USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 581 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 Single : A 1 GLY N :NH3+ -123:sc= 0.0651 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 57:sc= 1.24 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.121 X(o=0.12,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.955 -2.216 14.509 1.00 62.14 N ATOM 2 CA GLY A 1 13.498 -2.746 15.746 1.00 41.04 C ATOM 3 C GLY A 1 13.323 -4.247 15.859 1.00 35.30 C ATOM 4 O GLY A 1 12.901 -4.918 14.916 1.00 2.14 O ATOM 0 H1 GLY A 1 13.701 -1.710 13.991 1.00 62.14 H new ATOM 0 H2 GLY A 1 12.597 -2.998 13.924 1.00 62.14 H new ATOM 0 H3 GLY A 1 12.177 -1.560 14.724 1.00 62.14 H new ATOM 0 HA2 GLY A 1 14.558 -2.501 15.808 1.00 41.04 H new ATOM 0 HA3 GLY A 1 13.009 -2.262 16.591 1.00 41.04 H new ATOM 8 N PRO A 2 13.651 -4.798 17.037 1.00 40.40 N ATOM 9 CA PRO A 2 13.536 -6.236 17.299 1.00 62.24 C ATOM 10 C PRO A 2 12.085 -6.697 17.377 1.00 43.11 C ATOM 11 O PRO A 2 11.445 -6.589 18.424 1.00 34.21 O ATOM 12 CB PRO A 2 14.227 -6.407 18.655 1.00 54.53 C ATOM 13 CG PRO A 2 14.102 -5.075 19.311 1.00 21.25 C ATOM 14 CD PRO A 2 14.160 -4.059 18.205 1.00 3.11 C ATOM 0 HA PRO A 2 13.980 -6.832 16.502 1.00 62.24 H new ATOM 0 HB2 PRO A 2 13.749 -7.187 19.248 1.00 54.53 H new ATOM 0 HB3 PRO A 2 15.272 -6.693 18.534 1.00 54.53 H new ATOM 0 HG2 PRO A 2 13.165 -4.998 19.862 1.00 21.25 H new ATOM 0 HG3 PRO A 2 14.907 -4.917 20.028 1.00 21.25 H new ATOM 0 HD2 PRO A 2 13.546 -3.187 18.428 1.00 3.11 H new ATOM 0 HD3 PRO A 2 15.176 -3.700 18.042 1.00 3.11 H new ATOM 22 N LEU A 3 11.571 -7.211 16.265 1.00 3.03 N ATOM 23 CA LEU A 3 10.194 -7.689 16.208 1.00 65.12 C ATOM 24 C LEU A 3 10.053 -8.820 15.195 1.00 31.34 C ATOM 25 O LEU A 3 9.951 -8.583 13.993 1.00 43.55 O ATOM 26 CB LEU A 3 9.250 -6.542 15.844 1.00 20.51 C ATOM 27 CG LEU A 3 8.511 -5.885 17.011 1.00 24.22 C ATOM 28 CD1 LEU A 3 8.957 -4.440 17.179 1.00 74.45 C ATOM 29 CD2 LEU A 3 7.007 -5.960 16.800 1.00 34.13 C ATOM 0 H LEU A 3 12.087 -7.307 15.391 1.00 3.03 H new ATOM 0 HA LEU A 3 9.927 -8.072 17.193 1.00 65.12 H new ATOM 0 HB2 LEU A 3 9.826 -5.775 15.326 1.00 20.51 H new ATOM 0 HB3 LEU A 3 8.510 -6.917 15.137 1.00 20.51 H new ATOM 0 HG LEU A 3 8.756 -6.428 17.924 1.00 24.22 H new ATOM 0 HD11 LEU A 3 8.421 -3.988 18.014 1.00 74.45 H new ATOM 0 HD12 LEU A 3 10.028 -4.411 17.377 1.00 74.45 H new ATOM 0 HD13 LEU A 3 8.742 -3.884 16.266 1.00 74.45 H new ATOM 0 HD21 LEU A 3 6.498 -5.488 17.640 1.00 34.13 H new ATOM 0 HD22 LEU A 3 6.743 -5.442 15.878 1.00 34.13 H new ATOM 0 HD23 LEU A 3 6.701 -7.004 16.731 1.00 34.13 H new ATOM 41 N GLY A 4 10.043 -10.055 15.691 1.00 45.32 N ATOM 42 CA GLY A 4 9.911 -11.205 14.816 1.00 25.12 C ATOM 43 C GLY A 4 8.464 -11.555 14.534 1.00 25.13 C ATOM 44 O GLY A 4 7.564 -10.758 14.794 1.00 53.22 O ATOM 0 H GLY A 4 10.124 -10.278 16.683 1.00 45.32 H new ATOM 0 HA2 GLY A 4 10.423 -11.002 13.875 1.00 25.12 H new ATOM 0 HA3 GLY A 4 10.407 -12.062 15.271 1.00 25.12 H new ATOM 48 N SER A 5 8.240 -12.753 14.002 1.00 52.52 N ATOM 49 CA SER A 5 6.892 -13.205 13.679 1.00 53.43 C ATOM 50 C SER A 5 6.908 -14.643 13.170 1.00 23.30 C ATOM 51 O SER A 5 7.937 -15.139 12.711 1.00 62.32 O ATOM 52 CB SER A 5 6.260 -12.288 12.630 1.00 72.32 C ATOM 53 OG SER A 5 4.850 -12.252 12.766 1.00 32.24 O ATOM 0 H SER A 5 8.974 -13.427 13.786 1.00 52.52 H new ATOM 0 HA SER A 5 6.296 -13.167 14.591 1.00 53.43 H new ATOM 0 HB2 SER A 5 6.664 -11.281 12.732 1.00 72.32 H new ATOM 0 HB3 SER A 5 6.523 -12.637 11.632 1.00 72.32 H new ATOM 0 HG SER A 5 4.471 -11.658 12.085 1.00 32.24 H new ATOM 59 N VAL A 6 5.760 -15.308 13.255 1.00 64.11 N ATOM 60 CA VAL A 6 5.642 -16.689 12.802 1.00 1.40 C ATOM 61 C VAL A 6 5.783 -16.785 11.287 1.00 45.31 C ATOM 62 O VAL A 6 6.032 -15.786 10.613 1.00 45.42 O ATOM 63 CB VAL A 6 4.292 -17.301 13.220 1.00 21.41 C ATOM 64 CG1 VAL A 6 4.182 -17.369 14.735 1.00 41.40 C ATOM 65 CG2 VAL A 6 3.139 -16.504 12.628 1.00 64.52 C ATOM 0 H VAL A 6 4.899 -14.913 13.633 1.00 64.11 H new ATOM 0 HA VAL A 6 6.450 -17.248 13.275 1.00 1.40 H new ATOM 0 HB VAL A 6 4.238 -18.318 12.830 1.00 21.41 H new ATOM 0 HG11 VAL A 6 3.221 -17.804 15.011 1.00 41.40 H new ATOM 0 HG12 VAL A 6 4.988 -17.987 15.131 1.00 41.40 H new ATOM 0 HG13 VAL A 6 4.258 -16.364 15.151 1.00 41.40 H new ATOM 0 HG21 VAL A 6 2.193 -16.951 12.934 1.00 64.52 H new ATOM 0 HG22 VAL A 6 3.187 -15.475 12.985 1.00 64.52 H new ATOM 0 HG23 VAL A 6 3.210 -16.514 11.540 1.00 64.52 H new ATOM 75 N ALA A 7 5.624 -17.993 10.759 1.00 24.02 N ATOM 76 CA ALA A 7 5.732 -18.219 9.323 1.00 23.42 C ATOM 77 C ALA A 7 4.356 -18.253 8.667 1.00 41.53 C ATOM 78 O ALA A 7 4.133 -18.982 7.701 1.00 62.11 O ATOM 79 CB ALA A 7 6.480 -19.516 9.048 1.00 41.00 C ATOM 0 H ALA A 7 5.420 -18.831 11.304 1.00 24.02 H new ATOM 0 HA ALA A 7 6.292 -17.389 8.891 1.00 23.42 H new ATOM 0 HB1 ALA A 7 6.553 -19.673 7.972 1.00 41.00 H new ATOM 0 HB2 ALA A 7 7.481 -19.456 9.475 1.00 41.00 H new ATOM 0 HB3 ALA A 7 5.942 -20.349 9.500 1.00 41.00 H new ATOM 85 N LYS A 8 3.433 -17.458 9.199 1.00 4.25 N ATOM 86 CA LYS A 8 2.078 -17.394 8.666 1.00 35.34 C ATOM 87 C LYS A 8 1.573 -15.956 8.633 1.00 52.50 C ATOM 88 O LYS A 8 2.070 -15.095 9.359 1.00 5.13 O ATOM 89 CB LYS A 8 1.135 -18.258 9.509 1.00 45.52 C ATOM 90 CG LYS A 8 0.611 -19.479 8.776 1.00 31.41 C ATOM 91 CD LYS A 8 -0.746 -19.213 8.145 1.00 65.34 C ATOM 92 CE LYS A 8 -1.553 -20.494 7.998 1.00 14.52 C ATOM 93 NZ LYS A 8 -3.001 -20.215 7.795 1.00 55.44 N ATOM 0 H LYS A 8 3.600 -16.849 10.000 1.00 4.25 H new ATOM 0 HA LYS A 8 2.098 -17.777 7.646 1.00 35.34 H new ATOM 0 HB2 LYS A 8 1.659 -18.582 10.408 1.00 45.52 H new ATOM 0 HB3 LYS A 8 0.291 -17.649 9.833 1.00 45.52 H new ATOM 0 HG2 LYS A 8 1.321 -19.773 8.003 1.00 31.41 H new ATOM 0 HG3 LYS A 8 0.532 -20.315 9.471 1.00 31.41 H new ATOM 0 HD2 LYS A 8 -1.300 -18.501 8.757 1.00 65.34 H new ATOM 0 HD3 LYS A 8 -0.609 -18.753 7.166 1.00 65.34 H new ATOM 0 HE2 LYS A 8 -1.172 -21.069 7.154 1.00 14.52 H new ATOM 0 HE3 LYS A 8 -1.423 -21.110 8.888 1.00 14.52 H new ATOM 0 HZ1 LYS A 8 -3.517 -21.113 7.699 1.00 55.44 H new ATOM 0 HZ2 LYS A 8 -3.371 -19.688 8.612 1.00 55.44 H new ATOM 0 HZ3 LYS A 8 -3.128 -19.649 6.932 1.00 55.44 H new ATOM 107 N LYS A 9 0.580 -15.700 7.786 1.00 23.31 N ATOM 108 CA LYS A 9 0.006 -14.367 7.659 1.00 4.32 C ATOM 109 C LYS A 9 1.045 -13.373 7.152 1.00 2.41 C ATOM 110 O LYS A 9 2.244 -13.656 7.159 1.00 3.32 O ATOM 111 CB LYS A 9 -0.549 -13.898 9.006 1.00 23.13 C ATOM 112 CG LYS A 9 -1.978 -13.389 8.931 1.00 31.32 C ATOM 113 CD LYS A 9 -2.733 -13.654 10.224 1.00 44.45 C ATOM 114 CE LYS A 9 -3.216 -15.094 10.301 1.00 41.23 C ATOM 115 NZ LYS A 9 -4.302 -15.260 11.307 1.00 71.13 N ATOM 0 H LYS A 9 0.157 -16.400 7.177 1.00 23.31 H new ATOM 0 HA LYS A 9 -0.807 -14.417 6.935 1.00 4.32 H new ATOM 0 HB2 LYS A 9 -0.503 -14.724 9.716 1.00 23.13 H new ATOM 0 HB3 LYS A 9 0.090 -13.106 9.397 1.00 23.13 H new ATOM 0 HG2 LYS A 9 -1.974 -12.319 8.724 1.00 31.32 H new ATOM 0 HG3 LYS A 9 -2.494 -13.872 8.101 1.00 31.32 H new ATOM 0 HD2 LYS A 9 -2.086 -13.440 11.075 1.00 44.45 H new ATOM 0 HD3 LYS A 9 -3.586 -12.979 10.294 1.00 44.45 H new ATOM 0 HE2 LYS A 9 -3.576 -15.409 9.322 1.00 41.23 H new ATOM 0 HE3 LYS A 9 -2.380 -15.745 10.558 1.00 41.23 H new ATOM 0 HZ1 LYS A 9 -4.605 -16.255 11.330 1.00 71.13 H new ATOM 0 HZ2 LYS A 9 -3.951 -14.983 12.246 1.00 71.13 H new ATOM 0 HZ3 LYS A 9 -5.110 -14.658 11.048 1.00 71.13 H new ATOM 129 N ILE A 10 0.579 -12.208 6.713 1.00 2.13 N ATOM 130 CA ILE A 10 1.469 -11.172 6.206 1.00 41.52 C ATOM 131 C ILE A 10 2.216 -10.483 7.343 1.00 53.44 C ATOM 132 O ILE A 10 1.616 -10.073 8.337 1.00 21.01 O ATOM 133 CB ILE A 10 0.697 -10.112 5.398 1.00 32.03 C ATOM 134 CG1 ILE A 10 -0.115 -10.779 4.285 1.00 42.20 C ATOM 135 CG2 ILE A 10 1.657 -9.085 4.818 1.00 1.42 C ATOM 136 CD1 ILE A 10 0.740 -11.471 3.246 1.00 44.41 C ATOM 0 H ILE A 10 -0.410 -11.959 6.699 1.00 2.13 H new ATOM 0 HA ILE A 10 2.186 -11.666 5.550 1.00 41.52 H new ATOM 0 HB ILE A 10 0.007 -9.598 6.067 1.00 32.03 H new ATOM 0 HG12 ILE A 10 -0.795 -11.507 4.728 1.00 42.20 H new ATOM 0 HG13 ILE A 10 -0.731 -10.026 3.794 1.00 42.20 H new ATOM 0 HG21 ILE A 10 1.096 -8.343 4.250 1.00 1.42 H new ATOM 0 HG22 ILE A 10 2.195 -8.592 5.628 1.00 1.42 H new ATOM 0 HG23 ILE A 10 2.369 -9.583 4.160 1.00 1.42 H new ATOM 0 HD11 ILE A 10 0.099 -11.921 2.488 1.00 44.41 H new ATOM 0 HD12 ILE A 10 1.401 -10.743 2.776 1.00 44.41 H new ATOM 0 HD13 ILE A 10 1.337 -12.248 3.724 1.00 44.41 H new ATOM 148 N THR A 11 3.531 -10.356 7.189 1.00 15.03 N ATOM 149 CA THR A 11 4.361 -9.716 8.202 1.00 55.34 C ATOM 150 C THR A 11 4.856 -8.354 7.727 1.00 71.22 C ATOM 151 O THR A 11 5.908 -8.252 7.095 1.00 30.34 O ATOM 152 CB THR A 11 5.573 -10.591 8.570 1.00 35.12 C ATOM 153 OG1 THR A 11 5.134 -11.898 8.956 1.00 0.22 O ATOM 154 CG2 THR A 11 6.370 -9.963 9.703 1.00 11.52 C ATOM 0 H THR A 11 4.044 -10.688 6.372 1.00 15.03 H new ATOM 0 HA THR A 11 3.736 -9.584 9.086 1.00 55.34 H new ATOM 0 HB THR A 11 6.217 -10.668 7.694 1.00 35.12 H new ATOM 0 HG1 THR A 11 5.911 -12.449 9.187 1.00 0.22 H new ATOM 0 HG21 THR A 11 7.221 -10.599 9.945 1.00 11.52 H new ATOM 0 HG22 THR A 11 6.727 -8.980 9.395 1.00 11.52 H new ATOM 0 HG23 THR A 11 5.733 -9.859 10.582 1.00 11.52 H new ATOM 162 N TRP A 12 4.093 -7.312 8.035 1.00 12.51 N ATOM 163 CA TRP A 12 4.456 -5.956 7.640 1.00 70.31 C ATOM 164 C TRP A 12 5.617 -5.437 8.480 1.00 43.10 C ATOM 165 O TRP A 12 5.459 -5.152 9.667 1.00 73.14 O ATOM 166 CB TRP A 12 3.252 -5.022 7.779 1.00 63.52 C ATOM 167 CG TRP A 12 2.188 -5.269 6.753 1.00 64.21 C ATOM 168 CD1 TRP A 12 0.954 -5.813 6.966 1.00 35.24 C ATOM 169 CD2 TRP A 12 2.265 -4.983 5.352 1.00 53.22 C ATOM 170 NE1 TRP A 12 0.259 -5.881 5.783 1.00 71.34 N ATOM 171 CE2 TRP A 12 1.041 -5.378 4.778 1.00 62.43 C ATOM 172 CE3 TRP A 12 3.248 -4.429 4.527 1.00 63.41 C ATOM 173 CZ2 TRP A 12 0.777 -5.237 3.418 1.00 64.44 C ATOM 174 CZ3 TRP A 12 2.984 -4.291 3.177 1.00 2.42 C ATOM 175 CH2 TRP A 12 1.757 -4.693 2.634 1.00 52.21 C ATOM 0 H TRP A 12 3.219 -7.380 8.557 1.00 12.51 H new ATOM 0 HA TRP A 12 4.769 -5.980 6.596 1.00 70.31 H new ATOM 0 HB2 TRP A 12 2.822 -5.140 8.774 1.00 63.52 H new ATOM 0 HB3 TRP A 12 3.591 -3.989 7.699 1.00 63.52 H new ATOM 0 HD1 TRP A 12 0.579 -6.142 7.924 1.00 35.24 H new ATOM 0 HE1 TRP A 12 -0.687 -6.247 5.671 1.00 71.34 H new ATOM 0 HE3 TRP A 12 4.196 -4.114 4.937 1.00 63.41 H new ATOM 0 HZ2 TRP A 12 -0.168 -5.546 2.997 1.00 64.44 H new ATOM 0 HZ3 TRP A 12 3.737 -3.866 2.530 1.00 2.42 H new ATOM 0 HH2 TRP A 12 1.581 -4.571 1.575 1.00 52.21 H new ATOM 186 N ARG A 13 6.785 -5.315 7.857 1.00 12.00 N ATOM 187 CA ARG A 13 7.973 -4.830 8.548 1.00 21.22 C ATOM 188 C ARG A 13 8.317 -3.410 8.110 1.00 72.33 C ATOM 189 O ARG A 13 7.723 -2.878 7.171 1.00 1.05 O ATOM 190 CB ARG A 13 9.159 -5.759 8.281 1.00 42.41 C ATOM 191 CG ARG A 13 8.904 -7.203 8.680 1.00 43.30 C ATOM 192 CD ARG A 13 10.182 -8.027 8.640 1.00 44.22 C ATOM 193 NE ARG A 13 10.257 -8.863 7.444 1.00 14.44 N ATOM 194 CZ ARG A 13 11.391 -9.366 6.969 1.00 31.14 C ATOM 195 NH1 ARG A 13 12.539 -9.118 7.584 1.00 62.52 N ATOM 196 NH2 ARG A 13 11.377 -10.119 5.877 1.00 53.31 N ATOM 0 H ARG A 13 6.933 -5.546 6.875 1.00 12.00 H new ATOM 0 HA ARG A 13 7.761 -4.820 9.617 1.00 21.22 H new ATOM 0 HB2 ARG A 13 9.406 -5.722 7.220 1.00 42.41 H new ATOM 0 HB3 ARG A 13 10.029 -5.389 8.824 1.00 42.41 H new ATOM 0 HG2 ARG A 13 8.481 -7.235 9.684 1.00 43.30 H new ATOM 0 HG3 ARG A 13 8.166 -7.642 8.009 1.00 43.30 H new ATOM 0 HD2 ARG A 13 11.044 -7.361 8.671 1.00 44.22 H new ATOM 0 HD3 ARG A 13 10.234 -8.658 9.527 1.00 44.22 H new ATOM 0 HE ARG A 13 9.391 -9.072 6.947 1.00 14.44 H new ATOM 0 HH11 ARG A 13 12.553 -8.540 8.424 1.00 62.52 H new ATOM 0 HH12 ARG A 13 13.408 -9.506 7.217 1.00 62.52 H new ATOM 0 HH21 ARG A 13 10.495 -10.312 5.402 1.00 53.31 H new ATOM 0 HH22 ARG A 13 12.248 -10.505 5.513 1.00 53.31 H new ATOM 210 N LYS A 14 9.278 -2.801 8.795 1.00 10.12 N ATOM 211 CA LYS A 14 9.702 -1.443 8.477 1.00 4.42 C ATOM 212 C LYS A 14 10.278 -1.368 7.066 1.00 11.15 C ATOM 213 O LYS A 14 10.152 -0.349 6.389 1.00 42.44 O ATOM 214 CB LYS A 14 10.743 -0.960 9.490 1.00 33.35 C ATOM 215 CG LYS A 14 10.635 0.520 9.815 1.00 34.54 C ATOM 216 CD LYS A 14 9.342 0.838 10.548 1.00 63.43 C ATOM 217 CE LYS A 14 8.351 1.553 9.643 1.00 70.21 C ATOM 218 NZ LYS A 14 8.244 3.001 9.973 1.00 15.04 N ATOM 0 H LYS A 14 9.779 -3.227 9.575 1.00 10.12 H new ATOM 0 HA LYS A 14 8.827 -0.796 8.528 1.00 4.42 H new ATOM 0 HB2 LYS A 14 10.636 -1.534 10.410 1.00 33.35 H new ATOM 0 HB3 LYS A 14 11.740 -1.166 9.100 1.00 33.35 H new ATOM 0 HG2 LYS A 14 11.485 0.822 10.427 1.00 34.54 H new ATOM 0 HG3 LYS A 14 10.684 1.100 8.894 1.00 34.54 H new ATOM 0 HD2 LYS A 14 8.897 -0.085 10.920 1.00 63.43 H new ATOM 0 HD3 LYS A 14 9.558 1.460 11.416 1.00 63.43 H new ATOM 0 HE2 LYS A 14 8.660 1.439 8.604 1.00 70.21 H new ATOM 0 HE3 LYS A 14 7.371 1.086 9.737 1.00 70.21 H new ATOM 0 HZ1 LYS A 14 7.559 3.453 9.334 1.00 15.04 H new ATOM 0 HZ2 LYS A 14 7.924 3.110 10.957 1.00 15.04 H new ATOM 0 HZ3 LYS A 14 9.174 3.453 9.859 1.00 15.04 H new ATOM 232 N GLN A 15 10.908 -2.455 6.631 1.00 34.22 N ATOM 233 CA GLN A 15 11.501 -2.512 5.301 1.00 42.51 C ATOM 234 C GLN A 15 10.422 -2.601 4.227 1.00 43.33 C ATOM 235 O GLN A 15 10.550 -2.008 3.155 1.00 72.41 O ATOM 236 CB GLN A 15 12.446 -3.710 5.192 1.00 2.04 C ATOM 237 CG GLN A 15 13.161 -3.802 3.854 1.00 52.43 C ATOM 238 CD GLN A 15 14.209 -4.896 3.825 1.00 12.11 C ATOM 239 OE1 GLN A 15 14.339 -5.672 4.773 1.00 40.41 O ATOM 240 NE2 GLN A 15 14.964 -4.965 2.735 1.00 44.52 N ATOM 0 H GLN A 15 11.020 -3.307 7.180 1.00 34.22 H new ATOM 0 HA GLN A 15 12.069 -1.595 5.144 1.00 42.51 H new ATOM 0 HB2 GLN A 15 13.188 -3.650 5.988 1.00 2.04 H new ATOM 0 HB3 GLN A 15 11.878 -4.626 5.355 1.00 2.04 H new ATOM 0 HG2 GLN A 15 12.429 -3.985 3.067 1.00 52.43 H new ATOM 0 HG3 GLN A 15 13.634 -2.845 3.633 1.00 52.43 H new ATOM 0 HE21 GLN A 15 14.822 -4.302 1.973 1.00 44.52 H new ATOM 0 HE22 GLN A 15 15.686 -5.681 2.659 1.00 44.52 H new ATOM 249 N ASP A 16 9.362 -3.345 4.521 1.00 42.34 N ATOM 250 CA ASP A 16 8.261 -3.511 3.580 1.00 53.12 C ATOM 251 C ASP A 16 7.492 -2.205 3.406 1.00 20.11 C ATOM 252 O ASP A 16 7.247 -1.762 2.284 1.00 54.42 O ATOM 253 CB ASP A 16 7.315 -4.614 4.060 1.00 52.22 C ATOM 254 CG ASP A 16 7.841 -6.002 3.754 1.00 41.04 C ATOM 255 OD1 ASP A 16 8.833 -6.109 3.001 1.00 41.51 O ATOM 256 OD2 ASP A 16 7.263 -6.983 4.266 1.00 12.45 O ATOM 0 H ASP A 16 9.242 -3.843 5.403 1.00 42.34 H new ATOM 0 HA ASP A 16 8.680 -3.796 2.615 1.00 53.12 H new ATOM 0 HB2 ASP A 16 7.162 -4.515 5.135 1.00 52.22 H new ATOM 0 HB3 ASP A 16 6.342 -4.485 3.587 1.00 52.22 H new ATOM 261 N LEU A 17 7.115 -1.594 4.523 1.00 33.33 N ATOM 262 CA LEU A 17 6.372 -0.338 4.496 1.00 65.44 C ATOM 263 C LEU A 17 7.183 0.758 3.812 1.00 63.24 C ATOM 264 O LEU A 17 6.624 1.652 3.176 1.00 42.14 O ATOM 265 CB LEU A 17 6.007 0.094 5.918 1.00 62.44 C ATOM 266 CG LEU A 17 4.669 -0.419 6.451 1.00 24.23 C ATOM 267 CD1 LEU A 17 3.514 0.220 5.696 1.00 34.02 C ATOM 268 CD2 LEU A 17 4.600 -1.936 6.351 1.00 45.54 C ATOM 0 H LEU A 17 7.311 -1.947 5.459 1.00 33.33 H new ATOM 0 HA LEU A 17 5.457 -0.498 3.926 1.00 65.44 H new ATOM 0 HB2 LEU A 17 6.796 -0.240 6.592 1.00 62.44 H new ATOM 0 HB3 LEU A 17 5.997 1.183 5.954 1.00 62.44 H new ATOM 0 HG LEU A 17 4.588 -0.141 7.502 1.00 24.23 H new ATOM 0 HD11 LEU A 17 2.570 -0.157 6.089 1.00 34.02 H new ATOM 0 HD12 LEU A 17 3.553 1.302 5.820 1.00 34.02 H new ATOM 0 HD13 LEU A 17 3.591 -0.027 4.637 1.00 34.02 H new ATOM 0 HD21 LEU A 17 3.641 -2.283 6.735 1.00 45.54 H new ATOM 0 HD22 LEU A 17 4.704 -2.237 5.309 1.00 45.54 H new ATOM 0 HD23 LEU A 17 5.406 -2.376 6.938 1.00 45.54 H new ATOM 280 N ASP A 18 8.502 0.682 3.946 1.00 3.21 N ATOM 281 CA ASP A 18 9.391 1.666 3.339 1.00 72.41 C ATOM 282 C ASP A 18 9.175 1.735 1.830 1.00 34.32 C ATOM 283 O ASP A 18 9.159 2.817 1.245 1.00 52.44 O ATOM 284 CB ASP A 18 10.850 1.323 3.642 1.00 62.13 C ATOM 285 CG ASP A 18 11.802 2.432 3.237 1.00 73.41 C ATOM 286 OD1 ASP A 18 11.899 3.431 3.980 1.00 51.33 O ATOM 287 OD2 ASP A 18 12.451 2.300 2.179 1.00 73.33 O ATOM 0 H ASP A 18 8.980 -0.051 4.470 1.00 3.21 H new ATOM 0 HA ASP A 18 9.159 2.641 3.767 1.00 72.41 H new ATOM 0 HB2 ASP A 18 10.960 1.125 4.708 1.00 62.13 H new ATOM 0 HB3 ASP A 18 11.121 0.406 3.118 1.00 62.13 H new ATOM 292 N ARG A 19 9.008 0.573 1.207 1.00 63.42 N ATOM 293 CA ARG A 19 8.796 0.502 -0.234 1.00 34.35 C ATOM 294 C ARG A 19 7.387 0.964 -0.598 1.00 64.33 C ATOM 295 O ARG A 19 7.201 1.744 -1.532 1.00 52.43 O ATOM 296 CB ARG A 19 9.021 -0.926 -0.734 1.00 33.53 C ATOM 297 CG ARG A 19 9.831 -1.001 -2.018 1.00 23.22 C ATOM 298 CD ARG A 19 10.713 -2.240 -2.049 1.00 1.43 C ATOM 299 NE ARG A 19 11.630 -2.230 -3.185 1.00 44.34 N ATOM 300 CZ ARG A 19 12.726 -1.481 -3.240 1.00 13.43 C ATOM 301 NH1 ARG A 19 13.039 -0.685 -2.227 1.00 1.52 N ATOM 302 NH2 ARG A 19 13.511 -1.527 -4.309 1.00 14.55 N ATOM 0 H ARG A 19 9.015 -0.332 1.677 1.00 63.42 H new ATOM 0 HA ARG A 19 9.514 1.165 -0.716 1.00 34.35 H new ATOM 0 HB2 ARG A 19 9.531 -1.497 0.041 1.00 33.53 H new ATOM 0 HB3 ARG A 19 8.054 -1.402 -0.896 1.00 33.53 H new ATOM 0 HG2 ARG A 19 9.157 -1.011 -2.875 1.00 23.22 H new ATOM 0 HG3 ARG A 19 10.451 -0.109 -2.111 1.00 23.22 H new ATOM 0 HD2 ARG A 19 11.284 -2.302 -1.123 1.00 1.43 H new ATOM 0 HD3 ARG A 19 10.086 -3.130 -2.097 1.00 1.43 H new ATOM 0 HE ARG A 19 11.417 -2.832 -3.981 1.00 44.34 H new ATOM 0 HH11 ARG A 19 12.438 -0.647 -1.404 1.00 1.52 H new ATOM 0 HH12 ARG A 19 13.881 -0.111 -2.271 1.00 1.52 H new ATOM 0 HH21 ARG A 19 13.273 -2.138 -5.090 1.00 14.55 H new ATOM 0 HH22 ARG A 19 14.352 -0.951 -4.349 1.00 14.55 H new ATOM 316 N LEU A 20 6.400 0.475 0.144 1.00 1.13 N ATOM 317 CA LEU A 20 5.008 0.838 -0.101 1.00 33.42 C ATOM 318 C LEU A 20 4.840 2.352 -0.155 1.00 41.52 C ATOM 319 O LEU A 20 4.059 2.873 -0.951 1.00 52.43 O ATOM 320 CB LEU A 20 4.109 0.252 0.990 1.00 15.33 C ATOM 321 CG LEU A 20 2.630 0.632 0.916 1.00 52.14 C ATOM 322 CD1 LEU A 20 1.928 -0.164 -0.175 1.00 44.00 C ATOM 323 CD2 LEU A 20 1.952 0.407 2.260 1.00 4.00 C ATOM 0 H LEU A 20 6.537 -0.173 0.920 1.00 1.13 H new ATOM 0 HA LEU A 20 4.715 0.425 -1.066 1.00 33.42 H new ATOM 0 HB2 LEU A 20 4.187 -0.835 0.952 1.00 15.33 H new ATOM 0 HB3 LEU A 20 4.496 0.566 1.959 1.00 15.33 H new ATOM 0 HG LEU A 20 2.560 1.691 0.669 1.00 52.14 H new ATOM 0 HD11 LEU A 20 0.876 0.120 -0.213 1.00 44.00 H new ATOM 0 HD12 LEU A 20 2.396 0.046 -1.137 1.00 44.00 H new ATOM 0 HD13 LEU A 20 2.009 -1.229 0.042 1.00 44.00 H new ATOM 0 HD21 LEU A 20 0.900 0.683 2.188 1.00 4.00 H new ATOM 0 HD22 LEU A 20 2.033 -0.644 2.537 1.00 4.00 H new ATOM 0 HD23 LEU A 20 2.437 1.021 3.019 1.00 4.00 H new ATOM 335 N LYS A 21 5.582 3.056 0.694 1.00 73.53 N ATOM 336 CA LYS A 21 5.519 4.511 0.742 1.00 44.43 C ATOM 337 C LYS A 21 6.024 5.120 -0.564 1.00 4.14 C ATOM 338 O LYS A 21 5.434 6.066 -1.087 1.00 22.32 O ATOM 339 CB LYS A 21 6.346 5.040 1.916 1.00 13.32 C ATOM 340 CG LYS A 21 6.186 6.532 2.149 1.00 2.13 C ATOM 341 CD LYS A 21 7.328 7.092 2.980 1.00 32.33 C ATOM 342 CE LYS A 21 6.849 8.192 3.915 1.00 25.11 C ATOM 343 NZ LYS A 21 7.224 9.545 3.418 1.00 60.52 N ATOM 0 H LYS A 21 6.235 2.641 1.359 1.00 73.53 H new ATOM 0 HA LYS A 21 4.477 4.800 0.880 1.00 44.43 H new ATOM 0 HB2 LYS A 21 6.058 4.506 2.822 1.00 13.32 H new ATOM 0 HB3 LYS A 21 7.398 4.820 1.737 1.00 13.32 H new ATOM 0 HG2 LYS A 21 6.145 7.049 1.190 1.00 2.13 H new ATOM 0 HG3 LYS A 21 5.239 6.723 2.654 1.00 2.13 H new ATOM 0 HD2 LYS A 21 7.783 6.291 3.562 1.00 32.33 H new ATOM 0 HD3 LYS A 21 8.101 7.485 2.320 1.00 32.33 H new ATOM 0 HE2 LYS A 21 5.766 8.132 4.022 1.00 25.11 H new ATOM 0 HE3 LYS A 21 7.276 8.038 4.906 1.00 25.11 H new ATOM 0 HZ1 LYS A 21 6.880 10.267 4.083 1.00 60.52 H new ATOM 0 HZ2 LYS A 21 8.259 9.612 3.340 1.00 60.52 H new ATOM 0 HZ3 LYS A 21 6.796 9.703 2.484 1.00 60.52 H new ATOM 357 N ARG A 22 7.117 4.571 -1.084 1.00 34.04 N ATOM 358 CA ARG A 22 7.700 5.060 -2.326 1.00 63.04 C ATOM 359 C ARG A 22 6.696 4.966 -3.472 1.00 53.44 C ATOM 360 O ARG A 22 6.775 5.718 -4.444 1.00 33.33 O ATOM 361 CB ARG A 22 8.959 4.264 -2.672 1.00 42.43 C ATOM 362 CG ARG A 22 10.219 5.114 -2.735 1.00 72.24 C ATOM 363 CD ARG A 22 10.432 5.691 -4.126 1.00 4.45 C ATOM 364 NE ARG A 22 9.761 6.978 -4.292 1.00 2.41 N ATOM 365 CZ ARG A 22 9.945 7.772 -5.340 1.00 55.35 C ATOM 366 NH1 ARG A 22 10.773 7.414 -6.312 1.00 22.33 N ATOM 367 NH2 ARG A 22 9.298 8.929 -5.420 1.00 61.23 N ATOM 0 H ARG A 22 7.616 3.787 -0.664 1.00 34.04 H new ATOM 0 HA ARG A 22 7.968 6.107 -2.184 1.00 63.04 H new ATOM 0 HB2 ARG A 22 9.098 3.478 -1.929 1.00 42.43 H new ATOM 0 HB3 ARG A 22 8.815 3.772 -3.634 1.00 42.43 H new ATOM 0 HG2 ARG A 22 10.149 5.925 -2.010 1.00 72.24 H new ATOM 0 HG3 ARG A 22 11.082 4.510 -2.454 1.00 72.24 H new ATOM 0 HD2 ARG A 22 11.500 5.812 -4.309 1.00 4.45 H new ATOM 0 HD3 ARG A 22 10.059 4.989 -4.871 1.00 4.45 H new ATOM 0 HE ARG A 22 9.116 7.283 -3.563 1.00 2.41 H new ATOM 0 HH11 ARG A 22 11.271 6.526 -6.256 1.00 22.33 H new ATOM 0 HH12 ARG A 22 10.912 8.027 -7.115 1.00 22.33 H new ATOM 0 HH21 ARG A 22 8.659 9.208 -4.676 1.00 61.23 H new ATOM 0 HH22 ARG A 22 9.440 9.538 -6.226 1.00 61.23 H new ATOM 381 N VAL A 23 5.752 4.038 -3.351 1.00 23.25 N ATOM 382 CA VAL A 23 4.732 3.846 -4.375 1.00 31.55 C ATOM 383 C VAL A 23 3.597 4.850 -4.214 1.00 31.12 C ATOM 384 O VAL A 23 3.194 5.505 -5.176 1.00 34.21 O ATOM 385 CB VAL A 23 4.152 2.420 -4.328 1.00 30.44 C ATOM 386 CG1 VAL A 23 3.243 2.173 -5.522 1.00 41.20 C ATOM 387 CG2 VAL A 23 5.272 1.391 -4.277 1.00 15.11 C ATOM 0 H VAL A 23 5.673 3.407 -2.553 1.00 23.25 H new ATOM 0 HA VAL A 23 5.217 4.002 -5.339 1.00 31.55 H new ATOM 0 HB VAL A 23 3.555 2.319 -3.421 1.00 30.44 H new ATOM 0 HG11 VAL A 23 2.843 1.160 -5.471 1.00 41.20 H new ATOM 0 HG12 VAL A 23 2.421 2.889 -5.508 1.00 41.20 H new ATOM 0 HG13 VAL A 23 3.813 2.292 -6.444 1.00 41.20 H new ATOM 0 HG21 VAL A 23 4.844 0.389 -4.244 1.00 15.11 H new ATOM 0 HG22 VAL A 23 5.897 1.490 -5.164 1.00 15.11 H new ATOM 0 HG23 VAL A 23 5.878 1.556 -3.386 1.00 15.11 H new ATOM 397 N ILE A 24 3.085 4.967 -2.994 1.00 22.53 N ATOM 398 CA ILE A 24 1.997 5.894 -2.708 1.00 33.35 C ATOM 399 C ILE A 24 2.355 7.312 -3.137 1.00 32.05 C ATOM 400 O ILE A 24 1.478 8.120 -3.441 1.00 73.52 O ATOM 401 CB ILE A 24 1.640 5.898 -1.210 1.00 31.53 C ATOM 402 CG1 ILE A 24 1.242 4.492 -0.754 1.00 41.10 C ATOM 403 CG2 ILE A 24 0.518 6.887 -0.935 1.00 54.00 C ATOM 404 CD1 ILE A 24 1.280 4.309 0.748 1.00 51.23 C ATOM 0 H ILE A 24 3.406 4.431 -2.187 1.00 22.53 H new ATOM 0 HA ILE A 24 1.134 5.552 -3.278 1.00 33.35 H new ATOM 0 HB ILE A 24 2.518 6.208 -0.644 1.00 31.53 H new ATOM 0 HG12 ILE A 24 0.236 4.274 -1.113 1.00 41.10 H new ATOM 0 HG13 ILE A 24 1.910 3.766 -1.217 1.00 41.10 H new ATOM 0 HG21 ILE A 24 0.277 6.878 0.128 1.00 54.00 H new ATOM 0 HG22 ILE A 24 0.836 7.888 -1.227 1.00 54.00 H new ATOM 0 HG23 ILE A 24 -0.365 6.605 -1.509 1.00 54.00 H new ATOM 0 HD11 ILE A 24 0.986 3.289 0.998 1.00 51.23 H new ATOM 0 HD12 ILE A 24 2.291 4.495 1.112 1.00 51.23 H new ATOM 0 HD13 ILE A 24 0.590 5.011 1.218 1.00 51.23 H new ATOM 416 N ALA A 25 3.650 7.608 -3.160 1.00 24.31 N ATOM 417 CA ALA A 25 4.126 8.927 -3.556 1.00 1.31 C ATOM 418 C ALA A 25 4.085 9.094 -5.071 1.00 73.12 C ATOM 419 O ALA A 25 3.918 10.203 -5.580 1.00 61.23 O ATOM 420 CB ALA A 25 5.537 9.159 -3.035 1.00 73.13 C ATOM 0 H ALA A 25 4.389 6.951 -2.909 1.00 24.31 H new ATOM 0 HA ALA A 25 3.462 9.672 -3.117 1.00 1.31 H new ATOM 0 HB1 ALA A 25 5.879 10.148 -3.339 1.00 73.13 H new ATOM 0 HB2 ALA A 25 5.539 9.093 -1.947 1.00 73.13 H new ATOM 0 HB3 ALA A 25 6.205 8.402 -3.446 1.00 73.13 H new ATOM 426 N LEU A 26 4.239 7.986 -5.787 1.00 74.04 N ATOM 427 CA LEU A 26 4.220 8.009 -7.246 1.00 51.13 C ATOM 428 C LEU A 26 2.797 7.861 -7.776 1.00 23.25 C ATOM 429 O LEU A 26 2.310 8.708 -8.523 1.00 42.24 O ATOM 430 CB LEU A 26 5.103 6.892 -7.805 1.00 63.04 C ATOM 431 CG LEU A 26 6.315 7.340 -8.622 1.00 60.25 C ATOM 432 CD1 LEU A 26 7.598 7.139 -7.830 1.00 60.30 C ATOM 433 CD2 LEU A 26 6.378 6.584 -9.942 1.00 53.13 C ATOM 0 H LEU A 26 4.378 7.060 -5.382 1.00 74.04 H new ATOM 0 HA LEU A 26 4.611 8.972 -7.574 1.00 51.13 H new ATOM 0 HB2 LEU A 26 5.456 6.284 -6.972 1.00 63.04 H new ATOM 0 HB3 LEU A 26 4.486 6.247 -8.431 1.00 63.04 H new ATOM 0 HG LEU A 26 6.209 8.403 -8.839 1.00 60.25 H new ATOM 0 HD11 LEU A 26 8.449 7.464 -8.428 1.00 60.30 H new ATOM 0 HD12 LEU A 26 7.555 7.725 -6.912 1.00 60.30 H new ATOM 0 HD13 LEU A 26 7.711 6.084 -7.581 1.00 60.30 H new ATOM 0 HD21 LEU A 26 7.247 6.916 -10.510 1.00 53.13 H new ATOM 0 HD22 LEU A 26 6.460 5.515 -9.745 1.00 53.13 H new ATOM 0 HD23 LEU A 26 5.473 6.779 -10.517 1.00 53.13 H new ATOM 445 N LYS A 27 2.135 6.778 -7.379 1.00 51.54 N ATOM 446 CA LYS A 27 0.766 6.519 -7.810 1.00 2.20 C ATOM 447 C LYS A 27 -0.195 7.545 -7.217 1.00 23.45 C ATOM 448 O LYS A 27 -1.041 8.098 -7.918 1.00 73.42 O ATOM 449 CB LYS A 27 0.340 5.108 -7.401 1.00 14.32 C ATOM 450 CG LYS A 27 0.492 4.081 -8.509 1.00 22.34 C ATOM 451 CD LYS A 27 1.954 3.785 -8.797 1.00 23.20 C ATOM 452 CE LYS A 27 2.265 3.908 -10.281 1.00 21.02 C ATOM 453 NZ LYS A 27 2.141 2.602 -10.985 1.00 14.12 N ATOM 0 H LYS A 27 2.524 6.067 -6.760 1.00 51.54 H new ATOM 0 HA LYS A 27 0.731 6.602 -8.896 1.00 2.20 H new ATOM 0 HB2 LYS A 27 0.933 4.793 -6.542 1.00 14.32 H new ATOM 0 HB3 LYS A 27 -0.701 5.131 -7.079 1.00 14.32 H new ATOM 0 HG2 LYS A 27 -0.018 3.160 -8.225 1.00 22.34 H new ATOM 0 HG3 LYS A 27 0.009 4.447 -9.415 1.00 22.34 H new ATOM 0 HD2 LYS A 27 2.584 4.474 -8.234 1.00 23.20 H new ATOM 0 HD3 LYS A 27 2.197 2.779 -8.455 1.00 23.20 H new ATOM 0 HE2 LYS A 27 1.587 4.631 -10.735 1.00 21.02 H new ATOM 0 HE3 LYS A 27 3.276 4.295 -10.409 1.00 21.02 H new ATOM 0 HZ1 LYS A 27 2.361 2.729 -11.994 1.00 14.12 H new ATOM 0 HZ2 LYS A 27 2.806 1.919 -10.569 1.00 14.12 H new ATOM 0 HZ3 LYS A 27 1.169 2.245 -10.885 1.00 14.12 H new ATOM 467 N LYS A 28 -0.057 7.796 -5.918 1.00 72.42 N ATOM 468 CA LYS A 28 -0.910 8.757 -5.229 1.00 74.25 C ATOM 469 C LYS A 28 -2.382 8.398 -5.402 1.00 53.30 C ATOM 470 O LYS A 28 -3.120 9.043 -6.147 1.00 73.12 O ATOM 471 CB LYS A 28 -0.653 10.169 -5.759 1.00 21.10 C ATOM 472 CG LYS A 28 0.692 10.739 -5.343 1.00 15.13 C ATOM 473 CD LYS A 28 0.543 12.114 -4.712 1.00 30.54 C ATOM 474 CE LYS A 28 1.646 12.384 -3.699 1.00 15.21 C ATOM 475 NZ LYS A 28 1.874 13.843 -3.505 1.00 23.35 N ATOM 0 H LYS A 28 0.638 7.346 -5.322 1.00 72.42 H new ATOM 0 HA LYS A 28 -0.668 8.725 -4.167 1.00 74.25 H new ATOM 0 HB2 LYS A 28 -0.712 10.156 -6.847 1.00 21.10 H new ATOM 0 HB3 LYS A 28 -1.444 10.830 -5.405 1.00 21.10 H new ATOM 0 HG2 LYS A 28 1.172 10.063 -4.635 1.00 15.13 H new ATOM 0 HG3 LYS A 28 1.345 10.806 -6.213 1.00 15.13 H new ATOM 0 HD2 LYS A 28 0.567 12.877 -5.490 1.00 30.54 H new ATOM 0 HD3 LYS A 28 -0.428 12.188 -4.223 1.00 30.54 H new ATOM 0 HE2 LYS A 28 1.383 11.927 -2.745 1.00 15.21 H new ATOM 0 HE3 LYS A 28 2.570 11.913 -4.034 1.00 15.21 H new ATOM 0 HZ1 LYS A 28 2.632 13.986 -2.808 1.00 23.35 H new ATOM 0 HZ2 LYS A 28 2.150 14.275 -4.410 1.00 23.35 H new ATOM 0 HZ3 LYS A 28 0.999 14.288 -3.161 1.00 23.35 H new ATOM 489 N PRO A 29 -2.823 7.346 -4.696 1.00 35.30 N ATOM 490 CA PRO A 29 -4.212 6.880 -4.752 1.00 63.11 C ATOM 491 C PRO A 29 -5.178 7.855 -4.088 1.00 72.11 C ATOM 492 O PRO A 29 -4.761 8.843 -3.485 1.00 41.42 O ATOM 493 CB PRO A 29 -4.174 5.557 -3.983 1.00 63.23 C ATOM 494 CG PRO A 29 -3.012 5.689 -3.060 1.00 64.44 C ATOM 495 CD PRO A 29 -1.999 6.531 -3.787 1.00 31.12 C ATOM 0 HA PRO A 29 -4.568 6.782 -5.778 1.00 63.11 H new ATOM 0 HB2 PRO A 29 -5.100 5.392 -3.432 1.00 63.23 H new ATOM 0 HB3 PRO A 29 -4.049 4.710 -4.658 1.00 63.23 H new ATOM 0 HG2 PRO A 29 -3.310 6.159 -2.123 1.00 64.44 H new ATOM 0 HG3 PRO A 29 -2.600 4.712 -2.810 1.00 64.44 H new ATOM 0 HD2 PRO A 29 -1.425 7.152 -3.099 1.00 31.12 H new ATOM 0 HD3 PRO A 29 -1.284 5.917 -4.334 1.00 31.12 H new ATOM 503 N SER A 30 -6.471 7.569 -4.203 1.00 53.14 N ATOM 504 CA SER A 30 -7.497 8.423 -3.617 1.00 34.13 C ATOM 505 C SER A 30 -8.476 7.601 -2.783 1.00 51.52 C ATOM 506 O SER A 30 -9.692 7.754 -2.904 1.00 44.22 O ATOM 507 CB SER A 30 -8.251 9.178 -4.713 1.00 73.31 C ATOM 508 OG SER A 30 -7.364 9.643 -5.715 1.00 25.41 O ATOM 0 H SER A 30 -6.833 6.753 -4.696 1.00 53.14 H new ATOM 0 HA SER A 30 -7.005 9.144 -2.964 1.00 34.13 H new ATOM 0 HB2 SER A 30 -8.999 8.524 -5.161 1.00 73.31 H new ATOM 0 HB3 SER A 30 -8.785 10.022 -4.276 1.00 73.31 H new ATOM 0 HG SER A 30 -7.871 10.121 -6.405 1.00 25.41 H new ATOM 514 N ALA A 31 -7.937 6.730 -1.937 1.00 41.14 N ATOM 515 CA ALA A 31 -8.762 5.885 -1.083 1.00 11.45 C ATOM 516 C ALA A 31 -9.770 5.090 -1.904 1.00 53.10 C ATOM 517 O ALA A 31 -10.954 5.425 -1.945 1.00 53.03 O ATOM 518 CB ALA A 31 -9.477 6.730 -0.038 1.00 11.21 C ATOM 0 H ALA A 31 -6.933 6.591 -1.825 1.00 41.14 H new ATOM 0 HA ALA A 31 -8.108 5.175 -0.576 1.00 11.45 H new ATOM 0 HB1 ALA A 31 -10.090 6.086 0.593 1.00 11.21 H new ATOM 0 HB2 ALA A 31 -8.741 7.247 0.577 1.00 11.21 H new ATOM 0 HB3 ALA A 31 -10.113 7.462 -0.535 1.00 11.21 H new ATOM 524 N SER A 32 -9.294 4.036 -2.559 1.00 23.32 N ATOM 525 CA SER A 32 -10.154 3.196 -3.385 1.00 5.13 C ATOM 526 C SER A 32 -9.360 2.053 -4.008 1.00 24.44 C ATOM 527 O SER A 32 -8.261 2.255 -4.524 1.00 62.11 O ATOM 528 CB SER A 32 -10.816 4.030 -4.482 1.00 2.10 C ATOM 529 OG SER A 32 -12.103 4.469 -4.084 1.00 32.22 O ATOM 0 H SER A 32 -8.317 3.743 -2.534 1.00 23.32 H new ATOM 0 HA SER A 32 -10.928 2.771 -2.745 1.00 5.13 H new ATOM 0 HB2 SER A 32 -10.191 4.892 -4.715 1.00 2.10 H new ATOM 0 HB3 SER A 32 -10.896 3.439 -5.394 1.00 2.10 H new ATOM 0 HG SER A 32 -12.031 4.979 -3.250 1.00 32.22 H new ATOM 535 N ASP A 33 -9.924 0.851 -3.956 1.00 50.40 N ATOM 536 CA ASP A 33 -9.270 -0.326 -4.515 1.00 53.34 C ATOM 537 C ASP A 33 -8.919 -0.105 -5.984 1.00 71.32 C ATOM 538 O ASP A 33 -7.985 -0.713 -6.507 1.00 12.43 O ATOM 539 CB ASP A 33 -10.172 -1.553 -4.373 1.00 12.12 C ATOM 540 CG ASP A 33 -10.735 -1.698 -2.973 1.00 14.51 C ATOM 541 OD1 ASP A 33 -11.644 -0.921 -2.617 1.00 10.45 O ATOM 542 OD2 ASP A 33 -10.266 -2.589 -2.234 1.00 65.12 O ATOM 0 H ASP A 33 -10.833 0.666 -3.532 1.00 50.40 H new ATOM 0 HA ASP A 33 -8.347 -0.497 -3.960 1.00 53.34 H new ATOM 0 HB2 ASP A 33 -10.993 -1.481 -5.086 1.00 12.12 H new ATOM 0 HB3 ASP A 33 -9.605 -2.448 -4.628 1.00 12.12 H new ATOM 547 N ALA A 34 -9.674 0.768 -6.643 1.00 23.12 N ATOM 548 CA ALA A 34 -9.442 1.069 -8.050 1.00 5.31 C ATOM 549 C ALA A 34 -8.094 1.755 -8.250 1.00 61.50 C ATOM 550 O ALA A 34 -7.430 1.555 -9.267 1.00 2.10 O ATOM 551 CB ALA A 34 -10.564 1.939 -8.596 1.00 51.10 C ATOM 0 H ALA A 34 -10.451 1.279 -6.225 1.00 23.12 H new ATOM 0 HA ALA A 34 -9.427 0.128 -8.599 1.00 5.31 H new ATOM 0 HB1 ALA A 34 -10.377 2.156 -9.648 1.00 51.10 H new ATOM 0 HB2 ALA A 34 -11.513 1.413 -8.497 1.00 51.10 H new ATOM 0 HB3 ALA A 34 -10.606 2.873 -8.035 1.00 51.10 H new ATOM 557 N ASP A 35 -7.697 2.563 -7.274 1.00 14.51 N ATOM 558 CA ASP A 35 -6.428 3.278 -7.342 1.00 31.34 C ATOM 559 C ASP A 35 -5.320 2.485 -6.656 1.00 45.30 C ATOM 560 O ASP A 35 -4.162 2.532 -7.071 1.00 72.32 O ATOM 561 CB ASP A 35 -6.560 4.658 -6.696 1.00 31.44 C ATOM 562 CG ASP A 35 -7.019 5.716 -7.679 1.00 70.01 C ATOM 563 OD1 ASP A 35 -7.962 5.441 -8.450 1.00 61.30 O ATOM 564 OD2 ASP A 35 -6.437 6.821 -7.676 1.00 11.23 O ATOM 0 H ASP A 35 -8.236 2.740 -6.426 1.00 14.51 H new ATOM 0 HA ASP A 35 -6.165 3.401 -8.393 1.00 31.34 H new ATOM 0 HB2 ASP A 35 -7.268 4.603 -5.869 1.00 31.44 H new ATOM 0 HB3 ASP A 35 -5.599 4.951 -6.273 1.00 31.44 H new ATOM 569 N TRP A 36 -5.682 1.761 -5.604 1.00 31.24 N ATOM 570 CA TRP A 36 -4.718 0.958 -4.859 1.00 51.31 C ATOM 571 C TRP A 36 -4.209 -0.204 -5.705 1.00 2.22 C ATOM 572 O TRP A 36 -3.160 -0.782 -5.416 1.00 34.10 O ATOM 573 CB TRP A 36 -5.351 0.430 -3.570 1.00 63.23 C ATOM 574 CG TRP A 36 -5.214 1.372 -2.413 1.00 22.31 C ATOM 575 CD1 TRP A 36 -6.193 2.158 -1.875 1.00 42.04 C ATOM 576 CD2 TRP A 36 -4.029 1.626 -1.650 1.00 51.40 C ATOM 577 NE1 TRP A 36 -5.689 2.886 -0.826 1.00 42.32 N ATOM 578 CE2 TRP A 36 -4.364 2.578 -0.667 1.00 23.43 C ATOM 579 CE3 TRP A 36 -2.719 1.142 -1.701 1.00 10.41 C ATOM 580 CZ2 TRP A 36 -3.434 3.053 0.255 1.00 62.12 C ATOM 581 CZ3 TRP A 36 -1.798 1.615 -0.786 1.00 40.24 C ATOM 582 CH2 TRP A 36 -2.159 2.562 0.181 1.00 34.25 C ATOM 0 H TRP A 36 -6.636 1.713 -5.247 1.00 31.24 H new ATOM 0 HA TRP A 36 -3.871 1.595 -4.604 1.00 51.31 H new ATOM 0 HB2 TRP A 36 -6.409 0.234 -3.747 1.00 63.23 H new ATOM 0 HB3 TRP A 36 -4.889 -0.523 -3.311 1.00 63.23 H new ATOM 0 HD1 TRP A 36 -7.214 2.201 -2.224 1.00 42.04 H new ATOM 0 HE1 TRP A 36 -6.216 3.549 -0.257 1.00 42.32 H new ATOM 0 HE3 TRP A 36 -2.432 0.411 -2.442 1.00 10.41 H new ATOM 0 HZ2 TRP A 36 -3.710 3.783 1.002 1.00 62.12 H new ATOM 0 HZ3 TRP A 36 -0.783 1.248 -0.817 1.00 40.24 H new ATOM 0 HH2 TRP A 36 -1.416 2.912 0.882 1.00 34.25 H new ATOM 593 N THR A 37 -4.957 -0.542 -6.750 1.00 20.12 N ATOM 594 CA THR A 37 -4.582 -1.636 -7.636 1.00 64.00 C ATOM 595 C THR A 37 -3.243 -1.362 -8.313 1.00 13.13 C ATOM 596 O THR A 37 -2.468 -2.282 -8.569 1.00 3.12 O ATOM 597 CB THR A 37 -5.652 -1.875 -8.719 1.00 1.13 C ATOM 598 OG1 THR A 37 -5.412 -3.123 -9.378 1.00 50.00 O ATOM 599 CG2 THR A 37 -5.648 -0.747 -9.741 1.00 22.12 C ATOM 0 H THR A 37 -5.827 -0.073 -7.004 1.00 20.12 H new ATOM 0 HA THR A 37 -4.497 -2.529 -7.016 1.00 64.00 H new ATOM 0 HB THR A 37 -6.628 -1.903 -8.235 1.00 1.13 H new ATOM 0 HG1 THR A 37 -6.097 -3.268 -10.064 1.00 50.00 H new ATOM 0 HG21 THR A 37 -6.411 -0.937 -10.496 1.00 22.12 H new ATOM 0 HG22 THR A 37 -5.860 0.198 -9.241 1.00 22.12 H new ATOM 0 HG23 THR A 37 -4.670 -0.693 -10.220 1.00 22.12 H new ATOM 607 N GLU A 38 -2.979 -0.091 -8.597 1.00 21.20 N ATOM 608 CA GLU A 38 -1.733 0.303 -9.243 1.00 41.10 C ATOM 609 C GLU A 38 -0.597 0.394 -8.227 1.00 73.44 C ATOM 610 O GLU A 38 0.566 0.160 -8.556 1.00 72.41 O ATOM 611 CB GLU A 38 -1.904 1.647 -9.954 1.00 5.31 C ATOM 612 CG GLU A 38 -2.768 1.570 -11.201 1.00 41.45 C ATOM 613 CD GLU A 38 -2.920 2.913 -11.890 1.00 60.14 C ATOM 614 OE1 GLU A 38 -2.038 3.778 -11.706 1.00 12.12 O ATOM 615 OE2 GLU A 38 -3.921 3.097 -12.614 1.00 4.03 O ATOM 0 H GLU A 38 -3.611 0.683 -8.390 1.00 21.20 H new ATOM 0 HA GLU A 38 -1.479 -0.460 -9.979 1.00 41.10 H new ATOM 0 HB2 GLU A 38 -2.346 2.362 -9.260 1.00 5.31 H new ATOM 0 HB3 GLU A 38 -0.921 2.032 -10.226 1.00 5.31 H new ATOM 0 HG2 GLU A 38 -2.330 0.856 -11.898 1.00 41.45 H new ATOM 0 HG3 GLU A 38 -3.754 1.190 -10.933 1.00 41.45 H new ATOM 622 N VAL A 39 -0.944 0.737 -6.990 1.00 72.42 N ATOM 623 CA VAL A 39 0.044 0.858 -5.926 1.00 13.35 C ATOM 624 C VAL A 39 0.460 -0.512 -5.403 1.00 24.13 C ATOM 625 O VAL A 39 1.625 -0.734 -5.070 1.00 31.35 O ATOM 626 CB VAL A 39 -0.494 1.700 -4.753 1.00 33.11 C ATOM 627 CG1 VAL A 39 0.602 1.955 -3.731 1.00 15.33 C ATOM 628 CG2 VAL A 39 -1.075 3.011 -5.262 1.00 70.31 C ATOM 0 H VAL A 39 -1.902 0.936 -6.701 1.00 72.42 H new ATOM 0 HA VAL A 39 0.911 1.359 -6.356 1.00 13.35 H new ATOM 0 HB VAL A 39 -1.291 1.141 -4.263 1.00 33.11 H new ATOM 0 HG11 VAL A 39 0.203 2.551 -2.910 1.00 15.33 H new ATOM 0 HG12 VAL A 39 0.967 1.004 -3.344 1.00 15.33 H new ATOM 0 HG13 VAL A 39 1.423 2.493 -4.205 1.00 15.33 H new ATOM 0 HG21 VAL A 39 -1.451 3.594 -4.421 1.00 70.31 H new ATOM 0 HG22 VAL A 39 -0.299 3.577 -5.778 1.00 70.31 H new ATOM 0 HG23 VAL A 39 -1.892 2.803 -5.953 1.00 70.31 H new ATOM 638 N LEU A 40 -0.499 -1.429 -5.333 1.00 45.13 N ATOM 639 CA LEU A 40 -0.232 -2.780 -4.852 1.00 62.14 C ATOM 640 C LEU A 40 0.408 -3.631 -5.944 1.00 11.01 C ATOM 641 O LEU A 40 1.027 -4.657 -5.661 1.00 43.33 O ATOM 642 CB LEU A 40 -1.528 -3.436 -4.372 1.00 23.15 C ATOM 643 CG LEU A 40 -2.239 -4.336 -5.383 1.00 2.14 C ATOM 644 CD1 LEU A 40 -1.732 -5.766 -5.274 1.00 41.42 C ATOM 645 CD2 LEU A 40 -3.746 -4.285 -5.175 1.00 63.42 C ATOM 0 H LEU A 40 -1.468 -1.262 -5.603 1.00 45.13 H new ATOM 0 HA LEU A 40 0.465 -2.711 -4.017 1.00 62.14 H new ATOM 0 HB2 LEU A 40 -1.305 -4.027 -3.483 1.00 23.15 H new ATOM 0 HB3 LEU A 40 -2.218 -2.650 -4.067 1.00 23.15 H new ATOM 0 HG LEU A 40 -2.018 -3.969 -6.385 1.00 2.14 H new ATOM 0 HD11 LEU A 40 -2.249 -6.392 -6.001 1.00 41.42 H new ATOM 0 HD12 LEU A 40 -0.661 -5.788 -5.473 1.00 41.42 H new ATOM 0 HD13 LEU A 40 -1.922 -6.144 -4.269 1.00 41.42 H new ATOM 0 HD21 LEU A 40 -4.236 -4.931 -5.903 1.00 63.42 H new ATOM 0 HD22 LEU A 40 -3.986 -4.626 -4.168 1.00 63.42 H new ATOM 0 HD23 LEU A 40 -4.097 -3.261 -5.305 1.00 63.42 H new ATOM 657 N ARG A 41 0.256 -3.197 -7.190 1.00 72.04 N ATOM 658 CA ARG A 41 0.820 -3.919 -8.325 1.00 1.34 C ATOM 659 C ARG A 41 2.307 -4.188 -8.112 1.00 44.42 C ATOM 660 O ARG A 41 2.787 -5.299 -8.343 1.00 22.44 O ATOM 661 CB ARG A 41 0.614 -3.124 -9.616 1.00 0.15 C ATOM 662 CG ARG A 41 -0.367 -3.772 -10.580 1.00 1.22 C ATOM 663 CD ARG A 41 -0.287 -3.142 -11.962 1.00 31.23 C ATOM 664 NE ARG A 41 -0.480 -4.127 -13.023 1.00 35.10 N ATOM 665 CZ ARG A 41 0.474 -4.949 -13.446 1.00 23.03 C ATOM 666 NH1 ARG A 41 1.681 -4.905 -12.899 1.00 10.01 N ATOM 667 NH2 ARG A 41 0.221 -5.818 -14.416 1.00 53.21 N ATOM 0 H ARG A 41 -0.253 -2.349 -7.440 1.00 72.04 H new ATOM 0 HA ARG A 41 0.303 -4.875 -8.409 1.00 1.34 H new ATOM 0 HB2 ARG A 41 0.257 -2.125 -9.365 1.00 0.15 H new ATOM 0 HB3 ARG A 41 1.575 -3.003 -10.116 1.00 0.15 H new ATOM 0 HG2 ARG A 41 -0.157 -4.839 -10.652 1.00 1.22 H new ATOM 0 HG3 ARG A 41 -1.381 -3.672 -10.191 1.00 1.22 H new ATOM 0 HD2 ARG A 41 -1.043 -2.362 -12.049 1.00 31.23 H new ATOM 0 HD3 ARG A 41 0.683 -2.661 -12.086 1.00 31.23 H new ATOM 0 HE ARG A 41 -1.398 -4.187 -13.464 1.00 35.10 H new ATOM 0 HH11 ARG A 41 1.878 -4.239 -12.152 1.00 10.01 H new ATOM 0 HH12 ARG A 41 2.412 -5.537 -13.225 1.00 10.01 H new ATOM 0 HH21 ARG A 41 -0.707 -5.855 -14.838 1.00 53.21 H new ATOM 0 HH22 ARG A 41 0.954 -6.449 -14.740 1.00 53.21 H new ATOM 681 N LEU A 42 3.032 -3.165 -7.674 1.00 41.02 N ATOM 682 CA LEU A 42 4.465 -3.290 -7.431 1.00 15.32 C ATOM 683 C LEU A 42 4.739 -4.237 -6.267 1.00 30.11 C ATOM 684 O LEU A 42 5.572 -5.138 -6.369 1.00 74.52 O ATOM 685 CB LEU A 42 5.075 -1.917 -7.141 1.00 63.23 C ATOM 686 CG LEU A 42 5.926 -1.312 -8.258 1.00 71.31 C ATOM 687 CD1 LEU A 42 5.049 -0.873 -9.420 1.00 75.02 C ATOM 688 CD2 LEU A 42 6.743 -0.141 -7.731 1.00 63.44 C ATOM 0 H LEU A 42 2.651 -2.239 -7.480 1.00 41.02 H new ATOM 0 HA LEU A 42 4.926 -3.703 -8.328 1.00 15.32 H new ATOM 0 HB2 LEU A 42 4.266 -1.223 -6.911 1.00 63.23 H new ATOM 0 HB3 LEU A 42 5.691 -1.997 -6.245 1.00 63.23 H new ATOM 0 HG LEU A 42 6.614 -2.076 -8.619 1.00 71.31 H new ATOM 0 HD11 LEU A 42 5.672 -0.445 -10.205 1.00 75.02 H new ATOM 0 HD12 LEU A 42 4.509 -1.734 -9.814 1.00 75.02 H new ATOM 0 HD13 LEU A 42 4.336 -0.125 -9.075 1.00 75.02 H new ATOM 0 HD21 LEU A 42 7.343 0.277 -8.539 1.00 63.44 H new ATOM 0 HD22 LEU A 42 6.072 0.625 -7.343 1.00 63.44 H new ATOM 0 HD23 LEU A 42 7.400 -0.486 -6.933 1.00 63.44 H new ATOM 700 N LEU A 43 4.031 -4.028 -5.162 1.00 63.02 N ATOM 701 CA LEU A 43 4.196 -4.864 -3.978 1.00 44.35 C ATOM 702 C LEU A 43 3.743 -6.294 -4.255 1.00 1.44 C ATOM 703 O LEU A 43 4.043 -7.210 -3.489 1.00 52.30 O ATOM 704 CB LEU A 43 3.405 -4.283 -2.805 1.00 32.13 C ATOM 705 CG LEU A 43 4.210 -3.965 -1.545 1.00 43.13 C ATOM 706 CD1 LEU A 43 3.334 -3.272 -0.513 1.00 23.34 C ATOM 707 CD2 LEU A 43 4.819 -5.234 -0.965 1.00 50.13 C ATOM 0 H LEU A 43 3.337 -3.287 -5.061 1.00 63.02 H new ATOM 0 HA LEU A 43 5.255 -4.882 -3.720 1.00 44.35 H new ATOM 0 HB2 LEU A 43 2.916 -3.368 -3.140 1.00 32.13 H new ATOM 0 HB3 LEU A 43 2.616 -4.987 -2.540 1.00 32.13 H new ATOM 0 HG LEU A 43 5.021 -3.289 -1.817 1.00 43.13 H new ATOM 0 HD11 LEU A 43 3.924 -3.053 0.377 1.00 23.34 H new ATOM 0 HD12 LEU A 43 2.947 -2.342 -0.930 1.00 23.34 H new ATOM 0 HD13 LEU A 43 2.502 -3.923 -0.246 1.00 23.34 H new ATOM 0 HD21 LEU A 43 5.388 -4.988 -0.069 1.00 50.13 H new ATOM 0 HD22 LEU A 43 4.024 -5.935 -0.709 1.00 50.13 H new ATOM 0 HD23 LEU A 43 5.481 -5.689 -1.702 1.00 50.13 H new ATOM 719 N ALA A 44 3.019 -6.478 -5.354 1.00 64.21 N ATOM 720 CA ALA A 44 2.528 -7.796 -5.734 1.00 21.43 C ATOM 721 C ALA A 44 3.660 -8.819 -5.753 1.00 53.23 C ATOM 722 O ALA A 44 3.432 -10.016 -5.576 1.00 72.02 O ATOM 723 CB ALA A 44 1.846 -7.735 -7.092 1.00 41.30 C ATOM 0 H ALA A 44 2.760 -5.730 -5.997 1.00 64.21 H new ATOM 0 HA ALA A 44 1.799 -8.113 -4.989 1.00 21.43 H new ATOM 0 HB1 ALA A 44 1.484 -8.727 -7.362 1.00 41.30 H new ATOM 0 HB2 ALA A 44 1.006 -7.042 -7.046 1.00 41.30 H new ATOM 0 HB3 ALA A 44 2.559 -7.392 -7.842 1.00 41.30 H new ATOM 729 N LYS A 45 4.880 -8.341 -5.971 1.00 42.13 N ATOM 730 CA LYS A 45 6.048 -9.212 -6.013 1.00 43.24 C ATOM 731 C LYS A 45 6.183 -10.005 -4.718 1.00 31.15 C ATOM 732 O LYS A 45 6.802 -11.067 -4.691 1.00 65.52 O ATOM 733 CB LYS A 45 7.315 -8.389 -6.255 1.00 64.21 C ATOM 734 CG LYS A 45 7.653 -7.443 -5.116 1.00 73.34 C ATOM 735 CD LYS A 45 9.088 -6.952 -5.206 1.00 3.31 C ATOM 736 CE LYS A 45 9.200 -5.715 -6.084 1.00 71.44 C ATOM 737 NZ LYS A 45 10.239 -4.773 -5.585 1.00 1.11 N ATOM 0 H LYS A 45 5.086 -7.353 -6.122 1.00 42.13 H new ATOM 0 HA LYS A 45 5.916 -9.915 -6.836 1.00 43.24 H new ATOM 0 HB2 LYS A 45 8.154 -9.067 -6.414 1.00 64.21 H new ATOM 0 HB3 LYS A 45 7.194 -7.812 -7.172 1.00 64.21 H new ATOM 0 HG2 LYS A 45 6.974 -6.591 -5.136 1.00 73.34 H new ATOM 0 HG3 LYS A 45 7.500 -7.950 -4.163 1.00 73.34 H new ATOM 0 HD2 LYS A 45 9.459 -6.725 -4.207 1.00 3.31 H new ATOM 0 HD3 LYS A 45 9.720 -7.744 -5.609 1.00 3.31 H new ATOM 0 HE2 LYS A 45 9.441 -6.014 -7.104 1.00 71.44 H new ATOM 0 HE3 LYS A 45 8.236 -5.207 -6.120 1.00 71.44 H new ATOM 0 HZ1 LYS A 45 10.284 -3.943 -6.210 1.00 1.11 H new ATOM 0 HZ2 LYS A 45 9.996 -4.467 -4.621 1.00 1.11 H new ATOM 0 HZ3 LYS A 45 11.163 -5.250 -5.574 1.00 1.11 H new ATOM 751 N GLU A 46 5.598 -9.481 -3.645 1.00 2.21 N ATOM 752 CA GLU A 46 5.654 -10.140 -2.346 1.00 62.51 C ATOM 753 C GLU A 46 4.329 -10.827 -2.028 1.00 33.34 C ATOM 754 O GLU A 46 4.019 -11.096 -0.867 1.00 45.53 O ATOM 755 CB GLU A 46 5.994 -9.129 -1.249 1.00 64.54 C ATOM 756 CG GLU A 46 7.479 -8.825 -1.141 1.00 40.11 C ATOM 757 CD GLU A 46 8.185 -9.713 -0.136 1.00 30.32 C ATOM 758 OE1 GLU A 46 8.147 -9.393 1.070 1.00 1.34 O ATOM 759 OE2 GLU A 46 8.776 -10.730 -0.557 1.00 35.32 O ATOM 0 H GLU A 46 5.080 -8.602 -3.650 1.00 2.21 H new ATOM 0 HA GLU A 46 6.437 -10.898 -2.385 1.00 62.51 H new ATOM 0 HB2 GLU A 46 5.455 -8.201 -1.442 1.00 64.54 H new ATOM 0 HB3 GLU A 46 5.639 -9.511 -0.292 1.00 64.54 H new ATOM 0 HG2 GLU A 46 7.943 -8.949 -2.119 1.00 40.11 H new ATOM 0 HG3 GLU A 46 7.612 -7.782 -0.855 1.00 40.11 H new ATOM 766 N GLY A 47 3.549 -11.109 -3.067 1.00 0.51 N ATOM 767 CA GLY A 47 2.267 -11.760 -2.878 1.00 53.43 C ATOM 768 C GLY A 47 1.409 -11.061 -1.842 1.00 53.41 C ATOM 769 O GLY A 47 0.871 -11.699 -0.937 1.00 24.42 O ATOM 0 H GLY A 47 3.783 -10.898 -4.037 1.00 0.51 H new ATOM 0 HA2 GLY A 47 1.734 -11.788 -3.828 1.00 53.43 H new ATOM 0 HA3 GLY A 47 2.429 -12.794 -2.573 1.00 53.43 H new ATOM 773 N VAL A 48 1.279 -9.744 -1.974 1.00 62.32 N ATOM 774 CA VAL A 48 0.481 -8.957 -1.042 1.00 4.14 C ATOM 775 C VAL A 48 -1.009 -9.192 -1.261 1.00 14.33 C ATOM 776 O VAL A 48 -1.467 -9.332 -2.396 1.00 4.13 O ATOM 777 CB VAL A 48 0.778 -7.452 -1.180 1.00 63.01 C ATOM 778 CG1 VAL A 48 -0.183 -6.637 -0.328 1.00 32.12 C ATOM 779 CG2 VAL A 48 2.222 -7.158 -0.799 1.00 14.43 C ATOM 0 H VAL A 48 1.717 -9.200 -2.718 1.00 62.32 H new ATOM 0 HA VAL A 48 0.754 -9.283 -0.038 1.00 4.14 H new ATOM 0 HB VAL A 48 0.634 -7.165 -2.222 1.00 63.01 H new ATOM 0 HG11 VAL A 48 0.043 -5.576 -0.439 1.00 32.12 H new ATOM 0 HG12 VAL A 48 -1.206 -6.826 -0.652 1.00 32.12 H new ATOM 0 HG13 VAL A 48 -0.075 -6.924 0.718 1.00 32.12 H new ATOM 0 HG21 VAL A 48 2.415 -6.090 -0.902 1.00 14.43 H new ATOM 0 HG22 VAL A 48 2.394 -7.460 0.234 1.00 14.43 H new ATOM 0 HG23 VAL A 48 2.892 -7.713 -1.456 1.00 14.43 H new ATOM 789 N VAL A 49 -1.763 -9.232 -0.167 1.00 34.43 N ATOM 790 CA VAL A 49 -3.203 -9.449 -0.239 1.00 51.25 C ATOM 791 C VAL A 49 -3.894 -8.307 -0.977 1.00 73.13 C ATOM 792 O VAL A 49 -3.262 -7.314 -1.333 1.00 2.40 O ATOM 793 CB VAL A 49 -3.821 -9.586 1.165 1.00 12.11 C ATOM 794 CG1 VAL A 49 -3.361 -10.875 1.828 1.00 73.43 C ATOM 795 CG2 VAL A 49 -3.467 -8.380 2.023 1.00 64.51 C ATOM 0 H VAL A 49 -1.401 -9.117 0.779 1.00 34.43 H new ATOM 0 HA VAL A 49 -3.356 -10.378 -0.787 1.00 51.25 H new ATOM 0 HB VAL A 49 -4.906 -9.625 1.063 1.00 12.11 H new ATOM 0 HG11 VAL A 49 -3.808 -10.954 2.819 1.00 73.43 H new ATOM 0 HG12 VAL A 49 -3.670 -11.726 1.222 1.00 73.43 H new ATOM 0 HG13 VAL A 49 -2.275 -10.870 1.919 1.00 73.43 H new ATOM 0 HG21 VAL A 49 -3.912 -8.494 3.012 1.00 64.51 H new ATOM 0 HG22 VAL A 49 -2.384 -8.307 2.119 1.00 64.51 H new ATOM 0 HG23 VAL A 49 -3.852 -7.474 1.554 1.00 64.51 H new ATOM 805 N GLU A 50 -5.196 -8.457 -1.202 1.00 64.30 N ATOM 806 CA GLU A 50 -5.972 -7.439 -1.899 1.00 52.12 C ATOM 807 C GLU A 50 -5.662 -6.049 -1.350 1.00 3.40 C ATOM 808 O GLU A 50 -5.173 -5.890 -0.231 1.00 75.41 O ATOM 809 CB GLU A 50 -7.469 -7.728 -1.768 1.00 31.23 C ATOM 810 CG GLU A 50 -7.877 -8.212 -0.386 1.00 3.12 C ATOM 811 CD GLU A 50 -8.068 -9.715 -0.327 1.00 13.22 C ATOM 812 OE1 GLU A 50 -7.055 -10.444 -0.375 1.00 40.35 O ATOM 813 OE2 GLU A 50 -9.231 -10.162 -0.232 1.00 65.05 O ATOM 0 H GLU A 50 -5.735 -9.273 -0.912 1.00 64.30 H new ATOM 0 HA GLU A 50 -5.695 -7.466 -2.953 1.00 52.12 H new ATOM 0 HB2 GLU A 50 -8.027 -6.823 -2.006 1.00 31.23 H new ATOM 0 HB3 GLU A 50 -7.751 -8.480 -2.505 1.00 31.23 H new ATOM 0 HG2 GLU A 50 -7.116 -7.918 0.337 1.00 3.12 H new ATOM 0 HG3 GLU A 50 -8.804 -7.720 -0.092 1.00 3.12 H new ATOM 820 N PRO A 51 -5.952 -5.017 -2.156 1.00 65.11 N ATOM 821 CA PRO A 51 -5.713 -3.622 -1.773 1.00 62.41 C ATOM 822 C PRO A 51 -6.657 -3.153 -0.671 1.00 64.45 C ATOM 823 O PRO A 51 -6.363 -2.195 0.043 1.00 65.02 O ATOM 824 CB PRO A 51 -5.976 -2.849 -3.068 1.00 23.11 C ATOM 825 CG PRO A 51 -6.907 -3.715 -3.844 1.00 13.25 C ATOM 826 CD PRO A 51 -6.536 -5.131 -3.503 1.00 21.42 C ATOM 0 HA PRO A 51 -4.711 -3.476 -1.369 1.00 62.41 H new ATOM 0 HB2 PRO A 51 -6.419 -1.874 -2.864 1.00 23.11 H new ATOM 0 HB3 PRO A 51 -5.051 -2.670 -3.617 1.00 23.11 H new ATOM 0 HG2 PRO A 51 -7.944 -3.509 -3.579 1.00 13.25 H new ATOM 0 HG3 PRO A 51 -6.809 -3.533 -4.914 1.00 13.25 H new ATOM 0 HD2 PRO A 51 -7.407 -5.787 -3.509 1.00 21.42 H new ATOM 0 HD3 PRO A 51 -5.822 -5.542 -4.217 1.00 21.42 H new ATOM 834 N GLU A 52 -7.790 -3.835 -0.539 1.00 52.13 N ATOM 835 CA GLU A 52 -8.777 -3.486 0.476 1.00 21.22 C ATOM 836 C GLU A 52 -8.131 -3.404 1.856 1.00 23.35 C ATOM 837 O GLU A 52 -8.550 -2.617 2.705 1.00 40.51 O ATOM 838 CB GLU A 52 -9.910 -4.513 0.492 1.00 30.50 C ATOM 839 CG GLU A 52 -11.220 -3.967 1.032 1.00 14.35 C ATOM 840 CD GLU A 52 -12.389 -4.901 0.785 1.00 75.22 C ATOM 841 OE1 GLU A 52 -12.951 -4.867 -0.330 1.00 23.50 O ATOM 842 OE2 GLU A 52 -12.741 -5.666 1.708 1.00 55.13 O ATOM 0 H GLU A 52 -8.047 -4.632 -1.122 1.00 52.13 H new ATOM 0 HA GLU A 52 -9.187 -2.508 0.226 1.00 21.22 H new ATOM 0 HB2 GLU A 52 -10.070 -4.881 -0.522 1.00 30.50 H new ATOM 0 HB3 GLU A 52 -9.606 -5.367 1.097 1.00 30.50 H new ATOM 0 HG2 GLU A 52 -11.121 -3.790 2.103 1.00 14.35 H new ATOM 0 HG3 GLU A 52 -11.426 -3.003 0.567 1.00 14.35 H new ATOM 849 N VAL A 53 -7.107 -4.224 2.074 1.00 43.31 N ATOM 850 CA VAL A 53 -6.402 -4.244 3.350 1.00 15.11 C ATOM 851 C VAL A 53 -5.281 -3.211 3.376 1.00 73.13 C ATOM 852 O VAL A 53 -5.184 -2.408 4.303 1.00 1.30 O ATOM 853 CB VAL A 53 -5.809 -5.636 3.641 1.00 14.43 C ATOM 854 CG1 VAL A 53 -5.178 -5.668 5.024 1.00 23.24 C ATOM 855 CG2 VAL A 53 -6.880 -6.709 3.510 1.00 42.52 C ATOM 0 H VAL A 53 -6.748 -4.883 1.383 1.00 43.31 H new ATOM 0 HA VAL A 53 -7.134 -4.000 4.120 1.00 15.11 H new ATOM 0 HB VAL A 53 -5.030 -5.841 2.907 1.00 14.43 H new ATOM 0 HG11 VAL A 53 -4.764 -6.659 5.212 1.00 23.24 H new ATOM 0 HG12 VAL A 53 -4.381 -4.926 5.078 1.00 23.24 H new ATOM 0 HG13 VAL A 53 -5.935 -5.442 5.775 1.00 23.24 H new ATOM 0 HG21 VAL A 53 -6.444 -7.686 3.719 1.00 42.52 H new ATOM 0 HG22 VAL A 53 -7.683 -6.511 4.220 1.00 42.52 H new ATOM 0 HG23 VAL A 53 -7.282 -6.700 2.497 1.00 42.52 H new ATOM 865 N VAL A 54 -4.436 -3.236 2.349 1.00 35.31 N ATOM 866 CA VAL A 54 -3.323 -2.301 2.253 1.00 22.34 C ATOM 867 C VAL A 54 -3.801 -0.861 2.402 1.00 5.44 C ATOM 868 O VAL A 54 -3.057 0.006 2.863 1.00 21.41 O ATOM 869 CB VAL A 54 -2.581 -2.448 0.911 1.00 33.13 C ATOM 870 CG1 VAL A 54 -1.346 -1.561 0.883 1.00 2.33 C ATOM 871 CG2 VAL A 54 -2.209 -3.902 0.665 1.00 41.22 C ATOM 0 H VAL A 54 -4.502 -3.894 1.572 1.00 35.31 H new ATOM 0 HA VAL A 54 -2.638 -2.539 3.067 1.00 22.34 H new ATOM 0 HB VAL A 54 -3.247 -2.127 0.110 1.00 33.13 H new ATOM 0 HG11 VAL A 54 -0.835 -1.679 -0.073 1.00 2.33 H new ATOM 0 HG12 VAL A 54 -1.643 -0.520 1.010 1.00 2.33 H new ATOM 0 HG13 VAL A 54 -0.674 -1.848 1.691 1.00 2.33 H new ATOM 0 HG21 VAL A 54 -1.686 -3.988 -0.287 1.00 41.22 H new ATOM 0 HG22 VAL A 54 -1.561 -4.253 1.468 1.00 41.22 H new ATOM 0 HG23 VAL A 54 -3.114 -4.509 0.638 1.00 41.22 H new ATOM 881 N ARG A 55 -5.045 -0.612 2.010 1.00 30.01 N ATOM 882 CA ARG A 55 -5.622 0.724 2.099 1.00 73.00 C ATOM 883 C ARG A 55 -5.745 1.166 3.554 1.00 31.24 C ATOM 884 O ARG A 55 -5.469 2.318 3.888 1.00 62.24 O ATOM 885 CB ARG A 55 -6.997 0.754 1.428 1.00 3.11 C ATOM 886 CG ARG A 55 -7.760 2.048 1.663 1.00 44.44 C ATOM 887 CD ARG A 55 -8.841 2.254 0.614 1.00 50.24 C ATOM 888 NE ARG A 55 -9.988 1.377 0.830 1.00 15.03 N ATOM 889 CZ ARG A 55 -10.848 1.525 1.832 1.00 21.31 C ATOM 890 NH1 ARG A 55 -10.691 2.512 2.704 1.00 74.01 N ATOM 891 NH2 ARG A 55 -11.867 0.685 1.963 1.00 51.52 N ATOM 0 H ARG A 55 -5.674 -1.318 1.627 1.00 30.01 H new ATOM 0 HA ARG A 55 -4.957 1.416 1.581 1.00 73.00 H new ATOM 0 HB2 ARG A 55 -6.872 0.605 0.355 1.00 3.11 H new ATOM 0 HB3 ARG A 55 -7.591 -0.081 1.799 1.00 3.11 H new ATOM 0 HG2 ARG A 55 -8.212 2.030 2.655 1.00 44.44 H new ATOM 0 HG3 ARG A 55 -7.067 2.889 1.643 1.00 44.44 H new ATOM 0 HD2 ARG A 55 -9.171 3.293 0.632 1.00 50.24 H new ATOM 0 HD3 ARG A 55 -8.425 2.069 -0.376 1.00 50.24 H new ATOM 0 HE ARG A 55 -10.137 0.609 0.176 1.00 15.03 H new ATOM 0 HH11 ARG A 55 -9.909 3.159 2.606 1.00 74.01 H new ATOM 0 HH12 ARG A 55 -11.352 2.624 3.472 1.00 74.01 H new ATOM 0 HH21 ARG A 55 -11.991 -0.075 1.294 1.00 51.52 H new ATOM 0 HH22 ARG A 55 -12.527 0.799 2.733 1.00 51.52 H new ATOM 905 N GLN A 56 -6.162 0.243 4.416 1.00 51.24 N ATOM 906 CA GLN A 56 -6.323 0.540 5.833 1.00 22.34 C ATOM 907 C GLN A 56 -4.998 0.387 6.575 1.00 31.23 C ATOM 908 O GLN A 56 -4.623 1.241 7.378 1.00 55.52 O ATOM 909 CB GLN A 56 -7.377 -0.381 6.452 1.00 5.42 C ATOM 910 CG GLN A 56 -8.413 0.355 7.285 1.00 40.30 C ATOM 911 CD GLN A 56 -8.098 0.328 8.768 1.00 32.10 C ATOM 912 OE1 GLN A 56 -8.803 -0.309 9.552 1.00 64.12 O ATOM 913 NE2 GLN A 56 -7.036 1.021 9.161 1.00 62.43 N ATOM 0 H GLN A 56 -6.394 -0.716 4.157 1.00 51.24 H new ATOM 0 HA GLN A 56 -6.654 1.574 5.927 1.00 22.34 H new ATOM 0 HB2 GLN A 56 -7.884 -0.926 5.656 1.00 5.42 H new ATOM 0 HB3 GLN A 56 -6.878 -1.121 7.078 1.00 5.42 H new ATOM 0 HG2 GLN A 56 -8.474 1.390 6.950 1.00 40.30 H new ATOM 0 HG3 GLN A 56 -9.393 -0.093 7.118 1.00 40.30 H new ATOM 0 HE21 GLN A 56 -6.480 1.534 8.477 1.00 62.43 H new ATOM 0 HE22 GLN A 56 -6.776 1.040 10.147 1.00 62.43 H new ATOM 922 N ILE A 57 -4.295 -0.707 6.301 1.00 31.11 N ATOM 923 CA ILE A 57 -3.013 -0.971 6.942 1.00 54.32 C ATOM 924 C ILE A 57 -2.037 0.178 6.711 1.00 61.34 C ATOM 925 O ILE A 57 -1.294 0.565 7.613 1.00 51.44 O ATOM 926 CB ILE A 57 -2.383 -2.277 6.423 1.00 32.52 C ATOM 927 CG1 ILE A 57 -3.318 -3.459 6.686 1.00 32.20 C ATOM 928 CG2 ILE A 57 -1.030 -2.509 7.079 1.00 42.33 C ATOM 929 CD1 ILE A 57 -3.544 -3.735 8.157 1.00 73.12 C ATOM 0 H ILE A 57 -4.592 -1.425 5.640 1.00 31.11 H new ATOM 0 HA ILE A 57 -3.208 -1.071 8.010 1.00 54.32 H new ATOM 0 HB ILE A 57 -2.233 -2.189 5.347 1.00 32.52 H new ATOM 0 HG12 ILE A 57 -4.279 -3.265 6.209 1.00 32.20 H new ATOM 0 HG13 ILE A 57 -2.904 -4.351 6.217 1.00 32.20 H new ATOM 0 HG21 ILE A 57 -0.597 -3.436 6.702 1.00 42.33 H new ATOM 0 HG22 ILE A 57 -0.365 -1.677 6.846 1.00 42.33 H new ATOM 0 HG23 ILE A 57 -1.157 -2.581 8.159 1.00 42.33 H new ATOM 0 HD11 ILE A 57 -4.216 -4.586 8.268 1.00 73.12 H new ATOM 0 HD12 ILE A 57 -2.591 -3.961 8.635 1.00 73.12 H new ATOM 0 HD13 ILE A 57 -3.988 -2.858 8.628 1.00 73.12 H new ATOM 941 N ALA A 58 -2.044 0.719 5.498 1.00 53.34 N ATOM 942 CA ALA A 58 -1.163 1.827 5.149 1.00 20.31 C ATOM 943 C ALA A 58 -1.451 3.050 6.012 1.00 25.45 C ATOM 944 O ALA A 58 -0.617 3.949 6.129 1.00 22.32 O ATOM 945 CB ALA A 58 -1.308 2.172 3.674 1.00 0.42 C ATOM 0 H ALA A 58 -2.651 0.408 4.739 1.00 53.34 H new ATOM 0 HA ALA A 58 -0.136 1.516 5.338 1.00 20.31 H new ATOM 0 HB1 ALA A 58 -0.645 3.001 3.427 1.00 0.42 H new ATOM 0 HB2 ALA A 58 -1.044 1.304 3.070 1.00 0.42 H new ATOM 0 HB3 ALA A 58 -2.339 2.459 3.467 1.00 0.42 H new ATOM 951 N ILE A 59 -2.635 3.079 6.614 1.00 21.41 N ATOM 952 CA ILE A 59 -3.031 4.193 7.467 1.00 61.52 C ATOM 953 C ILE A 59 -2.478 4.027 8.879 1.00 42.34 C ATOM 954 O ILE A 59 -1.957 4.976 9.468 1.00 60.54 O ATOM 955 CB ILE A 59 -4.564 4.327 7.540 1.00 30.13 C ATOM 956 CG1 ILE A 59 -5.151 4.496 6.138 1.00 2.21 C ATOM 957 CG2 ILE A 59 -4.950 5.502 8.428 1.00 60.42 C ATOM 958 CD1 ILE A 59 -6.645 4.271 6.077 1.00 52.11 C ATOM 0 H ILE A 59 -3.337 2.344 6.527 1.00 21.41 H new ATOM 0 HA ILE A 59 -2.616 5.097 7.021 1.00 61.52 H new ATOM 0 HB ILE A 59 -4.974 3.416 7.976 1.00 30.13 H new ATOM 0 HG12 ILE A 59 -4.928 5.501 5.778 1.00 2.21 H new ATOM 0 HG13 ILE A 59 -4.659 3.798 5.460 1.00 2.21 H new ATOM 0 HG21 ILE A 59 -6.036 5.585 8.470 1.00 60.42 H new ATOM 0 HG22 ILE A 59 -4.559 5.343 9.433 1.00 60.42 H new ATOM 0 HG23 ILE A 59 -4.532 6.421 8.017 1.00 60.42 H new ATOM 0 HD11 ILE A 59 -6.992 4.407 5.053 1.00 52.11 H new ATOM 0 HD12 ILE A 59 -6.874 3.257 6.406 1.00 52.11 H new ATOM 0 HD13 ILE A 59 -7.148 4.986 6.729 1.00 52.11 H new ATOM 970 N THR A 60 -2.593 2.817 9.415 1.00 1.43 N ATOM 971 CA THR A 60 -2.104 2.527 10.758 1.00 22.11 C ATOM 972 C THR A 60 -0.629 2.143 10.735 1.00 64.55 C ATOM 973 O THR A 60 -0.022 1.911 11.780 1.00 21.53 O ATOM 974 CB THR A 60 -2.908 1.390 11.416 1.00 53.22 C ATOM 975 OG1 THR A 60 -2.535 0.132 10.844 1.00 21.45 O ATOM 976 CG2 THR A 60 -4.403 1.611 11.235 1.00 71.24 C ATOM 0 H THR A 60 -3.020 2.022 8.941 1.00 1.43 H new ATOM 0 HA THR A 60 -2.231 3.438 11.343 1.00 22.11 H new ATOM 0 HB THR A 60 -2.683 1.385 12.482 1.00 53.22 H new ATOM 0 HG1 THR A 60 -3.049 -0.586 11.269 1.00 21.45 H new ATOM 0 HG21 THR A 60 -4.951 0.796 11.708 1.00 71.24 H new ATOM 0 HG22 THR A 60 -4.690 2.556 11.696 1.00 71.24 H new ATOM 0 HG23 THR A 60 -4.640 1.639 10.172 1.00 71.24 H new ATOM 984 N ARG A 61 -0.058 2.078 9.536 1.00 12.45 N ATOM 985 CA ARG A 61 1.347 1.721 9.378 1.00 51.33 C ATOM 986 C ARG A 61 2.136 2.878 8.772 1.00 61.33 C ATOM 987 O ARG A 61 3.178 3.274 9.295 1.00 22.55 O ATOM 988 CB ARG A 61 1.482 0.479 8.495 1.00 43.23 C ATOM 989 CG ARG A 61 0.868 -0.771 9.103 1.00 71.03 C ATOM 990 CD ARG A 61 1.515 -1.119 10.434 1.00 61.23 C ATOM 991 NE ARG A 61 1.555 -2.561 10.662 1.00 73.24 N ATOM 992 CZ ARG A 61 2.367 -3.145 11.536 1.00 51.54 C ATOM 993 NH1 ARG A 61 3.202 -2.413 12.260 1.00 65.42 N ATOM 994 NH2 ARG A 61 2.344 -4.463 11.687 1.00 44.12 N ATOM 0 H ARG A 61 -0.546 2.268 8.661 1.00 12.45 H new ATOM 0 HA ARG A 61 1.755 1.503 10.365 1.00 51.33 H new ATOM 0 HB2 ARG A 61 1.009 0.675 7.533 1.00 43.23 H new ATOM 0 HB3 ARG A 61 2.539 0.296 8.299 1.00 43.23 H new ATOM 0 HG2 ARG A 61 -0.202 -0.619 9.246 1.00 71.03 H new ATOM 0 HG3 ARG A 61 0.982 -1.607 8.412 1.00 71.03 H new ATOM 0 HD2 ARG A 61 2.529 -0.720 10.460 1.00 61.23 H new ATOM 0 HD3 ARG A 61 0.963 -0.639 11.242 1.00 61.23 H new ATOM 0 HE ARG A 61 0.925 -3.152 10.120 1.00 73.24 H new ATOM 0 HH11 ARG A 61 3.222 -1.400 12.146 1.00 65.42 H new ATOM 0 HH12 ARG A 61 3.825 -2.863 12.931 1.00 65.42 H new ATOM 0 HH21 ARG A 61 1.702 -5.029 11.132 1.00 44.12 H new ATOM 0 HH22 ARG A 61 2.968 -4.910 12.358 1.00 44.12 H new ATOM 1008 N LEU A 62 1.635 3.415 7.666 1.00 73.20 N ATOM 1009 CA LEU A 62 2.293 4.527 6.987 1.00 34.44 C ATOM 1010 C LEU A 62 1.661 5.857 7.382 1.00 13.35 C ATOM 1011 O LEU A 62 1.895 6.882 6.743 1.00 3.22 O ATOM 1012 CB LEU A 62 2.215 4.343 5.471 1.00 63.52 C ATOM 1013 CG LEU A 62 3.515 3.933 4.778 1.00 63.53 C ATOM 1014 CD1 LEU A 62 3.265 3.637 3.306 1.00 4.54 C ATOM 1015 CD2 LEU A 62 4.569 5.020 4.934 1.00 72.33 C ATOM 0 H LEU A 62 0.774 3.099 7.219 1.00 73.20 H new ATOM 0 HA LEU A 62 3.339 4.538 7.292 1.00 34.44 H new ATOM 0 HB2 LEU A 62 1.458 3.589 5.255 1.00 63.52 H new ATOM 0 HB3 LEU A 62 1.870 5.278 5.029 1.00 63.52 H new ATOM 0 HG LEU A 62 3.886 3.025 5.252 1.00 63.53 H new ATOM 0 HD11 LEU A 62 4.201 3.347 2.829 1.00 4.54 H new ATOM 0 HD12 LEU A 62 2.545 2.824 3.216 1.00 4.54 H new ATOM 0 HD13 LEU A 62 2.870 4.528 2.818 1.00 4.54 H new ATOM 0 HD21 LEU A 62 5.487 4.711 4.435 1.00 72.33 H new ATOM 0 HD22 LEU A 62 4.206 5.945 4.486 1.00 72.33 H new ATOM 0 HD23 LEU A 62 4.769 5.183 5.993 1.00 72.33 H new ATOM 1027 N LYS A 63 0.859 5.834 8.443 1.00 72.45 N ATOM 1028 CA LYS A 63 0.195 7.038 8.927 1.00 75.11 C ATOM 1029 C LYS A 63 -0.538 7.748 7.793 1.00 1.42 C ATOM 1030 O LYS A 63 -0.682 8.971 7.805 1.00 73.14 O ATOM 1031 CB LYS A 63 1.213 7.986 9.563 1.00 64.11 C ATOM 1032 CG LYS A 63 1.859 7.430 10.820 1.00 4.43 C ATOM 1033 CD LYS A 63 2.247 8.538 11.785 1.00 41.51 C ATOM 1034 CE LYS A 63 1.751 8.250 13.194 1.00 73.22 C ATOM 1035 NZ LYS A 63 1.710 9.481 14.030 1.00 11.42 N ATOM 0 H LYS A 63 0.654 4.994 8.983 1.00 72.45 H new ATOM 0 HA LYS A 63 -0.536 6.742 9.680 1.00 75.11 H new ATOM 0 HB2 LYS A 63 1.991 8.212 8.834 1.00 64.11 H new ATOM 0 HB3 LYS A 63 0.719 8.927 9.804 1.00 64.11 H new ATOM 0 HG2 LYS A 63 1.169 6.743 11.311 1.00 4.43 H new ATOM 0 HG3 LYS A 63 2.744 6.854 10.551 1.00 4.43 H new ATOM 0 HD2 LYS A 63 3.331 8.649 11.796 1.00 41.51 H new ATOM 0 HD3 LYS A 63 1.833 9.485 11.439 1.00 41.51 H new ATOM 0 HE2 LYS A 63 0.755 7.811 13.146 1.00 73.22 H new ATOM 0 HE3 LYS A 63 2.402 7.513 13.665 1.00 73.22 H new ATOM 0 HZ1 LYS A 63 1.367 9.243 14.982 1.00 11.42 H new ATOM 0 HZ2 LYS A 63 2.665 9.887 14.098 1.00 11.42 H new ATOM 0 HZ3 LYS A 63 1.069 10.175 13.595 1.00 11.42 H new ATOM 1049 N TRP A 64 -0.999 6.975 6.816 1.00 2.15 N ATOM 1050 CA TRP A 64 -1.717 7.532 5.676 1.00 74.11 C ATOM 1051 C TRP A 64 -3.056 8.118 6.110 1.00 41.10 C ATOM 1052 O TRP A 64 -3.616 7.724 7.133 1.00 22.44 O ATOM 1053 CB TRP A 64 -1.939 6.455 4.613 1.00 51.44 C ATOM 1054 CG TRP A 64 -2.425 7.003 3.304 1.00 15.13 C ATOM 1055 CD1 TRP A 64 -1.860 8.012 2.578 1.00 73.23 C ATOM 1056 CD2 TRP A 64 -3.577 6.574 2.571 1.00 53.23 C ATOM 1057 NE1 TRP A 64 -2.592 8.236 1.436 1.00 62.22 N ATOM 1058 CE2 TRP A 64 -3.649 7.365 1.408 1.00 40.41 C ATOM 1059 CE3 TRP A 64 -4.554 5.597 2.781 1.00 12.44 C ATOM 1060 CZ2 TRP A 64 -4.659 7.210 0.463 1.00 72.13 C ATOM 1061 CZ3 TRP A 64 -5.557 5.444 1.843 1.00 25.50 C ATOM 1062 CH2 TRP A 64 -5.603 6.245 0.695 1.00 41.21 C ATOM 0 H TRP A 64 -0.888 5.961 6.791 1.00 2.15 H new ATOM 0 HA TRP A 64 -1.111 8.333 5.252 1.00 74.11 H new ATOM 0 HB2 TRP A 64 -1.005 5.918 4.449 1.00 51.44 H new ATOM 0 HB3 TRP A 64 -2.662 5.730 4.986 1.00 51.44 H new ATOM 0 HD1 TRP A 64 -0.969 8.554 2.859 1.00 73.23 H new ATOM 0 HE1 TRP A 64 -2.382 8.937 0.725 1.00 62.22 H new ATOM 0 HE3 TRP A 64 -4.526 4.972 3.661 1.00 12.44 H new ATOM 0 HZ2 TRP A 64 -4.697 7.828 -0.422 1.00 72.13 H new ATOM 0 HZ3 TRP A 64 -6.318 4.694 1.998 1.00 25.50 H new ATOM 0 HH2 TRP A 64 -6.398 6.099 -0.021 1.00 41.21 H new ATOM 1073 N VAL A 65 -3.566 9.063 5.326 1.00 65.23 N ATOM 1074 CA VAL A 65 -4.840 9.703 5.628 1.00 12.04 C ATOM 1075 C VAL A 65 -5.554 10.138 4.354 1.00 42.34 C ATOM 1076 O VAL A 65 -5.057 10.984 3.611 1.00 14.23 O ATOM 1077 CB VAL A 65 -4.650 10.930 6.542 1.00 61.54 C ATOM 1078 CG1 VAL A 65 -5.986 11.601 6.821 1.00 61.44 C ATOM 1079 CG2 VAL A 65 -3.965 10.526 7.838 1.00 34.33 C ATOM 0 H VAL A 65 -3.115 9.402 4.476 1.00 65.23 H new ATOM 0 HA VAL A 65 -5.449 8.963 6.147 1.00 12.04 H new ATOM 0 HB VAL A 65 -4.011 11.649 6.029 1.00 61.54 H new ATOM 0 HG11 VAL A 65 -5.831 12.465 7.468 1.00 61.44 H new ATOM 0 HG12 VAL A 65 -6.433 11.926 5.882 1.00 61.44 H new ATOM 0 HG13 VAL A 65 -6.653 10.893 7.314 1.00 61.44 H new ATOM 0 HG21 VAL A 65 -3.839 11.404 8.472 1.00 34.33 H new ATOM 0 HG22 VAL A 65 -4.576 9.788 8.358 1.00 34.33 H new ATOM 0 HG23 VAL A 65 -2.989 10.096 7.615 1.00 34.33 H new ATOM 1089 N GLU A 66 -6.722 9.553 4.107 1.00 45.23 N ATOM 1090 CA GLU A 66 -7.504 9.881 2.921 1.00 63.31 C ATOM 1091 C GLU A 66 -7.699 11.390 2.797 1.00 21.41 C ATOM 1092 O GLU A 66 -7.624 12.133 3.776 1.00 63.14 O ATOM 1093 CB GLU A 66 -8.864 9.182 2.970 1.00 4.51 C ATOM 1094 CG GLU A 66 -9.543 9.267 4.327 1.00 74.13 C ATOM 1095 CD GLU A 66 -9.478 7.960 5.094 1.00 14.43 C ATOM 1096 OE1 GLU A 66 -10.222 7.024 4.736 1.00 41.10 O ATOM 1097 OE2 GLU A 66 -8.683 7.875 6.053 1.00 42.53 O ATOM 0 H GLU A 66 -7.147 8.850 4.712 1.00 45.23 H new ATOM 0 HA GLU A 66 -6.955 9.530 2.047 1.00 63.31 H new ATOM 0 HB2 GLU A 66 -9.518 9.624 2.218 1.00 4.51 H new ATOM 0 HB3 GLU A 66 -8.734 8.133 2.703 1.00 4.51 H new ATOM 0 HG2 GLU A 66 -9.072 10.054 4.916 1.00 74.13 H new ATOM 0 HG3 GLU A 66 -10.586 9.552 4.190 1.00 74.13 H new ATOM 1104 N PRO A 67 -7.954 11.853 1.565 1.00 5.01 N ATOM 1105 CA PRO A 67 -8.165 13.277 1.283 1.00 62.44 C ATOM 1106 C PRO A 67 -9.481 13.792 1.856 1.00 42.24 C ATOM 1107 O PRO A 67 -9.495 14.503 2.861 1.00 24.10 O ATOM 1108 CB PRO A 67 -8.188 13.336 -0.247 1.00 20.23 C ATOM 1109 CG PRO A 67 -8.617 11.974 -0.672 1.00 24.23 C ATOM 1110 CD PRO A 67 -8.057 11.025 0.351 1.00 33.34 C ATOM 0 HA PRO A 67 -7.394 13.901 1.736 1.00 62.44 H new ATOM 0 HB2 PRO A 67 -8.881 14.098 -0.603 1.00 20.23 H new ATOM 0 HB3 PRO A 67 -7.206 13.585 -0.648 1.00 20.23 H new ATOM 0 HG2 PRO A 67 -9.704 11.903 -0.716 1.00 24.23 H new ATOM 0 HG3 PRO A 67 -8.242 11.740 -1.668 1.00 24.23 H new ATOM 0 HD2 PRO A 67 -8.712 10.167 0.504 1.00 33.34 H new ATOM 0 HD3 PRO A 67 -7.086 10.634 0.047 1.00 33.34 H new TER 1118 PRO A 67