USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 285 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.5) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0788 (180deg=-0.575) USER MOD Single : A 1 MET N :NH3+ -99:sc= 0.0375 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -160:sc=-0.00701 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.543 K(o=-0.54,f=-1.8) USER MOD Single : A 26 MET CE :methyl 163:sc= -0.117 (180deg=-0.575) USER MOD Single : A 32 ASN : amide:sc= -2.51! K(o=-2.5!,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0207 (180deg=-0.254) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.796 -0.631 3.032 1.00 0.00 N ATOM 2 CA MET A 1 26.337 -0.774 2.794 1.00 0.00 C ATOM 3 C MET A 1 26.035 -0.845 1.302 1.00 0.00 C ATOM 4 O MET A 1 26.765 -0.287 0.483 1.00 0.00 O ATOM 5 CB MET A 1 25.584 0.402 3.421 1.00 0.00 C ATOM 6 CG MET A 1 24.072 0.303 3.288 1.00 0.00 C ATOM 7 SD MET A 1 23.217 1.703 4.037 1.00 0.00 S ATOM 8 CE MET A 1 23.651 1.482 5.761 1.00 0.00 C ATOM 0 H1 MET A 1 28.202 -1.559 3.267 1.00 0.00 H new ATOM 0 H2 MET A 1 28.253 -0.260 2.175 1.00 0.00 H new ATOM 0 H3 MET A 1 27.956 0.026 3.822 1.00 0.00 H new ATOM 0 HA MET A 1 26.005 -1.703 3.259 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.843 0.465 4.478 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.921 1.328 2.954 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.807 0.243 2.232 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.729 -0.620 3.756 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.942 2.024 6.387 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.619 0.422 6.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.656 1.866 5.935 1.00 0.00 H new ATOM 20 N THR A 2 24.955 -1.537 0.957 1.00 0.00 N ATOM 21 CA THR A 2 24.554 -1.684 -0.436 1.00 0.00 C ATOM 22 C THR A 2 23.224 -0.991 -0.701 1.00 0.00 C ATOM 23 O THR A 2 22.227 -1.254 -0.027 1.00 0.00 O ATOM 24 CB THR A 2 24.439 -3.167 -0.835 1.00 0.00 C ATOM 25 OG1 THR A 2 24.505 -3.996 0.332 1.00 0.00 O ATOM 26 CG2 THR A 2 25.547 -3.556 -1.803 1.00 0.00 C ATOM 0 H THR A 2 24.341 -2.005 1.624 1.00 0.00 H new ATOM 0 HA THR A 2 25.331 -1.214 -1.040 1.00 0.00 H new ATOM 0 HB THR A 2 23.479 -3.313 -1.330 1.00 0.00 H new ATOM 0 HG1 THR A 2 24.749 -4.909 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 2 25.444 -4.608 -2.070 1.00 0.00 H new ATOM 0 HG22 THR A 2 25.475 -2.945 -2.703 1.00 0.00 H new ATOM 0 HG23 THR A 2 26.516 -3.395 -1.331 1.00 0.00 H new ATOM 34 N PHE A 3 23.220 -0.103 -1.689 1.00 0.00 N ATOM 35 CA PHE A 3 22.018 0.635 -2.053 1.00 0.00 C ATOM 36 C PHE A 3 20.934 -0.310 -2.559 1.00 0.00 C ATOM 37 O PHE A 3 19.744 -0.069 -2.359 1.00 0.00 O ATOM 38 CB PHE A 3 22.342 1.680 -3.119 1.00 0.00 C ATOM 39 CG PHE A 3 21.414 2.857 -3.091 1.00 0.00 C ATOM 40 CD1 PHE A 3 21.438 3.741 -2.026 1.00 0.00 C ATOM 41 CD2 PHE A 3 20.517 3.078 -4.123 1.00 0.00 C ATOM 42 CE1 PHE A 3 20.586 4.825 -1.989 1.00 0.00 C ATOM 43 CE2 PHE A 3 19.660 4.162 -4.093 1.00 0.00 C ATOM 44 CZ PHE A 3 19.695 5.037 -3.024 1.00 0.00 C ATOM 0 H PHE A 3 24.039 0.123 -2.253 1.00 0.00 H new ATOM 0 HA PHE A 3 21.645 1.140 -1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 3 23.365 2.028 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 3 22.297 1.213 -4.103 1.00 0.00 H new ATOM 0 HD1 PHE A 3 22.132 3.580 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 3 20.487 2.396 -4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 3 20.615 5.507 -1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.965 4.325 -4.903 1.00 0.00 H new ATOM 0 HZ PHE A 3 19.027 5.885 -2.997 1.00 0.00 H new ATOM 54 N ALA A 4 21.355 -1.383 -3.222 1.00 0.00 N ATOM 55 CA ALA A 4 20.420 -2.367 -3.753 1.00 0.00 C ATOM 56 C ALA A 4 19.751 -3.144 -2.626 1.00 0.00 C ATOM 57 O ALA A 4 18.549 -3.406 -2.668 1.00 0.00 O ATOM 58 CB ALA A 4 21.132 -3.317 -4.705 1.00 0.00 C ATOM 0 H ALA A 4 22.337 -1.592 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 4 19.645 -1.836 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.420 -4.045 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.558 -2.751 -5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.929 -3.836 -4.172 1.00 0.00 H new ATOM 64 N GLU A 5 20.538 -3.508 -1.616 1.00 0.00 N ATOM 65 CA GLU A 5 20.017 -4.251 -0.475 1.00 0.00 C ATOM 66 C GLU A 5 19.072 -3.380 0.344 1.00 0.00 C ATOM 67 O GLU A 5 18.067 -3.861 0.869 1.00 0.00 O ATOM 68 CB GLU A 5 21.163 -4.756 0.405 1.00 0.00 C ATOM 69 CG GLU A 5 22.067 -5.762 -0.291 1.00 0.00 C ATOM 70 CD GLU A 5 21.314 -6.988 -0.770 1.00 0.00 C ATOM 71 OE1 GLU A 5 20.878 -6.997 -1.940 1.00 0.00 O ATOM 72 OE2 GLU A 5 21.161 -7.940 0.025 1.00 0.00 O ATOM 0 H GLU A 5 21.535 -3.301 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 5 19.461 -5.110 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 5 21.762 -3.906 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.747 -5.214 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 5 22.551 -5.282 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 5 22.857 -6.070 0.394 1.00 0.00 H new ATOM 79 N LEU A 6 19.403 -2.096 0.451 1.00 0.00 N ATOM 80 CA LEU A 6 18.576 -1.156 1.196 1.00 0.00 C ATOM 81 C LEU A 6 17.453 -0.634 0.312 1.00 0.00 C ATOM 82 O LEU A 6 16.497 -0.033 0.794 1.00 0.00 O ATOM 83 CB LEU A 6 19.421 0.014 1.708 1.00 0.00 C ATOM 84 CG LEU A 6 18.769 0.856 2.809 1.00 0.00 C ATOM 85 CD1 LEU A 6 19.793 1.246 3.863 1.00 0.00 C ATOM 86 CD2 LEU A 6 18.123 2.099 2.218 1.00 0.00 C ATOM 0 H LEU A 6 20.237 -1.685 0.031 1.00 0.00 H new ATOM 0 HA LEU A 6 18.146 -1.677 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 6 20.366 -0.378 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 6 19.658 0.665 0.867 1.00 0.00 H new ATOM 0 HG LEU A 6 17.995 0.254 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 6 19.310 1.844 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 6 20.215 0.346 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 6 20.589 1.828 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.665 2.685 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.882 2.700 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.359 1.805 1.499 1.00 0.00 H new ATOM 98 N GLY A 7 17.574 -0.884 -0.988 1.00 0.00 N ATOM 99 CA GLY A 7 16.568 -0.432 -1.928 1.00 0.00 C ATOM 100 C GLY A 7 15.263 -1.185 -1.790 1.00 0.00 C ATOM 101 O GLY A 7 14.198 -0.578 -1.715 1.00 0.00 O ATOM 0 H GLY A 7 18.353 -1.393 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.387 0.632 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.946 -0.550 -2.944 1.00 0.00 H new ATOM 105 N MET A 8 15.343 -2.509 -1.754 1.00 0.00 N ATOM 106 CA MET A 8 14.152 -3.340 -1.628 1.00 0.00 C ATOM 107 C MET A 8 13.494 -3.154 -0.266 1.00 0.00 C ATOM 108 O MET A 8 12.274 -3.051 -0.169 1.00 0.00 O ATOM 109 CB MET A 8 14.506 -4.813 -1.840 1.00 0.00 C ATOM 110 CG MET A 8 14.945 -5.133 -3.259 1.00 0.00 C ATOM 111 SD MET A 8 13.666 -4.775 -4.478 1.00 0.00 S ATOM 112 CE MET A 8 14.531 -5.160 -5.997 1.00 0.00 C ATOM 0 H MET A 8 16.218 -3.030 -1.810 1.00 0.00 H new ATOM 0 HA MET A 8 13.444 -3.029 -2.396 1.00 0.00 H new ATOM 0 HB2 MET A 8 15.303 -5.090 -1.150 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.641 -5.426 -1.589 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.840 -4.558 -3.497 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.217 -6.187 -3.322 1.00 0.00 H new ATOM 0 HE1 MET A 8 13.869 -4.988 -6.846 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.410 -4.522 -6.087 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.841 -6.205 -5.984 1.00 0.00 H new ATOM 122 N ALA A 9 14.307 -3.109 0.783 1.00 0.00 N ATOM 123 CA ALA A 9 13.794 -2.937 2.137 1.00 0.00 C ATOM 124 C ALA A 9 13.138 -1.570 2.310 1.00 0.00 C ATOM 125 O ALA A 9 12.061 -1.458 2.895 1.00 0.00 O ATOM 126 CB ALA A 9 14.912 -3.124 3.152 1.00 0.00 C ATOM 0 H ALA A 9 15.322 -3.189 0.722 1.00 0.00 H new ATOM 0 HA ALA A 9 13.032 -3.697 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.515 -2.993 4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.329 -4.126 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.694 -2.387 2.972 1.00 0.00 H new ATOM 132 N PHE A 10 13.795 -0.534 1.799 1.00 0.00 N ATOM 133 CA PHE A 10 13.279 0.828 1.895 1.00 0.00 C ATOM 134 C PHE A 10 12.037 1.008 1.024 1.00 0.00 C ATOM 135 O PHE A 10 11.066 1.639 1.441 1.00 0.00 O ATOM 136 CB PHE A 10 14.368 1.830 1.497 1.00 0.00 C ATOM 137 CG PHE A 10 13.865 3.217 1.214 1.00 0.00 C ATOM 138 CD1 PHE A 10 13.054 3.882 2.121 1.00 0.00 C ATOM 139 CD2 PHE A 10 14.210 3.855 0.035 1.00 0.00 C ATOM 140 CE1 PHE A 10 12.596 5.158 1.854 1.00 0.00 C ATOM 141 CE2 PHE A 10 13.756 5.130 -0.238 1.00 0.00 C ATOM 142 CZ PHE A 10 12.947 5.783 0.672 1.00 0.00 C ATOM 0 H PHE A 10 14.688 -0.611 1.313 1.00 0.00 H new ATOM 0 HA PHE A 10 12.989 1.014 2.929 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.107 1.881 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.882 1.456 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.777 3.398 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.842 3.349 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.965 5.666 2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.033 5.616 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.590 6.780 0.460 1.00 0.00 H new ATOM 152 N TRP A 11 12.073 0.454 -0.184 1.00 0.00 N ATOM 153 CA TRP A 11 10.945 0.558 -1.102 1.00 0.00 C ATOM 154 C TRP A 11 9.733 -0.191 -0.562 1.00 0.00 C ATOM 155 O TRP A 11 8.605 0.288 -0.657 1.00 0.00 O ATOM 156 CB TRP A 11 11.323 0.023 -2.484 1.00 0.00 C ATOM 157 CG TRP A 11 11.840 1.085 -3.407 1.00 0.00 C ATOM 158 CD1 TRP A 11 13.120 1.232 -3.861 1.00 0.00 C ATOM 159 CD2 TRP A 11 11.084 2.154 -3.985 1.00 0.00 C ATOM 160 NE1 TRP A 11 13.204 2.325 -4.689 1.00 0.00 N ATOM 161 CE2 TRP A 11 11.967 2.907 -4.781 1.00 0.00 C ATOM 162 CE3 TRP A 11 9.745 2.544 -3.908 1.00 0.00 C ATOM 163 CZ2 TRP A 11 11.551 4.029 -5.495 1.00 0.00 C ATOM 164 CZ3 TRP A 11 9.333 3.657 -4.616 1.00 0.00 C ATOM 165 CH2 TRP A 11 10.234 4.388 -5.401 1.00 0.00 C ATOM 0 H TRP A 11 12.869 -0.070 -0.549 1.00 0.00 H new ATOM 0 HA TRP A 11 10.685 1.612 -1.195 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.081 -0.752 -2.372 1.00 0.00 H new ATOM 0 HB3 TRP A 11 10.450 -0.448 -2.935 1.00 0.00 H new ATOM 0 HD1 TRP A 11 13.945 0.584 -3.606 1.00 0.00 H new ATOM 0 HE1 TRP A 11 14.049 2.650 -5.159 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.044 1.985 -3.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 12.243 4.595 -6.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.300 3.968 -4.563 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.882 5.253 -5.943 1.00 0.00 H new ATOM 176 N HIS A 12 9.972 -1.370 0.000 1.00 0.00 N ATOM 177 CA HIS A 12 8.899 -2.178 0.564 1.00 0.00 C ATOM 178 C HIS A 12 8.315 -1.511 1.803 1.00 0.00 C ATOM 179 O HIS A 12 7.102 -1.522 2.014 1.00 0.00 O ATOM 180 CB HIS A 12 9.410 -3.576 0.914 1.00 0.00 C ATOM 181 CG HIS A 12 9.619 -4.450 -0.282 1.00 0.00 C ATOM 182 ND1 HIS A 12 10.056 -3.988 -1.503 1.00 0.00 N ATOM 183 CD2 HIS A 12 9.439 -5.787 -0.430 1.00 0.00 C ATOM 184 CE1 HIS A 12 10.126 -5.034 -2.337 1.00 0.00 C ATOM 185 NE2 HIS A 12 9.762 -6.150 -1.735 1.00 0.00 N ATOM 0 H HIS A 12 10.900 -1.787 0.077 1.00 0.00 H new ATOM 0 HA HIS A 12 8.113 -2.267 -0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.351 -3.485 1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 12 8.699 -4.057 1.586 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.099 -6.462 0.342 1.00 0.00 H new ATOM 0 HE1 HIS A 12 10.440 -4.972 -3.369 1.00 0.00 H new ATOM 0 HE2 HIS A 12 9.725 -7.085 -2.141 1.00 0.00 H new ATOM 193 N ASP A 13 9.189 -0.930 2.620 1.00 0.00 N ATOM 194 CA ASP A 13 8.764 -0.262 3.842 1.00 0.00 C ATOM 195 C ASP A 13 7.941 0.984 3.527 1.00 0.00 C ATOM 196 O ASP A 13 6.924 1.238 4.168 1.00 0.00 O ATOM 197 CB ASP A 13 9.979 0.115 4.690 1.00 0.00 C ATOM 198 CG ASP A 13 9.589 0.798 5.986 1.00 0.00 C ATOM 199 OD1 ASP A 13 9.530 2.046 6.005 1.00 0.00 O ATOM 200 OD2 ASP A 13 9.341 0.086 6.981 1.00 0.00 O ATOM 0 H ASP A 13 10.196 -0.909 2.456 1.00 0.00 H new ATOM 0 HA ASP A 13 8.137 -0.954 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.555 -0.783 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.629 0.775 4.116 1.00 0.00 H new ATOM 205 N LEU A 14 8.387 1.761 2.541 1.00 0.00 N ATOM 206 CA LEU A 14 7.672 2.971 2.149 1.00 0.00 C ATOM 207 C LEU A 14 6.399 2.618 1.394 1.00 0.00 C ATOM 208 O LEU A 14 5.412 3.346 1.453 1.00 0.00 O ATOM 209 CB LEU A 14 8.564 3.897 1.311 1.00 0.00 C ATOM 210 CG LEU A 14 8.797 3.479 -0.141 1.00 0.00 C ATOM 211 CD1 LEU A 14 7.683 4.007 -1.031 1.00 0.00 C ATOM 212 CD2 LEU A 14 10.150 3.986 -0.622 1.00 0.00 C ATOM 0 H LEU A 14 9.234 1.575 2.004 1.00 0.00 H new ATOM 0 HA LEU A 14 7.397 3.508 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.122 4.893 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.533 3.977 1.804 1.00 0.00 H new ATOM 0 HG LEU A 14 8.793 2.390 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.864 3.701 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.727 3.604 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.658 5.095 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.305 3.682 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.176 5.074 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.939 3.565 0.002 1.00 0.00 H new ATOM 224 N ALA A 15 6.434 1.496 0.685 1.00 0.00 N ATOM 225 CA ALA A 15 5.285 1.039 -0.086 1.00 0.00 C ATOM 226 C ALA A 15 4.153 0.573 0.822 1.00 0.00 C ATOM 227 O ALA A 15 2.982 0.739 0.494 1.00 0.00 O ATOM 228 CB ALA A 15 5.690 -0.078 -1.036 1.00 0.00 C ATOM 0 H ALA A 15 7.248 0.885 0.628 1.00 0.00 H new ATOM 0 HA ALA A 15 4.922 1.885 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.819 -0.407 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.454 0.287 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.088 -0.916 -0.464 1.00 0.00 H new ATOM 234 N ALA A 16 4.510 -0.021 1.958 1.00 0.00 N ATOM 235 CA ALA A 16 3.519 -0.524 2.906 1.00 0.00 C ATOM 236 C ALA A 16 2.415 0.508 3.179 1.00 0.00 C ATOM 237 O ALA A 16 1.235 0.211 2.988 1.00 0.00 O ATOM 238 CB ALA A 16 4.194 -0.965 4.200 1.00 0.00 C ATOM 0 H ALA A 16 5.478 -0.166 2.245 1.00 0.00 H new ATOM 0 HA ALA A 16 3.039 -1.392 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.441 -1.337 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.911 -1.757 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.713 -0.117 4.647 1.00 0.00 H new ATOM 244 N PRO A 17 2.769 1.736 3.624 1.00 0.00 N ATOM 245 CA PRO A 17 1.777 2.784 3.900 1.00 0.00 C ATOM 246 C PRO A 17 1.161 3.353 2.626 1.00 0.00 C ATOM 247 O PRO A 17 0.049 3.882 2.645 1.00 0.00 O ATOM 248 CB PRO A 17 2.591 3.859 4.621 1.00 0.00 C ATOM 249 CG PRO A 17 3.985 3.670 4.143 1.00 0.00 C ATOM 250 CD PRO A 17 4.145 2.196 3.906 1.00 0.00 C ATOM 0 HA PRO A 17 0.935 2.404 4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.224 4.858 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.526 3.744 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.163 4.234 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.703 4.027 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.814 1.995 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.565 1.693 4.777 1.00 0.00 H new ATOM 258 N VAL A 18 1.890 3.242 1.519 1.00 0.00 N ATOM 259 CA VAL A 18 1.415 3.745 0.234 1.00 0.00 C ATOM 260 C VAL A 18 0.254 2.900 -0.282 1.00 0.00 C ATOM 261 O VAL A 18 -0.781 3.426 -0.690 1.00 0.00 O ATOM 262 CB VAL A 18 2.549 3.752 -0.815 1.00 0.00 C ATOM 263 CG1 VAL A 18 2.016 4.138 -2.186 1.00 0.00 C ATOM 264 CG2 VAL A 18 3.665 4.695 -0.389 1.00 0.00 C ATOM 0 H VAL A 18 2.812 2.808 1.486 1.00 0.00 H new ATOM 0 HA VAL A 18 1.073 4.768 0.390 1.00 0.00 H new ATOM 0 HB VAL A 18 2.957 2.743 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.833 4.136 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.256 3.421 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.577 5.134 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.455 4.687 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.269 5.706 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.071 4.369 0.568 1.00 0.00 H new ATOM 274 N ILE A 19 0.444 1.587 -0.259 1.00 0.00 N ATOM 275 CA ILE A 19 -0.570 0.648 -0.716 1.00 0.00 C ATOM 276 C ILE A 19 -1.752 0.600 0.247 1.00 0.00 C ATOM 277 O ILE A 19 -2.902 0.488 -0.174 1.00 0.00 O ATOM 278 CB ILE A 19 0.020 -0.767 -0.861 1.00 0.00 C ATOM 279 CG1 ILE A 19 1.267 -0.729 -1.747 1.00 0.00 C ATOM 280 CG2 ILE A 19 -1.018 -1.720 -1.435 1.00 0.00 C ATOM 281 CD1 ILE A 19 2.184 -1.917 -1.553 1.00 0.00 C ATOM 0 H ILE A 19 1.301 1.146 0.075 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.918 0.997 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 19 0.307 -1.130 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.959 -0.685 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.822 0.186 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.584 -2.715 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.880 -1.762 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.334 -1.366 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.046 -1.823 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.522 -1.951 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.645 -2.835 -1.789 1.00 0.00 H new ATOM 293 N ALA A 20 -1.457 0.682 1.541 1.00 0.00 N ATOM 294 CA ALA A 20 -2.491 0.641 2.570 1.00 0.00 C ATOM 295 C ALA A 20 -3.459 1.812 2.437 1.00 0.00 C ATOM 296 O ALA A 20 -4.670 1.645 2.586 1.00 0.00 O ATOM 297 CB ALA A 20 -1.857 0.634 3.953 1.00 0.00 C ATOM 0 H ALA A 20 -0.508 0.777 1.903 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.061 -0.278 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.639 0.603 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.217 -0.243 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.260 1.536 4.084 1.00 0.00 H new ATOM 303 N GLY A 21 -2.922 2.997 2.161 1.00 0.00 N ATOM 304 CA GLY A 21 -3.761 4.174 2.017 1.00 0.00 C ATOM 305 C GLY A 21 -4.712 4.063 0.842 1.00 0.00 C ATOM 306 O GLY A 21 -5.899 4.366 0.963 1.00 0.00 O ATOM 0 H GLY A 21 -1.924 3.163 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.334 4.323 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.130 5.054 1.889 1.00 0.00 H new ATOM 310 N ILE A 22 -4.188 3.625 -0.298 1.00 0.00 N ATOM 311 CA ILE A 22 -4.997 3.465 -1.500 1.00 0.00 C ATOM 312 C ILE A 22 -5.992 2.321 -1.336 1.00 0.00 C ATOM 313 O ILE A 22 -7.123 2.392 -1.816 1.00 0.00 O ATOM 314 CB ILE A 22 -4.118 3.192 -2.737 1.00 0.00 C ATOM 315 CG1 ILE A 22 -3.076 4.301 -2.905 1.00 0.00 C ATOM 316 CG2 ILE A 22 -4.981 3.074 -3.986 1.00 0.00 C ATOM 317 CD1 ILE A 22 -2.016 3.988 -3.940 1.00 0.00 C ATOM 0 H ILE A 22 -3.206 3.374 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.537 4.400 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.595 2.247 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.583 5.224 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.592 4.481 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.346 2.881 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.687 2.252 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.529 4.004 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.313 4.819 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.482 3.082 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.489 3.837 -4.911 1.00 0.00 H new ATOM 329 N LEU A 23 -5.557 1.269 -0.649 1.00 0.00 N ATOM 330 CA LEU A 23 -6.395 0.098 -0.418 1.00 0.00 C ATOM 331 C LEU A 23 -7.584 0.442 0.472 1.00 0.00 C ATOM 332 O LEU A 23 -8.675 -0.101 0.300 1.00 0.00 O ATOM 333 CB LEU A 23 -5.568 -1.024 0.215 1.00 0.00 C ATOM 334 CG LEU A 23 -6.352 -2.284 0.584 1.00 0.00 C ATOM 335 CD1 LEU A 23 -6.949 -2.929 -0.659 1.00 0.00 C ATOM 336 CD2 LEU A 23 -5.458 -3.269 1.319 1.00 0.00 C ATOM 0 H LEU A 23 -4.624 1.204 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.779 -0.241 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.772 -1.301 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.089 -0.637 1.115 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.169 -1.998 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.503 -3.824 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.623 -2.225 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.149 -3.201 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.031 -4.160 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.620 -3.547 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.080 -2.807 2.231 1.00 0.00 H new ATOM 348 N ALA A 24 -7.366 1.343 1.424 1.00 0.00 N ATOM 349 CA ALA A 24 -8.423 1.760 2.337 1.00 0.00 C ATOM 350 C ALA A 24 -9.595 2.359 1.569 1.00 0.00 C ATOM 351 O ALA A 24 -10.752 2.029 1.826 1.00 0.00 O ATOM 352 CB ALA A 24 -7.884 2.758 3.349 1.00 0.00 C ATOM 0 H ALA A 24 -6.467 1.798 1.583 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.781 0.880 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.685 3.060 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.081 2.296 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.500 3.634 2.827 1.00 0.00 H new ATOM 358 N SER A 25 -9.283 3.238 0.623 1.00 0.00 N ATOM 359 CA SER A 25 -10.307 3.882 -0.192 1.00 0.00 C ATOM 360 C SER A 25 -11.094 2.842 -0.980 1.00 0.00 C ATOM 361 O SER A 25 -12.285 3.012 -1.236 1.00 0.00 O ATOM 362 CB SER A 25 -9.667 4.890 -1.148 1.00 0.00 C ATOM 363 OG SER A 25 -10.647 5.523 -1.953 1.00 0.00 O ATOM 0 H SER A 25 -8.328 3.521 0.401 1.00 0.00 H new ATOM 0 HA SER A 25 -10.993 4.410 0.470 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.120 5.641 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.942 4.383 -1.784 1.00 0.00 H new ATOM 0 HG SER A 25 -10.213 6.163 -2.554 1.00 0.00 H new ATOM 369 N MET A 26 -10.416 1.763 -1.358 1.00 0.00 N ATOM 370 CA MET A 26 -11.046 0.687 -2.113 1.00 0.00 C ATOM 371 C MET A 26 -12.054 -0.059 -1.246 1.00 0.00 C ATOM 372 O MET A 26 -13.164 -0.359 -1.686 1.00 0.00 O ATOM 373 CB MET A 26 -9.985 -0.284 -2.634 1.00 0.00 C ATOM 374 CG MET A 26 -8.984 0.360 -3.578 1.00 0.00 C ATOM 375 SD MET A 26 -7.675 -0.773 -4.085 1.00 0.00 S ATOM 376 CE MET A 26 -8.626 -2.067 -4.877 1.00 0.00 C ATOM 0 H MET A 26 -9.428 1.611 -1.153 1.00 0.00 H new ATOM 0 HA MET A 26 -11.574 1.125 -2.960 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.449 -0.713 -1.787 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.479 -1.108 -3.149 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.507 0.723 -4.463 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.539 1.228 -3.092 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.967 -2.675 -5.497 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.091 -2.695 -4.116 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.400 -1.620 -5.501 1.00 0.00 H new ATOM 386 N ILE A 27 -11.658 -0.357 -0.011 1.00 0.00 N ATOM 387 CA ILE A 27 -12.528 -1.063 0.921 1.00 0.00 C ATOM 388 C ILE A 27 -13.773 -0.239 1.229 1.00 0.00 C ATOM 389 O ILE A 27 -14.884 -0.768 1.270 1.00 0.00 O ATOM 390 CB ILE A 27 -11.800 -1.394 2.241 1.00 0.00 C ATOM 391 CG1 ILE A 27 -10.561 -2.249 1.964 1.00 0.00 C ATOM 392 CG2 ILE A 27 -12.742 -2.110 3.200 1.00 0.00 C ATOM 393 CD1 ILE A 27 -9.718 -2.514 3.194 1.00 0.00 C ATOM 0 H ILE A 27 -10.740 -0.120 0.366 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.818 -1.997 0.440 1.00 0.00 H new ATOM 0 HB ILE A 27 -11.479 -0.462 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.875 -3.202 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.947 -1.751 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.215 -2.337 4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.597 -1.469 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.090 -3.037 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.858 -3.126 2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.373 -1.567 3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.316 -3.040 3.938 1.00 0.00 H new ATOM 405 N VAL A 28 -13.580 1.060 1.445 1.00 0.00 N ATOM 406 CA VAL A 28 -14.692 1.955 1.743 1.00 0.00 C ATOM 407 C VAL A 28 -15.641 2.055 0.554 1.00 0.00 C ATOM 408 O VAL A 28 -16.859 1.979 0.712 1.00 0.00 O ATOM 409 CB VAL A 28 -14.202 3.368 2.115 1.00 0.00 C ATOM 410 CG1 VAL A 28 -15.382 4.280 2.416 1.00 0.00 C ATOM 411 CG2 VAL A 28 -13.250 3.310 3.300 1.00 0.00 C ATOM 0 H VAL A 28 -12.667 1.514 1.419 1.00 0.00 H new ATOM 0 HA VAL A 28 -15.219 1.531 2.598 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.660 3.780 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.017 5.273 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.023 4.348 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.953 3.873 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.915 4.317 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.764 2.877 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.388 2.694 3.044 1.00 0.00 H new ATOM 421 N ASN A 29 -15.073 2.227 -0.637 1.00 0.00 N ATOM 422 CA ASN A 29 -15.869 2.333 -1.855 1.00 0.00 C ATOM 423 C ASN A 29 -16.719 1.084 -2.053 1.00 0.00 C ATOM 424 O ASN A 29 -17.879 1.166 -2.459 1.00 0.00 O ATOM 425 CB ASN A 29 -14.962 2.546 -3.069 1.00 0.00 C ATOM 426 CG ASN A 29 -14.350 3.934 -3.100 1.00 0.00 C ATOM 427 OD1 ASN A 29 -14.941 4.896 -2.610 1.00 0.00 O ATOM 428 ND2 ASN A 29 -13.160 4.045 -3.680 1.00 0.00 N ATOM 0 H ASN A 29 -14.066 2.296 -0.784 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.532 3.193 -1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.166 1.801 -3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.537 2.385 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.701 4.954 -3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.706 3.221 -4.073 1.00 0.00 H new ATOM 435 N TRP A 30 -16.132 -0.072 -1.763 1.00 0.00 N ATOM 436 CA TRP A 30 -16.829 -1.345 -1.899 1.00 0.00 C ATOM 437 C TRP A 30 -17.994 -1.425 -0.917 1.00 0.00 C ATOM 438 O TRP A 30 -19.107 -1.799 -1.286 1.00 0.00 O ATOM 439 CB TRP A 30 -15.854 -2.504 -1.666 1.00 0.00 C ATOM 440 CG TRP A 30 -16.517 -3.780 -1.240 1.00 0.00 C ATOM 441 CD1 TRP A 30 -17.411 -4.522 -1.958 1.00 0.00 C ATOM 442 CD2 TRP A 30 -16.337 -4.462 0.005 1.00 0.00 C ATOM 443 NE1 TRP A 30 -17.798 -5.623 -1.233 1.00 0.00 N ATOM 444 CE2 TRP A 30 -17.152 -5.609 -0.025 1.00 0.00 C ATOM 445 CE3 TRP A 30 -15.564 -4.214 1.142 1.00 0.00 C ATOM 446 CZ2 TRP A 30 -17.215 -6.505 1.039 1.00 0.00 C ATOM 447 CZ3 TRP A 30 -15.628 -5.103 2.198 1.00 0.00 C ATOM 448 CH2 TRP A 30 -16.448 -6.237 2.140 1.00 0.00 C ATOM 0 H TRP A 30 -15.171 -0.153 -1.431 1.00 0.00 H new ATOM 0 HA TRP A 30 -17.228 -1.418 -2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -15.295 -2.686 -2.584 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.131 -2.210 -0.905 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -17.762 -4.279 -2.950 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -18.459 -6.335 -1.544 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -14.928 -3.343 1.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -17.847 -7.380 0.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -15.036 -4.920 3.083 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -16.475 -6.914 2.981 1.00 0.00 H new ATOM 459 N LEU A 31 -17.725 -1.074 0.334 1.00 0.00 N ATOM 460 CA LEU A 31 -18.745 -1.104 1.373 1.00 0.00 C ATOM 461 C LEU A 31 -19.870 -0.123 1.065 1.00 0.00 C ATOM 462 O LEU A 31 -21.014 -0.329 1.470 1.00 0.00 O ATOM 463 CB LEU A 31 -18.123 -0.779 2.728 1.00 0.00 C ATOM 464 CG LEU A 31 -17.340 -1.926 3.362 1.00 0.00 C ATOM 465 CD1 LEU A 31 -16.380 -1.393 4.408 1.00 0.00 C ATOM 466 CD2 LEU A 31 -18.290 -2.942 3.977 1.00 0.00 C ATOM 0 H LEU A 31 -16.807 -0.765 0.654 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.168 -2.108 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.458 0.076 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -18.915 -0.476 3.413 1.00 0.00 H new ATOM 0 HG LEU A 31 -16.762 -2.424 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.828 -2.222 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.680 -0.700 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -16.940 -0.873 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.715 -3.753 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -18.893 -2.458 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.943 -3.344 3.203 1.00 0.00 H new ATOM 478 N ASN A 32 -19.536 0.945 0.347 1.00 0.00 N ATOM 479 CA ASN A 32 -20.519 1.960 -0.015 1.00 0.00 C ATOM 480 C ASN A 32 -21.505 1.423 -1.047 1.00 0.00 C ATOM 481 O ASN A 32 -22.615 1.936 -1.184 1.00 0.00 O ATOM 482 CB ASN A 32 -19.822 3.209 -0.559 1.00 0.00 C ATOM 483 CG ASN A 32 -18.997 3.917 0.499 1.00 0.00 C ATOM 484 OD1 ASN A 32 -19.316 3.867 1.687 1.00 0.00 O ATOM 485 ND2 ASN A 32 -17.932 4.584 0.071 1.00 0.00 N ATOM 0 H ASN A 32 -18.593 1.130 0.005 1.00 0.00 H new ATOM 0 HA ASN A 32 -21.073 2.226 0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -19.177 2.928 -1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -20.570 3.897 -0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.341 5.082 0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.705 4.599 -0.923 1.00 0.00 H new ATOM 492 N LYS A 33 -21.092 0.389 -1.773 1.00 0.00 N ATOM 493 CA LYS A 33 -21.939 -0.219 -2.790 1.00 0.00 C ATOM 494 C LYS A 33 -22.863 -1.271 -2.186 1.00 0.00 C ATOM 495 O LYS A 33 -24.066 -1.280 -2.451 1.00 0.00 O ATOM 496 CB LYS A 33 -21.082 -0.854 -3.881 1.00 0.00 C ATOM 497 CG LYS A 33 -21.865 -1.768 -4.805 1.00 0.00 C ATOM 498 CD LYS A 33 -20.962 -2.414 -5.832 1.00 0.00 C ATOM 499 CE LYS A 33 -21.671 -3.546 -6.556 1.00 0.00 C ATOM 500 NZ LYS A 33 -21.914 -4.711 -5.662 1.00 0.00 N ATOM 0 H LYS A 33 -20.174 -0.045 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.554 0.569 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -20.615 -0.066 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.277 -1.423 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -22.364 -2.540 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -22.644 -1.197 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -20.635 -1.666 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -20.067 -2.797 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -22.622 -3.186 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -21.072 -3.862 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -22.127 -5.551 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -21.066 -4.891 -5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -22.719 -4.506 -5.036 1.00 0.00 H new ATOM 514 N ARG A 34 -22.295 -2.156 -1.372 1.00 0.00 N ATOM 515 CA ARG A 34 -23.069 -3.221 -0.741 1.00 0.00 C ATOM 516 C ARG A 34 -23.911 -2.688 0.418 1.00 0.00 C ATOM 517 O ARG A 34 -24.268 -3.435 1.329 1.00 0.00 O ATOM 518 CB ARG A 34 -22.140 -4.330 -0.241 1.00 0.00 C ATOM 519 CG ARG A 34 -21.122 -3.863 0.788 1.00 0.00 C ATOM 520 CD ARG A 34 -20.485 -5.039 1.508 1.00 0.00 C ATOM 521 NE ARG A 34 -21.482 -5.861 2.190 1.00 0.00 N ATOM 522 CZ ARG A 34 -21.179 -6.850 3.026 1.00 0.00 C ATOM 523 NH1 ARG A 34 -19.912 -7.140 3.289 1.00 0.00 N ATOM 524 NH2 ARG A 34 -22.147 -7.550 3.602 1.00 0.00 N ATOM 0 H ARG A 34 -21.303 -2.157 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 34 -23.745 -3.629 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -22.743 -5.127 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -21.611 -4.759 -1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -20.349 -3.273 0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -21.608 -3.210 1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -19.938 -5.651 0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -19.759 -4.671 2.233 1.00 0.00 H new ATOM 0 HE ARG A 34 -22.468 -5.665 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.164 -6.603 2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.685 -7.900 3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -23.123 -7.330 3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.916 -8.309 4.243 1.00 0.00 H new ATOM 538 N LYS A 35 -24.230 -1.398 0.374 1.00 0.00 N ATOM 539 CA LYS A 35 -25.032 -0.768 1.417 1.00 0.00 C ATOM 540 C LYS A 35 -26.372 -1.481 1.587 1.00 0.00 C ATOM 541 O LYS A 35 -26.468 -2.349 2.479 1.00 0.00 O ATOM 542 CB LYS A 35 -25.255 0.710 1.087 1.00 0.00 C ATOM 543 CG LYS A 35 -25.677 0.955 -0.353 1.00 0.00 C ATOM 544 CD LYS A 35 -25.673 2.435 -0.693 1.00 0.00 C ATOM 545 CE LYS A 35 -26.081 2.673 -2.138 1.00 0.00 C ATOM 546 NZ LYS A 35 -26.040 4.117 -2.498 1.00 0.00 N ATOM 547 OXT LYS A 35 -27.313 -1.169 0.826 1.00 0.00 O ATOM 0 H LYS A 35 -23.944 -0.767 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 35 -24.488 -0.845 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -26.018 1.111 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -24.336 1.261 1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -25.003 0.425 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -26.675 0.547 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -26.356 2.964 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -24.678 2.847 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -25.417 2.116 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -27.088 2.288 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -26.325 4.235 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -26.692 4.646 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -25.074 4.479 -2.370 1.00 0.00 H new TER 561 LYS A 35