USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=2 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 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.616 K(o=-0.62,f=-4.3!) USER MOD Single : A 22 GLN : amide:sc= -0.719 X(o=-0.72,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 170:sc=-0.00546 USER MOD Single : A 35 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.440 -3.407 -13.533 1.00 31.42 N ATOM 2 CA GLY A 1 -19.266 -2.887 -12.853 1.00 71.11 C ATOM 3 C GLY A 1 -19.635 -1.720 -11.935 1.00 33.24 C ATOM 4 O GLY A 1 -19.265 -0.577 -12.200 1.00 44.14 O ATOM 0 H1 GLY A 1 -20.163 -4.197 -14.149 1.00 31.42 H new ATOM 0 H2 GLY A 1 -21.129 -3.742 -12.829 1.00 31.42 H new ATOM 0 H3 GLY A 1 -20.870 -2.654 -14.108 1.00 31.42 H new ATOM 0 HA2 GLY A 1 -18.799 -3.680 -12.269 1.00 71.11 H new ATOM 0 HA3 GLY A 1 -18.532 -2.558 -13.588 1.00 71.11 H new ATOM 8 N ILE A 2 -20.362 -2.048 -10.877 1.00 14.15 N ATOM 9 CA ILE A 2 -20.785 -1.041 -9.920 1.00 42.54 C ATOM 10 C ILE A 2 -20.106 -1.305 -8.575 1.00 65.34 C ATOM 11 O ILE A 2 -19.029 -1.898 -8.524 1.00 62.41 O ATOM 12 CB ILE A 2 -22.312 -0.989 -9.837 1.00 33.14 C ATOM 13 CG1 ILE A 2 -22.948 -1.479 -11.140 1.00 61.44 C ATOM 14 CG2 ILE A 2 -22.793 0.413 -9.457 1.00 13.34 C ATOM 15 CD1 ILE A 2 -23.216 -2.985 -11.086 1.00 11.43 C ATOM 0 H ILE A 2 -20.669 -2.997 -10.662 1.00 14.15 H new ATOM 0 HA ILE A 2 -20.472 -0.050 -10.247 1.00 42.54 H new ATOM 0 HB ILE A 2 -22.635 -1.666 -9.046 1.00 33.14 H new ATOM 0 HG12 ILE A 2 -23.882 -0.946 -11.316 1.00 61.44 H new ATOM 0 HG13 ILE A 2 -22.289 -1.253 -11.978 1.00 61.44 H new ATOM 0 HG21 ILE A 2 -23.882 0.422 -9.405 1.00 13.34 H new ATOM 0 HG22 ILE A 2 -22.381 0.688 -8.486 1.00 13.34 H new ATOM 0 HG23 ILE A 2 -22.460 1.128 -10.209 1.00 13.34 H new ATOM 0 HD11 ILE A 2 -23.668 -3.308 -12.024 1.00 11.43 H new ATOM 0 HD12 ILE A 2 -22.277 -3.517 -10.934 1.00 11.43 H new ATOM 0 HD13 ILE A 2 -23.895 -3.204 -10.262 1.00 11.43 H new ATOM 27 N GLY A 3 -20.764 -0.853 -7.517 1.00 4.52 N ATOM 28 CA GLY A 3 -20.236 -1.033 -6.174 1.00 22.13 C ATOM 29 C GLY A 3 -20.650 -2.390 -5.601 1.00 12.33 C ATOM 30 O GLY A 3 -21.596 -2.477 -4.820 1.00 24.15 O ATOM 0 H GLY A 3 -21.657 -0.363 -7.562 1.00 4.52 H new ATOM 0 HA2 GLY A 3 -19.149 -0.959 -6.194 1.00 22.13 H new ATOM 0 HA3 GLY A 3 -20.599 -0.235 -5.527 1.00 22.13 H new ATOM 34 N ALA A 4 -19.919 -3.417 -6.010 1.00 1.11 N ATOM 35 CA ALA A 4 -20.197 -4.765 -5.547 1.00 0.22 C ATOM 36 C ALA A 4 -20.336 -4.758 -4.024 1.00 61.33 C ATOM 37 O ALA A 4 -21.447 -4.794 -3.498 1.00 30.14 O ATOM 38 CB ALA A 4 -19.092 -5.708 -6.027 1.00 15.23 C ATOM 0 H ALA A 4 -19.134 -3.342 -6.657 1.00 1.11 H new ATOM 0 HA ALA A 4 -21.138 -5.127 -5.962 1.00 0.22 H new ATOM 0 HB1 ALA A 4 -19.301 -6.720 -5.679 1.00 15.23 H new ATOM 0 HB2 ALA A 4 -19.054 -5.699 -7.116 1.00 15.23 H new ATOM 0 HB3 ALA A 4 -18.133 -5.378 -5.628 1.00 15.23 H new ATOM 44 N PHE A 5 -19.192 -4.712 -3.357 1.00 23.34 N ATOM 45 CA PHE A 5 -19.172 -4.699 -1.905 1.00 43.11 C ATOM 46 C PHE A 5 -19.215 -3.267 -1.368 1.00 4.32 C ATOM 47 O PHE A 5 -20.161 -2.885 -0.681 1.00 30.20 O ATOM 48 CB PHE A 5 -17.860 -5.355 -1.469 1.00 72.54 C ATOM 49 CG PHE A 5 -17.446 -6.550 -2.332 1.00 25.32 C ATOM 50 CD1 PHE A 5 -18.261 -7.635 -2.427 1.00 3.53 C ATOM 51 CD2 PHE A 5 -16.263 -6.526 -3.002 1.00 73.42 C ATOM 52 CE1 PHE A 5 -17.876 -8.743 -3.227 1.00 2.34 C ATOM 53 CE2 PHE A 5 -15.879 -7.634 -3.802 1.00 53.41 C ATOM 54 CZ PHE A 5 -16.693 -8.719 -3.898 1.00 55.10 C ATOM 0 H PHE A 5 -18.272 -4.683 -3.796 1.00 23.34 H new ATOM 0 HA PHE A 5 -20.041 -5.230 -1.517 1.00 43.11 H new ATOM 0 HB2 PHE A 5 -17.066 -4.609 -1.495 1.00 72.54 H new ATOM 0 HB3 PHE A 5 -17.956 -5.683 -0.434 1.00 72.54 H new ATOM 0 HD1 PHE A 5 -19.200 -7.654 -1.894 1.00 3.53 H new ATOM 0 HD2 PHE A 5 -15.616 -5.665 -2.926 1.00 73.42 H new ATOM 0 HE1 PHE A 5 -18.522 -9.605 -3.303 1.00 2.34 H new ATOM 0 HE2 PHE A 5 -14.940 -7.615 -4.335 1.00 53.41 H new ATOM 0 HZ PHE A 5 -16.400 -9.562 -4.507 1.00 55.10 H new ATOM 64 N GLY A 6 -18.176 -2.513 -1.700 1.00 33.43 N ATOM 65 CA GLY A 6 -18.084 -1.132 -1.260 1.00 32.04 C ATOM 66 C GLY A 6 -16.977 -0.390 -2.013 1.00 62.11 C ATOM 67 O GLY A 6 -15.823 -0.393 -1.589 1.00 30.25 O ATOM 0 H GLY A 6 -17.392 -2.833 -2.268 1.00 33.43 H new ATOM 0 HA2 GLY A 6 -19.038 -0.631 -1.422 1.00 32.04 H new ATOM 0 HA3 GLY A 6 -17.885 -1.100 -0.189 1.00 32.04 H new ATOM 71 N LEU A 7 -17.369 0.228 -3.118 1.00 30.24 N ATOM 72 CA LEU A 7 -16.426 0.972 -3.934 1.00 4.34 C ATOM 73 C LEU A 7 -16.073 2.284 -3.230 1.00 22.11 C ATOM 74 O LEU A 7 -15.175 3.005 -3.664 1.00 75.02 O ATOM 75 CB LEU A 7 -16.975 1.162 -5.350 1.00 0.53 C ATOM 76 CG LEU A 7 -15.973 0.964 -6.489 1.00 30.31 C ATOM 77 CD1 LEU A 7 -16.603 0.180 -7.642 1.00 62.00 C ATOM 78 CD2 LEU A 7 -15.399 2.304 -6.954 1.00 33.24 C ATOM 0 H LEU A 7 -18.328 0.228 -3.467 1.00 30.24 H new ATOM 0 HA LEU A 7 -15.498 0.412 -4.050 1.00 4.34 H new ATOM 0 HB2 LEU A 7 -17.801 0.466 -5.494 1.00 0.53 H new ATOM 0 HB3 LEU A 7 -17.388 2.168 -5.426 1.00 0.53 H new ATOM 0 HG LEU A 7 -15.140 0.371 -6.112 1.00 30.31 H new ATOM 0 HD11 LEU A 7 -15.870 0.053 -8.439 1.00 62.00 H new ATOM 0 HD12 LEU A 7 -16.924 -0.798 -7.284 1.00 62.00 H new ATOM 0 HD13 LEU A 7 -17.465 0.726 -8.025 1.00 62.00 H new ATOM 0 HD21 LEU A 7 -14.690 2.135 -7.764 1.00 33.24 H new ATOM 0 HD22 LEU A 7 -16.208 2.943 -7.308 1.00 33.24 H new ATOM 0 HD23 LEU A 7 -14.890 2.790 -6.122 1.00 33.24 H new ATOM 90 N LEU A 8 -16.797 2.556 -2.155 1.00 71.55 N ATOM 91 CA LEU A 8 -16.573 3.768 -1.387 1.00 62.15 C ATOM 92 C LEU A 8 -15.077 3.918 -1.106 1.00 11.35 C ATOM 93 O LEU A 8 -14.537 5.023 -1.171 1.00 53.34 O ATOM 94 CB LEU A 8 -17.438 3.771 -0.125 1.00 62.14 C ATOM 95 CG LEU A 8 -18.425 4.933 0.010 1.00 12.22 C ATOM 96 CD1 LEU A 8 -17.687 6.271 0.099 1.00 15.23 C ATOM 97 CD2 LEU A 8 -19.448 4.918 -1.128 1.00 73.35 C ATOM 0 H LEU A 8 -17.541 1.956 -1.797 1.00 71.55 H new ATOM 0 HA LEU A 8 -16.881 4.643 -1.959 1.00 62.15 H new ATOM 0 HB2 LEU A 8 -18.000 2.838 -0.092 1.00 62.14 H new ATOM 0 HB3 LEU A 8 -16.779 3.778 0.743 1.00 62.14 H new ATOM 0 HG LEU A 8 -18.977 4.806 0.941 1.00 12.22 H new ATOM 0 HD11 LEU A 8 -18.411 7.080 0.194 1.00 15.23 H new ATOM 0 HD12 LEU A 8 -17.030 6.267 0.969 1.00 15.23 H new ATOM 0 HD13 LEU A 8 -17.093 6.420 -0.803 1.00 15.23 H new ATOM 0 HD21 LEU A 8 -20.137 5.754 -1.008 1.00 73.35 H new ATOM 0 HD22 LEU A 8 -18.931 5.008 -2.083 1.00 73.35 H new ATOM 0 HD23 LEU A 8 -20.005 3.982 -1.104 1.00 73.35 H new ATOM 109 N GLY A 9 -14.448 2.793 -0.800 1.00 44.20 N ATOM 110 CA GLY A 9 -13.024 2.786 -0.509 1.00 73.40 C ATOM 111 C GLY A 9 -12.458 1.366 -0.580 1.00 2.04 C ATOM 112 O GLY A 9 -11.550 1.019 0.175 1.00 75.01 O ATOM 0 H GLY A 9 -14.898 1.879 -0.747 1.00 44.20 H new ATOM 0 HA2 GLY A 9 -12.501 3.426 -1.219 1.00 73.40 H new ATOM 0 HA3 GLY A 9 -12.850 3.202 0.483 1.00 73.40 H new ATOM 116 N PHE A 10 -13.016 0.586 -1.494 1.00 43.41 N ATOM 117 CA PHE A 10 -12.577 -0.788 -1.673 1.00 62.11 C ATOM 118 C PHE A 10 -11.076 -0.851 -1.962 1.00 4.13 C ATOM 119 O PHE A 10 -10.363 -1.672 -1.387 1.00 40.31 O ATOM 120 CB PHE A 10 -13.339 -1.348 -2.875 1.00 65.44 C ATOM 121 CG PHE A 10 -12.568 -2.409 -3.661 1.00 73.11 C ATOM 122 CD1 PHE A 10 -12.608 -2.412 -5.021 1.00 71.51 C ATOM 123 CD2 PHE A 10 -11.842 -3.351 -3.002 1.00 51.42 C ATOM 124 CE1 PHE A 10 -11.893 -3.397 -5.751 1.00 71.35 C ATOM 125 CE2 PHE A 10 -11.126 -4.337 -3.731 1.00 31.45 C ATOM 126 CZ PHE A 10 -11.167 -4.339 -5.091 1.00 1.14 C ATOM 0 H PHE A 10 -13.768 0.879 -2.118 1.00 43.41 H new ATOM 0 HA PHE A 10 -12.770 -1.361 -0.766 1.00 62.11 H new ATOM 0 HB2 PHE A 10 -14.278 -1.779 -2.528 1.00 65.44 H new ATOM 0 HB3 PHE A 10 -13.593 -0.527 -3.546 1.00 65.44 H new ATOM 0 HD1 PHE A 10 -13.184 -1.664 -5.545 1.00 71.51 H new ATOM 0 HD2 PHE A 10 -11.810 -3.349 -1.922 1.00 51.42 H new ATOM 0 HE1 PHE A 10 -11.925 -3.399 -6.831 1.00 71.35 H new ATOM 0 HE2 PHE A 10 -10.549 -5.085 -3.206 1.00 31.45 H new ATOM 0 HZ PHE A 10 -10.623 -5.089 -5.646 1.00 1.14 H new ATOM 136 N LEU A 11 -10.640 0.028 -2.852 1.00 3.23 N ATOM 137 CA LEU A 11 -9.236 0.083 -3.225 1.00 44.55 C ATOM 138 C LEU A 11 -8.448 0.794 -2.123 1.00 4.12 C ATOM 139 O LEU A 11 -7.384 0.330 -1.716 1.00 61.54 O ATOM 140 CB LEU A 11 -9.072 0.718 -4.607 1.00 61.13 C ATOM 141 CG LEU A 11 -9.670 -0.063 -5.778 1.00 31.52 C ATOM 142 CD1 LEU A 11 -9.537 -1.571 -5.558 1.00 21.01 C ATOM 143 CD2 LEU A 11 -11.120 0.353 -6.032 1.00 35.44 C ATOM 0 H LEU A 11 -11.234 0.708 -3.326 1.00 3.23 H new ATOM 0 HA LEU A 11 -8.826 -0.923 -3.313 1.00 44.55 H new ATOM 0 HB2 LEU A 11 -9.527 1.708 -4.586 1.00 61.13 H new ATOM 0 HB3 LEU A 11 -8.008 0.860 -4.796 1.00 61.13 H new ATOM 0 HG LEU A 11 -9.103 0.182 -6.676 1.00 31.52 H new ATOM 0 HD11 LEU A 11 -9.970 -2.102 -6.406 1.00 21.01 H new ATOM 0 HD12 LEU A 11 -8.483 -1.834 -5.466 1.00 21.01 H new ATOM 0 HD13 LEU A 11 -10.063 -1.853 -4.646 1.00 21.01 H new ATOM 0 HD21 LEU A 11 -11.521 -0.218 -6.870 1.00 35.44 H new ATOM 0 HD22 LEU A 11 -11.716 0.157 -5.141 1.00 35.44 H new ATOM 0 HD23 LEU A 11 -11.158 1.417 -6.267 1.00 35.44 H new ATOM 155 N ALA A 12 -9.000 1.911 -1.672 1.00 22.41 N ATOM 156 CA ALA A 12 -8.363 2.692 -0.626 1.00 1.42 C ATOM 157 C ALA A 12 -8.046 1.782 0.562 1.00 42.25 C ATOM 158 O ALA A 12 -7.025 1.956 1.227 1.00 15.23 O ATOM 159 CB ALA A 12 -9.269 3.863 -0.238 1.00 3.40 C ATOM 0 H ALA A 12 -9.882 2.294 -2.012 1.00 22.41 H new ATOM 0 HA ALA A 12 -7.422 3.112 -0.980 1.00 1.42 H new ATOM 0 HB1 ALA A 12 -8.791 4.449 0.547 1.00 3.40 H new ATOM 0 HB2 ALA A 12 -9.440 4.495 -1.109 1.00 3.40 H new ATOM 0 HB3 ALA A 12 -10.223 3.480 0.125 1.00 3.40 H new ATOM 165 N ALA A 13 -8.940 0.832 0.794 1.00 1.44 N ATOM 166 CA ALA A 13 -8.768 -0.105 1.890 1.00 43.14 C ATOM 167 C ALA A 13 -7.510 -0.943 1.648 1.00 72.24 C ATOM 168 O ALA A 13 -6.728 -1.175 2.568 1.00 12.05 O ATOM 169 CB ALA A 13 -10.025 -0.967 2.028 1.00 74.22 C ATOM 0 H ALA A 13 -9.786 0.691 0.241 1.00 1.44 H new ATOM 0 HA ALA A 13 -8.633 0.428 2.831 1.00 43.14 H new ATOM 0 HB1 ALA A 13 -9.895 -1.670 2.851 1.00 74.22 H new ATOM 0 HB2 ALA A 13 -10.884 -0.327 2.229 1.00 74.22 H new ATOM 0 HB3 ALA A 13 -10.192 -1.518 1.103 1.00 74.22 H new ATOM 175 N GLY A 14 -7.356 -1.374 0.404 1.00 5.02 N ATOM 176 CA GLY A 14 -6.208 -2.181 0.029 1.00 31.11 C ATOM 177 C GLY A 14 -4.919 -1.357 0.081 1.00 52.15 C ATOM 178 O GLY A 14 -3.853 -1.885 0.396 1.00 64.34 O ATOM 0 H GLY A 14 -8.007 -1.179 -0.356 1.00 5.02 H new ATOM 0 HA2 GLY A 14 -6.125 -3.036 0.700 1.00 31.11 H new ATOM 0 HA3 GLY A 14 -6.350 -2.578 -0.976 1.00 31.11 H new ATOM 182 N SER A 15 -5.059 -0.078 -0.232 1.00 13.02 N ATOM 183 CA SER A 15 -3.919 0.823 -0.225 1.00 41.02 C ATOM 184 C SER A 15 -3.351 0.937 1.191 1.00 21.52 C ATOM 185 O SER A 15 -2.245 1.440 1.381 1.00 11.02 O ATOM 186 CB SER A 15 -4.306 2.205 -0.755 1.00 24.34 C ATOM 187 OG SER A 15 -4.320 2.246 -2.180 1.00 2.31 O ATOM 0 H SER A 15 -5.944 0.356 -0.492 1.00 13.02 H new ATOM 0 HA SER A 15 -3.154 0.412 -0.884 1.00 41.02 H new ATOM 0 HB2 SER A 15 -5.291 2.476 -0.375 1.00 24.34 H new ATOM 0 HB3 SER A 15 -3.603 2.948 -0.378 1.00 24.34 H new ATOM 0 HG SER A 15 -4.573 3.144 -2.479 1.00 2.31 H new ATOM 193 N LYS A 16 -4.135 0.462 2.148 1.00 21.25 N ATOM 194 CA LYS A 16 -3.724 0.505 3.541 1.00 63.13 C ATOM 195 C LYS A 16 -2.406 -0.255 3.703 1.00 4.14 C ATOM 196 O LYS A 16 -1.497 0.212 4.387 1.00 2.43 O ATOM 197 CB LYS A 16 -4.845 -0.009 4.447 1.00 1.11 C ATOM 198 CG LYS A 16 -6.100 0.856 4.309 1.00 64.11 C ATOM 199 CD LYS A 16 -5.987 2.125 5.157 1.00 53.11 C ATOM 200 CE LYS A 16 -6.732 3.290 4.501 1.00 3.42 C ATOM 201 NZ LYS A 16 -7.661 3.920 5.466 1.00 74.31 N ATOM 0 H LYS A 16 -5.052 0.046 1.986 1.00 21.25 H new ATOM 0 HA LYS A 16 -3.540 1.533 3.852 1.00 63.13 H new ATOM 0 HB2 LYS A 16 -5.081 -1.042 4.190 1.00 1.11 H new ATOM 0 HB3 LYS A 16 -4.509 -0.007 5.484 1.00 1.11 H new ATOM 0 HG2 LYS A 16 -6.247 1.125 3.263 1.00 64.11 H new ATOM 0 HG3 LYS A 16 -6.976 0.285 4.618 1.00 64.11 H new ATOM 0 HD2 LYS A 16 -6.396 1.941 6.151 1.00 53.11 H new ATOM 0 HD3 LYS A 16 -4.937 2.387 5.288 1.00 53.11 H new ATOM 0 HE2 LYS A 16 -6.017 4.029 4.140 1.00 3.42 H new ATOM 0 HE3 LYS A 16 -7.287 2.932 3.634 1.00 3.42 H new ATOM 0 HZ1 LYS A 16 -8.158 4.708 5.005 1.00 74.31 H new ATOM 0 HZ2 LYS A 16 -8.354 3.216 5.791 1.00 74.31 H new ATOM 0 HZ3 LYS A 16 -7.124 4.279 6.281 1.00 74.31 H new ATOM 214 N LYS A 17 -2.345 -1.413 3.063 1.00 12.24 N ATOM 215 CA LYS A 17 -1.153 -2.242 3.127 1.00 32.32 C ATOM 216 C LYS A 17 -0.671 -2.545 1.707 1.00 4.02 C ATOM 217 O LYS A 17 0.384 -2.068 1.291 1.00 51.23 O ATOM 218 CB LYS A 17 -1.415 -3.492 3.968 1.00 51.02 C ATOM 219 CG LYS A 17 -1.120 -3.231 5.447 1.00 1.04 C ATOM 220 CD LYS A 17 -0.133 -4.261 5.999 1.00 14.31 C ATOM 221 CE LYS A 17 -0.439 -4.584 7.462 1.00 44.35 C ATOM 222 NZ LYS A 17 -1.046 -5.930 7.580 1.00 1.25 N ATOM 0 H LYS A 17 -3.102 -1.797 2.497 1.00 12.24 H new ATOM 0 HA LYS A 17 -0.346 -1.711 3.631 1.00 32.32 H new ATOM 0 HB2 LYS A 17 -2.453 -3.803 3.850 1.00 51.02 H new ATOM 0 HB3 LYS A 17 -0.794 -4.313 3.609 1.00 51.02 H new ATOM 0 HG2 LYS A 17 -0.710 -2.228 5.568 1.00 1.04 H new ATOM 0 HG3 LYS A 17 -2.047 -3.268 6.019 1.00 1.04 H new ATOM 0 HD2 LYS A 17 -0.182 -5.173 5.404 1.00 14.31 H new ATOM 0 HD3 LYS A 17 0.884 -3.878 5.912 1.00 14.31 H new ATOM 0 HE2 LYS A 17 0.478 -4.539 8.050 1.00 44.35 H new ATOM 0 HE3 LYS A 17 -1.117 -3.836 7.872 1.00 44.35 H new ATOM 0 HZ1 LYS A 17 -1.248 -6.134 8.580 1.00 1.25 H new ATOM 0 HZ2 LYS A 17 -1.931 -5.961 7.035 1.00 1.25 H new ATOM 0 HZ3 LYS A 17 -0.386 -6.642 7.208 1.00 1.25 H new HETATM 235 C1 ACA A 18 0.466 -7.619 -4.323 1.00 23.44 C HETATM 236 O1 ACA A 18 0.820 -8.728 -3.928 1.00 63.34 O HETATM 237 C2 ACA A 18 0.782 -6.766 -3.155 1.00 74.14 C HETATM 238 C3 ACA A 18 -0.326 -6.865 -2.105 1.00 52.13 C HETATM 239 C4 ACA A 18 -1.151 -5.578 -2.055 1.00 12.14 C HETATM 240 C5 ACA A 18 -1.463 -5.183 -0.610 1.00 20.04 C HETATM 241 C6 ACA A 18 -1.133 -3.709 -0.362 1.00 64.42 C HETATM 242 N6 ACA A 18 -1.466 -3.337 1.003 1.00 25.23 N HETATM 0 HN61 ACA A 18 -1.861 -4.030 1.638 1.00 25.23 H new HETATM 0 H62 ACA A 18 -0.073 -3.531 -0.546 1.00 64.42 H new HETATM 0 H61 ACA A 18 -1.687 -3.083 -1.062 1.00 64.42 H new HETATM 0 H52 ACA A 18 -2.517 -5.364 -0.399 1.00 20.04 H new HETATM 0 H51 ACA A 18 -0.889 -5.808 0.074 1.00 20.04 H new HETATM 0 H42 ACA A 18 -0.605 -4.773 -2.546 1.00 12.14 H new HETATM 0 H41 ACA A 18 -2.081 -5.716 -2.607 1.00 12.14 H new HETATM 0 H32 ACA A 18 -0.976 -7.709 -2.336 1.00 52.13 H new HETATM 0 H31 ACA A 18 0.112 -7.058 -1.126 1.00 52.13 H new HETATM 0 H22 ACA A 18 1.733 -7.073 -2.719 1.00 74.14 H new HETATM 0 H21 ACA A 18 0.897 -5.730 -3.474 1.00 74.14 H new ATOM 254 N LYS A 19 -0.729 -7.346 -4.827 1.00 72.35 N ATOM 255 CA LYS A 19 -1.741 -8.382 -4.950 1.00 23.44 C ATOM 256 C LYS A 19 -1.948 -8.713 -6.430 1.00 61.52 C ATOM 257 O LYS A 19 -1.572 -9.791 -6.887 1.00 43.21 O ATOM 258 CB LYS A 19 -3.024 -7.965 -4.228 1.00 23.30 C ATOM 259 CG LYS A 19 -3.999 -9.139 -4.119 1.00 11.13 C ATOM 260 CD LYS A 19 -4.741 -9.113 -2.781 1.00 30.32 C ATOM 261 CE LYS A 19 -5.704 -7.926 -2.712 1.00 60.43 C ATOM 262 NZ LYS A 19 -7.065 -8.337 -3.126 1.00 10.22 N ATOM 0 HA LYS A 19 -1.410 -9.298 -4.461 1.00 23.44 H new ATOM 0 HB2 LYS A 19 -2.781 -7.596 -3.232 1.00 23.30 H new ATOM 0 HB3 LYS A 19 -3.497 -7.143 -4.766 1.00 23.30 H new ATOM 0 HG2 LYS A 19 -4.717 -9.097 -4.938 1.00 11.13 H new ATOM 0 HG3 LYS A 19 -3.455 -10.078 -4.219 1.00 11.13 H new ATOM 0 HD2 LYS A 19 -5.294 -10.043 -2.650 1.00 30.32 H new ATOM 0 HD3 LYS A 19 -4.023 -9.051 -1.964 1.00 30.32 H new ATOM 0 HE2 LYS A 19 -5.730 -7.530 -1.697 1.00 60.43 H new ATOM 0 HE3 LYS A 19 -5.348 -7.123 -3.358 1.00 60.43 H new ATOM 0 HZ1 LYS A 19 -7.706 -7.519 -3.073 1.00 10.22 H new ATOM 0 HZ2 LYS A 19 -7.038 -8.693 -4.103 1.00 10.22 H new ATOM 0 HZ3 LYS A 19 -7.409 -9.087 -2.493 1.00 10.22 H new ATOM 275 N ASN A 20 -2.547 -7.766 -7.137 1.00 34.12 N ATOM 276 CA ASN A 20 -2.809 -7.944 -8.555 1.00 53.52 C ATOM 277 C ASN A 20 -1.495 -7.828 -9.331 1.00 64.41 C ATOM 278 O ASN A 20 -0.423 -7.742 -8.733 1.00 60.42 O ATOM 279 CB ASN A 20 -3.764 -6.868 -9.078 1.00 51.32 C ATOM 280 CG ASN A 20 -4.749 -7.456 -10.090 1.00 35.20 C ATOM 281 OD1 ASN A 20 -4.501 -8.470 -10.721 1.00 64.44 O ATOM 282 ND2 ASN A 20 -5.879 -6.763 -10.210 1.00 1.02 N ATOM 0 H ASN A 20 -2.858 -6.873 -6.754 1.00 34.12 H new ATOM 0 HA ASN A 20 -3.261 -8.926 -8.694 1.00 53.52 H new ATOM 0 HB2 ASN A 20 -4.312 -6.427 -8.245 1.00 51.32 H new ATOM 0 HB3 ASN A 20 -3.193 -6.065 -9.545 1.00 51.32 H new ATOM 0 HD21 ASN A 20 -6.601 -7.073 -10.861 1.00 1.02 H new ATOM 0 HD22 ASN A 20 -6.023 -5.922 -9.651 1.00 1.02 H new ATOM 289 N GLU A 21 -1.622 -7.828 -10.650 1.00 4.53 N ATOM 290 CA GLU A 21 -0.457 -7.723 -11.513 1.00 50.23 C ATOM 291 C GLU A 21 0.251 -6.386 -11.290 1.00 45.21 C ATOM 292 O GLU A 21 1.474 -6.303 -11.386 1.00 3.24 O ATOM 293 CB GLU A 21 -0.845 -7.900 -12.981 1.00 74.33 C ATOM 294 CG GLU A 21 -1.960 -6.928 -13.375 1.00 41.02 C ATOM 295 CD GLU A 21 -3.165 -7.678 -13.945 1.00 75.50 C ATOM 296 OE1 GLU A 21 -3.883 -8.359 -13.198 1.00 4.23 O ATOM 297 OE2 GLU A 21 -3.346 -7.534 -15.215 1.00 63.51 O ATOM 0 H GLU A 21 -2.513 -7.899 -11.142 1.00 4.53 H new ATOM 0 HA GLU A 21 0.235 -8.525 -11.255 1.00 50.23 H new ATOM 0 HB2 GLU A 21 0.027 -7.734 -13.614 1.00 74.33 H new ATOM 0 HB3 GLU A 21 -1.174 -8.925 -13.153 1.00 74.33 H new ATOM 0 HG2 GLU A 21 -2.267 -6.348 -12.504 1.00 41.02 H new ATOM 0 HG3 GLU A 21 -1.585 -6.219 -14.114 1.00 41.02 H new ATOM 305 N GLN A 22 -0.549 -5.371 -10.996 1.00 74.43 N ATOM 306 CA GLN A 22 -0.015 -4.041 -10.759 1.00 12.41 C ATOM 307 C GLN A 22 1.299 -4.128 -9.979 1.00 30.11 C ATOM 308 O GLN A 22 2.366 -3.842 -10.520 1.00 61.21 O ATOM 309 CB GLN A 22 -1.031 -3.165 -10.024 1.00 24.34 C ATOM 310 CG GLN A 22 -1.798 -3.975 -8.976 1.00 13.33 C ATOM 311 CD GLN A 22 -1.592 -3.393 -7.576 1.00 31.14 C ATOM 312 OE1 GLN A 22 -1.253 -4.087 -6.631 1.00 71.42 O ATOM 313 NE2 GLN A 22 -1.816 -2.085 -7.496 1.00 65.42 N ATOM 0 H GLN A 22 -1.563 -5.444 -10.917 1.00 74.43 H new ATOM 0 HA GLN A 22 0.187 -3.575 -11.723 1.00 12.41 H new ATOM 0 HB2 GLN A 22 -0.518 -2.333 -9.542 1.00 24.34 H new ATOM 0 HB3 GLN A 22 -1.731 -2.735 -10.740 1.00 24.34 H new ATOM 0 HG2 GLN A 22 -2.860 -3.979 -9.220 1.00 13.33 H new ATOM 0 HG3 GLN A 22 -1.463 -5.012 -8.996 1.00 13.33 H new ATOM 0 HE21 GLN A 22 -2.097 -1.564 -8.327 1.00 65.42 H new ATOM 0 HE22 GLN A 22 -1.706 -1.602 -6.604 1.00 65.42 H new ATOM 322 N GLU A 23 1.178 -4.524 -8.720 1.00 34.01 N ATOM 323 CA GLU A 23 2.343 -4.652 -7.862 1.00 63.45 C ATOM 324 C GLU A 23 3.497 -5.302 -8.626 1.00 10.43 C ATOM 325 O GLU A 23 4.628 -4.819 -8.579 1.00 21.34 O ATOM 326 CB GLU A 23 2.007 -5.446 -6.598 1.00 40.54 C ATOM 327 CG GLU A 23 2.844 -4.966 -5.410 1.00 14.41 C ATOM 328 CD GLU A 23 2.323 -3.630 -4.877 1.00 22.24 C ATOM 329 OE1 GLU A 23 2.965 -3.015 -4.012 1.00 62.14 O ATOM 330 OE2 GLU A 23 1.210 -3.233 -5.394 1.00 42.43 O ATOM 0 H GLU A 23 0.291 -4.760 -8.274 1.00 34.01 H new ATOM 0 HA GLU A 23 2.654 -3.654 -7.554 1.00 63.45 H new ATOM 0 HB2 GLU A 23 0.947 -5.338 -6.368 1.00 40.54 H new ATOM 0 HB3 GLU A 23 2.190 -6.507 -6.771 1.00 40.54 H new ATOM 0 HG2 GLU A 23 2.818 -5.713 -4.617 1.00 14.41 H new ATOM 0 HG3 GLU A 23 3.885 -4.859 -5.714 1.00 14.41 H new ATOM 338 N LEU A 24 3.174 -6.387 -9.313 1.00 35.10 N ATOM 339 CA LEU A 24 4.170 -7.109 -10.087 1.00 31.15 C ATOM 340 C LEU A 24 5.078 -6.106 -10.802 1.00 63.12 C ATOM 341 O LEU A 24 6.272 -6.031 -10.516 1.00 3.33 O ATOM 342 CB LEU A 24 3.496 -8.108 -11.030 1.00 4.03 C ATOM 343 CG LEU A 24 4.117 -9.506 -11.080 1.00 31.34 C ATOM 344 CD1 LEU A 24 5.533 -9.456 -11.656 1.00 74.11 C ATOM 345 CD2 LEU A 24 4.082 -10.172 -9.703 1.00 32.25 C ATOM 0 H LEU A 24 2.235 -6.785 -9.350 1.00 35.10 H new ATOM 0 HA LEU A 24 4.805 -7.704 -9.430 1.00 31.15 H new ATOM 0 HB2 LEU A 24 2.451 -8.206 -10.737 1.00 4.03 H new ATOM 0 HB3 LEU A 24 3.506 -7.691 -12.037 1.00 4.03 H new ATOM 0 HG LEU A 24 3.518 -10.122 -11.750 1.00 31.34 H new ATOM 0 HD11 LEU A 24 5.952 -10.462 -11.681 1.00 74.11 H new ATOM 0 HD12 LEU A 24 5.500 -9.052 -12.668 1.00 74.11 H new ATOM 0 HD13 LEU A 24 6.158 -8.818 -11.031 1.00 74.11 H new ATOM 0 HD21 LEU A 24 4.529 -11.164 -9.767 1.00 32.25 H new ATOM 0 HD22 LEU A 24 4.643 -9.566 -8.991 1.00 32.25 H new ATOM 0 HD23 LEU A 24 3.049 -10.261 -9.368 1.00 32.25 H new ATOM 357 N LEU A 25 4.478 -5.360 -11.717 1.00 21.23 N ATOM 358 CA LEU A 25 5.217 -4.364 -12.475 1.00 15.40 C ATOM 359 C LEU A 25 6.018 -3.487 -11.511 1.00 61.04 C ATOM 360 O LEU A 25 7.146 -3.099 -11.810 1.00 33.11 O ATOM 361 CB LEU A 25 4.275 -3.576 -13.387 1.00 44.24 C ATOM 362 CG LEU A 25 3.544 -4.386 -14.459 1.00 53.34 C ATOM 363 CD1 LEU A 25 4.308 -5.670 -14.792 1.00 45.30 C ATOM 364 CD2 LEU A 25 2.100 -4.672 -14.041 1.00 33.34 C ATOM 0 H LEU A 25 3.487 -5.425 -11.951 1.00 21.23 H new ATOM 0 HA LEU A 25 5.935 -4.846 -13.139 1.00 15.40 H new ATOM 0 HB2 LEU A 25 3.530 -3.079 -12.765 1.00 44.24 H new ATOM 0 HB3 LEU A 25 4.851 -2.793 -13.881 1.00 44.24 H new ATOM 0 HG LEU A 25 3.504 -3.789 -15.370 1.00 53.34 H new ATOM 0 HD11 LEU A 25 3.767 -6.227 -15.557 1.00 45.30 H new ATOM 0 HD12 LEU A 25 5.301 -5.417 -15.162 1.00 45.30 H new ATOM 0 HD13 LEU A 25 4.400 -6.282 -13.894 1.00 45.30 H new ATOM 0 HD21 LEU A 25 1.603 -5.249 -14.821 1.00 33.34 H new ATOM 0 HD22 LEU A 25 2.096 -5.240 -13.111 1.00 33.34 H new ATOM 0 HD23 LEU A 25 1.571 -3.731 -13.893 1.00 33.34 H new ATOM 376 N GLU A 26 5.402 -3.200 -10.373 1.00 11.11 N ATOM 377 CA GLU A 26 6.043 -2.375 -9.362 1.00 14.41 C ATOM 378 C GLU A 26 7.396 -2.972 -8.970 1.00 14.51 C ATOM 379 O GLU A 26 8.385 -2.251 -8.847 1.00 64.12 O ATOM 380 CB GLU A 26 5.142 -2.209 -8.138 1.00 3.31 C ATOM 381 CG GLU A 26 5.018 -0.735 -7.745 1.00 63.01 C ATOM 382 CD GLU A 26 3.991 -0.017 -8.622 1.00 14.02 C ATOM 383 OE1 GLU A 26 2.836 -0.457 -8.710 1.00 32.42 O ATOM 384 OE2 GLU A 26 4.431 1.034 -9.227 1.00 10.30 O ATOM 0 H GLU A 26 4.466 -3.524 -10.129 1.00 11.11 H new ATOM 0 HA GLU A 26 6.213 -1.384 -9.784 1.00 14.41 H new ATOM 0 HB2 GLU A 26 4.154 -2.617 -8.351 1.00 3.31 H new ATOM 0 HB3 GLU A 26 5.549 -2.779 -7.303 1.00 3.31 H new ATOM 0 HG2 GLU A 26 4.724 -0.658 -6.698 1.00 63.01 H new ATOM 0 HG3 GLU A 26 5.988 -0.247 -7.841 1.00 63.01 H new ATOM 392 N LEU A 27 7.397 -4.284 -8.786 1.00 71.44 N ATOM 393 CA LEU A 27 8.612 -4.987 -8.410 1.00 73.00 C ATOM 394 C LEU A 27 9.485 -5.187 -9.650 1.00 33.43 C ATOM 395 O LEU A 27 10.708 -5.270 -9.547 1.00 72.11 O ATOM 396 CB LEU A 27 8.275 -6.288 -7.679 1.00 24.32 C ATOM 397 CG LEU A 27 7.619 -6.134 -6.305 1.00 70.24 C ATOM 398 CD1 LEU A 27 8.611 -6.455 -5.185 1.00 75.14 C ATOM 399 CD2 LEU A 27 7.003 -4.743 -6.144 1.00 50.24 C ATOM 0 H LEU A 27 6.575 -4.879 -8.890 1.00 71.44 H new ATOM 0 HA LEU A 27 9.192 -4.393 -7.704 1.00 73.00 H new ATOM 0 HB2 LEU A 27 7.611 -6.876 -8.313 1.00 24.32 H new ATOM 0 HB3 LEU A 27 9.193 -6.863 -7.559 1.00 24.32 H new ATOM 0 HG LEU A 27 6.806 -6.856 -6.232 1.00 70.24 H new ATOM 0 HD11 LEU A 27 8.120 -6.338 -4.219 1.00 75.14 H new ATOM 0 HD12 LEU A 27 8.961 -7.482 -5.292 1.00 75.14 H new ATOM 0 HD13 LEU A 27 9.460 -5.774 -5.245 1.00 75.14 H new ATOM 0 HD21 LEU A 27 6.544 -4.660 -5.159 1.00 50.24 H new ATOM 0 HD22 LEU A 27 7.781 -3.986 -6.246 1.00 50.24 H new ATOM 0 HD23 LEU A 27 6.245 -4.590 -6.912 1.00 50.24 H new ATOM 411 N ASP A 28 8.822 -5.259 -10.796 1.00 50.32 N ATOM 412 CA ASP A 28 9.521 -5.448 -12.055 1.00 44.31 C ATOM 413 C ASP A 28 10.440 -4.251 -12.307 1.00 54.33 C ATOM 414 O ASP A 28 11.388 -4.344 -13.087 1.00 72.45 O ATOM 415 CB ASP A 28 8.538 -5.544 -13.222 1.00 15.00 C ATOM 416 CG ASP A 28 9.137 -6.062 -14.531 1.00 74.10 C ATOM 417 OD1 ASP A 28 9.828 -5.328 -15.253 1.00 43.31 O ATOM 418 OD2 ASP A 28 8.865 -7.293 -14.806 1.00 73.44 O ATOM 0 H ASP A 28 7.808 -5.190 -10.878 1.00 50.32 H new ATOM 0 HA ASP A 28 10.092 -6.374 -11.988 1.00 44.31 H new ATOM 0 HB2 ASP A 28 7.716 -6.198 -12.932 1.00 15.00 H new ATOM 0 HB3 ASP A 28 8.112 -4.557 -13.401 1.00 15.00 H new ATOM 424 N LYS A 29 10.129 -3.154 -11.634 1.00 24.40 N ATOM 425 CA LYS A 29 10.914 -1.940 -11.776 1.00 2.10 C ATOM 426 C LYS A 29 12.197 -2.069 -10.953 1.00 65.33 C ATOM 427 O LYS A 29 13.023 -1.157 -10.937 1.00 73.24 O ATOM 428 CB LYS A 29 10.074 -0.713 -11.416 1.00 20.42 C ATOM 429 CG LYS A 29 8.956 -0.495 -12.438 1.00 72.42 C ATOM 430 CD LYS A 29 9.429 0.398 -13.587 1.00 2.20 C ATOM 431 CE LYS A 29 8.789 1.785 -13.503 1.00 42.14 C ATOM 432 NZ LYS A 29 9.449 2.718 -14.444 1.00 64.24 N ATOM 0 H LYS A 29 9.343 -3.080 -10.988 1.00 24.40 H new ATOM 0 HA LYS A 29 11.213 -1.799 -12.815 1.00 2.10 H new ATOM 0 HB2 LYS A 29 9.644 -0.841 -10.423 1.00 20.42 H new ATOM 0 HB3 LYS A 29 10.712 0.170 -11.376 1.00 20.42 H new ATOM 0 HG2 LYS A 29 8.626 -1.456 -12.832 1.00 72.42 H new ATOM 0 HG3 LYS A 29 8.095 -0.039 -11.949 1.00 72.42 H new ATOM 0 HD2 LYS A 29 10.514 0.492 -13.556 1.00 2.20 H new ATOM 0 HD3 LYS A 29 9.176 -0.066 -14.540 1.00 2.20 H new ATOM 0 HE2 LYS A 29 7.726 1.716 -13.735 1.00 42.14 H new ATOM 0 HE3 LYS A 29 8.869 2.168 -12.486 1.00 42.14 H new ATOM 0 HZ1 LYS A 29 9.003 3.655 -14.374 1.00 64.24 H new ATOM 0 HZ2 LYS A 29 10.458 2.797 -14.205 1.00 64.24 H new ATOM 0 HZ3 LYS A 29 9.351 2.359 -15.415 1.00 64.24 H new ATOM 445 N TRP A 30 12.324 -3.208 -10.288 1.00 71.43 N ATOM 446 CA TRP A 30 13.493 -3.468 -9.465 1.00 70.34 C ATOM 447 C TRP A 30 14.725 -2.968 -10.221 1.00 54.04 C ATOM 448 O TRP A 30 15.520 -2.200 -9.682 1.00 72.34 O ATOM 449 CB TRP A 30 13.581 -4.948 -9.090 1.00 44.14 C ATOM 450 CG TRP A 30 12.847 -5.307 -7.796 1.00 73.00 C ATOM 451 CD1 TRP A 30 11.963 -6.295 -7.595 1.00 13.41 C ATOM 452 CD2 TRP A 30 12.970 -4.638 -6.523 1.00 13.22 C ATOM 453 NE1 TRP A 30 11.510 -6.311 -6.291 1.00 15.23 N ATOM 454 CE2 TRP A 30 12.142 -5.272 -5.619 1.00 31.25 C ATOM 455 CE3 TRP A 30 13.756 -3.534 -6.148 1.00 21.03 C ATOM 456 CZ2 TRP A 30 12.019 -4.873 -4.283 1.00 51.33 C ATOM 457 CZ3 TRP A 30 13.622 -3.149 -4.809 1.00 62.10 C ATOM 458 CH2 TRP A 30 12.792 -3.776 -3.886 1.00 20.43 C ATOM 0 H TRP A 30 11.636 -3.961 -10.302 1.00 71.43 H new ATOM 0 HA TRP A 30 13.425 -2.932 -8.518 1.00 70.34 H new ATOM 0 HB2 TRP A 30 13.171 -5.544 -9.905 1.00 44.14 H new ATOM 0 HB3 TRP A 30 14.630 -5.225 -8.989 1.00 44.14 H new ATOM 0 HD1 TRP A 30 11.645 -6.991 -8.357 1.00 13.41 H new ATOM 0 HE1 TRP A 30 10.836 -6.965 -5.894 1.00 15.23 H new ATOM 0 HE3 TRP A 30 14.411 -3.024 -6.838 1.00 21.03 H new ATOM 0 HZ2 TRP A 30 11.362 -5.385 -3.595 1.00 51.33 H new ATOM 0 HZ3 TRP A 30 14.204 -2.305 -4.469 1.00 62.10 H new ATOM 0 HH2 TRP A 30 12.744 -3.418 -2.868 1.00 20.43 H new ATOM 469 N ALA A 31 14.844 -3.425 -11.460 1.00 40.32 N ATOM 470 CA ALA A 31 15.967 -3.035 -12.295 1.00 33.35 C ATOM 471 C ALA A 31 15.883 -1.535 -12.587 1.00 70.32 C ATOM 472 O ALA A 31 16.899 -0.842 -12.592 1.00 33.31 O ATOM 473 CB ALA A 31 15.970 -3.877 -13.573 1.00 32.01 C ATOM 0 H ALA A 31 14.182 -4.061 -11.905 1.00 40.32 H new ATOM 0 HA ALA A 31 16.910 -3.219 -11.780 1.00 33.35 H new ATOM 0 HB1 ALA A 31 16.813 -3.584 -14.200 1.00 32.01 H new ATOM 0 HB2 ALA A 31 16.060 -4.932 -13.314 1.00 32.01 H new ATOM 0 HB3 ALA A 31 15.040 -3.715 -14.117 1.00 32.01 H new ATOM 479 N SER A 32 14.661 -1.078 -12.822 1.00 3.03 N ATOM 480 CA SER A 32 14.430 0.327 -13.114 1.00 0.31 C ATOM 481 C SER A 32 15.210 1.200 -12.128 1.00 13.13 C ATOM 482 O SER A 32 15.542 2.344 -12.436 1.00 65.43 O ATOM 483 CB SER A 32 12.940 0.664 -13.056 1.00 71.55 C ATOM 484 OG SER A 32 12.655 1.664 -12.081 1.00 35.33 O ATOM 0 H SER A 32 13.821 -1.656 -12.816 1.00 3.03 H new ATOM 0 HA SER A 32 14.781 0.529 -14.126 1.00 0.31 H new ATOM 0 HB2 SER A 32 12.608 1.008 -14.036 1.00 71.55 H new ATOM 0 HB3 SER A 32 12.373 -0.238 -12.826 1.00 71.55 H new ATOM 0 HG SER A 32 11.729 1.966 -12.184 1.00 35.33 H new ATOM 490 N LEU A 33 15.481 0.627 -10.964 1.00 35.14 N ATOM 491 CA LEU A 33 16.215 1.340 -9.933 1.00 52.42 C ATOM 492 C LEU A 33 17.686 1.445 -10.341 1.00 14.43 C ATOM 493 O LEU A 33 18.211 2.545 -10.505 1.00 23.42 O ATOM 494 CB LEU A 33 16.002 0.678 -8.570 1.00 33.11 C ATOM 495 CG LEU A 33 15.312 1.537 -7.509 1.00 63.13 C ATOM 496 CD1 LEU A 33 15.797 2.986 -7.576 1.00 3.10 C ATOM 497 CD2 LEU A 33 13.790 1.436 -7.626 1.00 64.41 C ATOM 0 H LEU A 33 15.205 -0.322 -10.713 1.00 35.14 H new ATOM 0 HA LEU A 33 15.838 2.358 -9.831 1.00 52.42 H new ATOM 0 HB2 LEU A 33 15.413 -0.227 -8.716 1.00 33.11 H new ATOM 0 HB3 LEU A 33 16.973 0.368 -8.183 1.00 33.11 H new ATOM 0 HG LEU A 33 15.586 1.151 -6.527 1.00 63.13 H new ATOM 0 HD11 LEU A 33 15.291 3.575 -6.811 1.00 3.10 H new ATOM 0 HD12 LEU A 33 16.873 3.018 -7.405 1.00 3.10 H new ATOM 0 HD13 LEU A 33 15.573 3.399 -8.559 1.00 3.10 H new ATOM 0 HD21 LEU A 33 13.324 2.056 -6.860 1.00 64.41 H new ATOM 0 HD22 LEU A 33 13.477 1.781 -8.612 1.00 64.41 H new ATOM 0 HD23 LEU A 33 13.483 0.399 -7.490 1.00 64.41 H new ATOM 509 N TRP A 34 18.310 0.287 -10.493 1.00 53.45 N ATOM 510 CA TRP A 34 19.710 0.235 -10.879 1.00 12.21 C ATOM 511 C TRP A 34 19.792 -0.370 -12.282 1.00 52.52 C ATOM 512 O TRP A 34 20.325 0.251 -13.200 1.00 3.24 O ATOM 513 CB TRP A 34 20.535 -0.536 -9.847 1.00 5.34 C ATOM 514 CG TRP A 34 20.197 -2.025 -9.764 1.00 33.11 C ATOM 515 CD1 TRP A 34 19.321 -2.629 -8.949 1.00 4.34 C ATOM 516 CD2 TRP A 34 20.766 -3.081 -10.567 1.00 43.24 C ATOM 517 NE1 TRP A 34 19.285 -3.991 -9.165 1.00 4.41 N ATOM 518 CE2 TRP A 34 20.192 -4.275 -10.180 1.00 10.12 C ATOM 519 CE3 TRP A 34 21.735 -3.029 -11.584 1.00 54.24 C ATOM 520 CZ2 TRP A 34 20.521 -5.507 -10.758 1.00 4.14 C ATOM 521 CZ3 TRP A 34 22.053 -4.269 -12.153 1.00 64.25 C ATOM 522 CH2 TRP A 34 21.483 -5.480 -11.774 1.00 54.12 C ATOM 0 H TRP A 34 17.872 -0.624 -10.356 1.00 53.45 H new ATOM 0 HA TRP A 34 20.140 1.236 -10.906 1.00 12.21 H new ATOM 0 HB2 TRP A 34 21.592 -0.427 -10.088 1.00 5.34 H new ATOM 0 HB3 TRP A 34 20.384 -0.085 -8.866 1.00 5.34 H new ATOM 0 HD1 TRP A 34 18.719 -2.114 -8.215 1.00 4.34 H new ATOM 0 HE1 TRP A 34 18.701 -4.666 -8.671 1.00 4.41 H new ATOM 0 HE3 TRP A 34 22.198 -2.106 -11.902 1.00 54.24 H new ATOM 0 HZ2 TRP A 34 20.058 -6.428 -10.437 1.00 4.14 H new ATOM 0 HZ3 TRP A 34 22.792 -4.286 -12.940 1.00 64.25 H new ATOM 0 HH2 TRP A 34 21.782 -6.396 -12.262 1.00 54.12 H new ATOM 533 N ASN A 35 19.256 -1.576 -12.403 1.00 13.02 N ATOM 534 CA ASN A 35 19.262 -2.272 -13.679 1.00 41.20 C ATOM 535 C ASN A 35 20.653 -2.165 -14.307 1.00 55.21 C ATOM 536 O ASN A 35 21.002 -2.948 -15.189 1.00 71.21 O ATOM 537 CB ASN A 35 18.256 -1.651 -14.650 1.00 54.13 C ATOM 538 CG ASN A 35 18.669 -1.902 -16.102 1.00 74.24 C ATOM 539 OD1 ASN A 35 19.568 -1.275 -16.636 1.00 12.34 O ATOM 540 ND2 ASN A 35 17.963 -2.852 -16.708 1.00 73.04 N ATOM 0 H ASN A 35 18.815 -2.088 -11.639 1.00 13.02 H new ATOM 0 HA ASN A 35 18.992 -3.312 -13.497 1.00 41.20 H new ATOM 0 HB2 ASN A 35 17.266 -2.071 -14.472 1.00 54.13 H new ATOM 0 HB3 ASN A 35 18.184 -0.579 -14.469 1.00 54.13 H new ATOM 0 HD21 ASN A 35 18.162 -3.094 -17.679 1.00 73.04 H new ATOM 0 HD22 ASN A 35 17.223 -3.339 -16.202 1.00 73.04 H new TER 547 ASN A 35