USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=4 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 Set 1.1: A 20 ASN : amide:sc= -0.253 K(o=-0.27,f=-1.4!) USER MOD Set 1.2: A 22 GLN : amide:sc= -0.021 K(o=-0.27,f=-2.1!) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0944 (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+ -157:sc= -0.0309 (180deg=-0.232) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -61:sc= 1.11 USER MOD Single : A 35 ASN : amide:sc= -0.0483 X(o=-0.048,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.567 -2.972 -11.779 1.00 10.54 N ATOM 2 CA GLY A 1 -23.030 -2.779 -10.444 1.00 3.02 C ATOM 3 C GLY A 1 -24.133 -2.880 -9.389 1.00 30.22 C ATOM 4 O GLY A 1 -25.315 -2.783 -9.712 1.00 73.53 O ATOM 0 H1 GLY A 1 -23.338 -3.931 -12.110 1.00 10.54 H new ATOM 0 H2 GLY A 1 -24.600 -2.850 -11.759 1.00 10.54 H new ATOM 0 H3 GLY A 1 -23.149 -2.273 -12.426 1.00 10.54 H new ATOM 0 HA2 GLY A 1 -22.262 -3.527 -10.245 1.00 3.02 H new ATOM 0 HA3 GLY A 1 -22.548 -1.803 -10.379 1.00 3.02 H new ATOM 8 N ILE A 2 -23.707 -3.074 -8.149 1.00 10.13 N ATOM 9 CA ILE A 2 -24.644 -3.190 -7.045 1.00 2.24 C ATOM 10 C ILE A 2 -24.515 -1.963 -6.141 1.00 21.34 C ATOM 11 O ILE A 2 -25.502 -1.284 -5.863 1.00 11.32 O ATOM 12 CB ILE A 2 -24.447 -4.517 -6.311 1.00 44.20 C ATOM 13 CG1 ILE A 2 -25.280 -5.628 -6.953 1.00 2.21 C ATOM 14 CG2 ILE A 2 -24.744 -4.369 -4.817 1.00 14.25 C ATOM 15 CD1 ILE A 2 -24.399 -6.812 -7.356 1.00 13.44 C ATOM 0 H ILE A 2 -22.725 -3.154 -7.885 1.00 10.13 H new ATOM 0 HA ILE A 2 -25.669 -3.207 -7.416 1.00 2.24 H new ATOM 0 HB ILE A 2 -23.400 -4.805 -6.403 1.00 44.20 H new ATOM 0 HG12 ILE A 2 -26.047 -5.962 -6.254 1.00 2.21 H new ATOM 0 HG13 ILE A 2 -25.796 -5.239 -7.831 1.00 2.21 H new ATOM 0 HG21 ILE A 2 -24.596 -5.328 -4.320 1.00 14.25 H new ATOM 0 HG22 ILE A 2 -24.072 -3.628 -4.384 1.00 14.25 H new ATOM 0 HG23 ILE A 2 -25.776 -4.046 -4.681 1.00 14.25 H new ATOM 0 HD11 ILE A 2 -25.017 -7.587 -7.810 1.00 13.44 H new ATOM 0 HD12 ILE A 2 -23.649 -6.480 -8.073 1.00 13.44 H new ATOM 0 HD13 ILE A 2 -23.903 -7.214 -6.472 1.00 13.44 H new ATOM 27 N GLY A 3 -23.287 -1.714 -5.706 1.00 54.14 N ATOM 28 CA GLY A 3 -23.016 -0.580 -4.840 1.00 22.15 C ATOM 29 C GLY A 3 -21.520 -0.257 -4.812 1.00 74.24 C ATOM 30 O GLY A 3 -20.705 -1.105 -4.452 1.00 30.13 O ATOM 0 H GLY A 3 -22.470 -2.279 -5.938 1.00 54.14 H new ATOM 0 HA2 GLY A 3 -23.573 0.290 -5.188 1.00 22.15 H new ATOM 0 HA3 GLY A 3 -23.364 -0.798 -3.830 1.00 22.15 H new ATOM 34 N ALA A 4 -21.206 0.971 -5.198 1.00 71.24 N ATOM 35 CA ALA A 4 -19.823 1.418 -5.222 1.00 65.04 C ATOM 36 C ALA A 4 -19.349 1.671 -3.789 1.00 11.41 C ATOM 37 O ALA A 4 -18.158 1.864 -3.551 1.00 31.14 O ATOM 38 CB ALA A 4 -19.703 2.660 -6.104 1.00 74.12 C ATOM 0 H ALA A 4 -21.885 1.671 -5.497 1.00 71.24 H new ATOM 0 HA ALA A 4 -19.179 0.651 -5.652 1.00 65.04 H new ATOM 0 HB1 ALA A 4 -18.666 2.995 -6.122 1.00 74.12 H new ATOM 0 HB2 ALA A 4 -20.024 2.419 -7.117 1.00 74.12 H new ATOM 0 HB3 ALA A 4 -20.334 3.453 -5.703 1.00 74.12 H new ATOM 44 N PHE A 5 -20.305 1.662 -2.872 1.00 52.11 N ATOM 45 CA PHE A 5 -20.000 1.890 -1.470 1.00 44.22 C ATOM 46 C PHE A 5 -19.062 0.808 -0.931 1.00 44.54 C ATOM 47 O PHE A 5 -18.000 1.115 -0.391 1.00 2.30 O ATOM 48 CB PHE A 5 -21.325 1.824 -0.708 1.00 55.10 C ATOM 49 CG PHE A 5 -22.418 2.727 -1.283 1.00 32.21 C ATOM 50 CD1 PHE A 5 -22.231 4.074 -1.335 1.00 61.22 C ATOM 51 CD2 PHE A 5 -23.578 2.184 -1.742 1.00 42.41 C ATOM 52 CE1 PHE A 5 -23.246 4.911 -1.868 1.00 72.12 C ATOM 53 CE2 PHE A 5 -24.592 3.022 -2.275 1.00 51.42 C ATOM 54 CZ PHE A 5 -24.405 4.368 -2.328 1.00 62.54 C ATOM 0 H PHE A 5 -21.292 1.500 -3.073 1.00 52.11 H new ATOM 0 HA PHE A 5 -19.508 2.855 -1.348 1.00 44.22 H new ATOM 0 HB2 PHE A 5 -21.682 0.794 -0.708 1.00 55.10 H new ATOM 0 HB3 PHE A 5 -21.149 2.100 0.332 1.00 55.10 H new ATOM 0 HD1 PHE A 5 -21.311 4.506 -0.971 1.00 61.22 H new ATOM 0 HD2 PHE A 5 -23.727 1.115 -1.701 1.00 42.41 H new ATOM 0 HE1 PHE A 5 -23.098 5.980 -1.908 1.00 72.12 H new ATOM 0 HE2 PHE A 5 -25.513 2.590 -2.639 1.00 51.42 H new ATOM 0 HZ PHE A 5 -25.176 5.005 -2.735 1.00 62.54 H new ATOM 64 N GLY A 6 -19.488 -0.436 -1.097 1.00 64.25 N ATOM 65 CA GLY A 6 -18.698 -1.565 -0.634 1.00 73.34 C ATOM 66 C GLY A 6 -17.338 -1.606 -1.332 1.00 50.33 C ATOM 67 O GLY A 6 -16.352 -2.054 -0.750 1.00 4.04 O ATOM 0 H GLY A 6 -20.369 -0.687 -1.545 1.00 64.25 H new ATOM 0 HA2 GLY A 6 -18.555 -1.495 0.444 1.00 73.34 H new ATOM 0 HA3 GLY A 6 -19.237 -2.493 -0.825 1.00 73.34 H new ATOM 71 N LEU A 7 -17.330 -1.135 -2.570 1.00 12.34 N ATOM 72 CA LEU A 7 -16.106 -1.112 -3.354 1.00 72.03 C ATOM 73 C LEU A 7 -15.204 0.015 -2.850 1.00 20.04 C ATOM 74 O LEU A 7 -13.983 -0.057 -2.981 1.00 43.12 O ATOM 75 CB LEU A 7 -16.429 -1.022 -4.847 1.00 35.00 C ATOM 76 CG LEU A 7 -15.244 -1.192 -5.801 1.00 51.23 C ATOM 77 CD1 LEU A 7 -15.260 -2.578 -6.451 1.00 30.23 C ATOM 78 CD2 LEU A 7 -15.212 -0.071 -6.841 1.00 65.22 C ATOM 0 H LEU A 7 -18.151 -0.766 -3.050 1.00 12.34 H new ATOM 0 HA LEU A 7 -15.553 -2.043 -3.227 1.00 72.03 H new ATOM 0 HB2 LEU A 7 -17.173 -1.783 -5.084 1.00 35.00 H new ATOM 0 HB3 LEU A 7 -16.890 -0.054 -5.041 1.00 35.00 H new ATOM 0 HG LEU A 7 -14.324 -1.118 -5.221 1.00 51.23 H new ATOM 0 HD11 LEU A 7 -14.408 -2.674 -7.124 1.00 30.23 H new ATOM 0 HD12 LEU A 7 -15.199 -3.343 -5.677 1.00 30.23 H new ATOM 0 HD13 LEU A 7 -16.184 -2.705 -7.015 1.00 30.23 H new ATOM 0 HD21 LEU A 7 -14.361 -0.216 -7.506 1.00 65.22 H new ATOM 0 HD22 LEU A 7 -16.134 -0.088 -7.423 1.00 65.22 H new ATOM 0 HD23 LEU A 7 -15.119 0.891 -6.337 1.00 65.22 H new ATOM 90 N LEU A 8 -15.839 1.031 -2.285 1.00 52.11 N ATOM 91 CA LEU A 8 -15.108 2.173 -1.761 1.00 55.32 C ATOM 92 C LEU A 8 -14.334 1.747 -0.512 1.00 12.24 C ATOM 93 O LEU A 8 -13.282 2.309 -0.208 1.00 54.54 O ATOM 94 CB LEU A 8 -16.054 3.353 -1.526 1.00 3.54 C ATOM 95 CG LEU A 8 -15.389 4.717 -1.335 1.00 40.30 C ATOM 96 CD1 LEU A 8 -14.982 4.929 0.125 1.00 13.42 C ATOM 97 CD2 LEU A 8 -14.206 4.890 -2.290 1.00 0.12 C ATOM 0 H LEU A 8 -16.852 1.088 -2.178 1.00 52.11 H new ATOM 0 HA LEU A 8 -14.375 2.522 -2.488 1.00 55.32 H new ATOM 0 HB2 LEU A 8 -16.737 3.419 -2.373 1.00 3.54 H new ATOM 0 HB3 LEU A 8 -16.658 3.139 -0.644 1.00 3.54 H new ATOM 0 HG LEU A 8 -16.118 5.489 -1.582 1.00 40.30 H new ATOM 0 HD11 LEU A 8 -14.512 5.906 0.233 1.00 13.42 H new ATOM 0 HD12 LEU A 8 -15.866 4.880 0.760 1.00 13.42 H new ATOM 0 HD13 LEU A 8 -14.278 4.152 0.423 1.00 13.42 H new ATOM 0 HD21 LEU A 8 -13.752 5.868 -2.133 1.00 0.12 H new ATOM 0 HD22 LEU A 8 -13.467 4.112 -2.099 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -14.555 4.813 -3.320 1.00 0.12 H new ATOM 109 N GLY A 9 -14.884 0.758 0.178 1.00 23.14 N ATOM 110 CA GLY A 9 -14.257 0.251 1.386 1.00 71.31 C ATOM 111 C GLY A 9 -13.012 -0.574 1.055 1.00 12.21 C ATOM 112 O GLY A 9 -12.062 -0.611 1.835 1.00 44.42 O ATOM 0 H GLY A 9 -15.756 0.295 -0.077 1.00 23.14 H new ATOM 0 HA2 GLY A 9 -13.984 1.083 2.035 1.00 71.31 H new ATOM 0 HA3 GLY A 9 -14.968 -0.363 1.938 1.00 71.31 H new ATOM 116 N PHE A 10 -13.057 -1.214 -0.104 1.00 14.42 N ATOM 117 CA PHE A 10 -11.944 -2.036 -0.549 1.00 33.54 C ATOM 118 C PHE A 10 -10.895 -1.191 -1.274 1.00 2.15 C ATOM 119 O PHE A 10 -9.695 -1.431 -1.135 1.00 75.04 O ATOM 120 CB PHE A 10 -12.513 -3.068 -1.525 1.00 64.21 C ATOM 121 CG PHE A 10 -11.817 -3.087 -2.887 1.00 22.34 C ATOM 122 CD1 PHE A 10 -10.496 -3.401 -2.972 1.00 12.11 C ATOM 123 CD2 PHE A 10 -12.518 -2.788 -4.013 1.00 32.40 C ATOM 124 CE1 PHE A 10 -9.850 -3.417 -4.237 1.00 65.43 C ATOM 125 CE2 PHE A 10 -11.873 -2.804 -5.278 1.00 44.23 C ATOM 126 CZ PHE A 10 -10.552 -3.119 -5.363 1.00 20.43 C ATOM 0 H PHE A 10 -13.847 -1.180 -0.749 1.00 14.42 H new ATOM 0 HA PHE A 10 -11.463 -2.508 0.308 1.00 33.54 H new ATOM 0 HB2 PHE A 10 -12.437 -4.058 -1.076 1.00 64.21 H new ATOM 0 HB3 PHE A 10 -13.574 -2.866 -1.673 1.00 64.21 H new ATOM 0 HD1 PHE A 10 -9.939 -3.638 -2.078 1.00 12.11 H new ATOM 0 HD2 PHE A 10 -13.566 -2.538 -3.945 1.00 32.40 H new ATOM 0 HE1 PHE A 10 -8.801 -3.666 -4.305 1.00 65.43 H new ATOM 0 HE2 PHE A 10 -12.431 -2.566 -6.172 1.00 44.23 H new ATOM 0 HZ PHE A 10 -10.061 -3.132 -6.325 1.00 20.43 H new ATOM 136 N LEU A 11 -11.382 -0.220 -2.031 1.00 12.11 N ATOM 137 CA LEU A 11 -10.501 0.662 -2.778 1.00 32.11 C ATOM 138 C LEU A 11 -9.597 1.417 -1.802 1.00 34.43 C ATOM 139 O LEU A 11 -8.389 1.511 -2.015 1.00 21.52 O ATOM 140 CB LEU A 11 -11.312 1.576 -3.699 1.00 24.52 C ATOM 141 CG LEU A 11 -10.554 2.757 -4.308 1.00 60.43 C ATOM 142 CD1 LEU A 11 -10.236 3.811 -3.245 1.00 53.40 C ATOM 143 CD2 LEU A 11 -9.297 2.283 -5.039 1.00 20.11 C ATOM 0 H LEU A 11 -12.377 -0.024 -2.144 1.00 12.11 H new ATOM 0 HA LEU A 11 -9.850 0.084 -3.435 1.00 32.11 H new ATOM 0 HB2 LEU A 11 -11.718 0.973 -4.511 1.00 24.52 H new ATOM 0 HB3 LEU A 11 -12.160 1.966 -3.136 1.00 24.52 H new ATOM 0 HG LEU A 11 -11.198 3.231 -5.049 1.00 60.43 H new ATOM 0 HD11 LEU A 11 -9.697 4.640 -3.704 1.00 53.40 H new ATOM 0 HD12 LEU A 11 -11.164 4.179 -2.809 1.00 53.40 H new ATOM 0 HD13 LEU A 11 -9.620 3.366 -2.464 1.00 53.40 H new ATOM 0 HD21 LEU A 11 -8.777 3.142 -5.463 1.00 20.11 H new ATOM 0 HD22 LEU A 11 -8.639 1.770 -4.337 1.00 20.11 H new ATOM 0 HD23 LEU A 11 -9.578 1.598 -5.839 1.00 20.11 H new ATOM 155 N ALA A 12 -10.216 1.938 -0.752 1.00 1.42 N ATOM 156 CA ALA A 12 -9.482 2.681 0.256 1.00 33.54 C ATOM 157 C ALA A 12 -8.564 1.726 1.022 1.00 32.02 C ATOM 158 O ALA A 12 -7.522 2.136 1.532 1.00 51.31 O ATOM 159 CB ALA A 12 -10.468 3.405 1.176 1.00 70.52 C ATOM 0 H ALA A 12 -11.218 1.860 -0.579 1.00 1.42 H new ATOM 0 HA ALA A 12 -8.853 3.439 -0.210 1.00 33.54 H new ATOM 0 HB1 ALA A 12 -9.917 3.963 1.933 1.00 70.52 H new ATOM 0 HB2 ALA A 12 -11.076 4.093 0.588 1.00 70.52 H new ATOM 0 HB3 ALA A 12 -11.115 2.675 1.663 1.00 70.52 H new ATOM 165 N ALA A 13 -8.985 0.471 1.078 1.00 23.42 N ATOM 166 CA ALA A 13 -8.214 -0.545 1.774 1.00 2.23 C ATOM 167 C ALA A 13 -6.982 -0.903 0.939 1.00 45.13 C ATOM 168 O ALA A 13 -5.954 -1.302 1.484 1.00 12.14 O ATOM 169 CB ALA A 13 -9.102 -1.759 2.052 1.00 42.14 C ATOM 0 H ALA A 13 -9.849 0.135 0.653 1.00 23.42 H new ATOM 0 HA ALA A 13 -7.864 -0.170 2.736 1.00 2.23 H new ATOM 0 HB1 ALA A 13 -8.523 -2.521 2.574 1.00 42.14 H new ATOM 0 HB2 ALA A 13 -9.947 -1.458 2.671 1.00 42.14 H new ATOM 0 HB3 ALA A 13 -9.469 -2.165 1.109 1.00 42.14 H new ATOM 175 N GLY A 14 -7.127 -0.750 -0.368 1.00 54.32 N ATOM 176 CA GLY A 14 -6.039 -1.052 -1.283 1.00 54.34 C ATOM 177 C GLY A 14 -5.080 0.134 -1.405 1.00 50.42 C ATOM 178 O GLY A 14 -3.864 -0.046 -1.410 1.00 5.33 O ATOM 0 H GLY A 14 -7.982 -0.421 -0.816 1.00 54.32 H new ATOM 0 HA2 GLY A 14 -5.496 -1.929 -0.931 1.00 54.34 H new ATOM 0 HA3 GLY A 14 -6.443 -1.300 -2.265 1.00 54.34 H new ATOM 182 N SER A 15 -5.664 1.319 -1.502 1.00 70.14 N ATOM 183 CA SER A 15 -4.877 2.534 -1.624 1.00 1.30 C ATOM 184 C SER A 15 -3.825 2.589 -0.514 1.00 5.45 C ATOM 185 O SER A 15 -2.705 3.048 -0.738 1.00 12.51 O ATOM 186 CB SER A 15 -5.768 3.776 -1.572 1.00 73.45 C ATOM 187 OG SER A 15 -5.759 4.386 -0.284 1.00 11.10 O ATOM 0 H SER A 15 -6.674 1.464 -1.499 1.00 70.14 H new ATOM 0 HA SER A 15 -4.376 2.521 -2.592 1.00 1.30 H new ATOM 0 HB2 SER A 15 -5.430 4.496 -2.317 1.00 73.45 H new ATOM 0 HB3 SER A 15 -6.789 3.501 -1.836 1.00 73.45 H new ATOM 0 HG SER A 15 -6.339 5.176 -0.292 1.00 11.10 H new ATOM 193 N LYS A 16 -4.221 2.114 0.657 1.00 61.41 N ATOM 194 CA LYS A 16 -3.326 2.104 1.802 1.00 25.23 C ATOM 195 C LYS A 16 -2.223 1.069 1.572 1.00 31.35 C ATOM 196 O LYS A 16 -1.118 1.205 2.098 1.00 55.31 O ATOM 197 CB LYS A 16 -4.113 1.886 3.096 1.00 15.42 C ATOM 198 CG LYS A 16 -5.056 3.060 3.368 1.00 11.24 C ATOM 199 CD LYS A 16 -4.403 4.081 4.302 1.00 52.04 C ATOM 200 CE LYS A 16 -4.436 3.596 5.753 1.00 14.04 C ATOM 201 NZ LYS A 16 -3.966 4.662 6.666 1.00 43.11 N ATOM 0 H LYS A 16 -5.150 1.733 0.838 1.00 61.41 H new ATOM 0 HA LYS A 16 -2.838 3.072 1.912 1.00 25.23 H new ATOM 0 HB2 LYS A 16 -4.687 0.962 3.025 1.00 15.42 H new ATOM 0 HB3 LYS A 16 -3.422 1.769 3.931 1.00 15.42 H new ATOM 0 HG2 LYS A 16 -5.324 3.541 2.428 1.00 11.24 H new ATOM 0 HG3 LYS A 16 -5.981 2.693 3.814 1.00 11.24 H new ATOM 0 HD2 LYS A 16 -3.371 4.252 3.995 1.00 52.04 H new ATOM 0 HD3 LYS A 16 -4.922 5.036 4.222 1.00 52.04 H new ATOM 0 HE2 LYS A 16 -5.450 3.300 6.021 1.00 14.04 H new ATOM 0 HE3 LYS A 16 -3.807 2.712 5.862 1.00 14.04 H new ATOM 0 HZ1 LYS A 16 -3.995 4.317 7.647 1.00 43.11 H new ATOM 0 HZ2 LYS A 16 -2.990 4.925 6.420 1.00 43.11 H new ATOM 0 HZ3 LYS A 16 -4.582 5.495 6.574 1.00 43.11 H new ATOM 214 N LYS A 17 -2.559 0.058 0.786 1.00 40.51 N ATOM 215 CA LYS A 17 -1.611 -1.000 0.479 1.00 62.14 C ATOM 216 C LYS A 17 -0.730 -0.566 -0.694 1.00 34.24 C ATOM 217 O LYS A 17 0.396 -1.038 -0.838 1.00 2.52 O ATOM 218 CB LYS A 17 -2.342 -2.323 0.242 1.00 42.53 C ATOM 219 CG LYS A 17 -2.250 -3.229 1.472 1.00 33.33 C ATOM 220 CD LYS A 17 -1.356 -4.439 1.197 1.00 33.14 C ATOM 221 CE LYS A 17 -0.412 -4.702 2.372 1.00 44.45 C ATOM 222 NZ LYS A 17 0.602 -3.629 2.473 1.00 71.23 N ATOM 0 H LYS A 17 -3.475 -0.052 0.352 1.00 40.51 H new ATOM 0 HA LYS A 17 -0.949 -1.175 1.327 1.00 62.14 H new ATOM 0 HB2 LYS A 17 -3.388 -2.127 0.008 1.00 42.53 H new ATOM 0 HB3 LYS A 17 -1.912 -2.831 -0.621 1.00 42.53 H new ATOM 0 HG2 LYS A 17 -1.853 -2.664 2.315 1.00 33.33 H new ATOM 0 HG3 LYS A 17 -3.247 -3.566 1.755 1.00 33.33 H new ATOM 0 HD2 LYS A 17 -1.974 -5.319 1.018 1.00 33.14 H new ATOM 0 HD3 LYS A 17 -0.775 -4.268 0.291 1.00 33.14 H new ATOM 0 HE2 LYS A 17 -0.983 -4.759 3.299 1.00 44.45 H new ATOM 0 HE3 LYS A 17 0.081 -5.665 2.241 1.00 44.45 H new ATOM 0 HZ1 LYS A 17 1.436 -3.986 2.982 1.00 71.23 H new ATOM 0 HZ2 LYS A 17 0.883 -3.326 1.519 1.00 71.23 H new ATOM 0 HZ3 LYS A 17 0.201 -2.820 2.989 1.00 71.23 H new HETATM 235 C1 ACA A 18 1.857 0.633 -6.264 1.00 33.41 C HETATM 236 O1 ACA A 18 2.965 0.307 -5.837 1.00 54.05 O HETATM 237 C2 ACA A 18 1.102 0.848 -5.009 1.00 64.04 C HETATM 238 C3 ACA A 18 -0.030 1.851 -5.230 1.00 54.12 C HETATM 239 C4 ACA A 18 -0.099 2.864 -4.084 1.00 4.24 C HETATM 240 C5 ACA A 18 -0.897 2.305 -2.905 1.00 44.22 C HETATM 241 C6 ACA A 18 -0.555 0.834 -2.659 1.00 5.31 C HETATM 242 N6 ACA A 18 -1.277 0.331 -1.503 1.00 50.33 N HETATM 0 HN61 ACA A 18 -1.905 0.947 -0.986 1.00 50.33 H new HETATM 0 H62 ACA A 18 -0.809 0.243 -3.539 1.00 5.31 H new HETATM 0 H61 ACA A 18 0.518 0.725 -2.501 1.00 5.31 H new HETATM 0 H52 ACA A 18 -0.683 2.887 -2.008 1.00 44.22 H new HETATM 0 H51 ACA A 18 -1.964 2.406 -3.103 1.00 44.22 H new HETATM 0 H42 ACA A 18 0.909 3.118 -3.757 1.00 4.24 H new HETATM 0 H41 ACA A 18 -0.562 3.786 -4.436 1.00 4.24 H new HETATM 0 H32 ACA A 18 0.123 2.375 -6.174 1.00 54.12 H new HETATM 0 H31 ACA A 18 -0.979 1.321 -5.309 1.00 54.12 H new HETATM 0 H22 ACA A 18 0.693 -0.099 -4.657 1.00 64.04 H new HETATM 0 H21 ACA A 18 1.773 1.214 -4.232 1.00 64.04 H new ATOM 254 N LYS A 19 1.160 -0.061 -7.150 1.00 45.05 N ATOM 255 CA LYS A 19 1.675 -1.304 -7.699 1.00 10.34 C ATOM 256 C LYS A 19 2.015 -1.101 -9.178 1.00 73.53 C ATOM 257 O LYS A 19 3.081 -1.509 -9.635 1.00 1.12 O ATOM 258 CB LYS A 19 0.693 -2.450 -7.447 1.00 0.32 C ATOM 259 CG LYS A 19 0.915 -3.066 -6.065 1.00 73.54 C ATOM 260 CD LYS A 19 2.115 -4.014 -6.071 1.00 14.41 C ATOM 261 CE LYS A 19 3.063 -3.707 -4.911 1.00 33.44 C ATOM 262 NZ LYS A 19 3.938 -4.868 -4.635 1.00 10.04 N ATOM 0 HA LYS A 19 2.598 -1.589 -7.194 1.00 10.34 H new ATOM 0 HB2 LYS A 19 -0.330 -2.081 -7.525 1.00 0.32 H new ATOM 0 HB3 LYS A 19 0.816 -3.215 -8.214 1.00 0.32 H new ATOM 0 HG2 LYS A 19 1.076 -2.275 -5.333 1.00 73.54 H new ATOM 0 HG3 LYS A 19 0.021 -3.608 -5.757 1.00 73.54 H new ATOM 0 HD2 LYS A 19 1.769 -5.045 -5.999 1.00 14.41 H new ATOM 0 HD3 LYS A 19 2.650 -3.923 -7.016 1.00 14.41 H new ATOM 0 HE2 LYS A 19 3.671 -2.835 -5.152 1.00 33.44 H new ATOM 0 HE3 LYS A 19 2.487 -3.458 -4.019 1.00 33.44 H new ATOM 0 HZ1 LYS A 19 4.575 -4.642 -3.845 1.00 10.04 H new ATOM 0 HZ2 LYS A 19 3.354 -5.691 -4.385 1.00 10.04 H new ATOM 0 HZ3 LYS A 19 4.501 -5.088 -5.482 1.00 10.04 H new ATOM 275 N ASN A 20 1.088 -0.468 -9.883 1.00 40.32 N ATOM 276 CA ASN A 20 1.277 -0.206 -11.300 1.00 30.11 C ATOM 277 C ASN A 20 1.316 1.306 -11.533 1.00 2.02 C ATOM 278 O ASN A 20 0.802 2.076 -10.724 1.00 23.53 O ATOM 279 CB ASN A 20 0.123 -0.781 -12.124 1.00 11.34 C ATOM 280 CG ASN A 20 0.645 -1.714 -13.220 1.00 60.55 C ATOM 281 OD1 ASN A 20 1.678 -2.348 -13.090 1.00 33.05 O ATOM 282 ND2 ASN A 20 -0.129 -1.763 -14.301 1.00 25.04 N ATOM 0 H ASN A 20 0.205 -0.129 -9.500 1.00 40.32 H new ATOM 0 HA ASN A 20 2.211 -0.676 -11.609 1.00 30.11 H new ATOM 0 HB2 ASN A 20 -0.559 -1.326 -11.471 1.00 11.34 H new ATOM 0 HB3 ASN A 20 -0.448 0.031 -12.574 1.00 11.34 H new ATOM 0 HD21 ASN A 20 0.130 -2.359 -15.087 1.00 25.04 H new ATOM 0 HD22 ASN A 20 -0.982 -1.205 -14.343 1.00 25.04 H new ATOM 289 N GLU A 21 1.932 1.685 -12.643 1.00 3.44 N ATOM 290 CA GLU A 21 2.046 3.091 -12.992 1.00 3.14 C ATOM 291 C GLU A 21 0.681 3.774 -12.899 1.00 42.31 C ATOM 292 O GLU A 21 0.581 4.912 -12.444 1.00 25.50 O ATOM 293 CB GLU A 21 2.651 3.262 -14.388 1.00 63.13 C ATOM 294 CG GLU A 21 3.449 4.563 -14.484 1.00 4.05 C ATOM 295 CD GLU A 21 3.340 5.172 -15.883 1.00 42.53 C ATOM 296 OE1 GLU A 21 2.798 6.276 -16.039 1.00 22.02 O ATOM 297 OE2 GLU A 21 3.844 4.455 -16.831 1.00 74.14 O ATOM 0 H GLU A 21 2.357 1.043 -13.312 1.00 3.44 H new ATOM 0 HA GLU A 21 2.718 3.569 -12.279 1.00 3.14 H new ATOM 0 HB2 GLU A 21 3.300 2.416 -14.613 1.00 63.13 H new ATOM 0 HB3 GLU A 21 1.857 3.262 -15.135 1.00 63.13 H new ATOM 0 HG2 GLU A 21 3.082 5.274 -13.744 1.00 4.05 H new ATOM 0 HG3 GLU A 21 4.496 4.370 -14.248 1.00 4.05 H new ATOM 305 N GLN A 22 -0.339 3.050 -13.338 1.00 44.32 N ATOM 306 CA GLN A 22 -1.695 3.571 -13.309 1.00 1.13 C ATOM 307 C GLN A 22 -2.032 4.094 -11.912 1.00 60.34 C ATOM 308 O GLN A 22 -2.443 5.243 -11.758 1.00 71.33 O ATOM 309 CB GLN A 22 -2.701 2.508 -13.755 1.00 23.43 C ATOM 310 CG GLN A 22 -2.938 2.577 -15.265 1.00 33.04 C ATOM 311 CD GLN A 22 -1.804 1.893 -16.031 1.00 50.25 C ATOM 312 OE1 GLN A 22 -1.186 0.951 -15.564 1.00 24.34 O ATOM 313 NE2 GLN A 22 -1.568 2.417 -17.230 1.00 2.14 N ATOM 0 H GLN A 22 -0.253 2.106 -13.716 1.00 44.32 H new ATOM 0 HA GLN A 22 -1.760 4.402 -14.012 1.00 1.13 H new ATOM 0 HB2 GLN A 22 -2.333 1.518 -13.486 1.00 23.43 H new ATOM 0 HB3 GLN A 22 -3.644 2.651 -13.228 1.00 23.43 H new ATOM 0 HG2 GLN A 22 -3.887 2.099 -15.510 1.00 33.04 H new ATOM 0 HG3 GLN A 22 -3.016 3.618 -15.577 1.00 33.04 H new ATOM 0 HE21 GLN A 22 -2.124 3.206 -17.560 1.00 2.14 H new ATOM 0 HE22 GLN A 22 -0.831 2.030 -17.820 1.00 2.14 H new ATOM 322 N GLU A 23 -1.846 3.225 -10.929 1.00 74.35 N ATOM 323 CA GLU A 23 -2.128 3.585 -9.549 1.00 24.33 C ATOM 324 C GLU A 23 -1.378 4.865 -9.172 1.00 72.54 C ATOM 325 O GLU A 23 -1.853 5.645 -8.347 1.00 34.13 O ATOM 326 CB GLU A 23 -1.768 2.440 -8.600 1.00 21.00 C ATOM 327 CG GLU A 23 -2.989 1.994 -7.792 1.00 35.12 C ATOM 328 CD GLU A 23 -3.270 2.966 -6.644 1.00 50.03 C ATOM 329 OE1 GLU A 23 -2.620 2.886 -5.591 1.00 60.24 O ATOM 330 OE2 GLU A 23 -4.202 3.827 -6.875 1.00 75.13 O ATOM 0 H GLU A 23 -1.504 2.273 -11.060 1.00 74.35 H new ATOM 0 HA GLU A 23 -3.198 3.771 -9.453 1.00 24.33 H new ATOM 0 HB2 GLU A 23 -1.378 1.598 -9.172 1.00 21.00 H new ATOM 0 HB3 GLU A 23 -0.976 2.759 -7.923 1.00 21.00 H new ATOM 0 HG2 GLU A 23 -3.860 1.935 -8.445 1.00 35.12 H new ATOM 0 HG3 GLU A 23 -2.821 0.994 -7.394 1.00 35.12 H new ATOM 338 N LEU A 24 -0.222 5.041 -9.793 1.00 20.11 N ATOM 339 CA LEU A 24 0.597 6.212 -9.532 1.00 32.14 C ATOM 340 C LEU A 24 -0.026 7.428 -10.221 1.00 11.23 C ATOM 341 O LEU A 24 0.023 8.538 -9.694 1.00 73.23 O ATOM 342 CB LEU A 24 2.049 5.953 -9.939 1.00 65.15 C ATOM 343 CG LEU A 24 2.918 5.239 -8.902 1.00 4.20 C ATOM 344 CD1 LEU A 24 2.213 3.995 -8.358 1.00 42.31 C ATOM 345 CD2 LEU A 24 4.298 4.911 -9.475 1.00 3.12 C ATOM 0 H LEU A 24 0.167 4.392 -10.477 1.00 20.11 H new ATOM 0 HA LEU A 24 0.623 6.427 -8.464 1.00 32.14 H new ATOM 0 HB2 LEU A 24 2.049 5.361 -10.854 1.00 65.15 H new ATOM 0 HB3 LEU A 24 2.515 6.909 -10.178 1.00 65.15 H new ATOM 0 HG LEU A 24 3.071 5.916 -8.061 1.00 4.20 H new ATOM 0 HD11 LEU A 24 2.853 3.507 -7.623 1.00 42.31 H new ATOM 0 HD12 LEU A 24 1.274 4.286 -7.886 1.00 42.31 H new ATOM 0 HD13 LEU A 24 2.009 3.305 -9.177 1.00 42.31 H new ATOM 0 HD21 LEU A 24 4.895 4.404 -8.717 1.00 3.12 H new ATOM 0 HD22 LEU A 24 4.186 4.262 -10.344 1.00 3.12 H new ATOM 0 HD23 LEU A 24 4.797 5.833 -9.773 1.00 3.12 H new ATOM 357 N LEU A 25 -0.598 7.177 -11.391 1.00 25.23 N ATOM 358 CA LEU A 25 -1.230 8.237 -12.158 1.00 24.22 C ATOM 359 C LEU A 25 -2.507 8.686 -11.444 1.00 64.23 C ATOM 360 O LEU A 25 -2.938 9.828 -11.595 1.00 62.34 O ATOM 361 CB LEU A 25 -1.458 7.791 -13.603 1.00 42.03 C ATOM 362 CG LEU A 25 -2.011 8.853 -14.554 1.00 72.31 C ATOM 363 CD1 LEU A 25 -1.105 9.021 -15.775 1.00 0.33 C ATOM 364 CD2 LEU A 25 -3.454 8.537 -14.950 1.00 14.22 C ATOM 0 H LEU A 25 -0.637 6.255 -11.826 1.00 25.23 H new ATOM 0 HA LEU A 25 -0.575 9.106 -12.217 1.00 24.22 H new ATOM 0 HB2 LEU A 25 -0.511 7.430 -14.004 1.00 42.03 H new ATOM 0 HB3 LEU A 25 -2.145 6.945 -13.597 1.00 42.03 H new ATOM 0 HG LEU A 25 -2.024 9.808 -14.029 1.00 72.31 H new ATOM 0 HD11 LEU A 25 -1.521 9.782 -16.435 1.00 0.33 H new ATOM 0 HD12 LEU A 25 -0.110 9.327 -15.451 1.00 0.33 H new ATOM 0 HD13 LEU A 25 -1.037 8.074 -16.311 1.00 0.33 H new ATOM 0 HD21 LEU A 25 -3.823 9.308 -15.627 1.00 14.22 H new ATOM 0 HD22 LEU A 25 -3.491 7.569 -15.449 1.00 14.22 H new ATOM 0 HD23 LEU A 25 -4.079 8.509 -14.057 1.00 14.22 H new ATOM 376 N GLU A 26 -3.076 7.763 -10.682 1.00 23.43 N ATOM 377 CA GLU A 26 -4.294 8.049 -9.944 1.00 72.23 C ATOM 378 C GLU A 26 -4.070 9.215 -8.978 1.00 14.42 C ATOM 379 O GLU A 26 -4.880 10.137 -8.915 1.00 73.33 O ATOM 380 CB GLU A 26 -4.787 6.807 -9.198 1.00 54.11 C ATOM 381 CG GLU A 26 -6.016 6.208 -9.885 1.00 62.52 C ATOM 382 CD GLU A 26 -7.304 6.638 -9.178 1.00 43.42 C ATOM 383 OE1 GLU A 26 -7.376 6.594 -7.941 1.00 2.11 O ATOM 384 OE2 GLU A 26 -8.251 7.029 -9.962 1.00 64.45 O ATOM 0 H GLU A 26 -2.716 6.817 -10.560 1.00 23.43 H new ATOM 0 HA GLU A 26 -5.067 8.337 -10.656 1.00 72.23 H new ATOM 0 HB2 GLU A 26 -3.991 6.064 -9.156 1.00 54.11 H new ATOM 0 HB3 GLU A 26 -5.033 7.070 -8.169 1.00 54.11 H new ATOM 0 HG2 GLU A 26 -6.046 6.526 -10.927 1.00 62.52 H new ATOM 0 HG3 GLU A 26 -5.943 5.120 -9.885 1.00 62.52 H new ATOM 392 N LEU A 27 -2.965 9.136 -8.252 1.00 41.13 N ATOM 393 CA LEU A 27 -2.623 10.172 -7.293 1.00 72.41 C ATOM 394 C LEU A 27 -2.681 11.537 -7.983 1.00 51.22 C ATOM 395 O LEU A 27 -3.032 12.537 -7.359 1.00 33.22 O ATOM 396 CB LEU A 27 -1.275 9.872 -6.636 1.00 32.22 C ATOM 397 CG LEU A 27 -1.189 10.135 -5.131 1.00 10.32 C ATOM 398 CD1 LEU A 27 -1.471 11.604 -4.814 1.00 21.35 C ATOM 399 CD2 LEU A 27 -2.113 9.194 -4.356 1.00 53.13 C ATOM 0 H LEU A 27 -2.294 8.370 -8.309 1.00 41.13 H new ATOM 0 HA LEU A 27 -3.349 10.193 -6.480 1.00 72.41 H new ATOM 0 HB2 LEU A 27 -1.030 8.825 -6.816 1.00 32.22 H new ATOM 0 HB3 LEU A 27 -0.510 10.468 -7.133 1.00 32.22 H new ATOM 0 HG LEU A 27 -0.170 9.925 -4.806 1.00 10.32 H new ATOM 0 HD11 LEU A 27 -1.403 11.763 -3.738 1.00 21.35 H new ATOM 0 HD12 LEU A 27 -0.739 12.233 -5.321 1.00 21.35 H new ATOM 0 HD13 LEU A 27 -2.472 11.865 -5.157 1.00 21.35 H new ATOM 0 HD21 LEU A 27 -2.032 9.402 -3.289 1.00 53.13 H new ATOM 0 HD22 LEU A 27 -3.143 9.348 -4.679 1.00 53.13 H new ATOM 0 HD23 LEU A 27 -1.823 8.161 -4.547 1.00 53.13 H new ATOM 411 N ASP A 28 -2.331 11.534 -9.261 1.00 43.10 N ATOM 412 CA ASP A 28 -2.338 12.760 -10.042 1.00 44.03 C ATOM 413 C ASP A 28 -3.767 13.303 -10.116 1.00 32.35 C ATOM 414 O ASP A 28 -3.999 14.484 -9.860 1.00 44.11 O ATOM 415 CB ASP A 28 -1.855 12.505 -11.471 1.00 51.23 C ATOM 416 CG ASP A 28 -1.449 13.758 -12.249 1.00 42.23 C ATOM 417 OD1 ASP A 28 -1.479 14.877 -11.718 1.00 14.01 O ATOM 418 OD2 ASP A 28 -1.083 13.547 -13.468 1.00 53.02 O ATOM 0 H ASP A 28 -2.041 10.702 -9.775 1.00 43.10 H new ATOM 0 HA ASP A 28 -1.671 13.473 -9.558 1.00 44.03 H new ATOM 0 HB2 ASP A 28 -1.003 11.826 -11.435 1.00 51.23 H new ATOM 0 HB3 ASP A 28 -2.646 11.995 -12.020 1.00 51.23 H new ATOM 424 N LYS A 29 -4.686 12.416 -10.466 1.00 14.40 N ATOM 425 CA LYS A 29 -6.085 12.793 -10.577 1.00 2.41 C ATOM 426 C LYS A 29 -6.579 13.309 -9.224 1.00 1.25 C ATOM 427 O LYS A 29 -7.447 14.178 -9.166 1.00 10.30 O ATOM 428 CB LYS A 29 -6.911 11.629 -11.130 1.00 52.11 C ATOM 429 CG LYS A 29 -6.338 11.132 -12.459 1.00 31.24 C ATOM 430 CD LYS A 29 -7.190 9.999 -13.034 1.00 62.20 C ATOM 431 CE LYS A 29 -7.188 10.033 -14.563 1.00 34.44 C ATOM 432 NZ LYS A 29 -8.528 10.394 -15.076 1.00 53.34 N ATOM 0 H LYS A 29 -4.490 11.437 -10.676 1.00 14.40 H new ATOM 0 HA LYS A 29 -6.205 13.607 -11.292 1.00 2.41 H new ATOM 0 HB2 LYS A 29 -6.924 10.813 -10.408 1.00 52.11 H new ATOM 0 HB3 LYS A 29 -7.944 11.947 -11.271 1.00 52.11 H new ATOM 0 HG2 LYS A 29 -6.294 11.956 -13.171 1.00 31.24 H new ATOM 0 HG3 LYS A 29 -5.316 10.784 -12.311 1.00 31.24 H new ATOM 0 HD2 LYS A 29 -6.807 9.039 -12.688 1.00 62.20 H new ATOM 0 HD3 LYS A 29 -8.212 10.085 -12.666 1.00 62.20 H new ATOM 0 HE2 LYS A 29 -6.451 10.755 -14.915 1.00 34.44 H new ATOM 0 HE3 LYS A 29 -6.893 9.059 -14.954 1.00 34.44 H new ATOM 0 HZ1 LYS A 29 -8.508 10.412 -16.116 1.00 53.34 H new ATOM 0 HZ2 LYS A 29 -9.224 9.691 -14.755 1.00 53.34 H new ATOM 0 HZ3 LYS A 29 -8.795 11.333 -14.718 1.00 53.34 H new ATOM 445 N TRP A 30 -6.003 12.752 -8.169 1.00 22.40 N ATOM 446 CA TRP A 30 -6.374 13.145 -6.820 1.00 14.20 C ATOM 447 C TRP A 30 -5.939 14.598 -6.615 1.00 40.25 C ATOM 448 O TRP A 30 -6.777 15.480 -6.430 1.00 51.40 O ATOM 449 CB TRP A 30 -5.773 12.190 -5.786 1.00 72.11 C ATOM 450 CG TRP A 30 -6.099 12.558 -4.337 1.00 25.05 C ATOM 451 CD1 TRP A 30 -7.132 12.143 -3.592 1.00 52.14 C ATOM 452 CD2 TRP A 30 -5.338 13.438 -3.482 1.00 1.10 C ATOM 453 NE1 TRP A 30 -7.094 12.689 -2.325 1.00 11.54 N ATOM 454 CE2 TRP A 30 -5.968 13.501 -2.256 1.00 45.12 C ATOM 455 CE3 TRP A 30 -4.156 14.156 -3.736 1.00 15.35 C ATOM 456 CZ2 TRP A 30 -5.491 14.270 -1.188 1.00 75.22 C ATOM 457 CZ3 TRP A 30 -3.693 14.920 -2.659 1.00 61.41 C ATOM 458 CH2 TRP A 30 -4.316 14.995 -1.419 1.00 64.25 C ATOM 0 H TRP A 30 -5.282 12.032 -8.221 1.00 22.40 H new ATOM 0 HA TRP A 30 -7.453 13.081 -6.683 1.00 14.20 H new ATOM 0 HB2 TRP A 30 -6.135 11.181 -5.984 1.00 72.11 H new ATOM 0 HB3 TRP A 30 -4.690 12.170 -5.911 1.00 72.11 H new ATOM 0 HD1 TRP A 30 -7.898 11.466 -3.939 1.00 52.14 H new ATOM 0 HE1 TRP A 30 -7.768 12.527 -1.577 1.00 11.54 H new ATOM 0 HE3 TRP A 30 -3.646 14.121 -4.687 1.00 15.35 H new ATOM 0 HZ2 TRP A 30 -6.002 14.302 -0.237 1.00 75.22 H new ATOM 0 HZ3 TRP A 30 -2.788 15.492 -2.801 1.00 61.41 H new ATOM 0 HH2 TRP A 30 -3.895 15.610 -0.637 1.00 64.25 H new ATOM 469 N ALA A 31 -4.631 14.801 -6.654 1.00 32.44 N ATOM 470 CA ALA A 31 -4.076 16.133 -6.475 1.00 12.00 C ATOM 471 C ALA A 31 -4.725 17.091 -7.476 1.00 1.00 C ATOM 472 O ALA A 31 -4.830 18.288 -7.216 1.00 62.43 O ATOM 473 CB ALA A 31 -2.554 16.076 -6.625 1.00 54.52 C ATOM 0 H ALA A 31 -3.939 14.067 -6.807 1.00 32.44 H new ATOM 0 HA ALA A 31 -4.292 16.507 -5.474 1.00 12.00 H new ATOM 0 HB1 ALA A 31 -2.138 17.074 -6.491 1.00 54.52 H new ATOM 0 HB2 ALA A 31 -2.139 15.406 -5.872 1.00 54.52 H new ATOM 0 HB3 ALA A 31 -2.300 15.707 -7.619 1.00 54.52 H new ATOM 479 N SER A 32 -5.143 16.527 -8.599 1.00 75.34 N ATOM 480 CA SER A 32 -5.780 17.316 -9.640 1.00 32.33 C ATOM 481 C SER A 32 -6.931 18.133 -9.048 1.00 32.00 C ATOM 482 O SER A 32 -7.217 19.235 -9.512 1.00 53.14 O ATOM 483 CB SER A 32 -6.290 16.424 -10.774 1.00 71.22 C ATOM 484 OG SER A 32 -7.678 16.133 -10.640 1.00 54.04 O ATOM 0 H SER A 32 -5.053 15.533 -8.811 1.00 75.34 H new ATOM 0 HA SER A 32 -5.037 17.996 -10.056 1.00 32.33 H new ATOM 0 HB2 SER A 32 -6.113 16.916 -11.730 1.00 71.22 H new ATOM 0 HB3 SER A 32 -5.724 15.493 -10.786 1.00 71.22 H new ATOM 0 HG SER A 32 -7.831 15.650 -9.801 1.00 54.04 H new ATOM 490 N LEU A 33 -7.560 17.560 -8.032 1.00 2.41 N ATOM 491 CA LEU A 33 -8.673 18.221 -7.373 1.00 22.00 C ATOM 492 C LEU A 33 -8.248 19.629 -6.953 1.00 32.11 C ATOM 493 O LEU A 33 -9.013 20.582 -7.100 1.00 4.03 O ATOM 494 CB LEU A 33 -9.194 17.365 -6.216 1.00 30.13 C ATOM 495 CG LEU A 33 -8.258 17.221 -5.014 1.00 64.25 C ATOM 496 CD1 LEU A 33 -8.517 18.319 -3.981 1.00 32.34 C ATOM 497 CD2 LEU A 33 -8.363 15.823 -4.402 1.00 62.31 C ATOM 0 H LEU A 33 -7.320 16.645 -7.649 1.00 2.41 H new ATOM 0 HA LEU A 33 -9.512 18.333 -8.060 1.00 22.00 H new ATOM 0 HB2 LEU A 33 -10.135 17.792 -5.869 1.00 30.13 H new ATOM 0 HB3 LEU A 33 -9.417 16.369 -6.599 1.00 30.13 H new ATOM 0 HG LEU A 33 -7.233 17.344 -5.364 1.00 64.25 H new ATOM 0 HD11 LEU A 33 -7.838 18.193 -3.138 1.00 32.34 H new ATOM 0 HD12 LEU A 33 -8.351 19.295 -4.438 1.00 32.34 H new ATOM 0 HD13 LEU A 33 -9.547 18.253 -3.631 1.00 32.34 H new ATOM 0 HD21 LEU A 33 -7.688 15.747 -3.550 1.00 62.31 H new ATOM 0 HD22 LEU A 33 -9.386 15.647 -4.071 1.00 62.31 H new ATOM 0 HD23 LEU A 33 -8.090 15.077 -5.149 1.00 62.31 H new ATOM 509 N TRP A 34 -7.029 19.717 -6.441 1.00 71.20 N ATOM 510 CA TRP A 34 -6.494 20.994 -5.999 1.00 34.04 C ATOM 511 C TRP A 34 -6.363 21.901 -7.225 1.00 3.00 C ATOM 512 O TRP A 34 -6.676 23.088 -7.159 1.00 55.42 O ATOM 513 CB TRP A 34 -5.173 20.805 -5.250 1.00 15.34 C ATOM 514 CG TRP A 34 -5.309 20.041 -3.932 1.00 2.45 C ATOM 515 CD1 TRP A 34 -5.397 18.716 -3.751 1.00 15.11 C ATOM 516 CD2 TRP A 34 -5.366 20.615 -2.609 1.00 44.13 C ATOM 517 NE1 TRP A 34 -5.509 18.395 -2.414 1.00 4.34 N ATOM 518 CE2 TRP A 34 -5.489 19.585 -1.698 1.00 20.42 C ATOM 519 CE3 TRP A 34 -5.317 21.957 -2.196 1.00 30.12 C ATOM 520 CZ2 TRP A 34 -5.572 19.792 -0.315 1.00 40.25 C ATOM 521 CZ3 TRP A 34 -5.402 22.146 -0.812 1.00 20.41 C ATOM 522 CH2 TRP A 34 -5.526 21.122 0.120 1.00 12.02 C ATOM 0 H TRP A 34 -6.397 18.925 -6.322 1.00 71.20 H new ATOM 0 HA TRP A 34 -7.167 21.469 -5.285 1.00 34.04 H new ATOM 0 HB2 TRP A 34 -4.474 20.274 -5.896 1.00 15.34 H new ATOM 0 HB3 TRP A 34 -4.739 21.784 -5.047 1.00 15.34 H new ATOM 0 HD1 TRP A 34 -5.382 17.991 -4.551 1.00 15.11 H new ATOM 0 HE1 TRP A 34 -5.591 17.456 -2.023 1.00 4.34 H new ATOM 0 HE3 TRP A 34 -5.221 22.778 -2.891 1.00 30.12 H new ATOM 0 HZ2 TRP A 34 -5.666 18.970 0.379 1.00 40.25 H new ATOM 0 HZ3 TRP A 34 -5.369 23.160 -0.441 1.00 20.41 H new ATOM 0 HH2 TRP A 34 -5.587 21.351 1.174 1.00 12.02 H new ATOM 533 N ASN A 35 -5.898 21.306 -8.314 1.00 31.14 N ATOM 534 CA ASN A 35 -5.721 22.045 -9.552 1.00 74.13 C ATOM 535 C ASN A 35 -6.925 21.800 -10.465 1.00 43.13 C ATOM 536 O ASN A 35 -7.893 22.558 -10.439 1.00 41.42 O ATOM 537 CB ASN A 35 -4.464 21.586 -10.294 1.00 60.54 C ATOM 538 CG ASN A 35 -3.434 21.011 -9.321 1.00 43.43 C ATOM 539 OD1 ASN A 35 -3.074 21.617 -8.326 1.00 74.45 O ATOM 540 ND2 ASN A 35 -2.979 19.808 -9.662 1.00 14.34 N ATOM 0 H ASN A 35 -5.639 20.321 -8.364 1.00 31.14 H new ATOM 0 HA ASN A 35 -5.626 23.102 -9.302 1.00 74.13 H new ATOM 0 HB2 ASN A 35 -4.730 20.833 -11.036 1.00 60.54 H new ATOM 0 HB3 ASN A 35 -4.029 22.426 -10.835 1.00 60.54 H new ATOM 0 HD21 ASN A 35 -2.288 19.339 -9.076 1.00 14.34 H new ATOM 0 HD22 ASN A 35 -3.322 19.354 -10.509 1.00 14.34 H new TER 547 ASN A 35