A 2 -17.875 6.589 -6.384 1.00 14.21 H new ATOM 0 HE2 MET A 2 -16.160 6.649 -5.912 1.00 14.21 H new ATOM 0 HE3 MET A 2 -16.928 5.085 -6.276 1.00 14.21 H new ATOM 25 N GLN A 3 -14.544 6.194 -0.290 1.00 1.22 N ATOM 26 CA GLN A 3 -13.239 6.719 0.113 1.00 30.01 C ATOM 27 C GLN A 3 -12.700 6.126 1.426 1.00 33.01 C ATOM 28 O GLN A 3 -11.657 6.582 1.861 1.00 25.24 O ATOM 29 CB GLN A 3 -13.318 8.264 0.198 1.00 14.44 C ATOM 30 CG GLN A 3 -12.194 9.021 -0.533 1.00 41.54 C ATOM 31 CD GLN A 3 -10.947 9.221 0.325 1.00 70.43 C ATOM 32 OE1 GLN A 3 -10.973 9.969 1.294 1.00 52.31 O ATOM 33 NE2 GLN A 3 -9.834 8.598 -0.016 1.00 65.32 N ATOM 0 H GLN A 3 -15.247 6.930 -0.355 1.00 1.22 H new ATOM 0 HA GLN A 3 -12.524 6.414 -0.651 1.00 30.01 H new ATOM 0 HB2 GLN A 3 -14.276 8.586 -0.211 1.00 14.44 H new ATOM 0 HB3 GLN A 3 -13.306 8.555 1.248 1.00 14.44 H new ATOM 0 HG2 GLN A 3 -11.922 8.473 -1.435 1.00 41.54 H new ATOM 0 HG3 GLN A 3 -12.568 9.994 -0.852 1.00 41.54 H new ATOM 0 HE21 GLN A 3 -9.824 7.977 -0.825 1.00 65.32 H new ATOM 0 HE22 GLN A 3 -8.984 8.737 0.530 1.00 65.32 H new ATOM 42 N PHE A 4 -13.362 5.143 2.059 1.00 44.31 N ATOM 43 CA PHE A 4 -12.948 4.521 3.320 1.00 44.51 C ATOM 44 C PHE A 4 -12.875 3.004 3.235 1.00 24.21 C ATOM 45 O PHE A 4 -11.869 2.400 3.594 1.00 41.54 O ATOM 46 CB PHE A 4 -13.845 4.987 4.462 1.00 11.52 C ATOM 47 CG PHE A 4 -13.129 5.853 5.482 1.00 51.51 C ATOM 48 CD1 PHE A 4 -12.545 7.071 5.081 1.00 53.50 C ATOM 49 CD2 PHE A 4 -13.023 5.442 6.821 1.00 14.54 C ATOM 50 CE1 PHE A 4 -11.846 7.863 6.003 1.00 14.42 C ATOM 51 CE2 PHE A 4 -12.347 6.250 7.750 1.00 10.51 C ATOM 52 CZ PHE A 4 -11.756 7.458 7.343 1.00 12.25 C ATOM 0 H PHE A 4 -14.228 4.749 1.692 1.00 44.31 H new ATOM 0 HA PHE A 4 -11.930 4.852 3.527 1.00 44.51 H new ATOM 0 HB2 PHE A 4 -14.685 5.546 4.049 1.00 11.52 H new ATOM 0 HB3 PHE A 4 -14.260 4.114 4.966 1.00 11.52 H new ATOM 0 HD1 PHE A 4 -12.636 7.397 4.055 1.00 53.50 H new ATOM 0 HD2 PHE A 4 -13.461 4.506 7.136 1.00 14.54 H new ATOM 0 HE1 PHE A 4 -11.378 8.782 5.682 1.00 14.42 H new ATOM 0 HE2 PHE A 4 -12.281 5.941 8.783 1.00 10.51 H new ATOM 0 HZ PHE A 4 -11.234 8.073 8.060 1.00 12.25 H new ATOM 62 N LYS A 5 -13.883 2.339 2.680 1.00 3.25 N ATOM 63 CA LYS A 5 -13.722 0.917 2.369 1.00 3.31 C ATOM 64 C LYS A 5 -12.549 0.712 1.409 1.00 25.24 C ATOM 65 O LYS A 5 -11.833 -0.271 1.540 1.00 50.32 O ATOM 66 CB LYS A 5 -15.024 0.290 1.856 1.00 11.54 C ATOM 67 CG LYS A 5 -15.935 -0.117 3.026 1.00 25.11 C ATOM 68 CD LYS A 5 -15.377 -1.333 3.798 1.00 13.33 C ATOM 69 CE LYS A 5 -15.114 -1.010 5.278 1.00 32.42 C ATOM 70 NZ LYS A 5 -16.127 -1.624 6.168 1.00 43.21 N ATOM 0 H LYS A 5 -14.790 2.740 2.442 1.00 3.25 H new ATOM 0 HA LYS A 5 -13.485 0.389 3.293 1.00 3.31 H new ATOM 0 HB2 LYS A 5 -15.546 0.999 1.213 1.00 11.54 H new ATOM 0 HB3 LYS A 5 -14.796 -0.584 1.246 1.00 11.54 H new ATOM 0 HG2 LYS A 5 -16.047 0.726 3.708 1.00 25.11 H new ATOM 0 HG3 LYS A 5 -16.929 -0.354 2.646 1.00 25.11 H new ATOM 0 HD2 LYS A 5 -16.083 -2.161 3.728 1.00 13.33 H new ATOM 0 HD3 LYS A 5 -14.450 -1.664 3.330 1.00 13.33 H new ATOM 0 HE2 LYS A 5 -14.123 -1.367 5.556 1.00 32.42 H new ATOM 0 HE3 LYS A 5 -15.115 0.071 5.419 1.00 32.42 H new ATOM 0 HZ1 LYS A 5 -15.913 -1.382 7.157 1.00 43.21 H new ATOM 0 HZ2 LYS A 5 -17.071 -1.264 5.920 1.00 43.21 H new ATOM 0 HZ3 LYS A 5 -16.109 -2.657 6.053 1.00 43.21 H new ATOM 84 N ALA A 6 -12.279 1.663 0.512 1.00 44.12 N ATOM 85 CA ALA A 6 -11.125 1.598 -0.367 1.00 24.35 C ATOM 86 C ALA A 6 -9.820 1.979 0.333 1.00 14.11 C ATOM 87 O ALA A 6 -8.780 1.525 -0.127 1.00 41.24 O ATOM 88 CB ALA A 6 -11.342 2.531 -1.561 1.00 62.13 C ATOM 0 H ALA A 6 -12.856 2.494 0.380 1.00 44.12 H new ATOM 0 HA ALA A 6 -11.030 0.562 -0.692 1.00 24.35 H new ATOM 0 HB1 ALA A 6 -10.477 2.483 -2.222 1.00 62.13 H new ATOM 0 HB2 ALA A 6 -12.233 2.222 -2.107 1.00 62.13 H new ATOM 0 HB3 ALA A 6 -11.471 3.553 -1.205 1.00 62.13 H new ATOM 94 N GLU A 7 -9.849 2.832 1.368 1.00 74.11 N ATOM 95 CA GLU A 7 -8.665 3.520 1.902 1.00 52.33 C ATOM 96 C GLU A 7 -7.643 2.502 2.392 1.00 12.51 C ATOM 97 O GLU A 7 -6.550 2.372 1.836 1.00 44.53 O ATOM 98 CB GLU A 7 -9.083 4.607 2.944 1.00 71.03 C ATOM 99 CG GLU A 7 -9.435 4.208 4.390 1.00 63.21 C ATOM 100 CD GLU A 7 -8.331 4.177 5.447 1.00 63.43 C ATOM 101 OE1 GLU A 7 -7.130 4.209 5.096 1.00 34.01 O ATOM 102 OE2 GLU A 7 -8.690 4.019 6.636 1.00 42.20 O ATOM 0 H GLU A 7 -10.709 3.066 1.865 1.00 74.11 H new ATOM 0 HA GLU A 7 -8.158 4.076 1.114 1.00 52.33 H new ATOM 0 HB2 GLU A 7 -8.269 5.330 2.999 1.00 71.03 H new ATOM 0 HB3 GLU A 7 -9.947 5.130 2.535 1.00 71.03 H new ATOM 0 HG2 GLU A 7 -10.205 4.894 4.741 1.00 63.21 H new ATOM 0 HG3 GLU A 7 -9.884 3.215 4.356 1.00 63.21 H new ATOM 109 N ALA A 8 -8.051 1.686 3.356 1.00 4.21 N ATOM 110 CA ALA A 8 -7.111 0.805 4.015 1.00 34.42 C ATOM 111 C ALA A 8 -6.929 -0.468 3.214 1.00 74.24 C ATOM 112 O ALA A 8 -5.929 -1.148 3.406 1.00 41.42 O ATOM 113 CB ALA A 8 -7.526 0.526 5.456 1.00 1.32 C ATOM 0 H ALA A 8 -9.012 1.620 3.691 1.00 4.21 H new ATOM 0 HA ALA A 8 -6.144 1.305 4.063 1.00 34.42 H new ATOM 0 HB1 ALA A 8 -6.799 -0.139 5.922 1.00 1.32 H new ATOM 0 HB2 ALA A 8 -7.568 1.463 6.010 1.00 1.32 H new ATOM 0 HB3 ALA A 8 -8.508 0.054 5.467 1.00 1.32 H new ATOM 119 N ARG A 9 -7.846 -0.804 2.297 1.00 51.24 N ATOM 120 CA ARG A 9 -7.604 -1.894 1.358 1.00 10.34 C ATOM 121 C ARG A 9 -6.495 -1.489 0.400 1.00 52.13 C ATOM 122 O ARG A 9 -5.615 -2.299 0.140 1.00 44.10 O ATOM 123 CB ARG A 9 -8.895 -2.273 0.615 1.00 3.25 C ATOM 124 CG ARG A 9 -8.761 -3.583 -0.184 1.00 42.50 C ATOM 125 CD ARG A 9 -8.340 -4.809 0.638 1.00 43.33 C ATOM 126 NE ARG A 9 -9.125 -4.990 1.873 1.00 44.44 N ATOM 127 CZ ARG A 9 -9.299 -6.157 2.508 1.00 41.50 C ATOM 128 NH1 ARG A 9 -8.613 -7.243 2.173 1.00 22.02 N ATOM 129 NH2 ARG A 9 -10.132 -6.239 3.538 1.00 64.20 N ATOM 0 H ARG A 9 -8.748 -0.341 2.190 1.00 51.24 H new ATOM 0 HA ARG A 9 -7.284 -2.782 1.902 1.00 10.34 H new ATOM 0 HB2 ARG A 9 -9.707 -2.373 1.335 1.00 3.25 H new ATOM 0 HB3 ARG A 9 -9.169 -1.465 -0.064 1.00 3.25 H new ATOM 0 HG2 ARG A 9 -9.716 -3.797 -0.663 1.00 42.50 H new ATOM 0 HG3 ARG A 9 -8.032 -3.431 -0.980 1.00 42.50 H new ATOM 0 HD2 ARG A 9 -8.439 -5.702 0.020 1.00 43.33 H new ATOM 0 HD3 ARG A 9 -7.285 -4.717 0.898 1.00 43.33 H new ATOM 0 HE ARG A 9 -9.569 -4.164 2.274 1.00 44.44 H new ATOM 0 HH11 ARG A 9 -7.932 -7.202 1.414 1.00 22.02 H new ATOM 0 HH12 ARG A 9 -8.766 -8.118 2.674 1.00 22.02 H new ATOM 0 HH21 ARG A 9 -10.642 -5.412 3.848 1.00 64.20 H new ATOM 0 HH22 ARG A 9 -10.262 -7.129 4.019 1.00 64.20 H new ATOM 143 N ARG A 10 -6.524 -0.262 -0.138 1.00 72.43 N ATOM 144 CA ARG A 10 -5.492 0.280 -1.021 1.00 65.34 C ATOM 145 C ARG A 10 -4.165 0.229 -0.263 1.00 4.13 C ATOM 146 O ARG A 10 -3.235 -0.436 -0.716 1.00 33.14 O ATOM 147 CB ARG A 10 -5.913 1.697 -1.478 1.00 22.45 C ATOM 148 CG ARG A 10 -4.999 2.250 -2.600 1.00 42.42 C ATOM 149 CD ARG A 10 -4.554 3.703 -2.380 1.00 61.31 C ATOM 150 NE ARG A 10 -5.658 4.594 -1.994 1.00 63.42 N ATOM 151 CZ ARG A 10 -5.806 5.898 -2.284 1.00 65.22 C ATOM 152 NH1 ARG A 10 -5.141 6.486 -3.272 1.00 10.53 N ATOM 153 NH2 ARG A 10 -6.673 6.620 -1.590 1.00 23.33 N ATOM 0 H ARG A 10 -7.286 0.394 0.035 1.00 72.43 H new ATOM 0 HA ARG A 10 -5.367 -0.301 -1.934 1.00 65.34 H new ATOM 0 HB2 ARG A 10 -6.944 1.671 -1.832 1.00 22.45 H new ATOM 0 HB3 ARG A 10 -5.887 2.374 -0.624 1.00 22.45 H new ATOM 0 HG2 ARG A 10 -4.115 1.618 -2.680 1.00 42.42 H new ATOM 0 HG3 ARG A 10 -5.526 2.182 -3.551 1.00 42.42 H new ATOM 0 HD2 ARG A 10 -3.787 3.728 -1.606 1.00 61.31 H new ATOM 0 HD3 ARG A 10 -4.095 4.078 -3.295 1.00 61.31 H new ATOM 0 HE ARG A 10 -6.402 4.171 -1.439 1.00 63.42 H new ATOM 0 HH11 ARG A 10 -4.491 5.945 -3.842 1.00 10.53 H new ATOM 0 HH12 ARG A 10 -5.281 7.479 -3.461 1.00 10.53 H new ATOM 0 HH21 ARG A 10 -7.218 6.185 -0.846 1.00 23.33 H new ATOM 0 HH22 ARG A 10 -6.795 7.611 -1.800 1.00 23.33 H new ATOM 167 N ASN A 11 -4.083 0.868 0.905 1.00 71.14 N ATOM 168 CA ASN A 11 -2.827 0.983 1.649 1.00 31.05 C ATOM 169 C ASN A 11 -2.305 -0.397 2.075 1.00 53.10 C ATOM 170 O ASN A 11 -1.134 -0.711 1.862 1.00 33.42 O ATOM 171 CB ASN A 11 -3.000 1.958 2.831 1.00 42.50 C ATOM 172 CG ASN A 11 -3.149 3.416 2.382 1.00 22.44 C ATOM 173 OD1 ASN A 11 -3.088 3.725 1.193 1.00 32.21 O ATOM 174 ND2 ASN A 11 -3.370 4.344 3.292 1.00 70.02 N ATOM 0 H ASN A 11 -4.878 1.317 1.359 1.00 71.14 H new ATOM 0 HA ASN A 11 -2.061 1.402 0.997 1.00 31.05 H new ATOM 0 HB2 ASN A 11 -3.878 1.669 3.409 1.00 42.50 H new ATOM 0 HB3 ASN A 11 -2.140 1.873 3.495 1.00 42.50 H new ATOM 0 HD21 ASN A 11 -3.490 5.317 3.010 1.00 70.02 H new ATOM 0 HD22 ASN A 11 -3.421 4.089 4.278 1.00 70.02 H new ATOM 181 N LYS A 12 -3.166 -1.276 2.609 1.00 65.34 N ATOM 182 CA LYS A 12 -2.786 -2.650 2.966 1.00 10.34 C ATOM 183 C LYS A 12 -2.239 -3.413 1.759 1.00 63.21 C ATOM 184 O LYS A 12 -1.147 -3.967 1.864 1.00 14.24 O ATOM 185 CB LYS A 12 -3.975 -3.386 3.602 1.00 12.25 C ATOM 186 CG LYS A 12 -3.608 -4.761 4.170 1.00 32.13 C ATOM 187 CD LYS A 12 -4.864 -5.495 4.649 1.00 3.43 C ATOM 188 CE LYS A 12 -4.521 -6.867 5.236 1.00 11.14 C ATOM 189 NZ LYS A 12 -3.920 -6.786 6.583 1.00 31.21 N ATOM 0 H LYS A 12 -4.142 -1.055 2.805 1.00 65.34 H new ATOM 0 HA LYS A 12 -1.983 -2.599 3.701 1.00 10.34 H new ATOM 0 HB2 LYS A 12 -4.389 -2.770 4.401 1.00 12.25 H new ATOM 0 HB3 LYS A 12 -4.759 -3.508 2.855 1.00 12.25 H new ATOM 0 HG2 LYS A 12 -3.102 -5.353 3.407 1.00 32.13 H new ATOM 0 HG3 LYS A 12 -2.909 -4.644 4.998 1.00 32.13 H new ATOM 0 HD2 LYS A 12 -5.374 -4.893 5.401 1.00 3.43 H new ATOM 0 HD3 LYS A 12 -5.556 -5.617 3.816 1.00 3.43 H new ATOM 0 HE2 LYS A 12 -5.427 -7.472 5.284 1.00 11.14 H new ATOM 0 HE3 LYS A 12 -3.830 -7.380 4.567 1.00 11.14 H new ATOM 0 HZ1 LYS A 12 -3.710 -7.744 6.928 1.00 31.21 H new ATOM 0 HZ2 LYS A 12 -3.040 -6.234 6.538 1.00 31.21 H new ATOM 0 HZ3 LYS A 12 -4.587 -6.323 7.233 1.00 31.21 H new ATOM 203 N LEU A 13 -2.950 -3.432 0.622 1.00 33.42 N ATOM 204 CA LEU A 13 -2.515 -4.143 -0.580 1.00 64.02 C ATOM 205 C LEU A 13 -1.098 -3.741 -0.973 1.00 0.52 C ATOM 206 O LEU A 13 -0.292 -4.615 -1.287 1.00 41.44 O ATOM 207 CB LEU A 13 -3.437 -3.864 -1.776 1.00 11.52 C ATOM 208 CG LEU A 13 -4.678 -4.750 -1.879 1.00 71.34 C ATOM 209 CD1 LEU A 13 -5.599 -4.114 -2.933 1.00 2.41 C ATOM 210 CD2 LEU A 13 -4.253 -6.163 -2.305 1.00 0.33 C ATOM 0 H LEU A 13 -3.844 -2.953 0.514 1.00 33.42 H new ATOM 0 HA LEU A 13 -2.551 -5.205 -0.335 1.00 64.02 H new ATOM 0 HB2 LEU A 13 -3.759 -2.824 -1.728 1.00 11.52 H new ATOM 0 HB3 LEU A 13 -2.857 -3.976 -2.692 1.00 11.52 H new ATOM 0 HG LEU A 13 -5.200 -4.828 -0.925 1.00 71.34 H new ATOM 0 HD11 LEU A 13 -6.501 -4.717 -3.039 1.00 2.41 H new ATOM 0 HD12 LEU A 13 -5.871 -3.106 -2.618 1.00 2.41 H new ATOM 0 HD13 LEU A 13 -5.079 -4.067 -3.890 1.00 2.41 H new ATOM 0 HD21 LEU A 13 -5.134 -6.801 -2.380 1.00 0.33 H new ATOM 0 HD22 LEU A 13 -3.755 -6.117 -3.273 1.00 0.33 H new ATOM 0 HD23 LEU A 13 -3.569 -6.576 -1.564 1.00 0.33 H new ATOM 222 N MET A 14 -0.794 -2.437 -0.979 1.00 45.20 N ATOM 223 CA MET A 14 0.534 -1.954 -1.314 1.00 51.43 C ATOM 224 C MET A 14 1.567 -2.573 -0.377 1.00 11.14 C ATOM 225 O MET A 14 2.604 -3.051 -0.831 1.00 32.25 O ATOM 226 CB MET A 14 0.527 -0.428 -1.222 1.00 74.23 C ATOM 227 CG MET A 14 1.854 0.194 -1.653 1.00 31.35 C ATOM 228 SD MET A 14 2.308 -0.143 -3.371 1.00 50.10 S ATOM 229 CE MET A 14 3.765 0.923 -3.425 1.00 50.11 C ATOM 0 H MET A 14 -1.461 -1.700 -0.753 1.00 45.20 H new ATOM 0 HA MET A 14 0.805 -2.245 -2.329 1.00 51.43 H new ATOM 0 HB2 MET A 14 -0.274 -0.034 -1.847 1.00 74.23 H new ATOM 0 HB3 MET A 14 0.307 -0.131 -0.197 1.00 74.23 H new ATOM 0 HG2 MET A 14 1.801 1.273 -1.508 1.00 31.35 H new ATOM 0 HG3 MET A 14 2.645 -0.176 -1.001 1.00 31.35 H new ATOM 0 HE1 MET A 14 4.278 0.790 -4.378 1.00 50.11 H new ATOM 0 HE2 MET A 14 3.459 1.964 -3.320 1.00 50.11 H new ATOM 0 HE3 MET A 14 4.439 0.659 -2.610 1.00 50.11 H new ATOM 239 N GLY A 15 1.261 -2.636 0.920 1.00 4.51 N ATOM 240 CA GLY A 15 2.090 -3.305 1.906 1.00 43.14 C ATOM 241 C GLY A 15 2.418 -4.746 1.523 1.00 72.20 C ATOM 242 O GLY A 15 3.583 -5.111 1.616 1.00 41.42 O ATOM 0 H GLY A 15 0.419 -2.216 1.313 1.00 4.51 H new ATOM 0 HA2 GLY A 15 3.018 -2.747 2.033 1.00 43.14 H new ATOM 0 HA3 GLY A 15 1.579 -3.297 2.869 1.00 43.14 H new ATOM 246 N LEU A 16 1.456 -5.561 1.065 1.00 12.54 N ATOM 247 CA LEU A 16 1.735 -6.941 0.672 1.00 3.44 C ATOM 248 C LEU A 16 2.689 -6.989 -0.520 1.00 43.13 C ATOM 249 O LEU A 16 3.566 -7.855 -0.563 1.00 4.32 O ATOM 250 CB LEU A 16 0.452 -7.711 0.302 1.00 74.21 C ATOM 251 CG LEU A 16 -0.408 -8.280 1.448 1.00 61.21 C ATOM 252 CD1 LEU A 16 0.393 -8.983 2.551 1.00 12.42 C ATOM 253 CD2 LEU A 16 -1.294 -7.203 2.067 1.00 5.25 C ATOM 0 H LEU A 16 0.480 -5.284 0.959 1.00 12.54 H new ATOM 0 HA LEU A 16 2.195 -7.417 1.538 1.00 3.44 H new ATOM 0 HB2 LEU A 16 -0.178 -7.046 -0.289 1.00 74.21 H new ATOM 0 HB3 LEU A 16 0.736 -8.540 -0.346 1.00 74.21 H new ATOM 0 HG LEU A 16 -1.026 -9.043 0.976 1.00 61.21 H new ATOM 0 HD11 LEU A 16 -0.289 -9.353 3.317 1.00 12.42 H new ATOM 0 HD12 LEU A 16 0.946 -9.819 2.123 1.00 12.42 H new ATOM 0 HD13 LEU A 16 1.093 -8.277 2.999 1.00 12.42 H new ATOM 0 HD21 LEU A 16 -1.887 -7.638 2.872 1.00 5.25 H new ATOM 0 HD22 LEU A 16 -0.670 -6.404 2.467 1.00 5.25 H new ATOM 0 HD23 LEU A 16 -1.959 -6.797 1.305 1.00 5.25 H new ATOM 265 N TRP A 17 2.526 -6.089 -1.496 1.00 41.12 N ATOM 266 CA TRP A 17 3.429 -6.018 -2.640 1.00 55.22 C ATOM 267 C TRP A 17 4.842 -5.672 -2.168 1.00 31.32 C ATOM 268 O TRP A 17 5.769 -6.437 -2.436 1.00 0.32 O ATOM 269 CB TRP A 17 2.917 -5.033 -3.703 1.00 23.25 C ATOM 270 CG TRP A 17 3.859 -4.888 -4.861 1.00 23.22 C ATOM 271 CD1 TRP A 17 4.084 -5.836 -5.796 1.00 53.00 C ATOM 272 CD2 TRP A 17 4.788 -3.798 -5.171 1.00 71.40 C ATOM 273 NE1 TRP A 17 5.091 -5.415 -6.641 1.00 20.35 N ATOM 274 CE2 TRP A 17 5.583 -4.180 -6.292 1.00 2.04 C ATOM 275 CE3 TRP A 17 5.034 -2.523 -4.623 1.00 2.14 C ATOM 276 CZ2 TRP A 17 6.604 -3.367 -6.812 1.00 32.51 C ATOM 277 CZ3 TRP A 17 6.049 -1.690 -5.133 1.00 62.54 C ATOM 278 CH2 TRP A 17 6.834 -2.113 -6.225 1.00 34.51 C ATOM 0 H TRP A 17 1.774 -5.400 -1.512 1.00 41.12 H new ATOM 0 HA TRP A 17 3.463 -6.996 -3.119 1.00 55.22 H new ATOM 0 HB2 TRP A 17 1.948 -5.372 -4.069 1.00 23.25 H new ATOM 0 HB3 TRP A 17 2.761 -4.057 -3.243 1.00 23.25 H new ATOM 0 HD1 TRP A 17 3.558 -6.776 -5.871 1.00 53.00 H new ATOM 0 HE1 TRP A 17 5.431 -5.959 -7.434 1.00 20.35 H new ATOM 0 HE3 TRP A 17 4.432 -2.178 -3.795 1.00 2.14 H new ATOM 0 HZ2 TRP A 17 7.201 -3.701 -7.648 1.00 32.51 H new ATOM 0 HZ3 TRP A 17 6.227 -0.723 -4.686 1.00 62.54 H new ATOM 0 HH2 TRP A 17 7.613 -1.472 -6.610 1.00 34.51 H new ATOM 289 N VAL A 18 5.004 -4.560 -1.444 1.00 0.02 N ATOM 290 CA VAL A 18 6.291 -4.079 -0.942 1.00 40.01 C ATOM 291 C VAL A 18 6.959 -5.161 -0.091 1.00 63.24 C ATOM 292 O VAL A 18 8.147 -5.418 -0.268 1.00 14.22 O ATOM 293 CB VAL A 18 6.098 -2.757 -0.170 1.00 1.45 C ATOM 294 CG1 VAL A 18 7.384 -2.261 0.509 1.00 63.52 C ATOM 295 CG2 VAL A 18 5.610 -1.638 -1.102 1.00 5.23 C ATOM 0 H VAL A 18 4.224 -3.956 -1.186 1.00 0.02 H new ATOM 0 HA VAL A 18 6.957 -3.869 -1.779 1.00 40.01 H new ATOM 0 HB VAL A 18 5.356 -2.981 0.596 1.00 1.45 H new ATOM 0 HG11 VAL A 18 7.181 -1.328 1.035 1.00 63.52 H new ATOM 0 HG12 VAL A 18 7.732 -3.010 1.220 1.00 63.52 H new ATOM 0 HG13 VAL A 18 8.152 -2.093 -0.246 1.00 63.52 H new ATOM 0 HG21 VAL A 18 5.483 -0.718 -0.531 1.00 5.23 H new ATOM 0 HG22 VAL A 18 6.344 -1.476 -1.892 1.00 5.23 H new ATOM 0 HG23 VAL A 18 4.657 -1.924 -1.546 1.00 5.23 H new ATOM 305 N ALA A 19 6.202 -5.838 0.775 1.00 44.44 N ATOM 306 CA ALA A 19 6.702 -6.923 1.599 1.00 73.42 C ATOM 307 C ALA A 19 7.358 -8.009 0.745 1.00 60.10 C ATOM 308 O ALA A 19 8.470 -8.442 1.045 1.00 40.41 O ATOM 309 CB ALA A 19 5.552 -7.463 2.453 1.00 22.52 C ATOM 0 H ALA A 19 5.212 -5.640 0.920 1.00 44.44 H new ATOM 0 HA ALA A 19 7.483 -6.554 2.264 1.00 73.42 H new ATOM 0 HB1 ALA A 19 5.915 -8.280 3.077 1.00 22.52 H new ATOM 0 HB2 ALA A 19 5.164 -6.666 3.087 1.00 22.52 H new ATOM 0 HB3 ALA A 19 4.757 -7.829 1.803 1.00 22.52 H new ATOM 315 N GLU A 20 6.712 -8.442 -0.337 1.00 44.14 N ATOM 316 CA GLU A 20 7.300 -9.432 -1.218 1.00 33.15 C ATOM 317 C GLU A 20 8.525 -8.865 -1.941 1.00 72.11 C ATOM 318 O GLU A 20 9.487 -9.607 -2.120 1.00 62.52 O ATOM 319 CB GLU A 20 6.213 -9.970 -2.148 1.00 1.03 C ATOM 320 CG GLU A 20 6.777 -10.876 -3.245 1.00 33.15 C ATOM 321 CD GLU A 20 5.750 -11.892 -3.744 1.00 44.22 C ATOM 322 OE1 GLU A 20 4.954 -11.562 -4.659 1.00 31.44 O ATOM 323 OE2 GLU A 20 5.709 -13.008 -3.175 1.00 4.42 O ATOM 0 H GLU A 20 5.786 -8.120 -0.618 1.00 44.14 H new ATOM 0 HA GLU A 20 7.682 -10.278 -0.647 1.00 33.15 H new ATOM 0 HB2 GLU A 20 5.481 -10.526 -1.563 1.00 1.03 H new ATOM 0 HB3 GLU A 20 5.685 -9.134 -2.607 1.00 1.03 H new ATOM 0 HG2 GLU A 20 7.114 -10.263 -4.081 1.00 33.15 H new ATOM 0 HG3 GLU A 20 7.651 -11.404 -2.863 1.00 33.15 H new ATOM 330 N VAL A 21 8.558 -7.574 -2.289 1.00 52.40 N ATOM 331 CA VAL A 21 9.764 -6.950 -2.840 1.00 20.23 C ATOM 332 C VAL A 21 10.914 -7.005 -1.810 1.00 14.12 C ATOM 333 O VAL A 21 12.058 -7.243 -2.203 1.00 15.23 O ATOM 334 CB VAL A 21 9.464 -5.525 -3.364 1.00 54.24 C ATOM 335 CG1 VAL A 21 10.707 -4.870 -3.972 1.00 24.13 C ATOM 336 CG2 VAL A 21 8.405 -5.519 -4.477 1.00 20.51 C ATOM 0 H VAL A 21 7.763 -6.942 -2.198 1.00 52.40 H new ATOM 0 HA VAL A 21 10.100 -7.517 -3.708 1.00 20.23 H new ATOM 0 HB VAL A 21 9.111 -4.979 -2.489 1.00 54.24 H new ATOM 0 HG11 VAL A 21 10.455 -3.871 -4.328 1.00 24.13 H new ATOM 0 HG12 VAL A 21 11.488 -4.799 -3.215 1.00 24.13 H new ATOM 0 HG13 VAL A 21 11.065 -5.473 -4.807 1.00 24.13 H new ATOM 0 HG21 VAL A 21 8.232 -4.495 -4.809 1.00 20.51 H new ATOM 0 HG22 VAL A 21 8.756 -6.118 -5.317 1.00 20.51 H new ATOM 0 HG23 VAL A 21 7.474 -5.939 -4.096 1.00 20.51 H new ATOM 346 N LEU A 22 10.634 -6.846 -0.507 1.00 53.11 N ATOM 347 CA LEU A 22 11.613 -7.004 0.570 1.00 4.35 C ATOM 348 C LEU A 22 12.045 -8.459 0.786 1.00 1.33 C ATOM 349 O LEU A 22 13.116 -8.674 1.351 1.00 62.23 O ATOM 350 CB LEU A 22 11.052 -6.434 1.892 1.00 11.41 C ATOM 351 CG LEU A 22 11.509 -4.990 2.162 1.00 62.42 C ATOM 352 CD1 LEU A 22 11.048 -4.028 1.066 1.00 54.21 C ATOM 353 CD2 LEU A 22 11.001 -4.486 3.519 1.00 72.23 C ATOM 0 H LEU A 22 9.703 -6.600 -0.171 1.00 53.11 H new ATOM 0 HA LEU A 22 12.498 -6.447 0.262 1.00 4.35 H new ATOM 0 HB2 LEU A 22 9.963 -6.466 1.862 1.00 11.41 H new ATOM 0 HB3 LEU A 22 11.367 -7.070 2.719 1.00 11.41 H new ATOM 0 HG LEU A 22 12.599 -5.012 2.171 1.00 62.42 H new ATOM 0 HD11 LEU A 22 11.393 -3.020 1.298 1.00 54.21 H new ATOM 0 HD12 LEU A 22 11.463 -4.342 0.108 1.00 54.21 H new ATOM 0 HD13 LEU A 22 9.959 -4.035 1.010 1.00 54.21 H new ATOM 0 HD21 LEU A 22 11.342 -3.463 3.678 1.00 72.23 H new ATOM 0 HD22 LEU A 22 9.911 -4.512 3.532 1.00 72.23 H new ATOM 0 HD23 LEU A 22 11.388 -5.125 4.313 1.00 72.23 H new ATOM 365 N GLY A 23 11.265 -9.451 0.353 1.00 34.45 N ATOM 366 CA GLY A 23 11.510 -10.861 0.659 1.00 44.11 C ATOM 367 C GLY A 23 10.795 -11.310 1.936 1.00 12.13 C ATOM 368 O GLY A 23 11.085 -12.381 2.475 1.00 14.01 O ATOM 0 H GLY A 23 10.439 -9.297 -0.225 1.00 34.45 H new ATOM 0 HA2 GLY A 23 11.176 -11.475 -0.177 1.00 44.11 H new ATOM 0 HA3 GLY A 23 12.582 -11.026 0.768 1.00 44.11 H new ATOM 372 N LYS A 24 9.853 -10.518 2.458 1.00 2.43 N ATOM 373 CA LYS A 24 8.970 -10.966 3.530 1.00 60.20 C ATOM 374 C LYS A 24 8.062 -12.073 3.005 1.00 61.11 C ATOM 375 O LYS A 24 7.846 -12.215 1.790 1.00 14.43 O ATOM 376 CB LYS A 24 8.135 -9.794 4.055 1.00 43.32 C ATOM 377 CG LYS A 24 8.942 -8.774 4.871 1.00 65.30 C ATOM 378 CD LYS A 24 8.021 -7.663 5.394 1.00 73.14 C ATOM 379 CE LYS A 24 8.711 -6.785 6.446 1.00 11.53 C ATOM 380 NZ LYS A 24 8.908 -7.457 7.752 1.00 30.24 N ATOM 0 H LYS A 24 9.685 -9.560 2.151 1.00 2.43 H new ATOM 0 HA LYS A 24 9.569 -11.353 4.354 1.00 60.20 H new ATOM 0 HB2 LYS A 24 7.671 -9.284 3.211 1.00 43.32 H new ATOM 0 HB3 LYS A 24 7.328 -10.184 4.675 1.00 43.32 H new ATOM 0 HG2 LYS A 24 9.432 -9.273 5.707 1.00 65.30 H new ATOM 0 HG3 LYS A 24 9.728 -8.343 4.251 1.00 65.30 H new ATOM 0 HD2 LYS A 24 7.696 -7.040 4.560 1.00 73.14 H new ATOM 0 HD3 LYS A 24 7.126 -8.109 5.827 1.00 73.14 H new ATOM 0 HE2 LYS A 24 9.680 -6.468 6.061 1.00 11.53 H new ATOM 0 HE3 LYS A 24 8.118 -5.883 6.598 1.00 11.53 H new ATOM 0 HZ1 LYS A 24 9.603 -6.926 8.314 1.00 30.24 H new ATOM 0 HZ2 LYS A 24 8.003 -7.493 8.264 1.00 30.24 H new ATOM 0 HZ3 LYS A 24 9.256 -8.424 7.596 1.00 30.24 H new ATOM 394 N SER A 25 7.451 -12.799 3.932 1.00 71.10 N ATOM 395 CA SER A 25 6.511 -13.876 3.667 1.00 53.31 C ATOM 396 C SER A 25 5.260 -13.702 4.519 1.00 73.12 C ATOM 397 O SER A 25 5.162 -12.716 5.228 1.00 64.21 O ATOM 398 CB SER A 25 7.227 -15.200 3.926 1.00 15.54 C ATOM 399 OG SER A 25 8.361 -15.324 3.087 1.00 62.30 O ATOM 0 H SER A 25 7.604 -12.646 4.929 1.00 71.10 H new ATOM 0 HA SER A 25 6.176 -13.862 2.630 1.00 53.31 H new ATOM 0 HB2 SER A 25 7.533 -15.256 4.971 1.00 15.54 H new ATOM 0 HB3 SER A 25 6.544 -16.030 3.748 1.00 15.54 H new ATOM 0 HG SER A 25 8.809 -16.177 3.267 1.00 62.30 H new ATOM 405 N GLY A 26 4.298 -14.621 4.466 1.00 24.23 N ATOM 406 CA GLY A 26 2.888 -14.367 4.727 1.00 75.32 C ATOM 407 C GLY A 26 2.573 -13.490 5.922 1.00 20.05 C ATOM 408 O GLY A 26 2.089 -12.368 5.769 1.00 53.31 O ATOM 0 H GLY A 26 4.488 -15.595 4.232 1.00 24.23 H new ATOM 0 HA2 GLY A 26 2.454 -13.905 3.840 1.00 75.32 H new ATOM 0 HA3 GLY A 26 2.388 -15.326 4.865 1.00 75.32 H new ATOM 412 N ASP A 27 2.783 -14.014 7.122 1.00 10.31 N ATOM 413 CA ASP A 27 2.355 -13.337 8.341 1.00 10.34 C ATOM 414 C ASP A 27 3.209 -12.090 8.555 1.00 53.22 C ATOM 415 O ASP A 27 2.700 -11.058 8.982 1.00 70.11 O ATOM 416 CB ASP A 27 2.466 -14.285 9.533 1.00 73.23 C ATOM 417 CG ASP A 27 1.601 -15.522 9.321 1.00 25.34 C ATOM 418 OD1 ASP A 27 0.377 -15.478 9.586 1.00 4.34 O ATOM 419 OD2 ASP A 27 2.151 -16.511 8.778 1.00 50.43 O ATOM 0 H ASP A 27 3.248 -14.908 7.279 1.00 10.31 H new ATOM 0 HA ASP A 27 1.312 -13.035 8.245 1.00 10.34 H new ATOM 0 HB2 ASP A 27 3.506 -14.582 9.672 1.00 73.23 H new ATOM 0 HB3 ASP A 27 2.157 -13.771 10.443 1.00 73.23 H new ATOM 424 N GLU A 28 4.482 -12.163 8.175 1.00 41.34 N ATOM 425 CA GLU A 28 5.452 -11.077 8.116 1.00 50.34 C ATOM 426 C GLU A 28 4.926 -9.923 7.255 1.00 12.22 C ATOM 427 O GLU A 28 4.938 -8.763 7.661 1.00 61.13 O ATOM 428 CB GLU A 28 6.767 -11.641 7.523 1.00 43.54 C ATOM 429 CG GLU A 28 7.964 -11.643 8.467 1.00 23.21 C ATOM 430 CD GLU A 28 9.235 -11.132 7.770 1.00 21.21 C ATOM 431 OE1 GLU A 28 9.691 -11.748 6.783 1.00 34.11 O ATOM 432 OE2 GLU A 28 9.748 -10.070 8.197 1.00 13.52 O ATOM 0 H GLU A 28 4.891 -13.049 7.879 1.00 41.34 H new ATOM 0 HA GLU A 28 5.629 -10.682 9.117 1.00 50.34 H new ATOM 0 HB2 GLU A 28 6.586 -12.663 7.191 1.00 43.54 H new ATOM 0 HB3 GLU A 28 7.025 -11.059 6.638 1.00 43.54 H new ATOM 0 HG2 GLU A 28 7.746 -11.017 9.333 1.00 23.21 H new ATOM 0 HG3 GLU A 28 8.133 -12.654 8.839 1.00 23.21 H new ATOM 439 N ALA A 29 4.457 -10.255 6.059 1.00 43.31 N ATOM 440 CA ALA A 29 4.004 -9.356 5.023 1.00 33.22 C ATOM 441 C ALA A 29 2.691 -8.694 5.444 1.00 3.25 C ATOM 442 O ALA A 29 2.448 -7.526 5.147 1.00 11.25 O ATOM 443 CB ALA A 29 3.855 -10.187 3.734 1.00 72.32 C ATOM 0 H ALA A 29 4.381 -11.231 5.774 1.00 43.31 H new ATOM 0 HA ALA A 29 4.715 -8.548 4.850 1.00 33.22 H new ATOM 0 HB1 ALA A 29 3.513 -9.543 2.924 1.00 72.32 H new ATOM 0 HB2 ALA A 29 4.818 -10.624 3.469 1.00 72.32 H new ATOM 0 HB3 ALA A 29 3.128 -10.983 3.896 1.00 72.32 H new ATOM 449 N ASN A 30 1.857 -9.422 6.185 1.00 54.43 N ATOM 450 CA ASN A 30 0.579 -8.947 6.697 1.00 63.10 C ATOM 451 C ASN A 30 0.818 -7.987 7.853 1.00 51.22 C ATOM 452 O ASN A 30 0.139 -6.960 7.939 1.00 10.55 O ATOM 453 CB ASN A 30 -0.317 -10.109 7.149 1.00 4.51 C ATOM 454 CG ASN A 30 -1.158 -10.670 6.013 1.00 5.12 C ATOM 455 OD1 ASN A 30 -2.283 -10.219 5.793 1.00 53.44 O ATOM 456 ND2 ASN A 30 -0.635 -11.640 5.290 1.00 42.31 N ATOM 0 H ASN A 30 2.060 -10.385 6.451 1.00 54.43 H new ATOM 0 HA ASN A 30 0.061 -8.428 5.890 1.00 63.10 H new ATOM 0 HB2 ASN A 30 0.304 -10.903 7.564 1.00 4.51 H new ATOM 0 HB3 ASN A 30 -0.974 -9.768 7.949 1.00 4.51 H new ATOM 0 HD21 ASN A 30 -1.165 -12.043 4.518 1.00 42.31 H new ATOM 0 HD22 ASN A 30 0.300 -11.987 5.503 1.00 42.31 H new ATOM 463 N ALA A 31 1.779 -8.295 8.729 1.00 32.41 N ATOM 464 CA ALA A 31 2.216 -7.392 9.781 1.00 74.34 C ATOM 465 C ALA A 31 2.773 -6.108 9.162 1.00 71.10 C ATOM 466 O ALA A 31 2.412 -5.011 9.602 1.00 41.40 O ATOM 467 CB ALA A 31 3.248 -8.089 10.672 1.00 74.44 C ATOM 0 H ALA A 31 2.275 -9.186 8.722 1.00 32.41 H new ATOM 0 HA ALA A 31 1.368 -7.119 10.409 1.00 74.34 H new ATOM 0 HB1 ALA A 31 3.571 -7.406 11.458 1.00 74.44 H new ATOM 0 HB2 ALA A 31 2.801 -8.975 11.122 1.00 74.44 H new ATOM 0 HB3 ALA A 31 4.108 -8.383 10.071 1.00 74.44 H new ATOM 473 N TYR A 32 3.592 -6.226 8.109 1.00 25.23 N ATOM 474 CA TYR A 32 4.121 -5.050 7.428 1.00 5.52 C ATOM 475 C TYR A 32 2.972 -4.232 6.832 1.00 33.14 C ATOM 476 O TYR A 32 2.933 -3.007 6.939 1.00 41.50 O ATOM 477 CB TYR A 32 5.130 -5.449 6.350 1.00 41.23 C ATOM 478 CG TYR A 32 5.669 -4.226 5.638 1.00 23.14 C ATOM 479 CD1 TYR A 32 6.715 -3.484 6.213 1.00 22.11 C ATOM 480 CD2 TYR A 32 5.088 -3.786 4.434 1.00 32.14 C ATOM 481 CE1 TYR A 32 7.164 -2.301 5.611 1.00 33.44 C ATOM 482 CE2 TYR A 32 5.551 -2.612 3.809 1.00 5.32 C ATOM 483 CZ TYR A 32 6.566 -1.838 4.419 1.00 24.24 C ATOM 484 OH TYR A 32 6.955 -0.658 3.868 1.00 62.12 O ATOM 0 H TYR A 32 3.897 -7.117 7.717 1.00 25.23 H new ATOM 0 HA TYR A 32 4.647 -4.432 8.155 1.00 5.52 H new ATOM 0 HB2 TYR A 32 5.952 -6.004 6.803 1.00 41.23 H new ATOM 0 HB3 TYR A 32 4.655 -6.115 5.630 1.00 41.23 H new ATOM 0 HD1 TYR A 32 7.177 -3.829 7.127 1.00 22.11 H new ATOM 0 HD2 TYR A 32 4.283 -4.351 3.987 1.00 32.14 H new ATOM 0 HE1 TYR A 32 7.971 -1.741 6.061 1.00 33.44 H new ATOM 0 HE2 TYR A 32 5.131 -2.302 2.863 1.00 5.32 H new ATOM 0 HH TYR A 32 7.464 -0.141 4.527 1.00 62.12 H new ATOM 494 N ALA A 33 1.970 -4.902 6.263 1.00 32.43 N ATOM 495 CA ALA A 33 0.790 -4.271 5.696 1.00 23.35 C ATOM 496 C ALA A 33 -0.134 -3.609 6.740 1.00 63.03 C ATOM 497 O ALA A 33 -1.207 -3.127 6.371 1.00 54.50 O ATOM 498 CB ALA A 33 0.036 -5.299 4.856 1.00 44.10 C ATOM 0 H ALA A 33 1.961 -5.919 6.184 1.00 32.43 H new ATOM 0 HA ALA A 33 1.131 -3.447 5.069 1.00 23.35 H new ATOM 0 HB1 ALA A 33 -0.852 -4.836 4.425 1.00 44.10 H new ATOM 0 HB2 ALA A 33 0.682 -5.659 4.055 1.00 44.10 H new ATOM 0 HB3 ALA A 33 -0.261 -6.137 5.487 1.00 44.10 H new ATOM 504 N ALA A 34 0.235 -3.568 8.026 1.00 63.32 N ATOM 505 CA ALA A 34 -0.370 -2.677 9.012 1.00 52.11 C ATOM 506 C ALA A 34 0.497 -1.435 9.261 1.00 25.12 C ATOM 507 O ALA A 34 -0.036 -0.391 9.627 1.00 21.32 O ATOM 508 CB ALA A 34 -0.614 -3.435 10.315 1.00 5.35 C ATOM 0 H ALA A 34 0.970 -4.161 8.411 1.00 63.32 H new ATOM 0 HA ALA A 34 -1.324 -2.330 8.616 1.00 52.11 H new ATOM 0 HB1 ALA A 34 -1.065 -2.765 11.047 1.00 5.35 H new ATOM 0 HB2 ALA A 34 -1.285 -4.273 10.128 1.00 5.35 H new ATOM 0 HB3 ALA A 34 0.334 -3.809 10.702 1.00 5.35 H new ATOM 514 N GLU A 35 1.809 -1.496 9.018 1.00 61.14 N ATOM 515 CA GLU A 35 2.720 -0.360 9.162 1.00 4.45 C ATOM 516 C GLU A 35 2.348 0.721 8.145 1.00 73.31 C ATOM 517 O GLU A 35 2.320 1.904 8.474 1.00 4.52 O ATOM 518 CB GLU A 35 4.189 -0.789 8.961 1.00 32.01 C ATOM 519 CG GLU A 35 4.604 -1.916 9.916 1.00 25.33 C ATOM 520 CD GLU A 35 6.022 -2.451 9.693 1.00 22.15 C ATOM 521 OE1 GLU A 35 6.893 -1.732 9.161 1.00 45.54 O ATOM 522 OE2 GLU A 35 6.273 -3.584 10.178 1.00 50.44 O ATOM 0 H GLU A 35 2.274 -2.350 8.711 1.00 61.14 H new ATOM 0 HA GLU A 35 2.623 0.034 10.174 1.00 4.45 H new ATOM 0 HB2 GLU A 35 4.331 -1.118 7.932 1.00 32.01 H new ATOM 0 HB3 GLU A 35 4.840 0.072 9.114 1.00 32.01 H new ATOM 0 HG2 GLU A 35 4.523 -1.554 10.941 1.00 25.33 H new ATOM 0 HG3 GLU A 35 3.898 -2.740 9.813 1.00 25.33 H new ATOM 529 N VAL A 36 2.032 0.294 6.918 1.00 11.42 N ATOM 530 CA VAL A 36 1.633 1.110 5.765 1.00 2.41 C ATOM 531 C VAL A 36 0.223 1.728 5.946 1.00 74.24 C ATOM 532 O VAL A 36 -0.228 2.528 5.130 1.00 45.52 O ATOM 533 CB VAL A 36 1.744 0.208 4.507 1.00 72.23 C ATOM 534 CG1 VAL A 36 1.472 0.926 3.180 1.00 30.33 C ATOM 535 CG2 VAL A 36 3.143 -0.419 4.368 1.00 72.21 C ATOM 0 H VAL A 36 2.049 -0.700 6.688 1.00 11.42 H new ATOM 0 HA VAL A 36 2.293 1.971 5.658 1.00 2.41 H new ATOM 0 HB VAL A 36 0.972 -0.543 4.677 1.00 72.23 H new ATOM 0 HG11 VAL A 36 1.572 0.219 2.357 1.00 30.33 H new ATOM 0 HG12 VAL A 36 0.461 1.334 3.187 1.00 30.33 H new ATOM 0 HG13 VAL A 36 2.189 1.737 3.051 1.00 30.33 H new ATOM 0 HG21 VAL A 36 3.175 -1.042 3.474 1.00 72.21 H new ATOM 0 HG22 VAL A 36 3.889 0.371 4.287 1.00 72.21 H new ATOM 0 HG23 VAL A 36 3.356 -1.031 5.245 1.00 72.21 H new ATOM 545 N VAL A 37 -0.476 1.352 7.014 1.00 5.15 N ATOM 546 CA VAL A 37 -1.865 1.675 7.365 1.00 51.51 C ATOM 547 C VAL A 37 -1.899 2.497 8.673 1.00 52.43 C ATOM 548 O VAL A 37 -2.950 2.815 9.241 1.00 45.23 O ATOM 549 CB VAL A 37 -2.601 0.334 7.443 1.00 74.44 C ATOM 550 CG1 VAL A 37 -4.022 0.386 8.002 1.00 24.45 C ATOM 551 CG2 VAL A 37 -2.652 -0.338 6.062 1.00 63.22 C ATOM 0 H VAL A 37 -0.048 0.758 7.725 1.00 5.15 H new ATOM 0 HA VAL A 37 -2.361 2.306 6.628 1.00 51.51 H new ATOM 0 HB VAL A 37 -2.012 -0.243 8.156 1.00 74.44 H new ATOM 0 HG11 VAL A 37 -4.446 -0.618 8.011 1.00 24.45 H new ATOM 0 HG12 VAL A 37 -3.999 0.780 9.018 1.00 24.45 H new ATOM 0 HG13 VAL A 37 -4.636 1.034 7.376 1.00 24.45 H new ATOM 0 HG21 VAL A 37 -3.179 -1.289 6.139 1.00 63.22 H new ATOM 0 HG22 VAL A 37 -3.176 0.311 5.361 1.00 63.22 H new ATOM 0 HG23 VAL A 37 -1.637 -0.513 5.705 1.00 63.22 H new ATOM 561 N LYS A 38 -0.720 2.688 9.249 1.00 5.55 N ATOM 562 CA LYS A 38 -0.386 3.560 10.356 1.00 54.41 C ATOM 563 C LYS A 38 0.335 4.844 9.863 1.00 41.13 C ATOM 564 O LYS A 38 0.726 5.680 10.684 1.00 22.44 O ATOM 565 CB LYS A 38 0.365 2.656 11.353 1.00 42.22 C ATOM 566 CG LYS A 38 1.307 3.426 12.256 1.00 45.10 C ATOM 567 CD LYS A 38 2.022 2.588 13.305 1.00 71.11 C ATOM 568 CE LYS A 38 1.103 2.184 14.454 1.00 53.50 C ATOM 569 NZ LYS A 38 1.871 1.532 15.529 1.00 53.41 N ATOM 0 H LYS A 38 0.103 2.185 8.917 1.00 5.55 H new ATOM 0 HA LYS A 38 -1.243 3.990 10.873 1.00 54.41 H new ATOM 0 HB2 LYS A 38 -0.360 2.120 11.966 1.00 42.22 H new ATOM 0 HB3 LYS A 38 0.932 1.907 10.800 1.00 42.22 H new ATOM 0 HG2 LYS A 38 2.055 3.922 11.637 1.00 45.10 H new ATOM 0 HG3 LYS A 38 0.742 4.209 12.762 1.00 45.10 H new ATOM 0 HD2 LYS A 38 2.427 1.692 12.835 1.00 71.11 H new ATOM 0 HD3 LYS A 38 2.868 3.151 13.701 1.00 71.11 H new ATOM 0 HE2 LYS A 38 0.594 3.064 14.846 1.00 53.50 H new ATOM 0 HE3 LYS A 38 0.332 1.506 14.088 1.00 53.50 H new ATOM 0 HZ1 LYS A 38 1.228 1.264 16.302 1.00 53.41 H new ATOM 0 HZ2 LYS A 38 2.337 0.680 15.156 1.00 53.41 H new ATOM 0 HZ3 LYS A 38 2.591 2.190 15.890 1.00 53.41 H new ATOM 583 N ALA A 39 0.557 5.018 8.559 1.00 74.30 N ATOM 584 CA ALA A 39 1.454 6.032 8.018 1.00 72.44 C ATOM 585 C ALA A 39 0.826 6.701 6.798 1.00 65.24 C ATOM 586 O ALA A 39 1.376 6.665 5.696 1.00 51.32 O ATOM 587 CB ALA A 39 2.794 5.380 7.678 1.00 51.13 C ATOM 0 H ALA A 39 0.110 4.448 7.841 1.00 74.30 H new ATOM 0 HA ALA A 39 1.625 6.812 8.760 1.00 72.44 H new ATOM 0 HB1 ALA A 39 3.472 6.131 7.272 1.00 51.13 H new ATOM 0 HB2 ALA A 39 3.228 4.949 8.580 1.00 51.13 H new ATOM 0 HB3 ALA A 39 2.639 4.594 6.939 1.00 51.13 H new ATOM 593 N ASP A 40 -0.372 7.234 7.000 1.00 43.52 N ATOM 594 CA ASP A 40 -1.301 7.670 5.967 1.00 71.42 C ATOM 595 C ASP A 40 -2.273 8.670 6.596 1.00 32.43 C ATOM 596 O ASP A 40 -3.479 8.669 6.339 1.00 34.02 O ATOM 597 CB ASP A 40 -1.995 6.452 5.328 1.00 71.22 C ATOM 598 CG ASP A 40 -2.575 5.407 6.280 1.00 42.21 C ATOM 599 OD1 ASP A 40 -1.816 4.859 7.106 1.00 11.11 O ATOM 600 OD2 ASP A 40 -3.748 5.022 6.074 1.00 64.31 O ATOM 0 H ASP A 40 -0.741 7.381 7.939 1.00 43.52 H new ATOM 0 HA ASP A 40 -0.783 8.174 5.151 1.00 71.42 H new ATOM 0 HB2 ASP A 40 -2.802 6.817 4.692 1.00 71.22 H new ATOM 0 HB3 ASP A 40 -1.276 5.955 4.677 1.00 71.22 H new ATOM 605 N PHE A 41 -1.731 9.498 7.497 1.00 50.42 N ATOM 606 CA PHE A 41 -2.487 10.347 8.400 1.00 74.22 C ATOM 607 C PHE A 41 -2.048 11.806 8.251 1.00 31.03 C ATOM 608 O PHE A 41 -2.813 12.587 7.697 1.00 2.11 O ATOM 609 CB PHE A 41 -2.367 9.825 9.842 1.00 3.15 C ATOM 610 CG PHE A 41 -2.698 8.360 10.092 1.00 64.21 C ATOM 611 CD1 PHE A 41 -3.795 7.715 9.478 1.00 62.02 C ATOM 612 CD2 PHE A 41 -1.888 7.631 10.980 1.00 64.01 C ATOM 613 CE1 PHE A 41 -4.080 6.368 9.774 1.00 23.43 C ATOM 614 CE2 PHE A 41 -2.185 6.302 11.287 1.00 11.21 C ATOM 615 CZ PHE A 41 -3.289 5.669 10.699 1.00 5.52 C ATOM 0 H PHE A 41 -0.722 9.592 7.614 1.00 50.42 H new ATOM 0 HA PHE A 41 -3.545 10.312 8.139 1.00 74.22 H new ATOM 0 HB2 PHE A 41 -1.345 10.001 10.179 1.00 3.15 H new ATOM 0 HB3 PHE A 41 -3.019 10.429 10.473 1.00 3.15 H new ATOM 0 HD1 PHE A 41 -4.416 8.256 8.780 1.00 62.02 H new ATOM 0 HD2 PHE A 41 -1.027 8.104 11.429 1.00 64.01 H new ATOM 0 HE1 PHE A 41 -4.908 5.872 9.289 1.00 23.43 H new ATOM 0 HE2 PHE A 41 -1.561 5.759 11.981 1.00 11.21 H new ATOM 0 HZ PHE A 41 -3.530 4.648 10.957 1.00 5.52 H new ATOM 625 N GLU A 42 -0.872 12.200 8.764 1.00 72.44 N ATOM 626 CA GLU A 42 -0.463 13.612 8.850 1.00 23.04 C ATOM 627 C GLU A 42 -0.098 14.244 7.500 1.00 24.45 C ATOM 628 O GLU A 42 0.104 15.454 7.419 1.00 65.10 O ATOM 629 CB GLU A 42 0.750 13.752 9.780 1.00 64.04 C ATOM 630 CG GLU A 42 0.464 13.383 11.238 1.00 11.35 C ATOM 631 CD GLU A 42 1.692 13.689 12.092 1.00 1.54 C ATOM 632 OE1 GLU A 42 1.898 14.869 12.458 1.00 61.04 O ATOM 633 OE2 GLU A 42 2.500 12.762 12.340 1.00 21.25 O ATOM 0 H GLU A 42 -0.177 11.549 9.131 1.00 72.44 H new ATOM 0 HA GLU A 42 -1.334 14.141 9.236 1.00 23.04 H new ATOM 0 HB2 GLU A 42 1.555 13.119 9.407 1.00 64.04 H new ATOM 0 HB3 GLU A 42 1.108 14.781 9.740 1.00 64.04 H new ATOM 0 HG2 GLU A 42 -0.396 13.944 11.604 1.00 11.35 H new ATOM 0 HG3 GLU A 42 0.210 12.326 11.313 1.00 11.35 H new ATOM 640 N GLU A 43 0.035 13.436 6.455 1.00 2.24 N ATOM 641 CA GLU A 43 0.317 13.864 5.093 1.00 54.14 C ATOM 642 C GLU A 43 -0.863 14.644 4.482 1.00 24.34 C ATOM 643 O GLU A 43 -1.886 14.886 5.135 1.00 33.41 O ATOM 644 CB GLU A 43 0.704 12.630 4.262 1.00 25.22 C ATOM 645 CG GLU A 43 -0.303 11.476 4.397 1.00 22.25 C ATOM 646 CD GLU A 43 -0.131 10.423 3.309 1.00 21.31 C ATOM 647 OE1 GLU A 43 1.009 10.220 2.828 1.00 61.30 O ATOM 648 OE2 GLU A 43 -1.171 9.864 2.903 1.00 42.53 O ATOM 0 H GLU A 43 -0.055 12.423 6.538 1.00 2.24 H new ATOM 0 HA GLU A 43 1.154 14.562 5.094 1.00 54.14 H new ATOM 0 HB2 GLU A 43 0.783 12.915 3.213 1.00 25.22 H new ATOM 0 HB3 GLU A 43 1.689 12.283 4.573 1.00 25.22 H new ATOM 0 HG2 GLU A 43 -0.185 11.007 5.374 1.00 22.25 H new ATOM 0 HG3 GLU A 43 -1.316 11.875 4.355 1.00 22.25 H new ATOM 655 N ALA A 44 -0.707 15.069 3.225 1.00 53.41 N ATOM 656 CA ALA A 44 -1.672 15.885 2.501 1.00 63.12 C ATOM 657 C ALA A 44 -1.946 15.379 1.084 1.00 24.21 C ATOM 658 O ALA A 44 -2.488 16.121 0.264 1.00 23.03 O ATOM 659 CB ALA A 44 -1.194 17.345 2.513 1.00 74.43 C ATOM 0 H ALA A 44 0.120 14.846 2.671 1.00 53.41 H new ATOM 0 HA ALA A 44 -2.633 15.813 3.011 1.00 63.12 H new ATOM 0 HB1 ALA A 44 -1.909 17.966 1.974 1.00 74.43 H new ATOM 0 HB2 ALA A 44 -1.115 17.694 3.543 1.00 74.43 H new ATOM 0 HB3 ALA A 44 -0.219 17.412 2.031 1.00 74.43 H new ATOM 665 N GLY A 45 -1.613 14.125 0.792 1.00 30.23 N ATOM 666 CA GLY A 45 -1.847 13.524 -0.519 1.00 64.23 C ATOM 667 C GLY A 45 -0.922 12.354 -0.824 1.00 11.21 C ATOM 668 O GLY A 45 -0.150 12.439 -1.779 1.00 12.14 O ATOM 0 H GLY A 45 -1.171 13.494 1.460 1.00 30.23 H new ATOM 0 HA2 GLY A 45 -2.881 13.184 -0.575 1.00 64.23 H new ATOM 0 HA3 GLY A 45 -1.721 14.287 -1.287 1.00 64.23 H new ATOM 672 N HIS A 46 -1.030 11.282 -0.033 1.00 4.31 N ATOM 673 CA HIS A 46 -0.400 9.979 -0.246 1.00 13.41 C ATOM 674 C HIS A 46 1.063 10.110 -0.671 1.00 13.31 C ATOM 675 O HIS A 46 1.433 9.825 -1.812 1.00 61.31 O ATOM 676 CB HIS A 46 -1.261 9.108 -1.168 1.00 50.42 C ATOM 677 CG HIS A 46 -2.715 9.062 -0.812 1.00 63.32 C ATOM 678 ND1 HIS A 46 -3.797 9.636 -1.439 1.00 42.50 N ATOM 679 CD2 HIS A 46 -3.170 8.354 0.238 1.00 73.21 C ATOM 680 CE1 HIS A 46 -4.890 9.282 -0.738 1.00 65.24 C ATOM 681 NE2 HIS A 46 -4.565 8.467 0.285 1.00 62.40 N ATOM 0 H HIS A 46 -1.590 11.303 0.819 1.00 4.31 H new ATOM 0 HA HIS A 46 -0.354 9.450 0.706 1.00 13.41 H new ATOM 0 HB2 HIS A 46 -1.163 9.477 -2.189 1.00 50.42 H new ATOM 0 HB3 HIS A 46 -0.867 8.092 -1.157 1.00 50.42 H new ATOM 0 HD2 HIS A 46 -2.560 7.792 0.930 1.00 73.21 H new ATOM 0 HE1 HIS A 46 -5.894 9.608 -0.965 1.00 65.24 H new ATOM 0 HE2 HIS A 46 -5.200 8.027 0.951 1.00 62.40 H new ATOM 689 N GLU A 47 1.892 10.584 0.252 1.00 63.44 N ATOM 690 CA GLU A 47 3.244 11.056 0.011 1.00 32.52 C ATOM 691 C GLU A 47 4.176 10.522 1.088 1.00 13.22 C ATOM 692 O GLU A 47 5.254 10.025 0.774 1.00 30.21 O ATOM 693 CB GLU A 47 3.250 12.591 0.035 1.00 31.21 C ATOM 694 CG GLU A 47 4.372 13.155 -0.838 1.00 4.21 C ATOM 695 CD GLU A 47 4.129 12.873 -2.318 1.00 45.03 C ATOM 696 OE1 GLU A 47 3.111 13.365 -2.860 1.00 10.21 O ATOM 697 OE2 GLU A 47 4.952 12.184 -2.971 1.00 4.35 O ATOM 0 H GLU A 47 1.624 10.651 1.234 1.00 63.44 H new ATOM 0 HA GLU A 47 3.588 10.702 -0.961 1.00 32.52 H new ATOM 0 HB2 GLU A 47 2.289 12.966 -0.317 1.00 31.21 H new ATOM 0 HB3 GLU A 47 3.373 12.941 1.060 1.00 31.21 H new ATOM 0 HG2 GLU A 47 4.451 14.231 -0.680 1.00 4.21 H new ATOM 0 HG3 GLU A 47 5.324 12.718 -0.535 1.00 4.21 H new ATOM 704 N ASP A 48 3.757 10.588 2.353 1.00 1.35 N ATOM 705 CA ASP A 48 4.465 9.928 3.442 1.00 62.22 C ATOM 706 C ASP A 48 4.337 8.424 3.275 1.00 65.42 C ATOM 707 O ASP A 48 5.304 7.701 3.489 1.00 1.13 O ATOM 708 CB ASP A 48 3.889 10.371 4.784 1.00 33.45 C ATOM 709 CG ASP A 48 4.736 9.894 5.960 1.00 73.02 C ATOM 710 OD1 ASP A 48 5.981 9.800 5.835 1.00 10.32 O ATOM 711 OD2 ASP A 48 4.168 9.759 7.068 1.00 45.20 O ATOM 0 H ASP A 48 2.923 11.097 2.646 1.00 1.35 H new ATOM 0 HA ASP A 48 5.519 10.203 3.418 1.00 62.22 H new ATOM 0 HB2 ASP A 48 3.819 11.459 4.806 1.00 33.45 H new ATOM 0 HB3 ASP A 48 2.875 9.984 4.888 1.00 33.45 H new ATOM 716 N VAL A 49 3.192 7.972 2.756 1.00 5.25 N ATOM 717 CA VAL A 49 2.993 6.614 2.278 1.00 44.53 C ATOM 718 C VAL A 49 4.079 6.238 1.260 1.00 70.42 C ATOM 719 O VAL A 49 4.577 5.112 1.303 1.00 2.15 O ATOM 720 CB VAL A 49 1.580 6.520 1.657 1.00 30.45 C ATOM 721 CG1 VAL A 49 1.291 5.143 1.048 1.00 70.12 C ATOM 722 CG2 VAL A 49 0.470 6.781 2.679 1.00 74.33 C ATOM 0 H VAL A 49 2.363 8.558 2.657 1.00 5.25 H new ATOM 0 HA VAL A 49 3.071 5.908 3.105 1.00 44.53 H new ATOM 0 HB VAL A 49 1.580 7.288 0.883 1.00 30.45 H new ATOM 0 HG11 VAL A 49 0.286 5.135 0.627 1.00 70.12 H new ATOM 0 HG12 VAL A 49 2.016 4.934 0.261 1.00 70.12 H new ATOM 0 HG13 VAL A 49 1.366 4.380 1.822 1.00 70.12 H new ATOM 0 HG21 VAL A 49 -0.501 6.703 2.190 1.00 74.33 H new ATOM 0 HG22 VAL A 49 0.533 6.045 3.480 1.00 74.33 H new ATOM 0 HG23 VAL A 49 0.587 7.782 3.095 1.00 74.33 H new ATOM 732 N MET A 50 4.438 7.136 0.330 1.00 50.01 N ATOM 733 CA MET A 50 5.505 6.865 -0.627 1.00 70.54 C ATOM 734 C MET A 50 6.836 6.819 0.110 1.00 12.44 C ATOM 735 O MET A 50 7.534 5.814 0.007 1.00 34.21 O ATOM 736 CB MET A 50 5.550 7.863 -1.795 1.00 2.03 C ATOM 737 CG MET A 50 4.257 8.039 -2.599 1.00 2.25 C ATOM 738 SD MET A 50 3.723 6.686 -3.691 1.00 33.21 S ATOM 739 CE MET A 50 2.974 5.545 -2.505 1.00 73.41 C ATOM 0 H MET A 50 4.002 8.052 0.226 1.00 50.01 H new ATOM 0 HA MET A 50 5.298 5.897 -1.084 1.00 70.54 H new ATOM 0 HB2 MET A 50 5.840 8.837 -1.400 1.00 2.03 H new ATOM 0 HB3 MET A 50 6.337 7.549 -2.481 1.00 2.03 H new ATOM 0 HG2 MET A 50 3.450 8.232 -1.892 1.00 2.25 H new ATOM 0 HG3 MET A 50 4.366 8.935 -3.210 1.00 2.25 H new ATOM 0 HE1 MET A 50 2.238 4.922 -3.014 1.00 73.41 H new ATOM 0 HE2 MET A 50 3.748 4.911 -2.071 1.00 73.41 H new ATOM 0 HE3 MET A 50 2.484 6.112 -1.714 1.00 73.41 H new ATOM 749 N ARG A 51 7.198 7.859 0.870 1.00 45.03 N ATOM 750 CA ARG A 51 8.469 7.912 1.549 1.00 23.41 C ATOM 751 C ARG A 51 8.688 6.714 2.465 1.00 1.21 C ATOM 752 O ARG A 51 9.811 6.216 2.532 1.00 4.13 O ATOM 753 CB ARG A 51 8.595 9.250 2.303 1.00 30.31 C ATOM 754 CG ARG A 51 9.980 9.764 1.935 1.00 23.44 C ATOM 755 CD ARG A 51 10.557 10.876 2.808 1.00 51.22 C ATOM 756 NE ARG A 51 9.675 12.042 2.938 1.00 5.22 N ATOM 757 CZ ARG A 51 9.288 12.944 2.032 1.00 71.52 C ATOM 758 NH1 ARG A 51 9.506 12.799 0.730 1.00 5.25 N ATOM 759 NH2 ARG A 51 8.699 14.039 2.475 1.00 25.12 N ATOM 0 H ARG A 51 6.610 8.678 1.022 1.00 45.03 H new ATOM 0 HA ARG A 51 9.260 7.857 0.802 1.00 23.41 H new ATOM 0 HB2 ARG A 51 7.818 9.951 2.000 1.00 30.31 H new ATOM 0 HB3 ARG A 51 8.496 9.110 3.379 1.00 30.31 H new ATOM 0 HG2 ARG A 51 10.672 8.922 1.957 1.00 23.44 H new ATOM 0 HG3 ARG A 51 9.947 10.123 0.906 1.00 23.44 H new ATOM 0 HD2 ARG A 51 10.764 10.476 3.801 1.00 51.22 H new ATOM 0 HD3 ARG A 51 11.510 11.198 2.388 1.00 51.22 H new ATOM 0 HE ARG A 51 9.295 12.187 3.874 1.00 5.22 H new ATOM 0 HH11 ARG A 51 9.989 11.970 0.383 1.00 5.25 H new ATOM 0 HH12 ARG A 51 9.191 13.517 0.077 1.00 5.25 H new ATOM 0 HH21 ARG A 51 8.555 14.171 3.476 1.00 25.12 H new ATOM 0 HH22 ARG A 51 8.388 14.753 1.816 1.00 25.12 H new ATOM 773 N LYS A 52 7.631 6.224 3.113 1.00 32.54 N ATOM 774 CA LYS A 52 7.684 5.025 3.923 1.00 2.34 C ATOM 775 C LYS A 52 8.207 3.863 3.092 1.00 54.40 C ATOM 776 O LYS A 52 9.225 3.271 3.444 1.00 33.54 O ATOM 777 CB LYS A 52 6.312 4.703 4.530 1.00 11.24 C ATOM 778 CG LYS A 52 6.512 3.694 5.665 1.00 72.34 C ATOM 779 CD LYS A 52 5.247 2.887 5.944 1.00 21.31 C ATOM 780 CE LYS A 52 5.403 2.090 7.240 1.00 43.52 C ATOM 781 NZ LYS A 52 5.495 2.974 8.425 1.00 74.23 N ATOM 0 H LYS A 52 6.709 6.659 3.085 1.00 32.54 H new ATOM 0 HA LYS A 52 8.370 5.195 4.753 1.00 2.34 H new ATOM 0 HB2 LYS A 52 5.842 5.611 4.908 1.00 11.24 H new ATOM 0 HB3 LYS A 52 5.648 4.292 3.770 1.00 11.24 H new ATOM 0 HG2 LYS A 52 7.325 3.015 5.407 1.00 72.34 H new ATOM 0 HG3 LYS A 52 6.812 4.222 6.570 1.00 72.34 H new ATOM 0 HD2 LYS A 52 4.390 3.556 6.021 1.00 21.31 H new ATOM 0 HD3 LYS A 52 5.049 2.209 5.114 1.00 21.31 H new ATOM 0 HE2 LYS A 52 4.555 1.415 7.355 1.00 43.52 H new ATOM 0 HE3 LYS A 52 6.297 1.470 7.179 1.00 43.52 H new ATOM 0 HZ1 LYS A 52 6.429 2.864 8.868 1.00 74.23 H new ATOM 0 HZ2 LYS A 52 5.365 3.963 8.131 1.00 74.23 H new ATOM 0 HZ3 LYS A 52 4.755 2.716 9.109 1.00 74.23 H new ATOM 795 N VAL A 53 7.500 3.503 2.018 1.00 2.13 N ATOM 796 CA VAL A 53 7.828 2.310 1.265 1.00 51.41 C ATOM 797 C VAL A 53 9.159 2.494 0.555 1.00 61.44 C ATOM 798 O VAL A 53 9.910 1.535 0.464 1.00 70.33 O ATOM 799 CB VAL A 53 6.697 1.924 0.294 1.00 63.52 C ATOM 800 CG1 VAL A 53 5.421 1.566 1.072 1.00 72.51 C ATOM 801 CG2 VAL A 53 6.378 2.981 -0.773 1.00 62.42 C ATOM 0 H VAL A 53 6.701 4.025 1.658 1.00 2.13 H new ATOM 0 HA VAL A 53 7.930 1.476 1.959 1.00 51.41 H new ATOM 0 HB VAL A 53 7.070 1.056 -0.249 1.00 63.52 H new ATOM 0 HG11 VAL A 53 4.631 1.296 0.371 1.00 72.51 H new ATOM 0 HG12 VAL A 53 5.623 0.724 1.734 1.00 72.51 H new ATOM 0 HG13 VAL A 53 5.103 2.424 1.664 1.00 72.51 H new ATOM 0 HG21 VAL A 53 5.570 2.622 -1.410 1.00 62.42 H new ATOM 0 HG22 VAL A 53 6.073 3.908 -0.287 1.00 62.42 H new ATOM 0 HG23 VAL A 53 7.265 3.164 -1.380 1.00 62.42 H new ATOM 811 N LEU A 54 9.467 3.693 0.055 1.00 70.22 N ATOM 812 CA LEU A 54 10.705 3.940 -0.661 1.00 13.45 C ATOM 813 C LEU A 54 11.895 3.817 0.294 1.00 5.33 C ATOM 814 O LEU A 54 12.895 3.195 -0.059 1.00 43.10 O ATOM 815 CB LEU A 54 10.670 5.310 -1.356 1.00 2.02 C ATOM 816 CG LEU A 54 10.139 5.343 -2.805 1.00 44.24 C ATOM 817 CD1 LEU A 54 10.883 4.390 -3.749 1.00 42.11 C ATOM 818 CD2 LEU A 54 8.639 5.168 -3.000 1.00 34.51 C ATOM 0 H LEU A 54 8.864 4.511 0.138 1.00 70.22 H new ATOM 0 HA LEU A 54 10.820 3.188 -1.441 1.00 13.45 H new ATOM 0 HB2 LEU A 54 10.056 5.980 -0.754 1.00 2.02 H new ATOM 0 HB3 LEU A 54 11.681 5.717 -1.356 1.00 2.02 H new ATOM 0 HG LEU A 54 10.352 6.378 -3.072 1.00 44.24 H new ATOM 0 HD11 LEU A 54 10.458 4.464 -4.750 1.00 42.11 H new ATOM 0 HD12 LEU A 54 11.938 4.661 -3.781 1.00 42.11 H new ATOM 0 HD13 LEU A 54 10.782 3.367 -3.387 1.00 42.11 H new ATOM 0 HD21 LEU A 54 8.403 5.212 -4.063 1.00 34.51 H new ATOM 0 HD22 LEU A 54 8.330 4.203 -2.599 1.00 34.51 H new ATOM 0 HD23 LEU A 54 8.109 5.964 -2.478 1.00 34.51 H new ATOM 830 N GLY A 55 11.780 4.351 1.516 1.00 63.13 N ATOM 831 CA GLY A 55 12.788 4.193 2.553 1.00 45.10 C ATOM 832 C GLY A 55 12.934 2.724 2.938 1.00 3.22 C ATOM 833 O GLY A 55 14.051 2.208 2.993 1.00 43.34 O ATOM 0 H GLY A 55 10.977 4.907 1.808 1.00 63.13 H new ATOM 0 HA2 GLY A 55 13.744 4.579 2.200 1.00 45.10 H new ATOM 0 HA3 GLY A 55 12.511 4.779 3.430 1.00 45.10 H new ATOM 837 N ASP A 56 11.818 2.037 3.192 1.00 65.52 N ATOM 838 CA ASP A 56 11.811 0.627 3.583 1.00 43.13 C ATOM 839 C ASP A 56 12.399 -0.252 2.471 1.00 72.51 C ATOM 840 O ASP A 56 13.035 -1.266 2.764 1.00 72.14 O ATOM 841 CB ASP A 56 10.387 0.156 3.938 1.00 1.21 C ATOM 842 CG ASP A 56 9.859 0.640 5.295 1.00 3.13 C ATOM 843 OD1 ASP A 56 10.631 1.124 6.152 1.00 11.33 O ATOM 844 OD2 ASP A 56 8.635 0.495 5.542 1.00 25.24 O ATOM 0 H ASP A 56 10.886 2.448 3.131 1.00 65.52 H new ATOM 0 HA ASP A 56 12.436 0.528 4.471 1.00 43.13 H new ATOM 0 HB2 ASP A 56 9.704 0.495 3.159 1.00 1.21 H new ATOM 0 HB3 ASP A 56 10.368 -0.934 3.926 1.00 1.21 H new ATOM 849 N LEU A 57 12.216 0.125 1.199 1.00 72.31 N ATOM 850 CA LEU A 57 12.786 -0.547 0.030 1.00 24.32 C ATOM 851 C LEU A 57 14.300 -0.370 -0.068 1.00 12.43 C ATOM 852 O LEU A 57 14.925 -1.126 -0.800 1.00 3.31 O ATOM 853 CB LEU A 57 12.139 -0.035 -1.275 1.00 72.21 C ATOM 854 CG LEU A 57 10.772 -0.661 -1.605 1.00 25.23 C ATOM 855 CD1 LEU A 57 10.109 0.115 -2.747 1.00 14.42 C ATOM 856 CD2 LEU A 57 10.910 -2.118 -2.047 1.00 2.22 C ATOM 0 H LEU A 57 11.647 0.934 0.950 1.00 72.31 H new ATOM 0 HA LEU A 57 12.572 -1.608 0.160 1.00 24.32 H new ATOM 0 HB2 LEU A 57 12.021 1.046 -1.206 1.00 72.21 H new ATOM 0 HB3 LEU A 57 12.821 -0.229 -2.103 1.00 72.21 H new ATOM 0 HG LEU A 57 10.169 -0.617 -0.698 1.00 25.23 H new ATOM 0 HD11 LEU A 57 9.142 -0.332 -2.977 1.00 14.42 H new ATOM 0 HD12 LEU A 57 9.967 1.153 -2.447 1.00 14.42 H new ATOM 0 HD13 LEU A 57 10.746 0.077 -3.631 1.00 14.42 H new ATOM 0 HD21 LEU A 57 9.924 -2.525 -2.271 1.00 2.22 H new ATOM 0 HD22 LEU A 57 11.535 -2.170 -2.938 1.00 2.22 H new ATOM 0 HD23 LEU A 57 11.369 -2.699 -1.247 1.00 2.22 H new ATOM 868 N ASP A 58 14.898 0.616 0.605 1.00 52.03 N ATOM 869 CA ASP A 58 16.346 0.893 0.683 1.00 61.31 C ATOM 870 C ASP A 58 16.963 1.343 -0.652 1.00 62.32 C ATOM 871 O ASP A 58 18.096 1.821 -0.697 1.00 14.13 O ATOM 872 CB ASP A 58 17.050 -0.351 1.275 1.00 11.42 C ATOM 873 CG ASP A 58 18.516 -0.205 1.697 1.00 72.22 C ATOM 874 OD1 ASP A 58 19.413 -0.241 0.825 1.00 65.31 O ATOM 875 OD2 ASP A 58 18.790 -0.480 2.892 1.00 45.14 O ATOM 0 H ASP A 58 14.355 1.288 1.147 1.00 52.03 H new ATOM 0 HA ASP A 58 16.498 1.748 1.341 1.00 61.31 H new ATOM 0 HB2 ASP A 58 16.481 -0.676 2.146 1.00 11.42 H new ATOM 0 HB3 ASP A 58 16.991 -1.152 0.538 1.00 11.42 H new ATOM 880 N GLY A 59 16.184 1.321 -1.732 1.00 13.02 N ATOM 881 CA GLY A 59 16.634 1.440 -3.116 1.00 53.33 C ATOM 882 C GLY A 59 16.366 0.184 -3.959 1.00 1.14 C ATOM 883 O GLY A 59 16.994 0.020 -5.009 1.00 12.35 O ATOM 0 H GLY A 59 15.172 1.214 -1.661 1.00 13.02 H new ATOM 0 HA2 GLY A 59 16.136 2.292 -3.579 1.00 53.33 H new ATOM 0 HA3 GLY A 59 17.703 1.652 -3.125 1.00 53.33 H new ATOM 887 N LYS A 60 15.495 -0.733 -3.518 1.00 24.45 N ATOM 888 CA LYS A 60 15.191 -1.965 -4.235 1.00 54.43 C ATOM 889 C LYS A 60 14.487 -1.737 -5.570 1.00 60.44 C ATOM 890 O LYS A 60 14.754 -2.508 -6.495 1.00 23.13 O ATOM 891 CB LYS A 60 14.359 -2.901 -3.359 1.00 21.43 C ATOM 892 CG LYS A 60 15.194 -3.986 -2.665 1.00 4.31 C ATOM 893 CD LYS A 60 14.323 -4.844 -1.742 1.00 14.11 C ATOM 894 CE LYS A 60 14.984 -6.168 -1.336 1.00 35.54 C ATOM 895 NZ LYS A 60 14.927 -7.200 -2.393 1.00 24.34 N ATOM 0 H LYS A 60 14.979 -0.633 -2.644 1.00 24.45 H new ATOM 0 HA LYS A 60 16.152 -2.426 -4.465 1.00 54.43 H new ATOM 0 HB2 LYS A 60 13.839 -2.313 -2.602 1.00 21.43 H new ATOM 0 HB3 LYS A 60 13.595 -3.378 -3.973 1.00 21.43 H new ATOM 0 HG2 LYS A 60 15.669 -4.619 -3.414 1.00 4.31 H new ATOM 0 HG3 LYS A 60 15.993 -3.521 -2.088 1.00 4.31 H new ATOM 0 HD2 LYS A 60 14.088 -4.274 -0.843 1.00 14.11 H new ATOM 0 HD3 LYS A 60 13.378 -5.057 -2.241 1.00 14.11 H new ATOM 0 HE2 LYS A 60 16.026 -5.981 -1.077 1.00 35.54 H new ATOM 0 HE3 LYS A 60 14.496 -6.549 -0.439 1.00 35.54 H new ATOM 0 HZ1 LYS A 60 15.463 -8.038 -2.089 1.00 24.34 H new ATOM 0 HZ2 LYS A 60 13.936 -7.466 -2.565 1.00 24.34 H new ATOM 0 HZ3 LYS A 60 15.342 -6.823 -3.269 1.00 24.34 H new ATOM 909 N ARG A 61 13.533 -0.803 -5.676 1.00 22.41 N ATOM 910 CA ARG A 61 12.726 -0.641 -6.892 1.00 44.32 C ATOM 911 C ARG A 61 12.489 0.828 -7.207 1.00 34.32 C ATOM 912 O ARG A 61 12.216 1.598 -6.284 1.00 2.25 O ATOM 913 CB ARG A 61 11.359 -1.328 -6.747 1.00 0.03 C ATOM 914 CG ARG A 61 11.411 -2.853 -6.728 1.00 24.53 C ATOM 915 CD ARG A 61 11.945 -3.482 -8.023 1.00 15.13 C ATOM 916 NE ARG A 61 11.843 -4.944 -7.952 1.00 23.13 N ATOM 917 CZ ARG A 61 10.729 -5.671 -8.065 1.00 32.31 C ATOM 918 NH1 ARG A 61 9.586 -5.112 -8.449 1.00 23.54 N ATOM 919 NH2 ARG A 61 10.804 -6.966 -7.787 1.00 23.31 N ATOM 0 H ARG A 61 13.301 -0.146 -4.931 1.00 22.41 H new ATOM 0 HA ARG A 61 13.288 -1.104 -7.703 1.00 44.32 H new ATOM 0 HB2 ARG A 61 10.890 -0.982 -5.826 1.00 0.03 H new ATOM 0 HB3 ARG A 61 10.719 -1.010 -7.570 1.00 0.03 H new ATOM 0 HG2 ARG A 61 12.039 -3.173 -5.896 1.00 24.53 H new ATOM 0 HG3 ARG A 61 10.409 -3.237 -6.537 1.00 24.53 H new ATOM 0 HD2 ARG A 61 11.379 -3.111 -8.877 1.00 15.13 H new ATOM 0 HD3 ARG A 61 12.983 -3.189 -8.178 1.00 15.13 H new ATOM 0 HE ARG A 61 12.712 -5.457 -7.801 1.00 23.13 H new ATOM 0 HH11 ARG A 61 9.552 -4.115 -8.662 1.00 23.54 H new ATOM 0 HH12 ARG A 61 8.743 -5.680 -8.531 1.00 23.54 H new ATOM 0 HH21 ARG A 61 11.693 -7.375 -7.498 1.00 23.31 H new ATOM 0 HH22 ARG A 61 9.973 -7.553 -7.862 1.00 23.31 H new ATOM 933 N PRO A 62 12.457 1.200 -8.497 1.00 21.13 N ATOM 934 CA PRO A 62 12.386 2.592 -8.898 1.00 60.10 C ATOM 935 C PRO A 62 11.078 3.211 -8.444 1.00 4.32 C ATOM 936 O PRO A 62 10.024 2.576 -8.523 1.00 34.15 O ATOM 937 CB PRO A 62 12.491 2.598 -10.422 1.00 51.12 C ATOM 938 CG PRO A 62 12.084 1.190 -10.845 1.00 0.45 C ATOM 939 CD PRO A 62 12.488 0.325 -9.659 1.00 60.51 C ATOM 0 HA PRO A 62 13.185 3.180 -8.446 1.00 60.10 H new ATOM 0 HB2 PRO A 62 11.834 3.349 -10.861 1.00 51.12 H new ATOM 0 HB3 PRO A 62 13.504 2.832 -10.748 1.00 51.12 H new ATOM 0 HG2 PRO A 62 11.014 1.125 -11.042 1.00 0.45 H new ATOM 0 HG3 PRO A 62 12.595 0.883 -11.757 1.00 0.45 H new ATOM 0 HD2 PRO A 62 11.802 -0.513 -9.535 1.00 60.51 H new ATOM 0 HD3 PRO A 62 13.483 -0.096 -9.804 1.00 60.51 H new ATOM 947 N GLU A 63 11.141 4.475 -8.024 1.00 55.14 N ATOM 948 CA GLU A 63 9.975 5.194 -7.536 1.00 73.41 C ATOM 949 C GLU A 63 8.879 5.237 -8.604 1.00 64.50 C ATOM 950 O GLU A 63 7.705 5.182 -8.253 1.00 4.42 O ATOM 951 CB GLU A 63 10.402 6.579 -7.033 1.00 2.11 C ATOM 952 CG GLU A 63 9.235 7.329 -6.352 1.00 5.34 C ATOM 953 CD GLU A 63 9.611 8.316 -5.235 1.00 23.53 C ATOM 954 OE1 GLU A 63 10.762 8.314 -4.762 1.00 25.33 O ATOM 955 OE2 GLU A 63 8.700 9.031 -4.741 1.00 65.42 O ATOM 0 H GLU A 63 12.001 5.023 -8.014 1.00 55.14 H new ATOM 0 HA GLU A 63 9.537 4.669 -6.687 1.00 73.41 H new ATOM 0 HB2 GLU A 63 11.225 6.471 -6.327 1.00 2.11 H new ATOM 0 HB3 GLU A 63 10.775 7.170 -7.869 1.00 2.11 H new ATOM 0 HG2 GLU A 63 8.687 7.875 -7.120 1.00 5.34 H new ATOM 0 HG3 GLU A 63 8.550 6.589 -5.937 1.00 5.34 H new ATOM 962 N ALA A 64 9.236 5.236 -9.895 1.00 35.25 N ATOM 963 CA ALA A 64 8.270 5.105 -10.983 1.00 62.32 C ATOM 964 C ALA A 64 7.414 3.841 -10.845 1.00 24.12 C ATOM 965 O ALA A 64 6.188 3.972 -10.842 1.00 41.01 O ATOM 966 CB ALA A 64 8.964 5.130 -12.344 1.00 21.22 C ATOM 0 H ALA A 64 10.202 5.326 -10.210 1.00 35.25 H new ATOM 0 HA ALA A 64 7.603 5.965 -10.916 1.00 62.32 H new ATOM 0 HB1 ALA A 64 8.220 5.031 -13.134 1.00 21.22 H new ATOM 0 HB2 ALA A 64 9.496 6.074 -12.464 1.00 21.22 H new ATOM 0 HB3 ALA A 64 9.672 4.304 -12.407 1.00 21.22 H new ATOM 972 N GLU A 65 8.028 2.653 -10.737 1.00 31.45 N ATOM 973 CA GLU A 65 7.321 1.392 -10.541 1.00 1.04 C ATOM 974 C GLU A 65 6.497 1.466 -9.256 1.00 12.14 C ATOM 975 O GLU A 65 5.299 1.194 -9.267 1.00 24.34 O ATOM 976 CB GLU A 65 8.326 0.219 -10.503 1.00 71.12 C ATOM 977 CG GLU A 65 7.604 -1.138 -10.510 1.00 15.02 C ATOM 978 CD GLU A 65 8.530 -2.345 -10.280 1.00 51.13 C ATOM 979 OE1 GLU A 65 9.094 -2.474 -9.172 1.00 1.04 O ATOM 980 OE2 GLU A 65 8.650 -3.226 -11.167 1.00 64.40 O ATOM 0 H GLU A 65 9.041 2.547 -10.785 1.00 31.45 H new ATOM 0 HA GLU A 65 6.641 1.217 -11.375 1.00 1.04 H new ATOM 0 HB2 GLU A 65 8.994 0.282 -11.362 1.00 71.12 H new ATOM 0 HB3 GLU A 65 8.947 0.298 -9.610 1.00 71.12 H new ATOM 0 HG2 GLU A 65 6.835 -1.132 -9.738 1.00 15.02 H new ATOM 0 HG3 GLU A 65 7.095 -1.261 -11.466 1.00 15.02 H new ATOM 987 N VAL A 66 7.134 1.844 -8.147 1.00 63.22 N ATOM 988 CA VAL A 66 6.546 1.808 -6.815 1.00 74.31 C ATOM 989 C VAL A 66 5.301 2.702 -6.763 1.00 43.24 C ATOM 990 O VAL A 66 4.223 2.246 -6.375 1.00 72.31 O ATOM 991 CB VAL A 66 7.625 2.189 -5.778 1.00 21.52 C ATOM 992 CG1 VAL A 66 7.070 2.233 -4.348 1.00 3.24 C ATOM 993 CG2 VAL A 66 8.798 1.192 -5.787 1.00 13.43 C ATOM 0 H VAL A 66 8.093 2.190 -8.154 1.00 63.22 H new ATOM 0 HA VAL A 66 6.204 0.803 -6.569 1.00 74.31 H new ATOM 0 HB VAL A 66 7.967 3.182 -6.070 1.00 21.52 H new ATOM 0 HG11 VAL A 66 7.867 2.505 -3.656 1.00 3.24 H new ATOM 0 HG12 VAL A 66 6.271 2.972 -4.290 1.00 3.24 H new ATOM 0 HG13 VAL A 66 6.677 1.252 -4.080 1.00 3.24 H new ATOM 0 HG21 VAL A 66 9.537 1.493 -5.045 1.00 13.43 H new ATOM 0 HG22 VAL A 66 8.429 0.194 -5.548 1.00 13.43 H new ATOM 0 HG23 VAL A 66 9.259 1.182 -6.775 1.00 13.43 H new ATOM 1003 N ARG A 67 5.413 3.972 -7.163 1.00 75.23 N ATOM 1004 CA ARG A 67 4.277 4.884 -7.099 1.00 53.43 C ATOM 1005 C ARG A 67 3.194 4.459 -8.094 1.00 43.02 C ATOM 1006 O ARG A 67 2.021 4.503 -7.732 1.00 23.11 O ATOM 1007 CB ARG A 67 4.739 6.352 -7.207 1.00 2.42 C ATOM 1008 CG ARG A 67 5.008 6.858 -8.631 1.00 71.11 C ATOM 1009 CD ARG A 67 6.093 7.939 -8.721 1.00 33.24 C ATOM 1010 NE ARG A 67 5.896 9.107 -7.841 1.00 25.43 N ATOM 1011 CZ ARG A 67 6.700 10.181 -7.846 1.00 70.13 C ATOM 1012 NH1 ARG A 67 7.764 10.209 -8.643 1.00 43.42 N ATOM 1013 NH2 ARG A 67 6.425 11.232 -7.085 1.00 34.14 N ATOM 0 H ARG A 67 6.271 4.385 -7.530 1.00 75.23 H new ATOM 0 HA ARG A 67 3.802 4.822 -6.120 1.00 53.43 H new ATOM 0 HB2 ARG A 67 3.980 6.988 -6.752 1.00 2.42 H new ATOM 0 HB3 ARG A 67 5.649 6.472 -6.620 1.00 2.42 H new ATOM 0 HG2 ARG A 67 5.300 6.014 -9.255 1.00 71.11 H new ATOM 0 HG3 ARG A 67 4.081 7.255 -9.045 1.00 71.11 H new ATOM 0 HD2 ARG A 67 7.055 7.485 -8.484 1.00 33.24 H new ATOM 0 HD3 ARG A 67 6.150 8.288 -9.752 1.00 33.24 H new ATOM 0 HE ARG A 67 5.107 9.097 -7.195 1.00 25.43 H new ATOM 0 HH11 ARG A 67 7.968 9.415 -9.249 1.00 43.42 H new ATOM 0 HH12 ARG A 67 8.376 11.025 -8.648 1.00 43.42 H new ATOM 0 HH21 ARG A 67 5.597 11.228 -6.490 1.00 34.14 H new ATOM 0 HH22 ARG A 67 7.042 12.044 -7.095 1.00 34.14 H new ATOM 1027 N ALA A 68 3.546 3.968 -9.292 1.00 64.12 N ATOM 1028 CA ALA A 68 2.550 3.469 -10.238 1.00 54.14 C ATOM 1029 C ALA A 68 1.805 2.254 -9.682 1.00 22.11 C ATOM 1030 O ALA A 68 0.605 2.118 -9.929 1.00 23.23 O ATOM 1031 CB ALA A 68 3.178 3.108 -11.584 1.00 4.05 C ATOM 0 H ALA A 68 4.509 3.908 -9.623 1.00 64.12 H new ATOM 0 HA ALA A 68 1.838 4.280 -10.391 1.00 54.14 H new ATOM 0 HB1 ALA A 68 2.405 2.741 -12.259 1.00 4.05 H new ATOM 0 HB2 ALA A 68 3.647 3.992 -12.015 1.00 4.05 H new ATOM 0 HB3 ALA A 68 3.930 2.333 -11.438 1.00 4.05 H new ATOM 1037 N LYS A 69 2.479 1.380 -8.926 1.00 31.43 N ATOM 1038 CA LYS A 69 1.844 0.244 -8.263 1.00 40.22 C ATOM 1039 C LYS A 69 0.693 0.755 -7.402 1.00 20.54 C ATOM 1040 O LYS A 69 -0.429 0.254 -7.503 1.00 32.33 O ATOM 1041 CB LYS A 69 2.875 -0.522 -7.410 1.00 4.35 C ATOM 1042 CG LYS A 69 2.403 -1.942 -7.080 1.00 55.14 C ATOM 1043 CD LYS A 69 2.795 -2.911 -8.201 1.00 75.33 C ATOM 1044 CE LYS A 69 2.189 -4.299 -8.000 1.00 71.34 C ATOM 1045 NZ LYS A 69 0.855 -4.420 -8.619 1.00 15.24 N ATOM 0 H LYS A 69 3.483 1.444 -8.759 1.00 31.43 H new ATOM 0 HA LYS A 69 1.452 -0.448 -9.009 1.00 40.22 H new ATOM 0 HB2 LYS A 69 3.824 -0.570 -7.944 1.00 4.35 H new ATOM 0 HB3 LYS A 69 3.058 0.024 -6.484 1.00 4.35 H new ATOM 0 HG2 LYS A 69 2.844 -2.269 -6.138 1.00 55.14 H new ATOM 0 HG3 LYS A 69 1.321 -1.950 -6.946 1.00 55.14 H new ATOM 0 HD2 LYS A 69 2.467 -2.508 -9.159 1.00 75.33 H new ATOM 0 HD3 LYS A 69 3.881 -2.993 -8.245 1.00 75.33 H new ATOM 0 HE2 LYS A 69 2.855 -5.049 -8.426 1.00 71.34 H new ATOM 0 HE3 LYS A 69 2.113 -4.509 -6.933 1.00 71.34 H new ATOM 0 HZ1 LYS A 69 0.483 -5.378 -8.457 1.00 15.24 H new ATOM 0 HZ2 LYS A 69 0.211 -3.722 -8.195 1.00 15.24 H new ATOM 0 HZ3 LYS A 69 0.930 -4.246 -9.642 1.00 15.24 H new ATOM 1059 N TYR A 70 0.981 1.751 -6.564 1.00 43.14 N ATOM 1060 CA TYR A 70 0.042 2.350 -5.634 1.00 15.25 C ATOM 1061 C TYR A 70 -1.102 3.063 -6.362 1.00 21.13 C ATOM 1062 O TYR A 70 -2.269 2.817 -6.056 1.00 34.25 O ATOM 1063 CB TYR A 70 0.809 3.304 -4.718 1.00 71.51 C ATOM 1064 CG TYR A 70 -0.050 3.904 -3.634 1.00 70.51 C ATOM 1065 CD1 TYR A 70 -0.445 3.110 -2.541 1.00 65.41 C ATOM 1066 CD2 TYR A 70 -0.462 5.247 -3.726 1.00 44.20 C ATOM 1067 CE1 TYR A 70 -1.232 3.671 -1.526 1.00 52.32 C ATOM 1068 CE2 TYR A 70 -1.267 5.803 -2.720 1.00 32.05 C ATOM 1069 CZ TYR A 70 -1.633 5.023 -1.602 1.00 53.22 C ATOM 1070 OH TYR A 70 -2.410 5.558 -0.626 1.00 2.15 O ATOM 0 H TYR A 70 1.909 2.173 -6.518 1.00 43.14 H new ATOM 0 HA TYR A 70 -0.423 1.567 -5.036 1.00 15.25 H new ATOM 0 HB2 TYR A 70 1.640 2.768 -4.259 1.00 71.51 H new ATOM 0 HB3 TYR A 70 1.239 4.106 -5.318 1.00 71.51 H new ATOM 0 HD1 TYR A 70 -0.143 2.074 -2.485 1.00 65.41 H new ATOM 0 HD2 TYR A 70 -0.159 5.849 -4.570 1.00 44.20 H new ATOM 0 HE1 TYR A 70 -1.533 3.067 -0.683 1.00 52.32 H new ATOM 0 HE2 TYR A 70 -1.606 6.825 -2.801 1.00 32.05 H new ATOM 0 HH TYR A 70 -2.680 4.854 -0.000 1.00 2.15 H new ATOM 1080 N GLU A 71 -0.785 3.899 -7.355 1.00 73.51 N ATOM 1081 CA GLU A 71 -1.753 4.596 -8.201 1.00 0.32 C ATOM 1082 C GLU A 71 -2.780 3.596 -8.739 1.00 13.22 C ATOM 1083 O GLU A 71 -3.983 3.729 -8.478 1.00 35.33 O ATOM 1084 CB GLU A 71 -1.027 5.297 -9.361 1.00 23.35 C ATOM 1085 CG GLU A 71 -0.214 6.528 -8.937 1.00 24.22 C ATOM 1086 CD GLU A 71 -1.033 7.810 -8.795 1.00 43.14 C ATOM 1087 OE1 GLU A 71 -2.286 7.784 -8.791 1.00 5.14 O ATOM 1088 OE2 GLU A 71 -0.399 8.882 -8.636 1.00 32.53 O ATOM 0 H GLU A 71 0.182 4.115 -7.598 1.00 73.51 H new ATOM 0 HA GLU A 71 -2.272 5.351 -7.610 1.00 0.32 H new ATOM 0 HB2 GLU A 71 -0.360 4.582 -9.843 1.00 23.35 H new ATOM 0 HB3 GLU A 71 -1.763 5.599 -10.106 1.00 23.35 H new ATOM 0 HG2 GLU A 71 0.273 6.316 -7.985 1.00 24.22 H new ATOM 0 HG3 GLU A 71 0.576 6.696 -9.669 1.00 24.22 H new ATOM 1095 N GLY A 72 -2.302 2.562 -9.438 1.00 54.02 N ATOM 1096 CA GLY A 72 -3.109 1.535 -10.083 1.00 32.22 C ATOM 1097 C GLY A 72 -3.967 0.735 -9.101 1.00 61.21 C ATOM 1098 O GLY A 72 -4.978 0.141 -9.494 1.00 0.05 O ATOM 0 H GLY A 72 -1.301 2.416 -9.572 1.00 54.02 H new ATOM 0 HA2 GLY A 72 -3.757 2.004 -10.823 1.00 32.22 H new ATOM 0 HA3 GLY A 72 -2.452 0.852 -10.622 1.00 32.22 H new ATOM 1102 N LEU A 73 -3.606 0.742 -7.816 1.00 15.24 N ATOM 1103 CA LEU A 73 -4.242 -0.064 -6.788 1.00 40.24 C ATOM 1104 C LEU A 73 -5.626 0.417 -6.401 1.00 41.31 C ATOM 1105 O LEU A 73 -6.349 -0.360 -5.786 1.00 23.24 O ATOM 1106 CB LEU A 73 -3.374 -0.085 -5.524 1.00 54.13 C ATOM 1107 CG LEU A 73 -3.308 -1.454 -4.816 1.00 12.31 C ATOM 1108 CD1 LEU A 73 -2.864 -2.612 -5.726 1.00 20.23 C ATOM 1109 CD2 LEU A 73 -2.196 -1.270 -3.777 1.00 0.32 C ATOM 0 H LEU A 73 -2.847 1.323 -7.460 1.00 15.24 H new ATOM 0 HA LEU A 73 -4.347 -1.059 -7.219 1.00 40.24 H new ATOM 0 HB2 LEU A 73 -2.362 0.222 -5.788 1.00 54.13 H new ATOM 0 HB3 LEU A 73 -3.759 0.655 -4.822 1.00 54.13 H new ATOM 0 HG LEU A 73 -4.296 -1.713 -4.437 1.00 12.31 H new ATOM 0 HD11 LEU A 73 -2.844 -3.538 -5.152 1.00 20.23 H new ATOM 0 HD12 LEU A 73 -3.565 -2.713 -6.554 1.00 20.23 H new ATOM 0 HD13 LEU A 73 -1.868 -2.406 -6.117 1.00 20.23 H new ATOM 0 HD21 LEU A 73 -2.068 -2.194 -3.214 1.00 0.32 H new ATOM 0 HD22 LEU A 73 -1.263 -1.020 -4.283 1.00 0.32 H new ATOM 0 HD23 LEU A 73 -2.466 -0.464 -3.094 1.00 0.32 H new ATOM 1121 N MET A 74 -6.015 1.655 -6.725 1.00 73.41 N ATOM 1122 CA MET A 74 -7.340 2.150 -6.365 1.00 12.44 C ATOM 1123 C MET A 74 -8.423 1.228 -6.938 1.00 22.13 C ATOM 1124 O MET A 74 -9.324 0.807 -6.208 1.00 14.53 O ATOM 1125 CB MET A 74 -7.502 3.606 -6.827 1.00 12.11 C ATOM 1126 CG MET A 74 -8.906 4.144 -6.514 1.00 75.13 C ATOM 1127 SD MET A 74 -9.107 5.936 -6.683 1.00 42.52 S ATOM 1128 CE MET A 74 -8.229 6.485 -5.195 1.00 12.42 C ATOM 0 H MET A 74 -5.435 2.324 -7.231 1.00 73.41 H new ATOM 0 HA MET A 74 -7.453 2.141 -5.281 1.00 12.44 H new ATOM 0 HB2 MET A 74 -6.755 4.230 -6.336 1.00 12.11 H new ATOM 0 HB3 MET A 74 -7.317 3.671 -7.899 1.00 12.11 H new ATOM 0 HG2 MET A 74 -9.621 3.652 -7.173 1.00 75.13 H new ATOM 0 HG3 MET A 74 -9.166 3.861 -5.494 1.00 75.13 H new ATOM 0 HE1 MET A 74 -8.389 7.554 -5.052 1.00 12.42 H new ATOM 0 HE2 MET A 74 -8.607 5.942 -4.329 1.00 12.42 H new ATOM 0 HE3 MET A 74 -7.163 6.289 -5.309 1.00 12.42 H new ATOM 1138 N ALA A 75 -8.311 0.889 -8.225 1.00 0.31 N ATOM 1139 CA ALA A 75 -9.283 0.039 -8.889 1.00 61.20 C ATOM 1140 C ALA A 75 -9.221 -1.393 -8.343 1.00 40.13 C ATOM 1141 O ALA A 75 -10.270 -2.000 -8.125 1.00 12.53 O ATOM 1142 CB ALA A 75 -9.044 0.087 -10.401 1.00 12.05 C ATOM 0 H ALA A 75 -7.547 1.197 -8.826 1.00 0.31 H new ATOM 0 HA ALA A 75 -10.289 0.407 -8.687 1.00 61.20 H new ATOM 0 HB1 ALA A 75 -9.771 -0.550 -10.905 1.00 12.05 H new ATOM 0 HB2 ALA A 75 -9.153 1.112 -10.754 1.00 12.05 H new ATOM 0 HB3 ALA A 75 -8.037 -0.267 -10.622 1.00 12.05 H new ATOM 1148 N VAL A 76 -8.017 -1.929 -8.109 1.00 73.50 N ATOM 1149 CA VAL A 76 -7.833 -3.258 -7.523 1.00 3.55 C ATOM 1150 C VAL A 76 -8.527 -3.301 -6.166 1.00 21.42 C ATOM 1151 O VAL A 76 -9.337 -4.191 -5.922 1.00 41.34 O ATOM 1152 CB VAL A 76 -6.335 -3.599 -7.379 1.00 21.55 C ATOM 1153 CG1 VAL A 76 -6.109 -5.011 -6.803 1.00 53.33 C ATOM 1154 CG2 VAL A 76 -5.614 -3.473 -8.728 1.00 52.11 C ATOM 0 H VAL A 76 -7.142 -1.450 -8.322 1.00 73.50 H new ATOM 0 HA VAL A 76 -8.275 -4.004 -8.184 1.00 3.55 H new ATOM 0 HB VAL A 76 -5.918 -2.879 -6.675 1.00 21.55 H new ATOM 0 HG11 VAL A 76 -5.039 -5.204 -6.721 1.00 53.33 H new ATOM 0 HG12 VAL A 76 -6.567 -5.079 -5.816 1.00 53.33 H new ATOM 0 HG13 VAL A 76 -6.561 -5.750 -7.464 1.00 53.33 H new ATOM 0 HG21 VAL A 76 -4.560 -3.718 -8.601 1.00 52.11 H new ATOM 0 HG22 VAL A 76 -6.063 -4.160 -9.446 1.00 52.11 H new ATOM 0 HG23 VAL A 76 -5.707 -2.451 -9.096 1.00 52.11 H new ATOM 1164 N ALA A 77 -8.222 -2.333 -5.297 1.00 73.43 N ATOM 1165 CA ALA A 77 -8.682 -2.286 -3.926 1.00 54.22 C ATOM 1166 C ALA A 77 -10.209 -2.406 -3.897 1.00 32.23 C ATOM 1167 O ALA A 77 -10.770 -3.187 -3.135 1.00 14.54 O ATOM 1168 CB ALA A 77 -8.228 -0.983 -3.263 1.00 33.25 C ATOM 0 H ALA A 77 -7.629 -1.541 -5.546 1.00 73.43 H new ATOM 0 HA ALA A 77 -8.252 -3.118 -3.369 1.00 54.22 H new ATOM 0 HB1 ALA A 77 -8.580 -0.958 -2.232 1.00 33.25 H new ATOM 0 HB2 ALA A 77 -7.139 -0.928 -3.277 1.00 33.25 H new ATOM 0 HB3 ALA A 77 -8.641 -0.134 -3.808 1.00 33.25 H new ATOM 1174 N LYS A 78 -10.878 -1.624 -4.750 1.00 3.41 N ATOM 1175 CA LYS A 78 -12.323 -1.636 -4.915 1.00 35.11 C ATOM 1176 C LYS A 78 -12.827 -2.981 -5.408 1.00 13.44 C ATOM 1177 O LYS A 78 -13.770 -3.488 -4.792 1.00 41.52 O ATOM 1178 CB LYS A 78 -12.739 -0.515 -5.880 1.00 62.01 C ATOM 1179 CG LYS A 78 -12.828 0.834 -5.154 1.00 51.31 C ATOM 1180 CD LYS A 78 -13.539 1.899 -6.003 1.00 20.23 C ATOM 1181 CE LYS A 78 -15.003 1.572 -6.360 1.00 73.01 C ATOM 1182 NZ LYS A 78 -15.860 1.320 -5.182 1.00 31.24 N ATOM 0 H LYS A 78 -10.412 -0.950 -5.357 1.00 3.41 H new ATOM 0 HA LYS A 78 -12.777 -1.464 -3.939 1.00 35.11 H new ATOM 0 HB2 LYS A 78 -12.018 -0.446 -6.695 1.00 62.01 H new ATOM 0 HB3 LYS A 78 -13.704 -0.755 -6.327 1.00 62.01 H new ATOM 0 HG2 LYS A 78 -13.362 0.705 -4.213 1.00 51.31 H new ATOM 0 HG3 LYS A 78 -11.824 1.179 -4.906 1.00 51.31 H new ATOM 0 HD2 LYS A 78 -13.514 2.847 -5.466 1.00 20.23 H new ATOM 0 HD3 LYS A 78 -12.978 2.041 -6.927 1.00 20.23 H new ATOM 0 HE2 LYS A 78 -15.422 2.400 -6.932 1.00 73.01 H new ATOM 0 HE3 LYS A 78 -15.023 0.695 -7.007 1.00 73.01 H new ATOM 0 HZ1 LYS A 78 -16.828 1.107 -5.496 1.00 31.24 H new ATOM 0 HZ2 LYS A 78 -15.484 0.512 -4.646 1.00 31.24 H new ATOM 0 HZ3 LYS A 78 -15.871 2.164 -4.574 1.00 31.24 H new ATOM 1196 N ALA A 79 -12.241 -3.526 -6.478 1.00 72.32 N ATOM 1197 CA ALA A 79 -12.649 -4.816 -7.017 1.00 63.24 C ATOM 1198 C ALA A 79 -12.645 -5.858 -5.905 1.00 32.15 C ATOM 1199 O ALA A 79 -13.663 -6.512 -5.699 1.00 32.15 O ATOM 1200 CB ALA A 79 -11.748 -5.240 -8.183 1.00 51.13 C ATOM 0 H ALA A 79 -11.476 -3.085 -6.988 1.00 72.32 H new ATOM 0 HA ALA A 79 -13.661 -4.729 -7.412 1.00 63.24 H new ATOM 0 HB1 ALA A 79 -12.077 -6.207 -8.564 1.00 51.13 H new ATOM 0 HB2 ALA A 79 -11.808 -4.497 -8.978 1.00 51.13 H new ATOM 0 HB3 ALA A 79 -10.717 -5.319 -7.837 1.00 51.13 H new ATOM 1206 N GLN A 80 -11.545 -5.948 -5.146 1.00 13.53 N ATOM 1207 CA GLN A 80 -11.417 -6.941 -4.089 1.00 23.03 C ATOM 1208 C GLN A 80 -12.551 -6.854 -3.080 1.00 15.12 C ATOM 1209 O GLN A 80 -13.022 -7.867 -2.590 1.00 73.30 O ATOM 1210 CB GLN A 80 -10.107 -6.768 -3.323 1.00 32.25 C ATOM 1211 CG GLN A 80 -8.887 -7.112 -4.173 1.00 40.12 C ATOM 1212 CD GLN A 80 -7.692 -7.374 -3.276 1.00 54.12 C ATOM 1213 OE1 GLN A 80 -7.528 -6.731 -2.241 1.00 72.41 O ATOM 1214 NE2 GLN A 80 -6.839 -8.310 -3.637 1.00 64.44 N ATOM 0 H GLN A 80 -10.733 -5.340 -5.250 1.00 13.53 H new ATOM 0 HA GLN A 80 -11.444 -7.910 -4.588 1.00 23.03 H new ATOM 0 HB2 GLN A 80 -10.026 -5.738 -2.975 1.00 32.25 H new ATOM 0 HB3 GLN A 80 -10.120 -7.403 -2.437 1.00 32.25 H new ATOM 0 HG2 GLN A 80 -9.094 -7.991 -4.784 1.00 40.12 H new ATOM 0 HG3 GLN A 80 -8.667 -6.293 -4.857 1.00 40.12 H new ATOM 0 HE21 GLN A 80 -6.991 -8.834 -4.499 1.00 64.44 H new ATOM 0 HE22 GLN A 80 -6.026 -8.511 -3.055 1.00 64.44 H new ATOM 1223 N LEU A 81 -12.981 -5.653 -2.707 1.00 74.22 N ATOM 1224 CA LEU A 81 -13.933 -5.510 -1.614 1.00 64.21 C ATOM 1225 C LEU A 81 -15.306 -5.998 -2.040 1.00 14.24 C ATOM 1226 O LEU A 81 -16.051 -6.526 -1.213 1.00 41.52 O ATOM 1227 CB LEU A 81 -14.012 -4.029 -1.230 1.00 23.45 C ATOM 1228 CG LEU A 81 -12.749 -3.567 -0.489 1.00 62.23 C ATOM 1229 CD1 LEU A 81 -12.538 -2.076 -0.747 1.00 50.51 C ATOM 1230 CD2 LEU A 81 -12.848 -3.827 1.017 1.00 72.44 C ATOM 0 H LEU A 81 -12.690 -4.776 -3.139 1.00 74.22 H new ATOM 0 HA LEU A 81 -13.603 -6.106 -0.763 1.00 64.21 H new ATOM 0 HB2 LEU A 81 -14.148 -3.427 -2.128 1.00 23.45 H new ATOM 0 HB3 LEU A 81 -14.885 -3.862 -0.600 1.00 23.45 H new ATOM 0 HG LEU A 81 -11.901 -4.139 -0.865 1.00 62.23 H new ATOM 0 HD11 LEU A 81 -11.643 -1.739 -0.224 1.00 50.51 H new ATOM 0 HD12 LEU A 81 -12.419 -1.905 -1.817 1.00 50.51 H new ATOM 0 HD13 LEU A 81 -13.401 -1.518 -0.384 1.00 50.51 H new ATOM 0 HD21 LEU A 81 -11.935 -3.486 1.506 1.00 72.44 H new ATOM 0 HD22 LEU A 81 -13.702 -3.285 1.424 1.00 72.44 H new ATOM 0 HD23 LEU A 81 -12.978 -4.895 1.194 1.00 72.44 H new ATOM 1242 N MET A 82 -15.666 -5.761 -3.298 1.00 74.31 N ATOM 1243 CA MET A 82 -16.919 -6.241 -3.870 1.00 14.12 C ATOM 1244 C MET A 82 -16.833 -7.739 -4.159 1.00 3.35 C ATOM 1245 O MET A 82 -17.832 -8.438 -4.037 1.00 35.33 O ATOM 1246 CB MET A 82 -17.206 -5.442 -5.143 1.00 0.12 C ATOM 1247 CG MET A 82 -17.454 -3.973 -4.798 1.00 41.53 C ATOM 1248 SD MET A 82 -19.063 -3.615 -4.047 1.00 0.35 S ATOM 1249 CE MET A 82 -18.716 -1.955 -3.399 1.00 31.13 C ATOM 0 H MET A 82 -15.093 -5.228 -3.952 1.00 74.31 H new ATOM 0 HA MET A 82 -17.736 -6.096 -3.164 1.00 14.12 H new ATOM 0 HB2 MET A 82 -16.365 -5.525 -5.831 1.00 0.12 H new ATOM 0 HB3 MET A 82 -18.076 -5.856 -5.653 1.00 0.12 H new ATOM 0 HG2 MET A 82 -16.671 -3.640 -4.116 1.00 41.53 H new ATOM 0 HG3 MET A 82 -17.357 -3.382 -5.708 1.00 41.53 H new ATOM 0 HE1 MET A 82 -19.603 -1.568 -2.897 1.00 31.13 H new ATOM 0 HE2 MET A 82 -17.890 -2.007 -2.689 1.00 31.13 H new ATOM 0 HE3 MET A 82 -18.447 -1.292 -4.221 1.00 31.13 H new ATOM 1259 N ASP A 83 -15.642 -8.232 -4.488 1.00 33.24 N ATOM 1260 CA ASP A 83 -15.336 -9.639 -4.679 1.00 20.14 C ATOM 1261 C ASP A 83 -15.428 -10.392 -3.344 1.00 13.11 C ATOM 1262 O ASP A 83 -15.919 -11.517 -3.309 1.00 2.31 O ATOM 1263 CB ASP A 83 -13.943 -9.704 -5.316 1.00 14.52 C ATOM 1264 CG ASP A 83 -13.310 -11.081 -5.279 1.00 22.42 C ATOM 1265 OD1 ASP A 83 -13.875 -12.021 -5.877 1.00 15.25 O ATOM 1266 OD2 ASP A 83 -12.204 -11.203 -4.704 1.00 54.31 O ATOM 0 H ASP A 83 -14.831 -7.631 -4.634 1.00 33.24 H new ATOM 0 HA ASP A 83 -16.053 -10.129 -5.337 1.00 20.14 H new ATOM 0 HB2 ASP A 83 -14.014 -9.376 -6.353 1.00 14.52 H new ATOM 0 HB3 ASP A 83 -13.287 -9.000 -4.803 1.00 14.52 H new ATOM 1271 N GLU A 84 -15.020 -9.777 -2.232 1.00 64.03 N ATOM 1272 CA GLU A 84 -15.125 -10.320 -0.878 1.00 24.15 C ATOM 1273 C GLU A 84 -16.507 -10.100 -0.236 1.00 55.21 C ATOM 1274 O GLU A 84 -16.691 -10.446 0.935 1.00 51.33 O ATOM 1275 CB GLU A 84 -14.083 -9.648 0.031 1.00 35.43 C ATOM 1276 CG GLU A 84 -12.610 -9.978 -0.233 1.00 60.24 C ATOM 1277 CD GLU A 84 -11.817 -10.020 1.075 1.00 20.03 C ATOM 1278 OE1 GLU A 84 -11.868 -9.020 1.829 1.00 62.42 O ATOM 1279 OE2 GLU A 84 -11.124 -11.017 1.371 1.00 42.21 O ATOM 0 H GLU A 84 -14.591 -8.852 -2.252 1.00 64.03 H new ATOM 0 HA GLU A 84 -14.958 -11.393 -0.971 1.00 24.15 H new ATOM 0 HB2 GLU A 84 -14.208 -8.568 -0.052 1.00 35.43 H new ATOM 0 HB3 GLU A 84 -14.310 -9.917 1.063 1.00 35.43 H new ATOM 0 HG2 GLU A 84 -12.534 -10.940 -0.740 1.00 60.24 H new ATOM 0 HG3 GLU A 84 -12.180 -9.231 -0.900 1.00 60.24 H new ATOM 1286 N LEU A 85 -17.449 -9.430 -0.904 1.00 32.34 N ATOM 1287 CA LEU A 85 -18.763 -9.148 -0.329 1.00 44.34 C ATOM 1288 C LEU A 85 -19.555 -10.435 -0.202 1.00 64.13 C ATOM 1289 O LEU A 85 -19.605 -11.197 -1.195 1.00 33.12 O ATOM 1290 CB LEU A 85 -19.507 -8.085 -1.154 1.00 23.44 C ATOM 1291 CG LEU A 85 -20.918 -7.790 -0.610 1.00 40.33 C ATOM 1292 CD1 LEU A 85 -20.849 -7.137 0.773 1.00 42.13 C ATOM 1293 CD2 LEU A 85 -21.688 -6.894 -1.586 1.00 34.03 C ATOM 0 H LEU A 85 -17.323 -9.071 -1.850 1.00 32.34 H new ATOM 0 HA LEU A 85 -18.636 -8.734 0.671 1.00 44.34 H new ATOM 0 HB2 LEU A 85 -18.925 -7.164 -1.161 1.00 23.44 H new ATOM 0 HB3 LEU A 85 -19.584 -8.422 -2.188 1.00 23.44 H new ATOM 0 HG LEU A 85 -21.448 -8.737 -0.510 1.00 40.33 H new ATOM 0 HD11 LEU A 85 -21.859 -6.940 1.133 1.00 42.13 H new ATOM 0 HD12 LEU A 85 -20.341 -7.807 1.467 1.00 42.13 H new ATOM 0 HD13 LEU A 85 -20.298 -6.199 0.705 1.00 42.13 H new ATOM 0 HD21 LEU A 85 -22.683 -6.694 -1.189 1.00 34.03 H new ATOM 0 HD22 LEU A 85 -21.153 -5.953 -1.716 1.00 34.03 H new ATOM 0 HD23 LEU A 85 -21.776 -7.397 -2.549 1.00 34.03 H new TER 1305 LEU A 85