USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 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 NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -85:sc= 0.391 USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= -1.38 (180deg=-3.43!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= -0.0332 (180deg=-0.247) USER MOD Single : A 20 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.002) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= -0.775 (180deg=-1.05) USER MOD Single : A 32 SER OG : rot -34:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.461 -4.886 0.799 1.00 31.30 N ATOM 2 CA GLY A 1 -10.530 -5.731 0.293 1.00 3.35 C ATOM 3 C GLY A 1 -11.372 -6.295 1.439 1.00 62.34 C ATOM 4 O GLY A 1 -11.119 -7.402 1.911 1.00 63.24 O ATOM 0 H1 GLY A 1 -8.904 -4.516 0.002 1.00 31.30 H new ATOM 0 H2 GLY A 1 -9.869 -4.093 1.334 1.00 31.30 H new ATOM 0 H3 GLY A 1 -8.844 -5.444 1.423 1.00 31.30 H new ATOM 0 HA2 GLY A 1 -11.165 -5.156 -0.381 1.00 3.35 H new ATOM 0 HA3 GLY A 1 -10.107 -6.550 -0.289 1.00 3.35 H new ATOM 8 N ILE A 2 -12.354 -5.509 1.853 1.00 22.23 N ATOM 9 CA ILE A 2 -13.235 -5.916 2.934 1.00 41.35 C ATOM 10 C ILE A 2 -14.552 -6.427 2.349 1.00 73.54 C ATOM 11 O ILE A 2 -15.151 -7.362 2.879 1.00 1.21 O ATOM 12 CB ILE A 2 -13.409 -4.778 3.941 1.00 24.22 C ATOM 13 CG1 ILE A 2 -13.819 -3.482 3.239 1.00 71.12 C ATOM 14 CG2 ILE A 2 -12.147 -4.596 4.787 1.00 63.32 C ATOM 15 CD1 ILE A 2 -14.448 -2.498 4.228 1.00 75.24 C ATOM 0 H ILE A 2 -12.559 -4.591 1.459 1.00 22.23 H new ATOM 0 HA ILE A 2 -12.794 -6.741 3.494 1.00 41.35 H new ATOM 0 HB ILE A 2 -14.217 -5.046 4.621 1.00 24.22 H new ATOM 0 HG12 ILE A 2 -12.946 -3.026 2.772 1.00 71.12 H new ATOM 0 HG13 ILE A 2 -14.528 -3.705 2.441 1.00 71.12 H new ATOM 0 HG21 ILE A 2 -12.298 -3.781 5.495 1.00 63.32 H new ATOM 0 HG22 ILE A 2 -11.939 -5.516 5.333 1.00 63.32 H new ATOM 0 HG23 ILE A 2 -11.304 -4.361 4.137 1.00 63.32 H new ATOM 0 HD11 ILE A 2 -14.730 -1.585 3.703 1.00 75.24 H new ATOM 0 HD12 ILE A 2 -15.334 -2.948 4.675 1.00 75.24 H new ATOM 0 HD13 ILE A 2 -13.728 -2.259 5.011 1.00 75.24 H new ATOM 27 N GLY A 3 -14.967 -5.791 1.263 1.00 45.30 N ATOM 28 CA GLY A 3 -16.203 -6.169 0.600 1.00 13.24 C ATOM 29 C GLY A 3 -16.274 -5.575 -0.808 1.00 13.44 C ATOM 30 O GLY A 3 -16.014 -4.387 -0.998 1.00 30.54 O ATOM 0 H GLY A 3 -14.469 -5.016 0.826 1.00 45.30 H new ATOM 0 HA2 GLY A 3 -16.272 -7.255 0.544 1.00 13.24 H new ATOM 0 HA3 GLY A 3 -17.055 -5.825 1.187 1.00 13.24 H new ATOM 34 N ALA A 4 -16.626 -6.426 -1.759 1.00 74.42 N ATOM 35 CA ALA A 4 -16.735 -6.000 -3.143 1.00 74.23 C ATOM 36 C ALA A 4 -17.800 -4.908 -3.255 1.00 3.54 C ATOM 37 O ALA A 4 -17.819 -4.150 -4.224 1.00 24.23 O ATOM 38 CB ALA A 4 -17.046 -7.209 -4.028 1.00 31.32 C ATOM 0 H ALA A 4 -16.840 -7.410 -1.598 1.00 74.42 H new ATOM 0 HA ALA A 4 -15.791 -5.577 -3.488 1.00 74.23 H new ATOM 0 HB1 ALA A 4 -17.128 -6.888 -5.067 1.00 31.32 H new ATOM 0 HB2 ALA A 4 -16.245 -7.942 -3.937 1.00 31.32 H new ATOM 0 HB3 ALA A 4 -17.987 -7.659 -3.712 1.00 31.32 H new ATOM 44 N PHE A 5 -18.661 -4.861 -2.248 1.00 30.52 N ATOM 45 CA PHE A 5 -19.727 -3.873 -2.221 1.00 62.34 C ATOM 46 C PHE A 5 -19.219 -2.534 -1.681 1.00 73.22 C ATOM 47 O PHE A 5 -19.836 -1.495 -1.910 1.00 24.43 O ATOM 48 CB PHE A 5 -20.809 -4.410 -1.282 1.00 33.23 C ATOM 49 CG PHE A 5 -21.099 -5.902 -1.456 1.00 51.41 C ATOM 50 CD1 PHE A 5 -20.675 -6.790 -0.518 1.00 64.54 C ATOM 51 CD2 PHE A 5 -21.779 -6.341 -2.549 1.00 22.35 C ATOM 52 CE1 PHE A 5 -20.943 -8.176 -0.678 1.00 31.22 C ATOM 53 CE2 PHE A 5 -22.048 -7.726 -2.709 1.00 53.00 C ATOM 54 CZ PHE A 5 -21.625 -8.614 -1.771 1.00 42.12 C ATOM 0 H PHE A 5 -18.642 -5.491 -1.446 1.00 30.52 H new ATOM 0 HA PHE A 5 -20.108 -3.707 -3.229 1.00 62.34 H new ATOM 0 HB2 PHE A 5 -20.505 -4.227 -0.251 1.00 33.23 H new ATOM 0 HB3 PHE A 5 -21.729 -3.850 -1.447 1.00 33.23 H new ATOM 0 HD1 PHE A 5 -20.134 -6.442 0.349 1.00 64.54 H new ATOM 0 HD2 PHE A 5 -22.114 -5.636 -3.295 1.00 22.35 H new ATOM 0 HE1 PHE A 5 -20.606 -8.881 0.067 1.00 31.22 H new ATOM 0 HE2 PHE A 5 -22.589 -8.074 -3.577 1.00 53.00 H new ATOM 0 HZ PHE A 5 -21.830 -9.667 -1.893 1.00 42.12 H new ATOM 64 N GLY A 6 -18.101 -2.603 -0.975 1.00 43.43 N ATOM 65 CA GLY A 6 -17.504 -1.409 -0.402 1.00 4.21 C ATOM 66 C GLY A 6 -16.619 -0.692 -1.424 1.00 24.31 C ATOM 67 O GLY A 6 -15.414 -0.556 -1.220 1.00 34.11 O ATOM 0 H GLY A 6 -17.593 -3.467 -0.787 1.00 43.43 H new ATOM 0 HA2 GLY A 6 -18.289 -0.735 -0.059 1.00 4.21 H new ATOM 0 HA3 GLY A 6 -16.911 -1.678 0.472 1.00 4.21 H new ATOM 71 N LEU A 7 -17.253 -0.254 -2.502 1.00 4.14 N ATOM 72 CA LEU A 7 -16.538 0.446 -3.557 1.00 22.51 C ATOM 73 C LEU A 7 -16.256 1.882 -3.110 1.00 1.11 C ATOM 74 O LEU A 7 -15.466 2.586 -3.736 1.00 34.42 O ATOM 75 CB LEU A 7 -17.306 0.353 -4.876 1.00 34.50 C ATOM 76 CG LEU A 7 -16.667 -0.511 -5.964 1.00 73.55 C ATOM 77 CD1 LEU A 7 -17.735 -1.252 -6.773 1.00 52.13 C ATOM 78 CD2 LEU A 7 -15.748 0.323 -6.858 1.00 72.33 C ATOM 0 H LEU A 7 -18.253 -0.370 -2.668 1.00 4.14 H new ATOM 0 HA LEU A 7 -15.573 -0.026 -3.742 1.00 22.51 H new ATOM 0 HB2 LEU A 7 -18.302 -0.038 -4.667 1.00 34.50 H new ATOM 0 HB3 LEU A 7 -17.436 1.361 -5.270 1.00 34.50 H new ATOM 0 HG LEU A 7 -16.047 -1.266 -5.480 1.00 73.55 H new ATOM 0 HD11 LEU A 7 -17.254 -1.859 -7.540 1.00 52.13 H new ATOM 0 HD12 LEU A 7 -18.312 -1.896 -6.110 1.00 52.13 H new ATOM 0 HD13 LEU A 7 -18.400 -0.529 -7.246 1.00 52.13 H new ATOM 0 HD21 LEU A 7 -15.307 -0.316 -7.623 1.00 72.33 H new ATOM 0 HD22 LEU A 7 -16.325 1.115 -7.335 1.00 72.33 H new ATOM 0 HD23 LEU A 7 -14.956 0.765 -6.254 1.00 72.33 H new ATOM 90 N LEU A 8 -16.915 2.273 -2.029 1.00 72.43 N ATOM 91 CA LEU A 8 -16.745 3.611 -1.491 1.00 14.23 C ATOM 92 C LEU A 8 -15.252 3.920 -1.366 1.00 53.53 C ATOM 93 O LEU A 8 -14.846 5.080 -1.423 1.00 70.35 O ATOM 94 CB LEU A 8 -17.516 3.764 -0.179 1.00 33.24 C ATOM 95 CG LEU A 8 -18.867 4.477 -0.274 1.00 64.33 C ATOM 96 CD1 LEU A 8 -19.755 4.129 0.923 1.00 52.40 C ATOM 97 CD2 LEU A 8 -18.680 5.987 -0.430 1.00 11.05 C ATOM 0 H LEU A 8 -17.568 1.685 -1.511 1.00 72.43 H new ATOM 0 HA LEU A 8 -17.169 4.351 -2.170 1.00 14.23 H new ATOM 0 HB2 LEU A 8 -17.680 2.772 0.241 1.00 33.24 H new ATOM 0 HB3 LEU A 8 -16.889 4.309 0.527 1.00 33.24 H new ATOM 0 HG LEU A 8 -19.379 4.123 -1.169 1.00 64.33 H new ATOM 0 HD11 LEU A 8 -20.709 4.648 0.832 1.00 52.40 H new ATOM 0 HD12 LEU A 8 -19.928 3.053 0.947 1.00 52.40 H new ATOM 0 HD13 LEU A 8 -19.261 4.437 1.844 1.00 52.40 H new ATOM 0 HD21 LEU A 8 -19.655 6.470 -0.495 1.00 11.05 H new ATOM 0 HD22 LEU A 8 -18.139 6.378 0.432 1.00 11.05 H new ATOM 0 HD23 LEU A 8 -18.113 6.191 -1.338 1.00 11.05 H new ATOM 109 N GLY A 9 -14.474 2.860 -1.198 1.00 53.30 N ATOM 110 CA GLY A 9 -13.033 3.004 -1.065 1.00 60.34 C ATOM 111 C GLY A 9 -12.345 1.637 -1.060 1.00 55.01 C ATOM 112 O GLY A 9 -11.526 1.353 -0.187 1.00 33.33 O ATOM 0 H GLY A 9 -14.813 1.899 -1.151 1.00 53.30 H new ATOM 0 HA2 GLY A 9 -12.647 3.607 -1.887 1.00 60.34 H new ATOM 0 HA3 GLY A 9 -12.800 3.536 -0.142 1.00 60.34 H new ATOM 116 N PHE A 10 -12.703 0.826 -2.046 1.00 42.51 N ATOM 117 CA PHE A 10 -12.130 -0.504 -2.166 1.00 13.24 C ATOM 118 C PHE A 10 -10.619 -0.430 -2.395 1.00 64.24 C ATOM 119 O PHE A 10 -9.866 -1.236 -1.850 1.00 51.21 O ATOM 120 CB PHE A 10 -12.786 -1.165 -3.380 1.00 53.12 C ATOM 121 CG PHE A 10 -12.263 -2.571 -3.681 1.00 73.42 C ATOM 122 CD1 PHE A 10 -11.028 -2.735 -4.228 1.00 23.33 C ATOM 123 CD2 PHE A 10 -13.032 -3.657 -3.401 1.00 32.22 C ATOM 124 CE1 PHE A 10 -10.543 -4.039 -4.507 1.00 31.53 C ATOM 125 CE2 PHE A 10 -12.547 -4.962 -3.681 1.00 24.41 C ATOM 126 CZ PHE A 10 -11.313 -5.125 -4.228 1.00 70.33 C ATOM 0 H PHE A 10 -13.382 1.065 -2.768 1.00 42.51 H new ATOM 0 HA PHE A 10 -12.305 -1.069 -1.251 1.00 13.24 H new ATOM 0 HB2 PHE A 10 -13.862 -1.216 -3.216 1.00 53.12 H new ATOM 0 HB3 PHE A 10 -12.627 -0.534 -4.255 1.00 53.12 H new ATOM 0 HD1 PHE A 10 -10.417 -1.873 -4.450 1.00 23.33 H new ATOM 0 HD2 PHE A 10 -14.012 -3.527 -2.966 1.00 32.22 H new ATOM 0 HE1 PHE A 10 -9.563 -4.169 -4.941 1.00 31.53 H new ATOM 0 HE2 PHE A 10 -13.158 -5.825 -3.460 1.00 24.41 H new ATOM 0 HZ PHE A 10 -10.944 -6.117 -4.441 1.00 70.33 H new ATOM 136 N LEU A 11 -10.221 0.542 -3.202 1.00 10.11 N ATOM 137 CA LEU A 11 -8.813 0.731 -3.509 1.00 60.25 C ATOM 138 C LEU A 11 -8.112 1.361 -2.304 1.00 60.01 C ATOM 139 O LEU A 11 -7.040 0.913 -1.902 1.00 45.14 O ATOM 140 CB LEU A 11 -8.650 1.531 -4.804 1.00 45.33 C ATOM 141 CG LEU A 11 -8.968 0.782 -6.100 1.00 4.32 C ATOM 142 CD1 LEU A 11 -8.152 -0.508 -6.202 1.00 2.33 C ATOM 143 CD2 LEU A 11 -10.470 0.522 -6.227 1.00 53.23 C ATOM 0 H LEU A 11 -10.849 1.207 -3.653 1.00 10.11 H new ATOM 0 HA LEU A 11 -8.331 -0.229 -3.692 1.00 60.25 H new ATOM 0 HB2 LEU A 11 -9.293 2.409 -4.748 1.00 45.33 H new ATOM 0 HB3 LEU A 11 -7.623 1.891 -4.858 1.00 45.33 H new ATOM 0 HG LEU A 11 -8.678 1.413 -6.940 1.00 4.32 H new ATOM 0 HD11 LEU A 11 -8.397 -1.021 -7.132 1.00 2.33 H new ATOM 0 HD12 LEU A 11 -7.089 -0.268 -6.189 1.00 2.33 H new ATOM 0 HD13 LEU A 11 -8.388 -1.156 -5.358 1.00 2.33 H new ATOM 0 HD21 LEU A 11 -10.670 -0.011 -7.156 1.00 53.23 H new ATOM 0 HD22 LEU A 11 -10.808 -0.080 -5.383 1.00 53.23 H new ATOM 0 HD23 LEU A 11 -11.005 1.472 -6.232 1.00 53.23 H new ATOM 155 N ALA A 12 -8.747 2.390 -1.762 1.00 62.04 N ATOM 156 CA ALA A 12 -8.198 3.085 -0.611 1.00 21.03 C ATOM 157 C ALA A 12 -8.139 2.127 0.580 1.00 52.02 C ATOM 158 O ALA A 12 -7.293 2.274 1.460 1.00 12.12 O ATOM 159 CB ALA A 12 -9.039 4.330 -0.317 1.00 43.33 C ATOM 0 H ALA A 12 -9.636 2.759 -2.099 1.00 62.04 H new ATOM 0 HA ALA A 12 -7.181 3.419 -0.815 1.00 21.03 H new ATOM 0 HB1 ALA A 12 -8.627 4.852 0.547 1.00 43.33 H new ATOM 0 HB2 ALA A 12 -9.023 4.992 -1.182 1.00 43.33 H new ATOM 0 HB3 ALA A 12 -10.066 4.034 -0.106 1.00 43.33 H new ATOM 165 N ALA A 13 -9.050 1.164 0.569 1.00 10.44 N ATOM 166 CA ALA A 13 -9.113 0.181 1.637 1.00 52.15 C ATOM 167 C ALA A 13 -8.009 -0.859 1.432 1.00 11.25 C ATOM 168 O ALA A 13 -7.333 -1.247 2.384 1.00 74.31 O ATOM 169 CB ALA A 13 -10.507 -0.447 1.670 1.00 62.43 C ATOM 0 H ALA A 13 -9.750 1.044 -0.163 1.00 10.44 H new ATOM 0 HA ALA A 13 -8.945 0.653 2.605 1.00 52.15 H new ATOM 0 HB1 ALA A 13 -10.555 -1.185 2.471 1.00 62.43 H new ATOM 0 HB2 ALA A 13 -11.252 0.329 1.846 1.00 62.43 H new ATOM 0 HB3 ALA A 13 -10.709 -0.934 0.716 1.00 62.43 H new ATOM 175 N GLY A 14 -7.861 -1.281 0.184 1.00 3.41 N ATOM 176 CA GLY A 14 -6.851 -2.268 -0.156 1.00 34.14 C ATOM 177 C GLY A 14 -5.454 -1.780 0.231 1.00 42.10 C ATOM 178 O GLY A 14 -4.603 -2.574 0.628 1.00 5.31 O ATOM 0 H GLY A 14 -8.424 -0.957 -0.603 1.00 3.41 H new ATOM 0 HA2 GLY A 14 -7.067 -3.206 0.356 1.00 34.14 H new ATOM 0 HA3 GLY A 14 -6.885 -2.474 -1.226 1.00 34.14 H new ATOM 182 N SER A 15 -5.261 -0.475 0.103 1.00 12.40 N ATOM 183 CA SER A 15 -3.981 0.128 0.435 1.00 24.33 C ATOM 184 C SER A 15 -3.615 -0.187 1.886 1.00 60.11 C ATOM 185 O SER A 15 -2.453 -0.077 2.275 1.00 24.41 O ATOM 186 CB SER A 15 -4.012 1.642 0.213 1.00 73.15 C ATOM 187 OG SER A 15 -4.272 2.353 1.419 1.00 3.03 O ATOM 0 H SER A 15 -5.969 0.181 -0.226 1.00 12.40 H new ATOM 0 HA SER A 15 -3.223 -0.294 -0.224 1.00 24.33 H new ATOM 0 HB2 SER A 15 -3.058 1.967 -0.201 1.00 73.15 H new ATOM 0 HB3 SER A 15 -4.778 1.885 -0.523 1.00 73.15 H new ATOM 0 HG SER A 15 -5.240 2.408 1.564 1.00 3.03 H new ATOM 193 N LYS A 16 -4.628 -0.575 2.648 1.00 64.21 N ATOM 194 CA LYS A 16 -4.427 -0.907 4.048 1.00 54.40 C ATOM 195 C LYS A 16 -3.378 -2.015 4.159 1.00 51.45 C ATOM 196 O LYS A 16 -2.773 -2.200 5.214 1.00 12.02 O ATOM 197 CB LYS A 16 -5.760 -1.255 4.713 1.00 21.50 C ATOM 198 CG LYS A 16 -6.212 -2.666 4.332 1.00 40.23 C ATOM 199 CD LYS A 16 -5.924 -3.657 5.461 1.00 70.41 C ATOM 200 CE LYS A 16 -6.791 -3.360 6.686 1.00 33.13 C ATOM 201 NZ LYS A 16 -6.055 -2.509 7.647 1.00 53.11 N ATOM 0 H LYS A 16 -5.590 -0.667 2.322 1.00 64.21 H new ATOM 0 HA LYS A 16 -4.041 -0.045 4.592 1.00 54.40 H new ATOM 0 HB2 LYS A 16 -5.660 -1.181 5.796 1.00 21.50 H new ATOM 0 HB3 LYS A 16 -6.519 -0.533 4.413 1.00 21.50 H new ATOM 0 HG2 LYS A 16 -7.279 -2.662 4.110 1.00 40.23 H new ATOM 0 HG3 LYS A 16 -5.699 -2.984 3.425 1.00 40.23 H new ATOM 0 HD2 LYS A 16 -6.113 -4.673 5.115 1.00 70.41 H new ATOM 0 HD3 LYS A 16 -4.870 -3.605 5.735 1.00 70.41 H new ATOM 0 HE2 LYS A 16 -7.709 -2.860 6.377 1.00 33.13 H new ATOM 0 HE3 LYS A 16 -7.083 -4.293 7.167 1.00 33.13 H new ATOM 0 HZ1 LYS A 16 -6.055 -2.963 8.583 1.00 53.11 H new ATOM 0 HZ2 LYS A 16 -5.075 -2.386 7.322 1.00 53.11 H new ATOM 0 HZ3 LYS A 16 -6.517 -1.580 7.713 1.00 53.11 H new ATOM 214 N LYS A 17 -3.193 -2.725 3.054 1.00 5.33 N ATOM 215 CA LYS A 17 -2.227 -3.809 3.015 1.00 61.32 C ATOM 216 C LYS A 17 -1.289 -3.606 1.823 1.00 60.25 C ATOM 217 O LYS A 17 -0.086 -3.420 2.001 1.00 32.20 O ATOM 218 CB LYS A 17 -2.940 -5.162 3.012 1.00 23.40 C ATOM 219 CG LYS A 17 -3.058 -5.722 4.432 1.00 73.20 C ATOM 220 CD LYS A 17 -1.849 -6.593 4.779 1.00 11.25 C ATOM 221 CE LYS A 17 -1.054 -5.989 5.938 1.00 45.32 C ATOM 222 NZ LYS A 17 -1.783 -6.165 7.215 1.00 75.31 N ATOM 0 H LYS A 17 -3.696 -2.570 2.180 1.00 5.33 H new ATOM 0 HA LYS A 17 -1.610 -3.802 3.913 1.00 61.32 H new ATOM 0 HB2 LYS A 17 -3.933 -5.053 2.576 1.00 23.40 H new ATOM 0 HB3 LYS A 17 -2.392 -5.865 2.384 1.00 23.40 H new ATOM 0 HG2 LYS A 17 -3.136 -4.901 5.145 1.00 73.20 H new ATOM 0 HG3 LYS A 17 -3.972 -6.310 4.520 1.00 73.20 H new ATOM 0 HD2 LYS A 17 -2.183 -7.596 5.046 1.00 11.25 H new ATOM 0 HD3 LYS A 17 -1.206 -6.693 3.905 1.00 11.25 H new ATOM 0 HE2 LYS A 17 -0.076 -6.465 6.003 1.00 45.32 H new ATOM 0 HE3 LYS A 17 -0.881 -4.929 5.754 1.00 45.32 H new ATOM 0 HZ1 LYS A 17 -1.229 -5.749 7.991 1.00 75.31 H new ATOM 0 HZ2 LYS A 17 -2.707 -5.690 7.156 1.00 75.31 H new ATOM 0 HZ3 LYS A 17 -1.926 -7.179 7.396 1.00 75.31 H new HETATM 235 C1 ACA A 18 -0.191 -3.400 -6.075 1.00 74.13 C HETATM 236 O1 ACA A 18 0.979 -3.773 -6.140 1.00 52.32 O HETATM 237 C2 ACA A 18 -0.412 -3.355 -4.613 1.00 23.10 C HETATM 238 C3 ACA A 18 -1.140 -4.616 -4.142 1.00 14.44 C HETATM 239 C4 ACA A 18 -0.866 -4.886 -2.661 1.00 33.54 C HETATM 240 C5 ACA A 18 -1.836 -4.103 -1.774 1.00 3.34 C HETATM 241 C6 ACA A 18 -1.105 -3.475 -0.584 1.00 34.23 C HETATM 242 N6 ACA A 18 -1.874 -3.651 0.636 1.00 70.53 N HETATM 0 HN61 ACA A 18 -2.769 -4.140 0.609 1.00 70.53 H new HETATM 0 H62 ACA A 18 -0.122 -3.933 -0.471 1.00 34.23 H new HETATM 0 H61 ACA A 18 -0.943 -2.413 -0.769 1.00 34.23 H new HETATM 0 H52 ACA A 18 -2.322 -3.323 -2.360 1.00 3.34 H new HETATM 0 H51 ACA A 18 -2.622 -4.767 -1.414 1.00 3.34 H new HETATM 0 H42 ACA A 18 -0.962 -5.953 -2.458 1.00 33.54 H new HETATM 0 H41 ACA A 18 0.160 -4.606 -2.420 1.00 33.54 H new HETATM 0 H32 ACA A 18 -2.212 -4.503 -4.302 1.00 14.44 H new HETATM 0 H31 ACA A 18 -0.817 -5.470 -4.737 1.00 14.44 H new HETATM 0 H22 ACA A 18 0.544 -3.266 -4.097 1.00 23.10 H new HETATM 0 H21 ACA A 18 -0.997 -2.472 -4.355 1.00 23.10 H new ATOM 254 N LYS A 19 -1.199 -3.977 -6.714 1.00 44.23 N ATOM 255 CA LYS A 19 -0.981 -5.135 -7.564 1.00 23.23 C ATOM 256 C LYS A 19 0.019 -4.774 -8.664 1.00 4.34 C ATOM 257 O LYS A 19 1.218 -5.011 -8.521 1.00 63.42 O ATOM 258 CB LYS A 19 -2.313 -5.667 -8.096 1.00 22.00 C ATOM 259 CG LYS A 19 -2.094 -6.852 -9.039 1.00 40.30 C ATOM 260 CD LYS A 19 -2.906 -8.068 -8.590 1.00 43.45 C ATOM 261 CE LYS A 19 -2.600 -8.425 -7.134 1.00 12.22 C ATOM 262 NZ LYS A 19 -3.810 -8.265 -6.296 1.00 13.41 N ATOM 0 HA LYS A 19 -0.544 -5.952 -6.990 1.00 23.23 H new ATOM 0 HB2 LYS A 19 -2.945 -5.973 -7.262 1.00 22.00 H new ATOM 0 HB3 LYS A 19 -2.842 -4.872 -8.622 1.00 22.00 H new ATOM 0 HG2 LYS A 19 -2.381 -6.573 -10.053 1.00 40.30 H new ATOM 0 HG3 LYS A 19 -1.035 -7.108 -9.067 1.00 40.30 H new ATOM 0 HD2 LYS A 19 -3.970 -7.860 -8.701 1.00 43.45 H new ATOM 0 HD3 LYS A 19 -2.679 -8.919 -9.232 1.00 43.45 H new ATOM 0 HE2 LYS A 19 -2.241 -9.452 -7.073 1.00 12.22 H new ATOM 0 HE3 LYS A 19 -1.802 -7.786 -6.757 1.00 12.22 H new ATOM 0 HZ1 LYS A 19 -3.529 -8.057 -5.317 1.00 13.41 H new ATOM 0 HZ2 LYS A 19 -4.386 -7.482 -6.665 1.00 13.41 H new ATOM 0 HZ3 LYS A 19 -4.366 -9.144 -6.317 1.00 13.41 H new ATOM 275 N ASN A 20 -0.510 -4.204 -9.737 1.00 24.20 N ATOM 276 CA ASN A 20 0.322 -3.807 -10.861 1.00 61.23 C ATOM 277 C ASN A 20 1.036 -2.497 -10.523 1.00 54.33 C ATOM 278 O ASN A 20 0.528 -1.691 -9.744 1.00 72.24 O ATOM 279 CB ASN A 20 -0.523 -3.576 -12.116 1.00 1.40 C ATOM 280 CG ASN A 20 -1.450 -4.764 -12.381 1.00 44.54 C ATOM 281 OD1 ASN A 20 -1.025 -5.841 -12.764 1.00 64.24 O ATOM 282 ND2 ASN A 20 -2.735 -4.508 -12.155 1.00 4.53 N ATOM 0 H ASN A 20 -1.504 -4.008 -9.852 1.00 24.20 H new ATOM 0 HA ASN A 20 1.038 -4.606 -11.051 1.00 61.23 H new ATOM 0 HB2 ASN A 20 -1.115 -2.668 -11.998 1.00 1.40 H new ATOM 0 HB3 ASN A 20 0.130 -3.422 -12.975 1.00 1.40 H new ATOM 0 HD21 ASN A 20 -3.434 -5.237 -12.302 1.00 4.53 H new ATOM 0 HD22 ASN A 20 -3.022 -3.583 -11.835 1.00 4.53 H new ATOM 289 N GLU A 21 2.203 -2.325 -11.126 1.00 42.32 N ATOM 290 CA GLU A 21 2.993 -1.126 -10.899 1.00 41.05 C ATOM 291 C GLU A 21 2.159 0.122 -11.190 1.00 35.24 C ATOM 292 O GLU A 21 2.314 1.147 -10.528 1.00 40.02 O ATOM 293 CB GLU A 21 4.270 -1.143 -11.742 1.00 20.20 C ATOM 294 CG GLU A 21 3.941 -1.090 -13.235 1.00 62.13 C ATOM 295 CD GLU A 21 4.958 -1.893 -14.048 1.00 55.53 C ATOM 296 OE1 GLU A 21 5.769 -1.306 -14.782 1.00 24.32 O ATOM 297 OE2 GLU A 21 4.889 -3.172 -13.900 1.00 63.34 O ATOM 0 H GLU A 21 2.621 -2.995 -11.771 1.00 42.32 H new ATOM 0 HA GLU A 21 3.290 -1.103 -9.851 1.00 41.05 H new ATOM 0 HB2 GLU A 21 4.898 -0.294 -11.474 1.00 20.20 H new ATOM 0 HB3 GLU A 21 4.842 -2.045 -11.524 1.00 20.20 H new ATOM 0 HG2 GLU A 21 2.940 -1.486 -13.405 1.00 62.13 H new ATOM 0 HG3 GLU A 21 3.936 -0.054 -13.574 1.00 62.13 H new ATOM 305 N GLN A 22 1.291 -0.004 -12.184 1.00 15.40 N ATOM 306 CA GLN A 22 0.432 1.101 -12.573 1.00 4.32 C ATOM 307 C GLN A 22 -0.092 1.827 -11.332 1.00 21.44 C ATOM 308 O GLN A 22 -0.025 3.053 -11.251 1.00 44.11 O ATOM 309 CB GLN A 22 -0.722 0.616 -13.453 1.00 45.14 C ATOM 310 CG GLN A 22 -0.707 1.318 -14.812 1.00 74.10 C ATOM 311 CD GLN A 22 -1.598 0.585 -15.818 1.00 44.00 C ATOM 312 OE1 GLN A 22 -2.411 -0.255 -15.468 1.00 53.23 O ATOM 313 NE2 GLN A 22 -1.400 0.948 -17.081 1.00 32.15 N ATOM 0 H GLN A 22 1.165 -0.855 -12.732 1.00 15.40 H new ATOM 0 HA GLN A 22 1.022 1.805 -13.161 1.00 4.32 H new ATOM 0 HB2 GLN A 22 -0.647 -0.462 -13.596 1.00 45.14 H new ATOM 0 HB3 GLN A 22 -1.671 0.806 -12.952 1.00 45.14 H new ATOM 0 HG2 GLN A 22 -1.051 2.346 -14.698 1.00 74.10 H new ATOM 0 HG3 GLN A 22 0.314 1.363 -15.191 1.00 74.10 H new ATOM 0 HE21 GLN A 22 -0.703 1.658 -17.304 1.00 32.15 H new ATOM 0 HE22 GLN A 22 -1.945 0.516 -17.827 1.00 32.15 H new ATOM 322 N GLU A 23 -0.604 1.040 -10.397 1.00 2.34 N ATOM 323 CA GLU A 23 -1.140 1.593 -9.164 1.00 54.50 C ATOM 324 C GLU A 23 -0.155 2.597 -8.561 1.00 32.14 C ATOM 325 O GLU A 23 -0.545 3.699 -8.178 1.00 44.35 O ATOM 326 CB GLU A 23 -1.472 0.483 -8.165 1.00 75.40 C ATOM 327 CG GLU A 23 -2.680 0.863 -7.306 1.00 32.12 C ATOM 328 CD GLU A 23 -3.853 -0.086 -7.560 1.00 62.21 C ATOM 329 OE1 GLU A 23 -4.458 -0.594 -6.604 1.00 23.24 O ATOM 330 OE2 GLU A 23 -4.131 -0.291 -8.803 1.00 44.13 O ATOM 0 H GLU A 23 -0.659 0.024 -10.468 1.00 2.34 H new ATOM 0 HA GLU A 23 -2.067 2.117 -9.396 1.00 54.50 H new ATOM 0 HB2 GLU A 23 -1.679 -0.443 -8.701 1.00 75.40 H new ATOM 0 HB3 GLU A 23 -0.610 0.295 -7.525 1.00 75.40 H new ATOM 0 HG2 GLU A 23 -2.405 0.833 -6.252 1.00 32.12 H new ATOM 0 HG3 GLU A 23 -2.981 1.887 -7.528 1.00 32.12 H new ATOM 338 N LEU A 24 1.101 2.180 -8.496 1.00 72.40 N ATOM 339 CA LEU A 24 2.144 3.029 -7.945 1.00 11.15 C ATOM 340 C LEU A 24 2.097 4.396 -8.631 1.00 75.32 C ATOM 341 O LEU A 24 2.061 5.428 -7.964 1.00 34.44 O ATOM 342 CB LEU A 24 3.505 2.338 -8.044 1.00 40.14 C ATOM 343 CG LEU A 24 4.307 2.249 -6.744 1.00 52.44 C ATOM 344 CD1 LEU A 24 4.863 3.618 -6.348 1.00 60.30 C ATOM 345 CD2 LEU A 24 3.471 1.624 -5.626 1.00 45.45 C ATOM 0 H LEU A 24 1.420 1.265 -8.816 1.00 72.40 H new ATOM 0 HA LEU A 24 1.975 3.199 -6.882 1.00 11.15 H new ATOM 0 HB2 LEU A 24 3.351 1.328 -8.423 1.00 40.14 H new ATOM 0 HB3 LEU A 24 4.106 2.867 -8.783 1.00 40.14 H new ATOM 0 HG LEU A 24 5.160 1.592 -6.913 1.00 52.44 H new ATOM 0 HD11 LEU A 24 5.429 3.527 -5.421 1.00 60.30 H new ATOM 0 HD12 LEU A 24 5.518 3.987 -7.138 1.00 60.30 H new ATOM 0 HD13 LEU A 24 4.039 4.317 -6.203 1.00 60.30 H new ATOM 0 HD21 LEU A 24 4.065 1.572 -4.713 1.00 45.45 H new ATOM 0 HD22 LEU A 24 2.586 2.235 -5.449 1.00 45.45 H new ATOM 0 HD23 LEU A 24 3.166 0.619 -5.918 1.00 45.45 H new ATOM 357 N LEU A 25 2.100 4.359 -9.956 1.00 72.42 N ATOM 358 CA LEU A 25 2.058 5.582 -10.739 1.00 72.43 C ATOM 359 C LEU A 25 0.794 6.366 -10.385 1.00 22.42 C ATOM 360 O LEU A 25 0.748 7.585 -10.550 1.00 51.15 O ATOM 361 CB LEU A 25 2.188 5.267 -12.231 1.00 51.42 C ATOM 362 CG LEU A 25 3.503 4.616 -12.667 1.00 44.30 C ATOM 363 CD1 LEU A 25 4.596 4.833 -11.618 1.00 53.21 C ATOM 364 CD2 LEU A 25 3.301 3.133 -12.986 1.00 54.12 C ATOM 0 H LEU A 25 2.131 3.501 -10.507 1.00 72.42 H new ATOM 0 HA LEU A 25 2.908 6.220 -10.495 1.00 72.43 H new ATOM 0 HB2 LEU A 25 1.368 4.608 -12.516 1.00 51.42 H new ATOM 0 HB3 LEU A 25 2.062 6.194 -12.790 1.00 51.42 H new ATOM 0 HG LEU A 25 3.837 5.100 -13.585 1.00 44.30 H new ATOM 0 HD11 LEU A 25 5.520 4.361 -11.952 1.00 53.21 H new ATOM 0 HD12 LEU A 25 4.763 5.902 -11.482 1.00 53.21 H new ATOM 0 HD13 LEU A 25 4.285 4.391 -10.671 1.00 53.21 H new ATOM 0 HD21 LEU A 25 4.250 2.694 -13.293 1.00 54.12 H new ATOM 0 HD22 LEU A 25 2.933 2.617 -12.099 1.00 54.12 H new ATOM 0 HD23 LEU A 25 2.576 3.030 -13.793 1.00 54.12 H new ATOM 376 N GLU A 26 -0.202 5.637 -9.904 1.00 74.54 N ATOM 377 CA GLU A 26 -1.464 6.249 -9.525 1.00 2.10 C ATOM 378 C GLU A 26 -1.263 7.180 -8.327 1.00 13.20 C ATOM 379 O GLU A 26 -1.827 8.272 -8.285 1.00 5.11 O ATOM 380 CB GLU A 26 -2.521 5.186 -9.221 1.00 73.34 C ATOM 381 CG GLU A 26 -3.905 5.638 -9.691 1.00 41.22 C ATOM 382 CD GLU A 26 -5.007 4.807 -9.031 1.00 71.04 C ATOM 383 OE1 GLU A 26 -5.686 5.293 -8.114 1.00 40.11 O ATOM 384 OE2 GLU A 26 -5.147 3.615 -9.503 1.00 70.24 O ATOM 0 H GLU A 26 -0.160 4.627 -9.768 1.00 74.54 H new ATOM 0 HA GLU A 26 -1.824 6.842 -10.366 1.00 2.10 H new ATOM 0 HB2 GLU A 26 -2.253 4.251 -9.713 1.00 73.34 H new ATOM 0 HB3 GLU A 26 -2.544 4.987 -8.150 1.00 73.34 H new ATOM 0 HG2 GLU A 26 -4.047 6.692 -9.453 1.00 41.22 H new ATOM 0 HG3 GLU A 26 -3.974 5.544 -10.775 1.00 41.22 H new ATOM 392 N LEU A 27 -0.458 6.713 -7.384 1.00 12.44 N ATOM 393 CA LEU A 27 -0.176 7.491 -6.189 1.00 54.42 C ATOM 394 C LEU A 27 0.843 8.581 -6.524 1.00 53.44 C ATOM 395 O LEU A 27 0.864 9.634 -5.888 1.00 33.13 O ATOM 396 CB LEU A 27 0.258 6.574 -5.044 1.00 3.14 C ATOM 397 CG LEU A 27 -0.812 5.624 -4.502 1.00 51.22 C ATOM 398 CD1 LEU A 27 -1.325 6.096 -3.140 1.00 12.24 C ATOM 399 CD2 LEU A 27 -1.948 5.445 -5.512 1.00 10.21 C ATOM 0 H LEU A 27 0.008 5.806 -7.423 1.00 12.44 H new ATOM 0 HA LEU A 27 -1.078 7.994 -5.840 1.00 54.42 H new ATOM 0 HB2 LEU A 27 1.106 5.979 -5.383 1.00 3.14 H new ATOM 0 HB3 LEU A 27 0.614 7.196 -4.222 1.00 3.14 H new ATOM 0 HG LEU A 27 -0.356 4.645 -4.353 1.00 51.22 H new ATOM 0 HD11 LEU A 27 -2.084 5.403 -2.777 1.00 12.24 H new ATOM 0 HD12 LEU A 27 -0.497 6.131 -2.432 1.00 12.24 H new ATOM 0 HD13 LEU A 27 -1.759 7.091 -3.240 1.00 12.24 H new ATOM 0 HD21 LEU A 27 -2.695 4.765 -5.102 1.00 10.21 H new ATOM 0 HD22 LEU A 27 -2.409 6.411 -5.716 1.00 10.21 H new ATOM 0 HD23 LEU A 27 -1.550 5.031 -6.438 1.00 10.21 H new ATOM 411 N ASP A 28 1.666 8.292 -7.523 1.00 23.11 N ATOM 412 CA ASP A 28 2.685 9.234 -7.950 1.00 1.41 C ATOM 413 C ASP A 28 2.012 10.507 -8.467 1.00 1.33 C ATOM 414 O ASP A 28 2.639 11.564 -8.527 1.00 11.01 O ATOM 415 CB ASP A 28 3.533 8.654 -9.083 1.00 73.30 C ATOM 416 CG ASP A 28 4.990 9.117 -9.106 1.00 5.54 C ATOM 417 OD1 ASP A 28 5.390 9.929 -9.953 1.00 1.12 O ATOM 418 OD2 ASP A 28 5.739 8.602 -8.190 1.00 12.43 O ATOM 0 H ASP A 28 1.647 7.418 -8.048 1.00 23.11 H new ATOM 0 HA ASP A 28 3.325 9.448 -7.094 1.00 1.41 H new ATOM 0 HB2 ASP A 28 3.515 7.567 -9.009 1.00 73.30 H new ATOM 0 HB3 ASP A 28 3.070 8.917 -10.034 1.00 73.30 H new ATOM 424 N LYS A 29 0.745 10.365 -8.828 1.00 44.24 N ATOM 425 CA LYS A 29 -0.019 11.490 -9.338 1.00 64.33 C ATOM 426 C LYS A 29 -0.462 12.372 -8.168 1.00 75.11 C ATOM 427 O LYS A 29 -1.114 13.395 -8.370 1.00 51.23 O ATOM 428 CB LYS A 29 -1.176 11.000 -10.210 1.00 60.43 C ATOM 429 CG LYS A 29 -0.660 10.400 -11.520 1.00 1.41 C ATOM 430 CD LYS A 29 -0.363 11.497 -12.545 1.00 60.02 C ATOM 431 CE LYS A 29 -0.088 10.896 -13.926 1.00 65.11 C ATOM 432 NZ LYS A 29 0.043 9.425 -13.834 1.00 1.31 N ATOM 0 H LYS A 29 0.228 9.487 -8.777 1.00 44.24 H new ATOM 0 HA LYS A 29 0.600 12.108 -9.988 1.00 64.33 H new ATOM 0 HB2 LYS A 29 -1.754 10.253 -9.667 1.00 60.43 H new ATOM 0 HB3 LYS A 29 -1.850 11.829 -10.426 1.00 60.43 H new ATOM 0 HG2 LYS A 29 0.244 9.822 -11.328 1.00 1.41 H new ATOM 0 HG3 LYS A 29 -1.400 9.710 -11.925 1.00 1.41 H new ATOM 0 HD2 LYS A 29 -1.208 12.183 -12.604 1.00 60.02 H new ATOM 0 HD3 LYS A 29 0.499 12.080 -12.220 1.00 60.02 H new ATOM 0 HE2 LYS A 29 -0.898 11.153 -14.609 1.00 65.11 H new ATOM 0 HE3 LYS A 29 0.825 11.323 -14.340 1.00 65.11 H new ATOM 0 HZ1 LYS A 29 0.378 9.049 -14.744 1.00 1.31 H new ATOM 0 HZ2 LYS A 29 0.725 9.183 -13.087 1.00 1.31 H new ATOM 0 HZ3 LYS A 29 -0.882 9.008 -13.607 1.00 1.31 H new ATOM 445 N TRP A 30 -0.089 11.943 -6.972 1.00 24.45 N ATOM 446 CA TRP A 30 -0.439 12.681 -5.770 1.00 20.33 C ATOM 447 C TRP A 30 -0.255 14.172 -6.060 1.00 13.54 C ATOM 448 O TRP A 30 -1.186 14.959 -5.899 1.00 15.13 O ATOM 449 CB TRP A 30 0.380 12.199 -4.571 1.00 54.40 C ATOM 450 CG TRP A 30 -0.265 11.048 -3.799 1.00 23.51 C ATOM 451 CD1 TRP A 30 0.293 9.886 -3.429 1.00 11.43 C ATOM 452 CD2 TRP A 30 -1.623 10.993 -3.312 1.00 41.21 C ATOM 453 NE1 TRP A 30 -0.602 9.090 -2.743 1.00 2.53 N ATOM 454 CE2 TRP A 30 -1.804 9.785 -2.669 1.00 10.45 C ATOM 455 CE3 TRP A 30 -2.663 11.933 -3.411 1.00 23.22 C ATOM 456 CZ2 TRP A 30 -3.014 9.406 -2.076 1.00 41.35 C ATOM 457 CZ3 TRP A 30 -3.866 11.539 -2.813 1.00 23.43 C ATOM 458 CH2 TRP A 30 -4.065 10.327 -2.162 1.00 14.11 C ATOM 0 H TRP A 30 0.452 11.094 -6.809 1.00 24.45 H new ATOM 0 HA TRP A 30 -1.480 12.505 -5.499 1.00 20.33 H new ATOM 0 HB2 TRP A 30 1.363 11.883 -4.919 1.00 54.40 H new ATOM 0 HB3 TRP A 30 0.537 13.036 -3.891 1.00 54.40 H new ATOM 0 HD1 TRP A 30 1.315 9.608 -3.641 1.00 11.43 H new ATOM 0 HE1 TRP A 30 -0.416 8.163 -2.361 1.00 2.53 H new ATOM 0 HE3 TRP A 30 -2.544 12.884 -3.909 1.00 23.22 H new ATOM 0 HZ2 TRP A 30 -3.131 8.454 -1.579 1.00 41.35 H new ATOM 0 HZ3 TRP A 30 -4.698 12.225 -2.861 1.00 23.43 H new ATOM 0 HH2 TRP A 30 -5.025 10.097 -1.725 1.00 14.11 H new ATOM 469 N ALA A 31 0.953 14.514 -6.482 1.00 12.34 N ATOM 470 CA ALA A 31 1.272 15.897 -6.796 1.00 74.22 C ATOM 471 C ALA A 31 0.350 16.387 -7.915 1.00 1.21 C ATOM 472 O ALA A 31 -0.188 17.491 -7.841 1.00 74.12 O ATOM 473 CB ALA A 31 2.752 16.008 -7.170 1.00 64.42 C ATOM 0 H ALA A 31 1.723 13.858 -6.614 1.00 12.34 H new ATOM 0 HA ALA A 31 1.106 16.535 -5.928 1.00 74.22 H new ATOM 0 HB1 ALA A 31 2.991 17.045 -7.405 1.00 64.42 H new ATOM 0 HB2 ALA A 31 3.365 15.676 -6.332 1.00 64.42 H new ATOM 0 HB3 ALA A 31 2.956 15.382 -8.039 1.00 64.42 H new ATOM 479 N SER A 32 0.197 15.543 -8.925 1.00 44.22 N ATOM 480 CA SER A 32 -0.650 15.876 -10.057 1.00 23.12 C ATOM 481 C SER A 32 -1.910 16.598 -9.574 1.00 62.35 C ATOM 482 O SER A 32 -2.478 17.414 -10.297 1.00 12.13 O ATOM 483 CB SER A 32 -1.028 14.623 -10.850 1.00 31.15 C ATOM 484 OG SER A 32 -1.444 14.936 -12.176 1.00 54.45 O ATOM 0 H SER A 32 0.646 14.629 -8.983 1.00 44.22 H new ATOM 0 HA SER A 32 -0.091 16.537 -10.719 1.00 23.12 H new ATOM 0 HB2 SER A 32 -0.174 13.947 -10.888 1.00 31.15 H new ATOM 0 HB3 SER A 32 -1.830 14.095 -10.334 1.00 31.15 H new ATOM 0 HG SER A 32 -1.921 15.792 -12.176 1.00 54.45 H new ATOM 490 N LEU A 33 -2.310 16.271 -8.354 1.00 43.13 N ATOM 491 CA LEU A 33 -3.491 16.878 -7.765 1.00 52.40 C ATOM 492 C LEU A 33 -3.225 18.364 -7.514 1.00 74.35 C ATOM 493 O LEU A 33 -3.903 19.223 -8.075 1.00 60.24 O ATOM 494 CB LEU A 33 -3.921 16.111 -6.513 1.00 14.20 C ATOM 495 CG LEU A 33 -5.410 15.774 -6.411 1.00 50.11 C ATOM 496 CD1 LEU A 33 -5.763 15.273 -5.009 1.00 33.31 C ATOM 497 CD2 LEU A 33 -6.272 16.967 -6.828 1.00 73.32 C ATOM 0 H LEU A 33 -1.837 15.593 -7.757 1.00 43.13 H new ATOM 0 HA LEU A 33 -4.334 16.816 -8.454 1.00 52.40 H new ATOM 0 HB2 LEU A 33 -3.354 15.181 -6.468 1.00 14.20 H new ATOM 0 HB3 LEU A 33 -3.641 16.697 -5.638 1.00 14.20 H new ATOM 0 HG LEU A 33 -5.626 14.963 -7.107 1.00 50.11 H new ATOM 0 HD11 LEU A 33 -6.827 15.040 -4.963 1.00 33.31 H new ATOM 0 HD12 LEU A 33 -5.185 14.376 -4.787 1.00 33.31 H new ATOM 0 HD13 LEU A 33 -5.528 16.046 -4.277 1.00 33.31 H new ATOM 0 HD21 LEU A 33 -7.326 16.701 -6.746 1.00 73.32 H new ATOM 0 HD22 LEU A 33 -6.060 17.814 -6.176 1.00 73.32 H new ATOM 0 HD23 LEU A 33 -6.045 17.237 -7.859 1.00 73.32 H new ATOM 509 N TRP A 34 -2.235 18.620 -6.672 1.00 3.44 N ATOM 510 CA TRP A 34 -1.871 19.988 -6.340 1.00 51.44 C ATOM 511 C TRP A 34 -0.476 20.257 -6.909 1.00 33.42 C ATOM 512 O TRP A 34 -0.293 21.176 -7.706 1.00 61.13 O ATOM 513 CB TRP A 34 -1.958 20.228 -4.831 1.00 14.33 C ATOM 514 CG TRP A 34 -0.937 19.433 -4.015 1.00 72.31 C ATOM 515 CD1 TRP A 34 -1.090 18.225 -3.455 1.00 0.31 C ATOM 516 CD2 TRP A 34 0.407 19.841 -3.687 1.00 12.50 C ATOM 517 NE1 TRP A 34 0.054 17.826 -2.794 1.00 43.11 N ATOM 518 CE2 TRP A 34 0.993 18.840 -2.939 1.00 73.32 C ATOM 519 CE3 TRP A 34 1.106 21.016 -4.013 1.00 14.24 C ATOM 520 CZ2 TRP A 34 2.304 18.913 -2.453 1.00 70.10 C ATOM 521 CZ3 TRP A 34 2.416 21.074 -3.520 1.00 30.32 C ATOM 522 CH2 TRP A 34 3.019 20.076 -2.765 1.00 61.12 C ATOM 0 H TRP A 34 -1.674 17.905 -6.210 1.00 3.44 H new ATOM 0 HA TRP A 34 -2.572 20.693 -6.787 1.00 51.44 H new ATOM 0 HB2 TRP A 34 -1.817 21.291 -4.634 1.00 14.33 H new ATOM 0 HB3 TRP A 34 -2.961 19.970 -4.490 1.00 14.33 H new ATOM 0 HD1 TRP A 34 -1.995 17.638 -3.514 1.00 0.31 H new ATOM 0 HE1 TRP A 34 0.186 16.948 -2.291 1.00 43.11 H new ATOM 0 HE3 TRP A 34 0.668 21.811 -4.597 1.00 14.24 H new ATOM 0 HZ2 TRP A 34 2.740 18.116 -1.869 1.00 70.10 H new ATOM 0 HZ3 TRP A 34 2.998 21.956 -3.742 1.00 30.32 H new ATOM 0 HH2 TRP A 34 4.035 20.197 -2.420 1.00 61.12 H new ATOM 533 N ASN A 35 0.472 19.438 -6.478 1.00 43.22 N ATOM 534 CA ASN A 35 1.845 19.575 -6.934 1.00 33.33 C ATOM 535 C ASN A 35 2.238 21.054 -6.912 1.00 74.14 C ATOM 536 O ASN A 35 3.307 21.408 -6.415 1.00 63.41 O ATOM 537 CB ASN A 35 2.002 19.066 -8.367 1.00 54.15 C ATOM 538 CG ASN A 35 3.235 19.677 -9.035 1.00 3.22 C ATOM 539 OD1 ASN A 35 3.220 20.064 -10.193 1.00 64.44 O ATOM 540 ND2 ASN A 35 4.302 19.744 -8.243 1.00 13.14 N ATOM 0 H ASN A 35 0.316 18.677 -5.817 1.00 43.22 H new ATOM 0 HA ASN A 35 2.482 18.989 -6.271 1.00 33.33 H new ATOM 0 HB2 ASN A 35 2.087 17.979 -8.363 1.00 54.15 H new ATOM 0 HB3 ASN A 35 1.111 19.314 -8.944 1.00 54.15 H new ATOM 0 HD21 ASN A 35 5.175 20.137 -8.595 1.00 13.14 H new ATOM 0 HD22 ASN A 35 4.247 19.402 -7.284 1.00 13.14 H new TER 547 ASN A 35