USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 584 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 42 TYR OH : rot 21:sc= 1.92 USER MOD Set 1.2: A 67 MET CE :methyl 158:sc= -4.42! (180deg=-4.69!) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0912 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 142:sc= 1.27 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.105 F(o=-1.5!,f=-0.1) USER MOD Single : A 11 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.028) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0317 F(o=-1.1!,f=-0.032) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 1.02 (180deg=0.993) USER MOD Single : A 32 ASN : amide:sc= -0.0155 K(o=-0.015,f=-1) USER MOD Single : A 38 TYR OH : rot 162:sc= -2.28! USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 1.17 (180deg=0.954) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.0353 F(o=-0.59,f=-0.035) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00951 USER MOD Single : A 69 THR OG1 : rot 88:sc= 0.774 USER MOD Single : A 71 SER OG : rot 46:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.718 2.103 -1.962 1.00 35.34 N ATOM 2 CA GLY A 1 5.757 0.956 -2.898 1.00 55.43 C ATOM 3 C GLY A 1 5.704 -0.361 -2.160 1.00 51.14 C ATOM 4 O GLY A 1 5.918 -0.394 -0.950 1.00 72.35 O ATOM 0 H1 GLY A 1 4.786 2.562 -2.015 1.00 35.34 H new ATOM 0 H2 GLY A 1 5.883 1.766 -0.992 1.00 35.34 H new ATOM 0 H3 GLY A 1 6.457 2.788 -2.221 1.00 35.34 H new ATOM 0 HA2 GLY A 1 4.917 1.021 -3.590 1.00 55.43 H new ATOM 0 HA3 GLY A 1 6.667 1.003 -3.496 1.00 55.43 H new ATOM 10 N PRO A 2 5.414 -1.468 -2.861 1.00 72.10 N ATOM 11 CA PRO A 2 5.324 -2.795 -2.248 1.00 11.23 C ATOM 12 C PRO A 2 6.677 -3.270 -1.729 1.00 35.21 C ATOM 13 O PRO A 2 7.495 -3.800 -2.481 1.00 11.13 O ATOM 14 CB PRO A 2 4.838 -3.701 -3.389 1.00 52.12 C ATOM 15 CG PRO A 2 4.348 -2.777 -4.450 1.00 45.52 C ATOM 16 CD PRO A 2 5.152 -1.519 -4.303 1.00 34.41 C ATOM 0 HA PRO A 2 4.659 -2.800 -1.384 1.00 11.23 H new ATOM 0 HB2 PRO A 2 5.646 -4.332 -3.760 1.00 52.12 H new ATOM 0 HB3 PRO A 2 4.044 -4.366 -3.051 1.00 52.12 H new ATOM 0 HG2 PRO A 2 4.482 -3.213 -5.440 1.00 45.52 H new ATOM 0 HG3 PRO A 2 3.283 -2.576 -4.332 1.00 45.52 H new ATOM 0 HD2 PRO A 2 6.075 -1.559 -4.881 1.00 34.41 H new ATOM 0 HD3 PRO A 2 4.600 -0.644 -4.645 1.00 34.41 H new ATOM 24 N THR A 3 6.919 -3.045 -0.451 1.00 75.23 N ATOM 25 CA THR A 3 8.178 -3.414 0.158 1.00 20.44 C ATOM 26 C THR A 3 8.081 -4.769 0.849 1.00 14.14 C ATOM 27 O THR A 3 7.154 -5.025 1.622 1.00 41.35 O ATOM 28 CB THR A 3 8.631 -2.342 1.168 1.00 44.42 C ATOM 29 OG1 THR A 3 7.516 -1.911 1.965 1.00 62.22 O ATOM 30 CG2 THR A 3 9.245 -1.145 0.454 1.00 1.30 C ATOM 0 H THR A 3 6.255 -2.606 0.186 1.00 75.23 H new ATOM 0 HA THR A 3 8.919 -3.485 -0.638 1.00 20.44 H new ATOM 0 HB THR A 3 9.388 -2.785 1.815 1.00 44.42 H new ATOM 0 HG1 THR A 3 7.811 -1.764 2.888 1.00 62.22 H new ATOM 0 HG21 THR A 3 9.556 -0.403 1.189 1.00 1.30 H new ATOM 0 HG22 THR A 3 10.111 -1.470 -0.122 1.00 1.30 H new ATOM 0 HG23 THR A 3 8.508 -0.704 -0.217 1.00 1.30 H new ATOM 38 N SER A 4 9.028 -5.643 0.549 1.00 71.02 N ATOM 39 CA SER A 4 9.130 -6.914 1.238 1.00 42.34 C ATOM 40 C SER A 4 10.095 -6.764 2.401 1.00 25.41 C ATOM 41 O SER A 4 11.318 -6.804 2.228 1.00 72.11 O ATOM 42 CB SER A 4 9.605 -8.005 0.276 1.00 74.12 C ATOM 43 OG SER A 4 8.719 -8.130 -0.825 1.00 34.13 O ATOM 0 H SER A 4 9.737 -5.493 -0.169 1.00 71.02 H new ATOM 0 HA SER A 4 8.151 -7.208 1.616 1.00 42.34 H new ATOM 0 HB2 SER A 4 10.606 -7.768 -0.083 1.00 74.12 H new ATOM 0 HB3 SER A 4 9.672 -8.956 0.804 1.00 74.12 H new ATOM 0 HG SER A 4 9.043 -8.832 -1.428 1.00 34.13 H new ATOM 49 N GLU A 5 9.541 -6.560 3.582 1.00 73.11 N ATOM 50 CA GLU A 5 10.340 -6.275 4.757 1.00 2.22 C ATOM 51 C GLU A 5 10.132 -7.344 5.814 1.00 63.11 C ATOM 52 O GLU A 5 9.135 -7.342 6.534 1.00 33.12 O ATOM 53 CB GLU A 5 9.972 -4.895 5.307 1.00 74.03 C ATOM 54 CG GLU A 5 10.171 -3.776 4.295 1.00 3.23 C ATOM 55 CD GLU A 5 9.596 -2.458 4.761 1.00 61.35 C ATOM 56 OE1 GLU A 5 10.326 -1.680 5.409 1.00 21.51 O ATOM 57 OE2 GLU A 5 8.411 -2.190 4.477 1.00 22.25 O1- ATOM 0 H GLU A 5 8.536 -6.587 3.752 1.00 73.11 H new ATOM 0 HA GLU A 5 11.394 -6.276 4.479 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.931 -4.905 5.629 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.577 -4.690 6.190 1.00 74.03 H new ATOM 0 HG2 GLU A 5 11.236 -3.654 4.099 1.00 3.23 H new ATOM 0 HG3 GLU A 5 9.704 -4.058 3.351 1.00 3.23 H new ATOM 64 N GLY A 6 11.062 -8.275 5.873 1.00 13.15 N ATOM 65 CA GLY A 6 11.000 -9.322 6.856 1.00 42.42 C ATOM 66 C GLY A 6 12.340 -9.989 7.033 1.00 52.24 C ATOM 67 O GLY A 6 13.232 -9.814 6.201 1.00 3.43 O ATOM 0 H GLY A 6 11.868 -8.323 5.249 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.668 -8.910 7.809 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.260 -10.063 6.554 1.00 42.42 H new ATOM 71 N CYS A 7 12.483 -10.751 8.098 1.00 10.20 N ATOM 72 CA CYS A 7 13.715 -11.474 8.364 1.00 70.11 C ATOM 73 C CYS A 7 13.715 -12.799 7.616 1.00 4.44 C ATOM 74 O CYS A 7 12.691 -13.471 7.539 1.00 72.14 O ATOM 75 CB CYS A 7 13.862 -11.723 9.860 1.00 4.33 C ATOM 76 SG CYS A 7 13.517 -10.263 10.888 1.00 21.12 S ATOM 0 H CYS A 7 11.756 -10.888 8.800 1.00 10.20 H new ATOM 0 HA CYS A 7 14.557 -10.873 8.020 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.188 -12.528 10.152 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.876 -12.067 10.063 1.00 4.33 H new ATOM 81 N GLN A 8 14.856 -13.168 7.062 1.00 15.12 N ATOM 82 CA GLN A 8 14.955 -14.397 6.294 1.00 64.14 C ATOM 83 C GLN A 8 15.170 -15.601 7.209 1.00 64.22 C ATOM 84 O GLN A 8 15.228 -15.470 8.437 1.00 1.10 O ATOM 85 CB GLN A 8 16.093 -14.317 5.273 1.00 50.41 C ATOM 86 CG GLN A 8 17.464 -14.098 5.893 1.00 43.35 C ATOM 87 CD GLN A 8 18.606 -14.512 4.977 1.00 51.10 C ATOM 88 OE1 GLN A 8 18.406 -15.576 4.207 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 19.675 -13.898 4.988 1.00 23.50 N flip ATOM 0 H GLN A 8 15.724 -12.637 7.129 1.00 15.12 H new ATOM 0 HA GLN A 8 14.012 -14.524 5.762 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.111 -15.239 4.691 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.886 -13.505 4.576 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.576 -13.045 6.150 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.530 -14.662 6.823 1.00 43.35 H new ATOM 0 HE21 GLN A 8 19.790 -13.085 5.593 1.00 23.50 H new ATOM 0 HE22 GLN A 8 20.444 -14.203 4.392 1.00 23.50 H new ATOM 98 N ILE A 9 15.301 -16.772 6.601 1.00 54.54 N ATOM 99 CA ILE A 9 15.551 -17.991 7.347 1.00 64.42 C ATOM 100 C ILE A 9 17.050 -18.163 7.545 1.00 73.43 C ATOM 101 O ILE A 9 17.788 -18.488 6.612 1.00 71.43 O ATOM 102 CB ILE A 9 14.973 -19.237 6.636 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.453 -19.121 6.506 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.343 -20.509 7.389 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.807 -20.322 5.851 1.00 23.41 C ATOM 0 H ILE A 9 15.238 -16.900 5.591 1.00 54.54 H new ATOM 0 HA ILE A 9 15.050 -17.901 8.311 1.00 64.42 H new ATOM 0 HB ILE A 9 15.406 -19.291 5.637 1.00 54.42 H new ATOM 0 HG12 ILE A 9 13.022 -18.983 7.497 1.00 1.03 H new ATOM 0 HG13 ILE A 9 13.213 -18.229 5.927 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.926 -21.373 6.871 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.428 -20.602 7.435 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.940 -20.463 8.401 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.729 -20.169 5.793 1.00 23.41 H new ATOM 0 HD12 ILE A 9 13.210 -20.449 4.846 1.00 23.41 H new ATOM 0 HD13 ILE A 9 13.015 -21.214 6.441 1.00 23.41 H new ATOM 117 N ILE A 10 17.480 -17.896 8.764 1.00 1.44 N ATOM 118 CA ILE A 10 18.882 -17.959 9.142 1.00 53.14 C ATOM 119 C ILE A 10 19.377 -19.399 9.220 1.00 15.30 C ATOM 120 O ILE A 10 18.590 -20.343 9.153 1.00 44.43 O ATOM 121 CB ILE A 10 19.094 -17.295 10.513 1.00 44.30 C ATOM 122 CG1 ILE A 10 18.138 -17.920 11.534 1.00 13.24 C ATOM 123 CG2 ILE A 10 18.885 -15.789 10.418 1.00 25.05 C ATOM 124 CD1 ILE A 10 18.257 -17.352 12.926 1.00 42.33 C ATOM 0 H ILE A 10 16.861 -17.626 9.528 1.00 1.44 H new ATOM 0 HA ILE A 10 19.447 -17.431 8.374 1.00 53.14 H new ATOM 0 HB ILE A 10 20.120 -17.465 10.841 1.00 44.30 H new ATOM 0 HG12 ILE A 10 17.114 -17.785 11.186 1.00 13.24 H new ATOM 0 HG13 ILE A 10 18.321 -18.994 11.576 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.039 -15.338 11.398 1.00 25.05 H new ATOM 0 HG22 ILE A 10 19.596 -15.367 9.708 1.00 25.05 H new ATOM 0 HG23 ILE A 10 17.869 -15.583 10.080 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.545 -17.850 13.584 1.00 42.33 H new ATOM 0 HD12 ILE A 10 19.269 -17.511 13.299 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.043 -16.283 12.902 1.00 42.33 H new ATOM 136 N HIS A 11 20.685 -19.557 9.353 1.00 11.24 N ATOM 137 CA HIS A 11 21.272 -20.868 9.577 1.00 24.14 C ATOM 138 C HIS A 11 20.906 -21.365 10.972 1.00 73.03 C ATOM 139 O HIS A 11 20.942 -20.597 11.937 1.00 11.43 O ATOM 140 CB HIS A 11 22.806 -20.822 9.413 1.00 24.23 C ATOM 141 CG HIS A 11 23.547 -20.184 10.561 1.00 51.10 C ATOM 142 ND1 HIS A 11 24.387 -20.890 11.398 1.00 34.40 N ATOM 143 CD2 HIS A 11 23.576 -18.901 11.005 1.00 73.31 C ATOM 144 CE1 HIS A 11 24.897 -20.076 12.304 1.00 41.44 C ATOM 145 NE2 HIS A 11 24.423 -18.862 12.090 1.00 32.35 N ATOM 0 H HIS A 11 21.360 -18.793 9.310 1.00 11.24 H new ATOM 0 HA HIS A 11 20.874 -21.557 8.833 1.00 24.14 H new ATOM 0 HB2 HIS A 11 23.174 -21.840 9.283 1.00 24.23 H new ATOM 0 HB3 HIS A 11 23.043 -20.278 8.499 1.00 24.23 H new ATOM 0 HD2 HIS A 11 23.035 -18.066 10.585 1.00 73.31 H new ATOM 0 HE1 HIS A 11 25.585 -20.356 13.088 1.00 41.44 H new ATOM 0 HE2 HIS A 11 24.647 -18.032 12.638 1.00 32.35 H new ATOM 154 N PRO A 12 20.515 -22.637 11.095 1.00 62.10 N ATOM 155 CA PRO A 12 20.289 -23.258 12.399 1.00 31.33 C ATOM 156 C PRO A 12 21.560 -23.236 13.248 1.00 62.52 C ATOM 157 O PRO A 12 22.665 -23.366 12.715 1.00 11.24 O ATOM 158 CB PRO A 12 19.899 -24.700 12.056 1.00 52.40 C ATOM 159 CG PRO A 12 19.441 -24.651 10.639 1.00 51.45 C ATOM 160 CD PRO A 12 20.238 -23.560 9.984 1.00 4.22 C ATOM 0 HA PRO A 12 19.529 -22.737 12.981 1.00 31.33 H new ATOM 0 HB2 PRO A 12 20.746 -25.376 12.174 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.109 -25.062 12.714 1.00 52.40 H new ATOM 0 HG2 PRO A 12 19.606 -25.607 10.142 1.00 51.45 H new ATOM 0 HG3 PRO A 12 18.373 -24.442 10.581 1.00 51.45 H new ATOM 0 HD2 PRO A 12 21.157 -23.943 9.539 1.00 4.22 H new ATOM 0 HD3 PRO A 12 19.676 -23.074 9.186 1.00 4.22 H new ATOM 168 N PRO A 13 21.428 -23.051 14.567 1.00 72.42 N ATOM 169 CA PRO A 13 22.578 -23.013 15.476 1.00 11.03 C ATOM 170 C PRO A 13 23.191 -24.396 15.700 1.00 21.12 C ATOM 171 O PRO A 13 22.986 -25.320 14.908 1.00 10.42 O ATOM 172 CB PRO A 13 21.975 -22.478 16.776 1.00 63.12 C ATOM 173 CG PRO A 13 20.545 -22.886 16.729 1.00 12.24 C ATOM 174 CD PRO A 13 20.151 -22.858 15.278 1.00 11.22 C ATOM 0 HA PRO A 13 23.392 -22.405 15.082 1.00 11.03 H new ATOM 0 HB2 PRO A 13 22.478 -22.898 17.647 1.00 63.12 H new ATOM 0 HB3 PRO A 13 22.075 -21.395 16.842 1.00 63.12 H new ATOM 0 HG2 PRO A 13 20.410 -23.882 17.150 1.00 12.24 H new ATOM 0 HG3 PRO A 13 19.926 -22.206 17.314 1.00 12.24 H new ATOM 0 HD2 PRO A 13 19.437 -23.647 15.041 1.00 11.22 H new ATOM 0 HD3 PRO A 13 19.681 -21.912 15.008 1.00 11.22 H new ATOM 182 N TRP A 14 23.941 -24.530 16.786 1.00 13.53 N ATOM 183 CA TRP A 14 24.542 -25.803 17.150 1.00 55.11 C ATOM 184 C TRP A 14 23.448 -26.791 17.576 1.00 13.40 C ATOM 185 O TRP A 14 22.264 -26.468 17.478 1.00 31.14 O ATOM 186 CB TRP A 14 25.590 -25.608 18.249 1.00 53.25 C ATOM 187 CG TRP A 14 26.568 -26.743 18.333 1.00 30.52 C ATOM 188 CD1 TRP A 14 26.860 -27.496 19.433 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.368 -27.268 17.262 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.792 -28.452 19.114 1.00 11.25 N ATOM 191 CE2 TRP A 14 28.121 -28.333 17.791 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.521 -26.944 15.909 1.00 52.43 C ATOM 193 CZ2 TRP A 14 29.007 -29.076 17.018 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.408 -27.679 15.145 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.139 -28.735 15.701 1.00 71.42 C ATOM 0 H TRP A 14 24.147 -23.768 17.432 1.00 13.53 H new ATOM 0 HA TRP A 14 25.056 -26.220 16.284 1.00 55.11 H new ATOM 0 HB2 TRP A 14 26.133 -24.681 18.066 1.00 53.25 H new ATOM 0 HB3 TRP A 14 25.086 -25.498 19.209 1.00 53.25 H new ATOM 0 HD1 TRP A 14 26.422 -27.360 20.411 1.00 34.14 H new ATOM 0 HE1 TRP A 14 28.178 -29.141 19.760 1.00 11.25 H new ATOM 0 HE3 TRP A 14 26.956 -26.135 15.470 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.571 -29.893 17.443 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 28.539 -27.434 14.101 1.00 24.33 H new ATOM 0 HH2 TRP A 14 29.822 -29.292 15.076 1.00 71.42 H new ATOM 206 N GLU A 15 23.856 -27.987 18.022 1.00 44.34 N ATOM 207 CA GLU A 15 22.941 -29.098 18.321 1.00 22.34 C ATOM 208 C GLU A 15 21.638 -28.630 18.961 1.00 24.33 C ATOM 209 O GLU A 15 21.580 -28.337 20.155 1.00 3.10 O ATOM 210 CB GLU A 15 23.613 -30.100 19.262 1.00 35.12 C ATOM 211 CG GLU A 15 24.925 -30.656 18.741 1.00 53.31 C ATOM 212 CD GLU A 15 24.787 -31.327 17.390 1.00 41.30 C ATOM 213 OE1 GLU A 15 23.864 -32.155 17.218 1.00 63.35 O ATOM 214 OE2 GLU A 15 25.618 -31.051 16.505 1.00 74.13 O1- ATOM 0 H GLU A 15 24.837 -28.213 18.187 1.00 44.34 H new ATOM 0 HA GLU A 15 22.703 -29.566 17.366 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.792 -29.617 20.222 1.00 35.12 H new ATOM 0 HB3 GLU A 15 22.927 -30.927 19.444 1.00 35.12 H new ATOM 0 HG2 GLU A 15 25.652 -29.847 18.667 1.00 53.31 H new ATOM 0 HG3 GLU A 15 25.320 -31.375 19.459 1.00 53.31 H new ATOM 221 N GLY A 16 20.601 -28.552 18.142 1.00 71.54 N ATOM 222 CA GLY A 16 19.311 -28.107 18.606 1.00 11.25 C ATOM 223 C GLY A 16 18.408 -27.721 17.457 1.00 0.41 C ATOM 224 O GLY A 16 18.292 -28.458 16.478 1.00 33.22 O ATOM 0 H GLY A 16 20.635 -28.793 17.152 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.841 -28.899 19.189 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.438 -27.254 19.272 1.00 11.25 H new ATOM 228 N GLY A 17 17.779 -26.569 17.571 1.00 23.54 N ATOM 229 CA GLY A 17 16.916 -26.086 16.518 1.00 23.21 C ATOM 230 C GLY A 17 16.314 -24.747 16.867 1.00 4.21 C ATOM 231 O GLY A 17 16.752 -24.092 17.813 1.00 73.45 O ATOM 0 H GLY A 17 17.850 -25.953 18.381 1.00 23.54 H new ATOM 0 HA2 GLY A 17 17.484 -26.001 15.591 1.00 23.21 H new ATOM 0 HA3 GLY A 17 16.120 -26.808 16.339 1.00 23.21 H new ATOM 235 N ILE A 18 15.302 -24.341 16.120 1.00 13.11 N ATOM 236 CA ILE A 18 14.646 -23.073 16.369 1.00 4.12 C ATOM 237 C ILE A 18 13.146 -23.247 16.490 1.00 21.53 C ATOM 238 O ILE A 18 12.503 -23.881 15.653 1.00 64.33 O ATOM 239 CB ILE A 18 14.982 -22.025 15.286 1.00 60.43 C ATOM 240 CG1 ILE A 18 16.363 -21.449 15.573 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.931 -20.915 15.234 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.799 -20.378 14.597 1.00 70.34 C ATOM 0 H ILE A 18 14.918 -24.871 15.338 1.00 13.11 H new ATOM 0 HA ILE A 18 15.029 -22.700 17.319 1.00 4.12 H new ATOM 0 HB ILE A 18 14.980 -22.510 14.310 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.369 -21.032 16.580 1.00 33.34 H new ATOM 0 HG13 ILE A 18 17.093 -22.258 15.558 1.00 33.34 H new ATOM 0 HG21 ILE A 18 14.200 -20.195 14.461 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.957 -21.347 15.005 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.886 -20.411 16.199 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.792 -20.019 14.870 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.827 -20.793 13.590 1.00 70.34 H new ATOM 0 HD13 ILE A 18 16.093 -19.549 14.628 1.00 70.34 H new ATOM 254 N ARG A 19 12.609 -22.684 17.554 1.00 44.43 N ATOM 255 CA ARG A 19 11.194 -22.743 17.825 1.00 12.34 C ATOM 256 C ARG A 19 10.535 -21.471 17.324 1.00 54.31 C ATOM 257 O ARG A 19 11.060 -20.376 17.525 1.00 14.40 O ATOM 258 CB ARG A 19 10.967 -22.900 19.326 1.00 21.13 C ATOM 259 CG ARG A 19 9.569 -23.382 19.685 1.00 74.22 C ATOM 260 CD ARG A 19 9.280 -24.747 19.079 1.00 2.13 C ATOM 261 NE ARG A 19 7.886 -25.147 19.269 1.00 34.34 N ATOM 262 CZ ARG A 19 7.344 -26.237 18.721 1.00 15.24 C ATOM 263 NH1 ARG A 19 8.098 -27.094 18.048 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 6.052 -26.496 18.881 1.00 45.00 N ATOM 0 H ARG A 19 13.146 -22.173 18.254 1.00 44.43 H new ATOM 0 HA ARG A 19 10.755 -23.599 17.312 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.698 -23.604 19.724 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.148 -21.943 19.814 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.468 -23.435 20.769 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.832 -22.661 19.331 1.00 74.22 H new ATOM 0 HD2 ARG A 19 9.509 -24.727 18.014 1.00 2.13 H new ATOM 0 HD3 ARG A 19 9.936 -25.491 19.532 1.00 2.13 H new ATOM 0 HE ARG A 19 7.293 -24.559 19.855 1.00 34.34 H new ATOM 0 HH11 ARG A 19 9.098 -26.923 17.946 1.00 45.21 H new ATOM 0 HH12 ARG A 19 7.678 -27.925 17.632 1.00 45.21 H new ATOM 0 HH21 ARG A 19 5.468 -25.861 19.425 1.00 45.00 H new ATOM 0 HH22 ARG A 19 5.643 -27.330 18.460 1.00 45.00 H new ATOM 278 N TYR A 20 9.408 -21.610 16.654 1.00 74.35 N ATOM 279 CA TYR A 20 8.714 -20.454 16.118 1.00 40.55 C ATOM 280 C TYR A 20 7.665 -19.953 17.104 1.00 34.25 C ATOM 281 O TYR A 20 7.596 -20.429 18.237 1.00 72.21 O ATOM 282 CB TYR A 20 8.098 -20.799 14.765 1.00 12.44 C ATOM 283 CG TYR A 20 9.136 -21.111 13.708 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.479 -22.421 13.406 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.785 -20.089 13.024 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.438 -22.706 12.452 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.745 -20.366 12.066 1.00 52.11 C ATOM 288 CZ TYR A 20 11.067 -21.677 11.785 1.00 34.52 C ATOM 289 OH TYR A 20 12.023 -21.963 10.831 1.00 22.43 O ATOM 0 H TYR A 20 8.955 -22.505 16.468 1.00 74.35 H new ATOM 0 HA TYR A 20 9.429 -19.645 15.967 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.436 -21.657 14.881 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.483 -19.965 14.428 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.989 -23.231 13.925 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.536 -19.061 13.244 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.693 -23.732 12.230 1.00 54.01 H new ATOM 0 HE2 TYR A 20 11.238 -19.561 11.542 1.00 52.11 H new ATOM 0 HH TYR A 20 12.369 -21.127 10.454 1.00 22.43 H new ATOM 299 N ARG A 21 6.839 -19.017 16.669 1.00 4.04 N ATOM 300 CA ARG A 21 5.939 -18.319 17.575 1.00 43.13 C ATOM 301 C ARG A 21 4.503 -18.790 17.384 1.00 4.10 C ATOM 302 O ARG A 21 3.986 -19.571 18.181 1.00 52.41 O ATOM 303 CB ARG A 21 6.046 -16.812 17.332 1.00 74.30 C ATOM 304 CG ARG A 21 5.391 -15.944 18.392 1.00 52.33 C ATOM 305 CD ARG A 21 5.498 -14.479 18.006 1.00 1.31 C ATOM 306 NE ARG A 21 5.080 -13.575 19.071 1.00 72.30 N ATOM 307 CZ ARG A 21 4.517 -12.387 18.849 1.00 63.53 C ATOM 308 NH1 ARG A 21 4.181 -12.028 17.614 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 4.262 -11.570 19.861 1.00 24.04 N ATOM 0 H ARG A 21 6.772 -18.722 15.695 1.00 4.04 H new ATOM 0 HA ARG A 21 6.227 -18.541 18.602 1.00 43.13 H new ATOM 0 HB2 ARG A 21 7.100 -16.544 17.265 1.00 74.30 H new ATOM 0 HB3 ARG A 21 5.596 -16.582 16.366 1.00 74.30 H new ATOM 0 HG2 ARG A 21 4.343 -16.223 18.505 1.00 52.33 H new ATOM 0 HG3 ARG A 21 5.871 -16.110 19.357 1.00 52.33 H new ATOM 0 HD2 ARG A 21 6.529 -14.256 17.732 1.00 1.31 H new ATOM 0 HD3 ARG A 21 4.887 -14.297 17.122 1.00 1.31 H new ATOM 0 HE ARG A 21 5.226 -13.867 20.037 1.00 72.30 H new ATOM 0 HH11 ARG A 21 4.354 -12.662 16.834 1.00 42.32 H new ATOM 0 HH12 ARG A 21 3.750 -11.119 17.447 1.00 42.32 H new ATOM 0 HH21 ARG A 21 4.497 -11.849 20.814 1.00 24.04 H new ATOM 0 HH22 ARG A 21 3.831 -10.662 19.687 1.00 24.04 H new ATOM 323 N GLY A 22 3.881 -18.330 16.306 1.00 11.55 N ATOM 324 CA GLY A 22 2.498 -18.667 16.040 1.00 50.05 C ATOM 325 C GLY A 22 2.348 -19.517 14.796 1.00 71.12 C ATOM 326 O GLY A 22 1.468 -19.274 13.971 1.00 54.54 O ATOM 0 H GLY A 22 4.314 -17.726 15.608 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.084 -19.201 16.895 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.918 -17.751 15.925 1.00 50.05 H new ATOM 330 N LEU A 23 3.221 -20.504 14.656 1.00 51.01 N ATOM 331 CA LEU A 23 3.167 -21.423 13.529 1.00 52.44 C ATOM 332 C LEU A 23 3.315 -22.857 14.012 1.00 5.12 C ATOM 333 O LEU A 23 4.033 -23.124 14.979 1.00 0.51 O ATOM 334 CB LEU A 23 4.262 -21.105 12.500 1.00 44.13 C ATOM 335 CG LEU A 23 4.045 -19.835 11.672 1.00 45.22 C ATOM 336 CD1 LEU A 23 5.257 -19.562 10.794 1.00 34.31 C ATOM 337 CD2 LEU A 23 2.792 -19.964 10.816 1.00 3.33 C ATOM 0 H LEU A 23 3.979 -20.689 15.313 1.00 51.01 H new ATOM 0 HA LEU A 23 2.197 -21.303 13.046 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.213 -21.017 13.024 1.00 44.13 H new ATOM 0 HB3 LEU A 23 4.351 -21.951 11.818 1.00 44.13 H new ATOM 0 HG LEU A 23 3.913 -18.996 12.356 1.00 45.22 H new ATOM 0 HD11 LEU A 23 5.088 -18.656 10.212 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.139 -19.431 11.421 1.00 34.31 H new ATOM 0 HD13 LEU A 23 5.414 -20.403 10.119 1.00 34.31 H new ATOM 0 HD21 LEU A 23 2.653 -19.053 10.234 1.00 3.33 H new ATOM 0 HD22 LEU A 23 2.899 -20.813 10.141 1.00 3.33 H new ATOM 0 HD23 LEU A 23 1.926 -20.119 11.460 1.00 3.33 H new ATOM 349 N THR A 24 2.618 -23.765 13.355 1.00 45.31 N ATOM 350 CA THR A 24 2.730 -25.182 13.654 1.00 75.32 C ATOM 351 C THR A 24 3.705 -25.841 12.681 1.00 64.12 C ATOM 352 O THR A 24 4.193 -25.188 11.751 1.00 23.12 O ATOM 353 CB THR A 24 1.347 -25.876 13.582 1.00 73.21 C ATOM 354 OG1 THR A 24 1.452 -27.252 13.968 1.00 0.00 O ATOM 355 CG2 THR A 24 0.755 -25.779 12.180 1.00 12.52 C ATOM 0 H THR A 24 1.963 -23.545 12.605 1.00 45.31 H new ATOM 0 HA THR A 24 3.109 -25.292 14.670 1.00 75.32 H new ATOM 0 HB THR A 24 0.683 -25.360 14.276 1.00 73.21 H new ATOM 0 HG1 THR A 24 0.569 -27.674 13.918 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.216 -26.275 12.160 1.00 12.52 H new ATOM 0 HG22 THR A 24 0.633 -24.730 11.908 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.424 -26.262 11.468 1.00 12.52 H new ATOM 363 N ARG A 25 3.994 -27.123 12.890 1.00 3.14 N ATOM 364 CA ARG A 25 4.913 -27.847 12.020 1.00 73.32 C ATOM 365 C ARG A 25 4.252 -28.169 10.679 1.00 50.00 C ATOM 366 O ARG A 25 3.144 -27.696 10.401 1.00 5.42 O ATOM 367 CB ARG A 25 5.400 -29.132 12.700 1.00 33.05 C ATOM 368 CG ARG A 25 4.294 -30.127 13.011 1.00 24.32 C ATOM 369 CD ARG A 25 4.843 -31.375 13.682 1.00 10.33 C ATOM 370 NE ARG A 25 3.807 -32.386 13.895 1.00 33.14 N ATOM 371 CZ ARG A 25 4.060 -33.663 14.180 1.00 2.41 C ATOM 372 NH1 ARG A 25 5.308 -34.062 14.397 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 3.061 -34.530 14.289 1.00 62.54 N ATOM 0 H ARG A 25 3.606 -27.679 13.652 1.00 3.14 H new ATOM 0 HA ARG A 25 5.775 -27.208 11.831 1.00 73.32 H new ATOM 0 HB2 ARG A 25 6.137 -29.614 12.057 1.00 33.05 H new ATOM 0 HB3 ARG A 25 5.909 -28.869 13.627 1.00 33.05 H new ATOM 0 HG2 ARG A 25 3.554 -29.659 13.660 1.00 24.32 H new ATOM 0 HG3 ARG A 25 3.781 -30.403 12.090 1.00 24.32 H new ATOM 0 HD2 ARG A 25 5.639 -31.796 13.068 1.00 10.33 H new ATOM 0 HD3 ARG A 25 5.288 -31.105 14.640 1.00 10.33 H new ATOM 0 HE ARG A 25 2.832 -32.096 13.821 1.00 33.14 H new ATOM 0 HH11 ARG A 25 6.074 -33.391 14.346 1.00 13.30 H new ATOM 0 HH12 ARG A 25 5.500 -35.040 14.615 1.00 13.30 H new ATOM 0 HH21 ARG A 25 2.099 -34.219 14.155 1.00 62.54 H new ATOM 0 HH22 ARG A 25 3.255 -35.507 14.507 1.00 62.54 H new ATOM 387 N ASP A 26 4.940 -28.969 9.852 1.00 11.55 N ATOM 388 CA ASP A 26 4.481 -29.294 8.489 1.00 13.41 C ATOM 389 C ASP A 26 4.571 -28.050 7.596 1.00 2.54 C ATOM 390 O ASP A 26 4.302 -28.087 6.393 1.00 54.04 O ATOM 391 CB ASP A 26 3.051 -29.865 8.514 1.00 51.21 C ATOM 392 CG ASP A 26 2.555 -30.315 7.152 1.00 14.41 C ATOM 393 OD1 ASP A 26 2.927 -31.423 6.712 1.00 15.50 O ATOM 394 OD2 ASP A 26 1.774 -29.571 6.525 1.00 15.44 O1- ATOM 0 H ASP A 26 5.825 -29.408 10.105 1.00 11.55 H new ATOM 0 HA ASP A 26 5.131 -30.063 8.072 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.018 -30.710 9.201 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.373 -29.108 8.907 1.00 51.21 H new ATOM 399 N GLN A 27 4.982 -26.954 8.212 1.00 2.23 N ATOM 400 CA GLN A 27 5.170 -25.681 7.544 1.00 4.51 C ATOM 401 C GLN A 27 6.627 -25.265 7.697 1.00 2.23 C ATOM 402 O GLN A 27 7.485 -26.128 7.887 1.00 21.25 O ATOM 403 CB GLN A 27 4.242 -24.635 8.161 1.00 41.02 C ATOM 404 CG GLN A 27 2.764 -24.936 7.951 1.00 12.33 C ATOM 405 CD GLN A 27 1.848 -24.013 8.730 1.00 33.35 C ATOM 406 OE1 GLN A 27 2.280 -23.595 9.910 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 0.745 -23.701 8.284 1.00 42.30 N flip ATOM 0 H GLN A 27 5.198 -26.926 9.209 1.00 2.23 H new ATOM 0 HA GLN A 27 4.929 -25.768 6.485 1.00 4.51 H new ATOM 0 HB2 GLN A 27 4.443 -24.568 9.230 1.00 41.02 H new ATOM 0 HB3 GLN A 27 4.471 -23.659 7.732 1.00 41.02 H new ATOM 0 HG2 GLN A 27 2.531 -24.856 6.889 1.00 12.33 H new ATOM 0 HG3 GLN A 27 2.565 -25.967 8.244 1.00 12.33 H new ATOM 0 HE21 GLN A 27 0.449 -24.044 7.370 1.00 42.30 H new ATOM 0 HE22 GLN A 27 0.127 -23.099 8.828 1.00 42.30 H new ATOM 416 N VAL A 28 6.894 -23.956 7.592 1.00 40.51 N ATOM 417 CA VAL A 28 8.237 -23.373 7.791 1.00 21.23 C ATOM 418 C VAL A 28 9.320 -24.135 7.022 1.00 20.45 C ATOM 419 O VAL A 28 10.498 -24.113 7.378 1.00 35.23 O ATOM 420 CB VAL A 28 8.620 -23.260 9.295 1.00 75.00 C ATOM 421 CG1 VAL A 28 7.545 -22.497 10.056 1.00 3.34 C ATOM 422 CG2 VAL A 28 8.875 -24.622 9.943 1.00 12.44 C ATOM 0 H VAL A 28 6.181 -23.263 7.365 1.00 40.51 H new ATOM 0 HA VAL A 28 8.182 -22.363 7.385 1.00 21.23 H new ATOM 0 HB VAL A 28 9.559 -22.708 9.346 1.00 75.00 H new ATOM 0 HG11 VAL A 28 7.825 -22.425 11.107 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.445 -21.495 9.638 1.00 3.34 H new ATOM 0 HG13 VAL A 28 6.595 -23.023 9.969 1.00 3.34 H new ATOM 0 HG21 VAL A 28 9.138 -24.483 10.992 1.00 12.44 H new ATOM 0 HG22 VAL A 28 7.975 -25.233 9.873 1.00 12.44 H new ATOM 0 HG23 VAL A 28 9.694 -25.123 9.427 1.00 12.44 H new ATOM 432 N LYS A 29 8.909 -24.755 5.928 1.00 1.44 N ATOM 433 CA LYS A 29 9.791 -25.592 5.132 1.00 53.22 C ATOM 434 C LYS A 29 10.433 -24.778 4.016 1.00 71.12 C ATOM 435 O LYS A 29 11.490 -25.138 3.497 1.00 33.02 O ATOM 436 CB LYS A 29 9.002 -26.783 4.576 1.00 54.41 C ATOM 437 CG LYS A 29 7.673 -26.395 3.943 1.00 70.52 C ATOM 438 CD LYS A 29 6.700 -27.563 3.923 1.00 33.02 C ATOM 439 CE LYS A 29 5.342 -27.144 3.381 1.00 11.13 C ATOM 440 NZ LYS A 29 4.312 -28.203 3.564 1.00 21.55 N1+ ATOM 0 H LYS A 29 7.957 -24.692 5.568 1.00 1.44 H new ATOM 0 HA LYS A 29 10.595 -25.975 5.761 1.00 53.22 H new ATOM 0 HB2 LYS A 29 9.612 -27.296 3.833 1.00 54.41 H new ATOM 0 HB3 LYS A 29 8.817 -27.493 5.382 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.234 -25.565 4.497 1.00 70.52 H new ATOM 0 HG3 LYS A 29 7.843 -26.045 2.925 1.00 70.52 H new ATOM 0 HD2 LYS A 29 7.106 -28.367 3.309 1.00 33.02 H new ATOM 0 HD3 LYS A 29 6.584 -27.960 4.932 1.00 33.02 H new ATOM 0 HE2 LYS A 29 5.017 -26.233 3.884 1.00 11.13 H new ATOM 0 HE3 LYS A 29 5.433 -26.908 2.321 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 3.431 -27.916 3.091 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 4.653 -29.094 3.150 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 4.131 -28.340 4.579 1.00 21.55 H new ATOM 454 N ALA A 30 9.786 -23.673 3.660 1.00 52.32 N ATOM 455 CA ALA A 30 10.325 -22.747 2.677 1.00 14.13 C ATOM 456 C ALA A 30 9.660 -21.383 2.802 1.00 61.32 C ATOM 457 O ALA A 30 8.714 -21.072 2.082 1.00 75.11 O ATOM 458 CB ALA A 30 10.160 -23.295 1.268 1.00 4.23 C ATOM 0 H ALA A 30 8.881 -23.398 4.042 1.00 52.32 H new ATOM 0 HA ALA A 30 11.391 -22.629 2.873 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.571 -22.584 0.551 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.689 -24.244 1.182 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.101 -23.450 1.060 1.00 4.23 H new ATOM 464 N ILE A 31 10.139 -20.592 3.751 1.00 25.12 N ATOM 465 CA ILE A 31 9.628 -19.245 3.969 1.00 40.14 C ATOM 466 C ILE A 31 10.611 -18.228 3.398 1.00 74.23 C ATOM 467 O ILE A 31 11.818 -18.463 3.404 1.00 4.24 O ATOM 468 CB ILE A 31 9.420 -18.961 5.479 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.523 -20.030 6.110 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.818 -17.577 5.695 1.00 41.23 C ATOM 471 CD1 ILE A 31 8.272 -19.815 7.587 1.00 3.32 C ATOM 0 H ILE A 31 10.888 -20.863 4.388 1.00 25.12 H new ATOM 0 HA ILE A 31 8.665 -19.162 3.466 1.00 40.14 H new ATOM 0 HB ILE A 31 10.396 -18.992 5.964 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.567 -20.046 5.586 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.982 -21.008 5.966 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.682 -17.402 6.762 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.488 -16.821 5.286 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.853 -17.517 5.192 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.629 -20.610 7.966 1.00 3.32 H new ATOM 0 HD12 ILE A 31 9.221 -19.829 8.123 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.785 -18.852 7.737 1.00 3.32 H new ATOM 483 N ASN A 32 10.101 -17.117 2.892 1.00 72.34 N ATOM 484 CA ASN A 32 10.962 -16.064 2.376 1.00 15.12 C ATOM 485 C ASN A 32 11.393 -15.146 3.506 1.00 73.04 C ATOM 486 O ASN A 32 12.565 -15.123 3.887 1.00 13.03 O ATOM 487 CB ASN A 32 10.258 -15.255 1.282 1.00 71.30 C ATOM 488 CG ASN A 32 10.037 -16.054 0.012 1.00 3.15 C ATOM 489 OD1 ASN A 32 10.805 -16.960 -0.307 1.00 51.12 O ATOM 490 ND2 ASN A 32 8.990 -15.722 -0.725 1.00 22.03 N ATOM 0 H ASN A 32 9.102 -16.921 2.827 1.00 72.34 H new ATOM 0 HA ASN A 32 11.842 -16.533 1.935 1.00 15.12 H new ATOM 0 HB2 ASN A 32 9.297 -14.904 1.657 1.00 71.30 H new ATOM 0 HB3 ASN A 32 10.852 -14.371 1.051 1.00 71.30 H new ATOM 0 HD21 ASN A 32 8.797 -16.224 -1.592 1.00 22.03 H new ATOM 0 HD22 ASN A 32 8.376 -14.964 -0.427 1.00 22.03 H new ATOM 497 N PHE A 33 10.436 -14.404 4.051 1.00 4.32 N ATOM 498 CA PHE A 33 10.709 -13.476 5.136 1.00 60.13 C ATOM 499 C PHE A 33 9.633 -13.577 6.214 1.00 71.25 C ATOM 500 O PHE A 33 8.465 -13.828 5.919 1.00 43.02 O ATOM 501 CB PHE A 33 10.777 -12.039 4.605 1.00 25.12 C ATOM 502 CG PHE A 33 11.815 -11.830 3.540 1.00 51.52 C ATOM 503 CD1 PHE A 33 11.441 -11.644 2.219 1.00 50.10 C ATOM 504 CD2 PHE A 33 13.165 -11.822 3.855 1.00 1.10 C ATOM 505 CE1 PHE A 33 12.390 -11.453 1.233 1.00 3.21 C ATOM 506 CE2 PHE A 33 14.121 -11.632 2.874 1.00 62.54 C ATOM 507 CZ PHE A 33 13.732 -11.448 1.562 1.00 65.33 C ATOM 0 H PHE A 33 9.460 -14.429 3.756 1.00 4.32 H new ATOM 0 HA PHE A 33 11.671 -13.740 5.574 1.00 60.13 H new ATOM 0 HB2 PHE A 33 9.801 -11.764 4.206 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.983 -11.365 5.436 1.00 25.12 H new ATOM 0 HD1 PHE A 33 10.393 -11.648 1.956 1.00 50.10 H new ATOM 0 HD2 PHE A 33 13.474 -11.966 4.880 1.00 1.10 H new ATOM 0 HE1 PHE A 33 12.084 -11.308 0.208 1.00 3.21 H new ATOM 0 HE2 PHE A 33 15.169 -11.628 3.133 1.00 62.54 H new ATOM 0 HZ PHE A 33 14.476 -11.300 0.793 1.00 65.33 H new ATOM 517 N LEU A 34 10.035 -13.393 7.459 1.00 45.21 N ATOM 518 CA LEU A 34 9.099 -13.374 8.574 1.00 44.33 C ATOM 519 C LEU A 34 8.652 -11.941 8.848 1.00 61.32 C ATOM 520 O LEU A 34 9.446 -11.013 8.728 1.00 5.11 O ATOM 521 CB LEU A 34 9.734 -13.976 9.840 1.00 2.10 C ATOM 522 CG LEU A 34 9.877 -15.506 9.870 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.541 -16.179 9.594 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.930 -15.986 8.884 1.00 73.11 C ATOM 0 H LEU A 34 11.009 -13.254 7.726 1.00 45.21 H new ATOM 0 HA LEU A 34 8.234 -13.981 8.306 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.724 -13.538 9.968 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.137 -13.671 10.700 1.00 2.10 H new ATOM 0 HG LEU A 34 10.205 -15.786 10.871 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.667 -17.261 9.620 1.00 10.42 H new ATOM 0 HD12 LEU A 34 7.819 -15.879 10.353 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.179 -15.880 8.610 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.005 -17.072 8.932 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.647 -15.686 7.875 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.894 -15.544 9.137 1.00 73.11 H new ATOM 536 N PRO A 35 7.376 -11.740 9.207 1.00 32.22 N ATOM 537 CA PRO A 35 6.825 -10.402 9.468 1.00 5.03 C ATOM 538 C PRO A 35 7.497 -9.698 10.647 1.00 10.23 C ATOM 539 O PRO A 35 7.912 -10.345 11.616 1.00 63.24 O ATOM 540 CB PRO A 35 5.352 -10.674 9.791 1.00 22.10 C ATOM 541 CG PRO A 35 5.301 -12.108 10.191 1.00 24.21 C ATOM 542 CD PRO A 35 6.364 -12.793 9.383 1.00 34.40 C ATOM 0 HA PRO A 35 6.980 -9.739 8.617 1.00 5.03 H new ATOM 0 HB2 PRO A 35 4.999 -10.028 10.595 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.717 -10.483 8.926 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.486 -12.223 11.259 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.319 -12.536 9.989 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.770 -13.660 9.903 1.00 34.40 H new ATOM 0 HD3 PRO A 35 5.979 -13.147 8.427 1.00 34.40 H new ATOM 550 N VAL A 36 7.594 -8.372 10.558 1.00 60.55 N ATOM 551 CA VAL A 36 8.166 -7.564 11.629 1.00 53.33 C ATOM 552 C VAL A 36 7.227 -7.538 12.843 1.00 1.10 C ATOM 553 O VAL A 36 6.447 -6.603 13.051 1.00 72.31 O ATOM 554 CB VAL A 36 8.515 -6.128 11.143 1.00 4.21 C ATOM 555 CG1 VAL A 36 7.308 -5.431 10.529 1.00 64.12 C ATOM 556 CG2 VAL A 36 9.104 -5.295 12.275 1.00 25.11 C ATOM 0 H VAL A 36 7.281 -7.834 9.750 1.00 60.55 H new ATOM 0 HA VAL A 36 9.103 -8.028 11.937 1.00 53.33 H new ATOM 0 HB VAL A 36 9.270 -6.225 10.362 1.00 4.21 H new ATOM 0 HG11 VAL A 36 7.593 -4.431 10.202 1.00 64.12 H new ATOM 0 HG12 VAL A 36 6.953 -6.005 9.673 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.514 -5.357 11.272 1.00 64.12 H new ATOM 0 HG21 VAL A 36 9.339 -4.296 11.908 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.381 -5.222 13.087 1.00 25.11 H new ATOM 0 HG23 VAL A 36 10.014 -5.770 12.641 1.00 25.11 H new ATOM 566 N ASP A 37 7.307 -8.608 13.622 1.00 75.53 N ATOM 567 CA ASP A 37 6.434 -8.841 14.771 1.00 0.24 C ATOM 568 C ASP A 37 6.699 -10.235 15.310 1.00 61.43 C ATOM 569 O ASP A 37 6.533 -10.508 16.496 1.00 74.15 O ATOM 570 CB ASP A 37 4.957 -8.723 14.372 1.00 1.03 C ATOM 571 CG ASP A 37 4.012 -8.885 15.546 1.00 73.54 C ATOM 572 OD1 ASP A 37 3.420 -9.973 15.698 1.00 11.24 O ATOM 573 OD2 ASP A 37 3.845 -7.913 16.320 1.00 24.30 O1- ATOM 0 H ASP A 37 7.989 -9.351 13.474 1.00 75.53 H new ATOM 0 HA ASP A 37 6.644 -8.090 15.532 1.00 0.24 H new ATOM 0 HB2 ASP A 37 4.788 -7.751 13.908 1.00 1.03 H new ATOM 0 HB3 ASP A 37 4.728 -9.479 13.621 1.00 1.03 H new ATOM 578 N TYR A 38 7.137 -11.105 14.409 1.00 64.13 N ATOM 579 CA TYR A 38 7.364 -12.503 14.730 1.00 64.04 C ATOM 580 C TYR A 38 8.604 -12.674 15.609 1.00 13.41 C ATOM 581 O TYR A 38 9.600 -11.971 15.434 1.00 72.14 O ATOM 582 CB TYR A 38 7.520 -13.300 13.434 1.00 31.23 C ATOM 583 CG TYR A 38 7.131 -14.750 13.569 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.079 -15.728 13.839 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.805 -15.137 13.434 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.712 -17.051 13.972 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.432 -16.457 13.562 1.00 74.11 C ATOM 588 CZ TYR A 38 6.386 -17.408 13.832 1.00 52.12 C ATOM 589 OH TYR A 38 6.013 -18.721 13.972 1.00 52.04 O ATOM 0 H TYR A 38 7.343 -10.860 13.440 1.00 64.13 H new ATOM 0 HA TYR A 38 6.507 -12.877 15.290 1.00 64.04 H new ATOM 0 HB2 TYR A 38 6.909 -12.839 12.658 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.556 -13.240 13.102 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.117 -15.449 13.946 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.053 -14.391 13.225 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.458 -17.803 14.184 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.396 -16.742 13.451 1.00 74.11 H new ATOM 0 HH TYR A 38 5.047 -18.772 14.132 1.00 52.04 H new ATOM 599 N GLU A 39 8.529 -13.612 16.547 1.00 24.42 N ATOM 600 CA GLU A 39 9.634 -13.898 17.454 1.00 12.31 C ATOM 601 C GLU A 39 10.004 -15.380 17.374 1.00 14.54 C ATOM 602 O GLU A 39 9.163 -16.210 17.023 1.00 3.41 O ATOM 603 CB GLU A 39 9.254 -13.539 18.894 1.00 45.13 C ATOM 604 CG GLU A 39 8.783 -12.101 19.070 1.00 72.52 C ATOM 605 CD GLU A 39 8.421 -11.780 20.505 1.00 31.14 C ATOM 606 OE1 GLU A 39 7.648 -12.548 21.113 1.00 5.53 O ATOM 607 OE2 GLU A 39 8.897 -10.750 21.032 1.00 51.15 O1- ATOM 0 H GLU A 39 7.705 -14.193 16.699 1.00 24.42 H new ATOM 0 HA GLU A 39 10.491 -13.294 17.156 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.465 -14.212 19.230 1.00 45.13 H new ATOM 0 HB3 GLU A 39 10.115 -13.710 19.540 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.567 -11.422 18.736 1.00 72.52 H new ATOM 0 HG3 GLU A 39 7.917 -11.925 18.432 1.00 72.52 H new ATOM 614 N ILE A 40 11.255 -15.707 17.683 1.00 4.54 N ATOM 615 CA ILE A 40 11.710 -17.099 17.671 1.00 42.33 C ATOM 616 C ILE A 40 12.361 -17.485 18.998 1.00 75.11 C ATOM 617 O ILE A 40 12.698 -16.619 19.812 1.00 0.45 O ATOM 618 CB ILE A 40 12.717 -17.376 16.531 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.921 -16.436 16.634 1.00 63.20 C ATOM 620 CG2 ILE A 40 12.044 -17.238 15.177 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.995 -16.707 15.604 1.00 11.34 C ATOM 0 H ILE A 40 11.973 -15.031 17.945 1.00 4.54 H new ATOM 0 HA ILE A 40 10.817 -17.703 17.509 1.00 42.33 H new ATOM 0 HB ILE A 40 13.074 -18.401 16.632 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.578 -15.407 16.526 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.355 -16.524 17.630 1.00 63.20 H new ATOM 0 HG21 ILE A 40 12.769 -17.437 14.388 1.00 63.11 H new ATOM 0 HG22 ILE A 40 11.224 -17.952 15.104 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.655 -16.226 15.065 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.815 -16.002 15.739 1.00 11.34 H new ATOM 0 HD12 ILE A 40 15.367 -17.724 15.725 1.00 11.34 H new ATOM 0 HD13 ILE A 40 14.578 -16.590 14.604 1.00 11.34 H new ATOM 633 N GLU A 41 12.538 -18.785 19.202 1.00 61.12 N ATOM 634 CA GLU A 41 13.165 -19.309 20.406 1.00 13.03 C ATOM 635 C GLU A 41 14.257 -20.320 20.039 1.00 60.15 C ATOM 636 O GLU A 41 14.152 -21.025 19.035 1.00 54.15 O ATOM 637 CB GLU A 41 12.106 -19.962 21.307 1.00 74.33 C ATOM 638 CG GLU A 41 12.663 -20.542 22.598 1.00 15.40 C ATOM 639 CD GLU A 41 11.581 -21.072 23.516 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.177 -20.343 24.442 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.138 -22.222 23.321 1.00 65.45 O1- ATOM 0 H GLU A 41 12.251 -19.503 18.537 1.00 61.12 H new ATOM 0 HA GLU A 41 13.628 -18.487 20.951 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.346 -19.220 21.552 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.609 -20.756 20.749 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.358 -21.347 22.360 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.233 -19.774 23.121 1.00 15.40 H new ATOM 648 N TYR A 42 15.305 -20.376 20.854 1.00 75.13 N ATOM 649 CA TYR A 42 16.419 -21.291 20.623 1.00 70.02 C ATOM 650 C TYR A 42 16.228 -22.583 21.413 1.00 70.13 C ATOM 651 O TYR A 42 16.434 -22.609 22.626 1.00 31.24 O ATOM 652 CB TYR A 42 17.747 -20.647 21.027 1.00 71.13 C ATOM 653 CG TYR A 42 18.098 -19.391 20.255 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.736 -19.462 19.024 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.807 -18.136 20.771 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.077 -18.316 18.329 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.139 -16.987 20.079 1.00 60.14 C ATOM 658 CZ TYR A 42 18.776 -17.083 18.861 1.00 71.20 C ATOM 659 OH TYR A 42 19.120 -15.938 18.179 1.00 33.12 O ATOM 0 H TYR A 42 15.407 -19.795 21.686 1.00 75.13 H new ATOM 0 HA TYR A 42 16.442 -21.519 19.557 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.711 -20.407 22.090 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.546 -21.376 20.892 1.00 71.13 H new ATOM 0 HD1 TYR A 42 18.970 -20.428 18.602 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.313 -18.056 21.728 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.577 -18.388 17.374 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.900 -16.018 20.491 1.00 60.14 H new ATOM 0 HH TYR A 42 19.248 -16.148 17.230 1.00 33.12 H new ATOM 669 N VAL A 43 15.804 -23.639 20.735 1.00 14.33 N ATOM 670 CA VAL A 43 15.597 -24.928 21.388 1.00 13.01 C ATOM 671 C VAL A 43 16.734 -25.895 21.070 1.00 43.53 C ATOM 672 O VAL A 43 17.577 -25.621 20.214 1.00 23.35 O ATOM 673 CB VAL A 43 14.252 -25.569 20.992 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.092 -24.741 21.514 1.00 12.10 C ATOM 675 CG2 VAL A 43 14.145 -25.732 19.484 1.00 10.23 C ATOM 0 H VAL A 43 15.596 -23.632 19.736 1.00 14.33 H new ATOM 0 HA VAL A 43 15.580 -24.733 22.460 1.00 13.01 H new ATOM 0 HB VAL A 43 14.208 -26.559 21.445 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.151 -25.209 21.224 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.148 -24.681 22.601 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.142 -23.737 21.092 1.00 12.10 H new ATOM 0 HG21 VAL A 43 13.186 -26.186 19.234 1.00 10.23 H new ATOM 0 HG22 VAL A 43 14.219 -24.755 19.006 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.953 -26.372 19.129 1.00 10.23 H new ATOM 685 N CYS A 44 16.752 -27.024 21.757 1.00 44.41 N ATOM 686 CA CYS A 44 17.802 -28.013 21.573 1.00 33.42 C ATOM 687 C CYS A 44 17.212 -29.305 21.018 1.00 23.24 C ATOM 688 O CYS A 44 15.996 -29.425 20.862 1.00 51.42 O ATOM 689 CB CYS A 44 18.518 -28.260 22.903 1.00 2.24 C ATOM 690 SG CYS A 44 19.986 -29.343 22.809 1.00 3.51 S ATOM 0 H CYS A 44 16.049 -27.280 22.450 1.00 44.41 H new ATOM 0 HA CYS A 44 18.531 -27.639 20.854 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.822 -27.299 23.317 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.807 -28.699 23.603 1.00 2.24 H new ATOM 695 N ARG A 45 18.079 -30.261 20.709 1.00 62.05 N ATOM 696 CA ARG A 45 17.654 -31.527 20.135 1.00 5.01 C ATOM 697 C ARG A 45 17.064 -32.413 21.228 1.00 54.03 C ATOM 698 O ARG A 45 17.792 -33.028 22.007 1.00 24.32 O ATOM 699 CB ARG A 45 18.847 -32.216 19.453 1.00 71.44 C ATOM 700 CG ARG A 45 18.466 -33.177 18.334 1.00 42.32 C ATOM 701 CD ARG A 45 17.823 -34.453 18.855 1.00 12.32 C ATOM 702 NE ARG A 45 17.455 -35.361 17.768 1.00 32.41 N ATOM 703 CZ ARG A 45 17.147 -36.645 17.947 1.00 70.05 C ATOM 704 NH1 ARG A 45 17.212 -37.181 19.160 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 16.789 -37.399 16.912 1.00 35.41 N ATOM 0 H ARG A 45 19.086 -30.181 20.848 1.00 62.05 H new ATOM 0 HA ARG A 45 16.886 -31.349 19.383 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.509 -31.451 19.048 1.00 71.44 H new ATOM 0 HB3 ARG A 45 19.414 -32.762 20.207 1.00 71.44 H new ATOM 0 HG2 ARG A 45 17.777 -32.680 17.651 1.00 42.32 H new ATOM 0 HG3 ARG A 45 19.356 -33.431 17.759 1.00 42.32 H new ATOM 0 HD2 ARG A 45 18.513 -34.957 19.532 1.00 12.32 H new ATOM 0 HD3 ARG A 45 16.935 -34.202 19.435 1.00 12.32 H new ATOM 0 HE ARG A 45 17.433 -34.990 16.818 1.00 32.41 H new ATOM 0 HH11 ARG A 45 17.498 -36.610 19.955 1.00 54.35 H new ATOM 0 HH12 ARG A 45 16.976 -38.164 19.297 1.00 54.35 H new ATOM 0 HH21 ARG A 45 16.749 -36.995 15.976 1.00 35.41 H new ATOM 0 HH22 ARG A 45 16.554 -38.381 17.054 1.00 35.41 H new ATOM 719 N GLY A 46 15.744 -32.439 21.298 1.00 62.21 N ATOM 720 CA GLY A 46 15.068 -33.220 22.312 1.00 35.13 C ATOM 721 C GLY A 46 14.827 -32.414 23.571 1.00 50.42 C ATOM 722 O GLY A 46 14.875 -31.183 23.544 1.00 24.32 O ATOM 0 H GLY A 46 15.125 -31.930 20.667 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.116 -33.578 21.921 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.665 -34.100 22.552 1.00 35.13 H new ATOM 726 N GLU A 47 14.589 -33.098 24.679 1.00 62.41 N ATOM 727 CA GLU A 47 14.332 -32.420 25.940 1.00 21.42 C ATOM 728 C GLU A 47 15.639 -32.072 26.651 1.00 12.53 C ATOM 729 O GLU A 47 16.005 -32.670 27.663 1.00 4.41 O ATOM 730 CB GLU A 47 13.410 -33.255 26.832 1.00 22.13 C ATOM 731 CG GLU A 47 13.734 -34.739 26.828 1.00 11.01 C ATOM 732 CD GLU A 47 12.739 -35.551 27.624 1.00 54.23 C ATOM 733 OE1 GLU A 47 11.583 -35.689 27.173 1.00 31.03 O ATOM 734 OE2 GLU A 47 13.108 -36.068 28.694 1.00 71.43 O1- ATOM 0 H GLU A 47 14.568 -34.116 24.731 1.00 62.41 H new ATOM 0 HA GLU A 47 13.819 -31.483 25.724 1.00 21.42 H new ATOM 0 HB2 GLU A 47 13.473 -32.882 27.854 1.00 22.13 H new ATOM 0 HB3 GLU A 47 12.380 -33.116 26.505 1.00 22.13 H new ATOM 0 HG2 GLU A 47 13.753 -35.101 25.800 1.00 11.01 H new ATOM 0 HG3 GLU A 47 14.733 -34.891 27.238 1.00 11.01 H new ATOM 741 N ARG A 48 16.358 -31.126 26.068 1.00 3.22 N ATOM 742 CA ARG A 48 17.572 -30.582 26.658 1.00 11.31 C ATOM 743 C ARG A 48 17.412 -29.073 26.764 1.00 51.34 C ATOM 744 O ARG A 48 17.426 -28.372 25.756 1.00 74.21 O ATOM 745 CB ARG A 48 18.796 -30.936 25.803 1.00 14.32 C ATOM 746 CG ARG A 48 19.045 -32.432 25.687 1.00 42.31 C ATOM 747 CD ARG A 48 19.587 -33.016 26.983 1.00 42.54 C ATOM 748 NE ARG A 48 20.977 -32.632 27.215 1.00 62.44 N ATOM 749 CZ ARG A 48 21.649 -32.891 28.335 1.00 10.24 C ATOM 750 NH1 ARG A 48 21.057 -33.503 29.353 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 22.922 -32.538 28.439 1.00 20.12 N ATOM 0 H ARG A 48 16.115 -30.712 25.168 1.00 3.22 H new ATOM 0 HA ARG A 48 17.729 -31.011 27.647 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.664 -30.520 24.804 1.00 14.32 H new ATOM 0 HB3 ARG A 48 19.678 -30.461 26.232 1.00 14.32 H new ATOM 0 HG2 ARG A 48 18.115 -32.936 25.422 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.752 -32.621 24.879 1.00 42.31 H new ATOM 0 HD2 ARG A 48 18.973 -32.678 27.818 1.00 42.54 H new ATOM 0 HD3 ARG A 48 19.511 -34.103 26.951 1.00 42.54 H new ATOM 0 HE ARG A 48 21.465 -32.133 26.471 1.00 62.44 H new ATOM 0 HH11 ARG A 48 20.078 -33.780 29.282 1.00 25.54 H new ATOM 0 HH12 ARG A 48 21.581 -33.697 30.206 1.00 25.54 H new ATOM 0 HH21 ARG A 48 23.386 -32.068 27.662 1.00 20.12 H new ATOM 0 HH22 ARG A 48 23.438 -32.736 29.296 1.00 20.12 H new ATOM 765 N GLU A 49 17.233 -28.585 27.976 1.00 44.11 N ATOM 766 CA GLU A 49 16.867 -27.191 28.182 1.00 30.02 C ATOM 767 C GLU A 49 18.079 -26.273 28.073 1.00 63.13 C ATOM 768 O GLU A 49 19.170 -26.601 28.549 1.00 72.31 O ATOM 769 CB GLU A 49 16.166 -27.027 29.529 1.00 5.24 C ATOM 770 CG GLU A 49 14.945 -27.925 29.664 1.00 21.11 C ATOM 771 CD GLU A 49 14.136 -27.646 30.909 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.135 -26.904 30.817 1.00 50.41 O ATOM 773 OE2 GLU A 49 14.488 -28.163 31.985 1.00 41.04 O1- ATOM 0 H GLU A 49 17.334 -29.129 28.833 1.00 44.11 H new ATOM 0 HA GLU A 49 16.174 -26.899 27.393 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.869 -27.253 30.331 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.864 -25.987 29.653 1.00 5.24 H new ATOM 0 HG2 GLU A 49 14.309 -27.796 28.788 1.00 21.11 H new ATOM 0 HG3 GLU A 49 15.267 -28.966 29.673 1.00 21.11 H new ATOM 780 N VAL A 50 17.879 -25.130 27.431 1.00 34.14 N ATOM 781 CA VAL A 50 18.961 -24.188 27.184 1.00 54.31 C ATOM 782 C VAL A 50 19.022 -23.122 28.265 1.00 4.42 C ATOM 783 O VAL A 50 18.004 -22.767 28.862 1.00 41.03 O ATOM 784 CB VAL A 50 18.818 -23.480 25.812 1.00 15.41 C ATOM 785 CG1 VAL A 50 18.840 -24.484 24.671 1.00 14.02 C ATOM 786 CG2 VAL A 50 17.549 -22.640 25.762 1.00 31.42 C ATOM 0 H VAL A 50 16.973 -24.832 27.070 1.00 34.14 H new ATOM 0 HA VAL A 50 19.878 -24.777 27.188 1.00 54.31 H new ATOM 0 HB VAL A 50 19.673 -22.815 25.693 1.00 15.41 H new ATOM 0 HG11 VAL A 50 18.738 -23.958 23.722 1.00 14.02 H new ATOM 0 HG12 VAL A 50 19.784 -25.029 24.684 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.014 -25.186 24.788 1.00 14.02 H new ATOM 0 HG21 VAL A 50 17.472 -22.154 24.789 1.00 31.42 H new ATOM 0 HG22 VAL A 50 16.682 -23.282 25.916 1.00 31.42 H new ATOM 0 HG23 VAL A 50 17.583 -21.882 26.545 1.00 31.42 H new ATOM 796 N VAL A 51 20.218 -22.621 28.520 1.00 23.20 N ATOM 797 CA VAL A 51 20.377 -21.450 29.360 1.00 2.24 C ATOM 798 C VAL A 51 20.926 -20.298 28.517 1.00 12.52 C ATOM 799 O VAL A 51 22.130 -20.190 28.268 1.00 73.23 O ATOM 800 CB VAL A 51 21.287 -21.737 30.585 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.581 -22.421 30.165 1.00 24.00 C ATOM 802 CG2 VAL A 51 21.583 -20.456 31.355 1.00 4.13 C ATOM 0 H VAL A 51 21.090 -23.006 28.158 1.00 23.20 H new ATOM 0 HA VAL A 51 19.402 -21.171 29.759 1.00 2.24 H new ATOM 0 HB VAL A 51 20.747 -22.416 31.244 1.00 35.20 H new ATOM 0 HG11 VAL A 51 23.196 -22.608 31.045 1.00 24.00 H new ATOM 0 HG12 VAL A 51 22.350 -23.367 29.676 1.00 24.00 H new ATOM 0 HG13 VAL A 51 23.125 -21.778 29.473 1.00 24.00 H new ATOM 0 HG21 VAL A 51 22.222 -20.684 32.208 1.00 4.13 H new ATOM 0 HG22 VAL A 51 22.090 -19.747 30.701 1.00 4.13 H new ATOM 0 HG23 VAL A 51 20.649 -20.019 31.708 1.00 4.13 H new ATOM 812 N GLY A 52 20.015 -19.474 28.031 1.00 43.00 N ATOM 813 CA GLY A 52 20.382 -18.351 27.198 1.00 12.21 C ATOM 814 C GLY A 52 19.342 -17.256 27.248 1.00 21.54 C ATOM 815 O GLY A 52 18.271 -17.453 27.828 1.00 21.14 O ATOM 0 H GLY A 52 19.013 -19.565 28.202 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.344 -17.955 27.524 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.508 -18.687 26.169 1.00 12.21 H new ATOM 819 N PRO A 53 19.620 -16.084 26.664 1.00 41.45 N ATOM 820 CA PRO A 53 18.609 -15.056 26.471 1.00 13.20 C ATOM 821 C PRO A 53 17.809 -15.331 25.202 1.00 34.33 C ATOM 822 O PRO A 53 17.955 -14.637 24.190 1.00 53.40 O ATOM 823 CB PRO A 53 19.433 -13.777 26.343 1.00 30.31 C ATOM 824 CG PRO A 53 20.742 -14.214 25.770 1.00 70.42 C ATOM 825 CD PRO A 53 20.939 -15.664 26.154 1.00 22.42 C ATOM 0 HA PRO A 53 17.878 -15.005 27.278 1.00 13.20 H new ATOM 0 HB2 PRO A 53 18.940 -13.054 25.694 1.00 30.31 H new ATOM 0 HB3 PRO A 53 19.567 -13.296 27.312 1.00 30.31 H new ATOM 0 HG2 PRO A 53 20.744 -14.100 24.686 1.00 70.42 H new ATOM 0 HG3 PRO A 53 21.555 -13.600 26.157 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.245 -16.265 25.298 1.00 22.42 H new ATOM 0 HD3 PRO A 53 21.713 -15.774 26.913 1.00 22.42 H new ATOM 833 N LYS A 54 16.977 -16.365 25.256 1.00 53.33 N ATOM 834 CA LYS A 54 16.303 -16.854 24.064 1.00 53.43 C ATOM 835 C LYS A 54 15.067 -16.024 23.737 1.00 54.24 C ATOM 836 O LYS A 54 13.955 -16.330 24.159 1.00 72.35 O ATOM 837 CB LYS A 54 15.938 -18.342 24.211 1.00 14.34 C ATOM 838 CG LYS A 54 15.135 -18.675 25.463 1.00 2.25 C ATOM 839 CD LYS A 54 14.728 -20.140 25.499 1.00 62.01 C ATOM 840 CE LYS A 54 13.824 -20.440 26.688 1.00 22.54 C ATOM 841 NZ LYS A 54 12.533 -19.697 26.624 1.00 20.32 N1+ ATOM 0 H LYS A 54 16.755 -16.877 26.110 1.00 53.33 H new ATOM 0 HA LYS A 54 16.998 -16.752 23.231 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.367 -18.651 23.336 1.00 14.34 H new ATOM 0 HB3 LYS A 54 16.856 -18.929 24.217 1.00 14.34 H new ATOM 0 HG2 LYS A 54 15.727 -18.440 26.348 1.00 2.25 H new ATOM 0 HG3 LYS A 54 14.244 -18.049 25.500 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.212 -20.398 24.574 1.00 62.01 H new ATOM 0 HD3 LYS A 54 15.619 -20.765 25.552 1.00 62.01 H new ATOM 0 HE2 LYS A 54 13.622 -21.510 26.726 1.00 22.54 H new ATOM 0 HE3 LYS A 54 14.344 -20.181 27.610 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 11.809 -20.211 27.166 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 12.659 -18.747 27.028 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 12.229 -19.614 25.633 1.00 20.32 H new ATOM 855 N VAL A 55 15.284 -14.956 22.994 1.00 2.14 N ATOM 856 CA VAL A 55 14.203 -14.151 22.458 1.00 11.43 C ATOM 857 C VAL A 55 14.730 -13.298 21.316 1.00 43.22 C ATOM 858 O VAL A 55 15.751 -12.618 21.457 1.00 65.24 O ATOM 859 CB VAL A 55 13.542 -13.265 23.547 1.00 34.24 C ATOM 860 CG1 VAL A 55 14.569 -12.401 24.264 1.00 71.14 C ATOM 861 CG2 VAL A 55 12.436 -12.402 22.950 1.00 74.12 C ATOM 0 H VAL A 55 16.215 -14.622 22.745 1.00 2.14 H new ATOM 0 HA VAL A 55 13.429 -14.822 22.086 1.00 11.43 H new ATOM 0 HB VAL A 55 13.097 -13.932 24.285 1.00 34.24 H new ATOM 0 HG11 VAL A 55 14.070 -11.794 25.019 1.00 71.14 H new ATOM 0 HG12 VAL A 55 15.311 -13.040 24.743 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.063 -11.749 23.543 1.00 71.14 H new ATOM 0 HG21 VAL A 55 11.989 -11.790 23.734 1.00 74.12 H new ATOM 0 HG22 VAL A 55 12.855 -11.755 22.180 1.00 74.12 H new ATOM 0 HG23 VAL A 55 11.672 -13.043 22.509 1.00 74.12 H new ATOM 871 N ARG A 56 14.058 -13.367 20.178 1.00 3.44 N ATOM 872 CA ARG A 56 14.450 -12.607 18.998 1.00 30.34 C ATOM 873 C ARG A 56 13.210 -12.184 18.240 1.00 34.22 C ATOM 874 O ARG A 56 12.449 -13.034 17.782 1.00 45.24 O ATOM 875 CB ARG A 56 15.326 -13.443 18.056 1.00 31.13 C ATOM 876 CG ARG A 56 16.611 -13.974 18.666 1.00 60.22 C ATOM 877 CD ARG A 56 17.591 -12.864 18.994 1.00 12.52 C ATOM 878 NE ARG A 56 18.907 -13.406 19.309 1.00 73.32 N ATOM 879 CZ ARG A 56 19.841 -12.767 20.007 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.608 -11.563 20.515 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.020 -13.339 20.195 1.00 53.04 N ATOM 0 H ARG A 56 13.230 -13.947 20.045 1.00 3.44 H new ATOM 0 HA ARG A 56 15.020 -11.740 19.334 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.739 -14.287 17.694 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.579 -12.835 17.187 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.377 -14.530 19.574 1.00 60.22 H new ATOM 0 HG3 ARG A 56 17.077 -14.675 17.974 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.668 -12.180 18.149 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.220 -12.285 19.840 1.00 12.52 H new ATOM 0 HE ARG A 56 19.127 -14.342 18.970 1.00 73.32 H new ATOM 0 HH11 ARG A 56 18.703 -11.116 20.372 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.334 -11.085 21.048 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.206 -14.263 19.806 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.742 -12.856 20.729 1.00 53.04 H new ATOM 895 N LYS A 57 12.999 -10.887 18.112 1.00 33.31 N ATOM 896 CA LYS A 57 11.871 -10.389 17.354 1.00 4.11 C ATOM 897 C LYS A 57 12.347 -9.827 16.024 1.00 15.33 C ATOM 898 O LYS A 57 13.393 -9.181 15.947 1.00 3.22 O ATOM 899 CB LYS A 57 11.094 -9.338 18.148 1.00 43.11 C ATOM 900 CG LYS A 57 9.847 -8.848 17.430 1.00 71.30 C ATOM 901 CD LYS A 57 8.891 -8.140 18.373 1.00 14.43 C ATOM 902 CE LYS A 57 9.523 -6.919 19.021 1.00 11.33 C ATOM 903 NZ LYS A 57 8.573 -6.236 19.933 1.00 52.31 N1+ ATOM 0 H LYS A 57 13.591 -10.165 18.521 1.00 33.31 H new ATOM 0 HA LYS A 57 11.191 -11.218 17.158 1.00 4.11 H new ATOM 0 HB2 LYS A 57 10.809 -9.758 19.113 1.00 43.11 H new ATOM 0 HB3 LYS A 57 11.747 -8.489 18.350 1.00 43.11 H new ATOM 0 HG2 LYS A 57 10.134 -8.169 16.627 1.00 71.30 H new ATOM 0 HG3 LYS A 57 9.339 -9.694 16.966 1.00 71.30 H new ATOM 0 HD2 LYS A 57 7.999 -7.837 17.824 1.00 14.43 H new ATOM 0 HD3 LYS A 57 8.567 -8.834 19.148 1.00 14.43 H new ATOM 0 HE2 LYS A 57 10.411 -7.219 19.577 1.00 11.33 H new ATOM 0 HE3 LYS A 57 9.851 -6.224 18.248 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 9.035 -5.407 20.359 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 7.737 -5.928 19.396 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 8.280 -6.893 20.684 1.00 52.31 H new ATOM 917 N CYS A 58 11.581 -10.099 14.984 1.00 72.13 N ATOM 918 CA CYS A 58 11.948 -9.719 13.632 1.00 62.31 C ATOM 919 C CYS A 58 11.864 -8.210 13.422 1.00 74.10 C ATOM 920 O CYS A 58 11.046 -7.522 14.045 1.00 14.35 O ATOM 921 CB CYS A 58 11.047 -10.440 12.633 1.00 65.03 C ATOM 922 SG CYS A 58 11.489 -10.149 10.895 1.00 34.12 S ATOM 0 H CYS A 58 10.689 -10.588 15.052 1.00 72.13 H new ATOM 0 HA CYS A 58 12.985 -10.013 13.471 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.085 -11.511 12.832 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.017 -10.122 12.793 1.00 65.03 H new ATOM 927 N LEU A 59 12.717 -7.715 12.534 1.00 20.31 N ATOM 928 CA LEU A 59 12.771 -6.304 12.194 1.00 35.20 C ATOM 929 C LEU A 59 12.324 -6.099 10.747 1.00 35.41 C ATOM 930 O LEU A 59 11.958 -7.053 10.066 1.00 75.32 O ATOM 931 CB LEU A 59 14.193 -5.764 12.389 1.00 75.13 C ATOM 932 CG LEU A 59 14.736 -5.834 13.819 1.00 73.02 C ATOM 933 CD1 LEU A 59 16.172 -5.337 13.865 1.00 24.20 C ATOM 934 CD2 LEU A 59 13.864 -5.021 14.764 1.00 11.24 C ATOM 0 H LEU A 59 13.393 -8.287 12.028 1.00 20.31 H new ATOM 0 HA LEU A 59 12.098 -5.757 12.854 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.866 -6.319 11.736 1.00 75.13 H new ATOM 0 HB3 LEU A 59 14.216 -4.725 12.061 1.00 75.13 H new ATOM 0 HG LEU A 59 14.717 -6.875 14.143 1.00 73.02 H new ATOM 0 HD11 LEU A 59 16.544 -5.393 14.888 1.00 24.20 H new ATOM 0 HD12 LEU A 59 16.793 -5.958 13.219 1.00 24.20 H new ATOM 0 HD13 LEU A 59 16.210 -4.303 13.521 1.00 24.20 H new ATOM 0 HD21 LEU A 59 14.267 -5.084 15.775 1.00 11.24 H new ATOM 0 HD22 LEU A 59 13.851 -3.980 14.442 1.00 11.24 H new ATOM 0 HD23 LEU A 59 12.848 -5.417 14.753 1.00 11.24 H new ATOM 946 N ALA A 60 12.358 -4.861 10.275 1.00 33.55 N ATOM 947 CA ALA A 60 11.921 -4.548 8.917 1.00 14.42 C ATOM 948 C ALA A 60 13.037 -4.803 7.902 1.00 34.01 C ATOM 949 O ALA A 60 13.087 -4.170 6.843 1.00 3.23 O ATOM 950 CB ALA A 60 11.457 -3.102 8.843 1.00 21.55 C ATOM 0 H ALA A 60 12.683 -4.056 10.810 1.00 33.55 H new ATOM 0 HA ALA A 60 11.088 -5.205 8.666 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.133 -2.876 7.827 1.00 21.55 H new ATOM 0 HB2 ALA A 60 10.626 -2.951 9.532 1.00 21.55 H new ATOM 0 HB3 ALA A 60 12.280 -2.441 9.117 1.00 21.55 H new ATOM 956 N ASN A 61 13.909 -5.749 8.218 1.00 62.21 N ATOM 957 CA ASN A 61 15.029 -6.094 7.355 1.00 25.33 C ATOM 958 C ASN A 61 15.331 -7.588 7.465 1.00 24.31 C ATOM 959 O ASN A 61 14.798 -8.266 8.341 1.00 33.40 O ATOM 960 CB ASN A 61 16.265 -5.249 7.702 1.00 32.31 C ATOM 961 CG ASN A 61 16.677 -5.365 9.158 1.00 74.35 C ATOM 962 OD1 ASN A 61 17.632 -6.233 9.436 1.00 1.31 O flip ATOM 963 ND2 ASN A 61 16.168 -4.649 10.019 1.00 4.55 N flip ATOM 0 H ASN A 61 13.861 -6.297 9.077 1.00 62.21 H new ATOM 0 HA ASN A 61 14.760 -5.873 6.322 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.097 -5.557 7.070 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.059 -4.204 7.471 1.00 32.31 H new ATOM 0 HD21 ASN A 61 15.432 -3.990 9.765 1.00 4.55 H new ATOM 0 HD22 ASN A 61 16.482 -4.714 10.987 1.00 4.55 H new ATOM 970 N GLY A 62 16.190 -8.090 6.582 1.00 21.23 N ATOM 971 CA GLY A 62 16.388 -9.527 6.450 1.00 43.34 C ATOM 972 C GLY A 62 17.081 -10.166 7.636 1.00 30.15 C ATOM 973 O GLY A 62 16.796 -11.313 7.982 1.00 74.22 O ATOM 0 H GLY A 62 16.757 -7.524 5.951 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.419 -10.005 6.308 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.974 -9.721 5.552 1.00 43.34 H new ATOM 977 N SER A 63 17.998 -9.444 8.251 1.00 32.44 N ATOM 978 CA SER A 63 18.721 -9.968 9.396 1.00 55.04 C ATOM 979 C SER A 63 17.994 -9.645 10.698 1.00 64.31 C ATOM 980 O SER A 63 17.422 -8.569 10.856 1.00 34.44 O ATOM 981 CB SER A 63 20.139 -9.409 9.424 1.00 2.41 C ATOM 982 OG SER A 63 20.878 -9.841 8.292 1.00 62.04 O ATOM 0 H SER A 63 18.260 -8.496 7.979 1.00 32.44 H new ATOM 0 HA SER A 63 18.772 -11.053 9.300 1.00 55.04 H new ATOM 0 HB2 SER A 63 20.104 -8.320 9.446 1.00 2.41 H new ATOM 0 HB3 SER A 63 20.643 -9.730 10.336 1.00 2.41 H new ATOM 0 HG SER A 63 21.784 -9.469 8.331 1.00 62.04 H new ATOM 988 N TRP A 64 18.017 -10.588 11.627 1.00 43.33 N ATOM 989 CA TRP A 64 17.361 -10.413 12.914 1.00 43.33 C ATOM 990 C TRP A 64 18.152 -9.448 13.798 1.00 14.23 C ATOM 991 O TRP A 64 19.188 -8.920 13.381 1.00 63.32 O ATOM 992 CB TRP A 64 17.200 -11.764 13.618 1.00 65.43 C ATOM 993 CG TRP A 64 16.306 -12.725 12.886 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.599 -13.422 11.748 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.973 -13.104 13.252 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.530 -14.204 11.381 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.521 -14.026 12.289 1.00 3.21 C ATOM 998 CE3 TRP A 64 14.118 -12.751 14.299 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.252 -14.596 12.340 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.858 -13.319 14.350 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.436 -14.232 13.376 1.00 30.45 C ATOM 0 H TRP A 64 18.485 -11.487 11.513 1.00 43.33 H new ATOM 0 HA TRP A 64 16.373 -9.988 12.739 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.183 -12.218 13.742 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.798 -11.597 14.617 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.536 -13.366 11.214 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.494 -14.816 10.566 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.435 -12.048 15.055 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 12.924 -15.300 11.589 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 12.188 -13.054 15.155 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.446 -14.658 13.444 1.00 30.45 H new ATOM 1012 N THR A 65 17.657 -9.219 15.010 1.00 64.24 N ATOM 1013 CA THR A 65 18.289 -8.299 15.948 1.00 62.45 C ATOM 1014 C THR A 65 19.747 -8.675 16.217 1.00 71.12 C ATOM 1015 O THR A 65 20.652 -7.861 16.027 1.00 30.41 O ATOM 1016 CB THR A 65 17.504 -8.256 17.270 1.00 0.54 C ATOM 1017 OG1 THR A 65 17.058 -9.576 17.618 1.00 14.20 O ATOM 1018 CG2 THR A 65 16.309 -7.323 17.154 1.00 4.51 C ATOM 0 H THR A 65 16.811 -9.663 15.368 1.00 64.24 H new ATOM 0 HA THR A 65 18.278 -7.309 15.491 1.00 62.45 H new ATOM 0 HB THR A 65 18.164 -7.880 18.051 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.560 -9.541 18.462 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.767 -7.307 18.100 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.655 -6.317 16.916 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.648 -7.676 16.363 1.00 4.51 H new ATOM 1026 N ASP A 66 19.968 -9.901 16.659 1.00 71.12 N ATOM 1027 CA ASP A 66 21.317 -10.423 16.837 1.00 34.33 C ATOM 1028 C ASP A 66 21.355 -11.881 16.448 1.00 13.42 C ATOM 1029 O ASP A 66 20.541 -12.667 16.928 1.00 3.12 O ATOM 1030 CB ASP A 66 21.781 -10.311 18.296 1.00 63.41 C ATOM 1031 CG ASP A 66 23.176 -10.881 18.507 1.00 40.15 C ATOM 1032 OD1 ASP A 66 24.149 -10.093 18.499 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.309 -12.113 18.692 1.00 24.04 O1- ATOM 0 H ASP A 66 19.228 -10.559 16.903 1.00 71.12 H new ATOM 0 HA ASP A 66 21.979 -9.831 16.205 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.770 -9.264 18.598 1.00 63.41 H new ATOM 0 HB3 ASP A 66 21.076 -10.836 18.940 1.00 63.41 H new ATOM 1038 N MET A 67 22.265 -12.253 15.569 1.00 22.12 N ATOM 1039 CA MET A 67 22.543 -13.660 15.398 1.00 54.13 C ATOM 1040 C MET A 67 24.029 -13.927 15.523 1.00 53.22 C ATOM 1041 O MET A 67 24.755 -14.047 14.533 1.00 32.02 O ATOM 1042 CB MET A 67 22.008 -14.164 14.055 1.00 11.22 C ATOM 1043 CG MET A 67 20.491 -14.186 13.992 1.00 72.34 C ATOM 1044 SD MET A 67 19.770 -15.262 15.250 1.00 2.02 S ATOM 1045 CE MET A 67 18.047 -14.788 15.157 1.00 10.45 C ATOM 0 H MET A 67 22.808 -11.621 14.980 1.00 22.12 H new ATOM 0 HA MET A 67 22.030 -14.208 16.188 1.00 54.13 H new ATOM 0 HB2 MET A 67 22.390 -13.529 13.256 1.00 11.22 H new ATOM 0 HB3 MET A 67 22.388 -15.169 13.873 1.00 11.22 H new ATOM 0 HG2 MET A 67 20.109 -13.173 14.121 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.175 -14.522 13.005 1.00 72.34 H new ATOM 0 HE1 MET A 67 17.427 -15.590 15.557 1.00 10.45 H new ATOM 0 HE2 MET A 67 17.887 -13.881 15.739 1.00 10.45 H new ATOM 0 HE3 MET A 67 17.776 -14.604 14.117 1.00 10.45 H new ATOM 1055 N ASP A 68 24.463 -13.957 16.770 1.00 24.31 N ATOM 1056 CA ASP A 68 25.702 -14.593 17.177 1.00 2.01 C ATOM 1057 C ASP A 68 25.687 -14.697 18.691 1.00 63.14 C ATOM 1058 O ASP A 68 26.170 -13.798 19.382 1.00 55.15 O ATOM 1059 CB ASP A 68 26.932 -13.809 16.713 1.00 13.54 C ATOM 1060 CG ASP A 68 28.216 -14.597 16.893 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.720 -14.683 18.033 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.724 -15.138 15.887 1.00 51.53 O1- ATOM 0 H ASP A 68 23.953 -13.531 17.544 1.00 24.31 H new ATOM 0 HA ASP A 68 25.769 -15.578 16.715 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.816 -13.542 15.663 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.999 -12.876 17.273 1.00 13.54 H new ATOM 1067 N THR A 69 25.126 -15.772 19.205 1.00 35.52 N ATOM 1068 CA THR A 69 24.905 -15.911 20.638 1.00 74.33 C ATOM 1069 C THR A 69 24.712 -17.384 20.987 1.00 61.54 C ATOM 1070 O THR A 69 23.696 -17.985 20.640 1.00 13.04 O ATOM 1071 CB THR A 69 23.672 -15.085 21.098 1.00 11.41 C ATOM 1072 OG1 THR A 69 23.854 -13.691 20.800 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.432 -15.218 22.591 1.00 22.51 C ATOM 0 H THR A 69 24.812 -16.569 18.652 1.00 35.52 H new ATOM 0 HA THR A 69 25.780 -15.526 21.161 1.00 74.33 H new ATOM 0 HB THR A 69 22.813 -15.481 20.557 1.00 11.41 H new ATOM 0 HG1 THR A 69 23.531 -13.505 19.894 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.562 -14.626 22.874 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.255 -16.265 22.839 1.00 22.51 H new ATOM 0 HG23 THR A 69 24.307 -14.859 23.134 1.00 22.51 H new ATOM 1081 N PRO A 70 25.700 -17.986 21.661 1.00 34.41 N ATOM 1082 CA PRO A 70 25.693 -19.419 21.962 1.00 42.43 C ATOM 1083 C PRO A 70 24.666 -19.806 23.024 1.00 23.34 C ATOM 1084 O PRO A 70 24.890 -19.627 24.223 1.00 64.14 O ATOM 1085 CB PRO A 70 27.110 -19.681 22.469 1.00 61.51 C ATOM 1086 CG PRO A 70 27.564 -18.377 23.022 1.00 11.35 C ATOM 1087 CD PRO A 70 26.905 -17.316 22.185 1.00 41.03 C ATOM 0 HA PRO A 70 25.416 -20.008 21.088 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.119 -20.459 23.232 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.762 -20.017 21.663 1.00 61.51 H new ATOM 0 HG2 PRO A 70 27.281 -18.278 24.070 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.650 -18.291 22.976 1.00 11.35 H new ATOM 0 HD2 PRO A 70 26.649 -16.438 22.779 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.558 -16.978 21.380 1.00 41.03 H new ATOM 1095 N SER A 71 23.530 -20.313 22.575 1.00 21.45 N ATOM 1096 CA SER A 71 22.528 -20.842 23.478 1.00 53.41 C ATOM 1097 C SER A 71 22.764 -22.335 23.683 1.00 14.12 C ATOM 1098 O SER A 71 22.381 -23.156 22.851 1.00 73.30 O ATOM 1099 CB SER A 71 21.131 -20.578 22.916 1.00 41.55 C ATOM 1100 OG SER A 71 21.058 -20.935 21.545 1.00 70.34 O ATOM 0 H SER A 71 23.281 -20.368 21.588 1.00 21.45 H new ATOM 0 HA SER A 71 22.604 -20.344 24.445 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.394 -21.146 23.483 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.881 -19.524 23.035 1.00 41.55 H new ATOM 0 HG SER A 71 21.467 -21.816 21.414 1.00 70.34 H new ATOM 1106 N ARG A 72 23.413 -22.677 24.783 1.00 45.03 N ATOM 1107 CA ARG A 72 23.787 -24.057 25.050 1.00 4.44 C ATOM 1108 C ARG A 72 22.699 -24.770 25.845 1.00 75.30 C ATOM 1109 O ARG A 72 22.086 -24.191 26.746 1.00 23.40 O ATOM 1110 CB ARG A 72 25.119 -24.105 25.804 1.00 34.44 C ATOM 1111 CG ARG A 72 25.083 -23.398 27.148 1.00 12.31 C ATOM 1112 CD ARG A 72 26.471 -23.269 27.749 1.00 24.33 C ATOM 1113 NE ARG A 72 27.342 -22.428 26.931 1.00 52.22 N ATOM 1114 CZ ARG A 72 27.959 -21.340 27.383 1.00 64.42 C ATOM 1115 NH1 ARG A 72 27.775 -20.940 28.634 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 28.751 -20.646 26.579 1.00 31.31 N ATOM 0 H ARG A 72 23.693 -22.016 25.508 1.00 45.03 H new ATOM 0 HA ARG A 72 23.903 -24.573 24.097 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.402 -25.146 25.958 1.00 34.44 H new ATOM 0 HB3 ARG A 72 25.894 -23.652 25.185 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.645 -22.407 27.027 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.439 -23.950 27.833 1.00 12.31 H new ATOM 0 HD2 ARG A 72 26.395 -22.847 28.751 1.00 24.33 H new ATOM 0 HD3 ARG A 72 26.915 -24.259 27.853 1.00 24.33 H new ATOM 0 HE ARG A 72 27.485 -22.691 25.956 1.00 52.22 H new ATOM 0 HH11 ARG A 72 27.159 -21.467 29.253 1.00 45.44 H new ATOM 0 HH12 ARG A 72 28.250 -20.105 28.978 1.00 45.44 H new ATOM 0 HH21 ARG A 72 28.887 -20.946 25.614 1.00 31.31 H new ATOM 0 HH22 ARG A 72 29.224 -19.811 26.925 1.00 31.31 H new ATOM 1130 N CYS A 73 22.461 -26.024 25.500 1.00 4.41 N ATOM 1131 CA CYS A 73 21.451 -26.823 26.171 1.00 74.22 C ATOM 1132 C CYS A 73 22.088 -27.860 27.079 1.00 15.32 C ATOM 1133 O CYS A 73 22.894 -28.680 26.640 1.00 21.44 O ATOM 1134 CB CYS A 73 20.546 -27.509 25.150 1.00 72.10 C ATOM 1135 SG CYS A 73 21.430 -28.268 23.747 1.00 53.24 S ATOM 0 H CYS A 73 22.957 -26.513 24.755 1.00 4.41 H new ATOM 0 HA CYS A 73 20.849 -26.153 26.785 1.00 74.22 H new ATOM 0 HB2 CYS A 73 19.966 -28.280 25.657 1.00 72.10 H new ATOM 0 HB3 CYS A 73 19.836 -26.778 24.763 1.00 72.10 H new ATOM 1140 N VAL A 74 21.739 -27.802 28.350 1.00 70.53 N ATOM 1141 CA VAL A 74 22.196 -28.785 29.310 1.00 64.52 C ATOM 1142 C VAL A 74 20.988 -29.358 30.043 1.00 43.42 C ATOM 1143 O VAL A 74 20.315 -30.247 29.522 1.00 34.31 O ATOM 1144 CB VAL A 74 23.202 -28.190 30.326 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.830 -29.291 31.168 1.00 11.41 C ATOM 1146 CG2 VAL A 74 24.279 -27.377 29.617 1.00 43.31 C ATOM 0 H VAL A 74 21.136 -27.079 28.742 1.00 70.53 H new ATOM 0 HA VAL A 74 22.721 -29.572 28.768 1.00 64.52 H new ATOM 0 HB VAL A 74 22.654 -27.520 30.988 1.00 54.13 H new ATOM 0 HG11 VAL A 74 24.534 -28.852 31.875 1.00 11.41 H new ATOM 0 HG12 VAL A 74 23.050 -29.821 31.714 1.00 11.41 H new ATOM 0 HG13 VAL A 74 24.357 -29.990 30.519 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.972 -26.971 30.354 1.00 43.31 H new ATOM 0 HG22 VAL A 74 24.822 -28.019 28.923 1.00 43.31 H new ATOM 0 HG23 VAL A 74 23.814 -26.559 29.066 1.00 43.31 H new ATOM 1156 N ARG A 75 20.689 -28.798 31.214 1.00 64.45 N ATOM 1157 CA ARG A 75 19.543 -29.209 32.014 1.00 54.13 C ATOM 1158 C ARG A 75 19.558 -28.472 33.349 1.00 45.21 C ATOM 1159 O ARG A 75 19.924 -29.094 34.371 1.00 37.22 O ATOM 1160 CB ARG A 75 19.557 -30.720 32.258 1.00 55.34 C ATOM 1161 CG ARG A 75 18.274 -31.420 31.835 1.00 43.51 C ATOM 1162 CD ARG A 75 17.065 -30.879 32.580 1.00 51.22 C ATOM 1163 NE ARG A 75 17.286 -30.875 34.023 1.00 74.41 N ATOM 1164 CZ ARG A 75 16.553 -31.561 34.893 1.00 23.14 C ATOM 1165 NH1 ARG A 75 15.550 -32.327 34.474 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 16.832 -31.489 36.188 1.00 4.05 N ATOM 1167 OXT ARG A 75 19.238 -27.269 33.366 1.00 37.22 O ATOM 0 H ARG A 75 21.237 -28.046 31.633 1.00 64.45 H new ATOM 0 HA ARG A 75 18.634 -28.959 31.466 1.00 54.13 H new ATOM 0 HB2 ARG A 75 20.395 -31.159 31.717 1.00 55.34 H new ATOM 0 HB3 ARG A 75 19.730 -30.906 33.318 1.00 55.34 H new ATOM 0 HG2 ARG A 75 18.127 -31.293 30.762 1.00 43.51 H new ATOM 0 HG3 ARG A 75 18.366 -32.490 32.020 1.00 43.51 H new ATOM 0 HD2 ARG A 75 16.850 -29.866 32.241 1.00 51.22 H new ATOM 0 HD3 ARG A 75 16.190 -31.486 32.346 1.00 51.22 H new ATOM 0 HE ARG A 75 18.053 -30.309 34.387 1.00 74.41 H new ATOM 0 HH11 ARG A 75 15.339 -32.391 33.478 1.00 33.54 H new ATOM 0 HH12 ARG A 75 14.992 -32.851 35.148 1.00 33.54 H new ATOM 0 HH21 ARG A 75 17.606 -30.909 36.511 1.00 4.05 H new ATOM 0 HH22 ARG A 75 16.272 -32.014 36.860 1.00 4.05 H new TER 1181 ARG A 75