USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 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 Single : A 1 GLY N :NH3+ -130:sc= 0.0214 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 50:sc= 0.0892 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.13) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0328 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 27 GLN : amide:sc= -0.941 K(o=-0.94,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -62:sc= -3! USER MOD Single : A 42 TYR OH : rot 0:sc= -0.534 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.16) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.796 K(o=-0.8,f=-1.5) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0856 USER MOD Single : A 65 THR OG1 : rot -140:sc= 0.179 USER MOD Single : A 67 MET CE :methyl -158:sc= -0.212 (180deg=-0.962) USER MOD Single : A 69 THR OG1 : rot -76:sc= 0.165 USER MOD Single : A 71 SER OG : rot 47:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.148 0.678 -3.553 1.00 35.34 N ATOM 2 CA GLY A 1 9.301 -0.308 -4.265 1.00 55.43 C ATOM 3 C GLY A 1 8.390 -1.056 -3.317 1.00 51.14 C ATOM 4 O GLY A 1 7.918 -0.480 -2.337 1.00 72.35 O ATOM 0 H1 GLY A 1 10.081 1.601 -4.029 1.00 35.34 H new ATOM 0 H2 GLY A 1 9.821 0.771 -2.570 1.00 35.34 H new ATOM 0 H3 GLY A 1 11.137 0.356 -3.560 1.00 35.34 H new ATOM 0 HA2 GLY A 1 8.701 0.204 -5.017 1.00 55.43 H new ATOM 0 HA3 GLY A 1 9.937 -1.018 -4.794 1.00 55.43 H new ATOM 10 N PRO A 2 8.113 -2.339 -3.583 1.00 72.10 N ATOM 11 CA PRO A 2 7.286 -3.166 -2.707 1.00 11.23 C ATOM 12 C PRO A 2 7.985 -3.442 -1.383 1.00 35.21 C ATOM 13 O PRO A 2 8.771 -4.385 -1.262 1.00 11.13 O ATOM 14 CB PRO A 2 7.087 -4.470 -3.491 1.00 52.12 C ATOM 15 CG PRO A 2 7.551 -4.174 -4.880 1.00 45.52 C ATOM 16 CD PRO A 2 8.579 -3.088 -4.753 1.00 34.41 C ATOM 0 HA PRO A 2 6.345 -2.677 -2.454 1.00 11.23 H new ATOM 0 HB2 PRO A 2 7.662 -5.285 -3.050 1.00 52.12 H new ATOM 0 HB3 PRO A 2 6.041 -4.777 -3.483 1.00 52.12 H new ATOM 0 HG2 PRO A 2 7.978 -5.062 -5.346 1.00 45.52 H new ATOM 0 HG3 PRO A 2 6.720 -3.853 -5.508 1.00 45.52 H new ATOM 0 HD2 PRO A 2 9.580 -3.493 -4.602 1.00 34.41 H new ATOM 0 HD3 PRO A 2 8.619 -2.462 -5.645 1.00 34.41 H new ATOM 24 N THR A 3 7.709 -2.602 -0.403 1.00 75.23 N ATOM 25 CA THR A 3 8.367 -2.688 0.883 1.00 20.44 C ATOM 26 C THR A 3 7.769 -3.793 1.740 1.00 14.14 C ATOM 27 O THR A 3 6.705 -3.629 2.339 1.00 41.35 O ATOM 28 CB THR A 3 8.274 -1.342 1.619 1.00 44.42 C ATOM 29 OG1 THR A 3 6.977 -0.762 1.395 1.00 62.22 O ATOM 30 CG2 THR A 3 9.357 -0.384 1.140 1.00 1.30 C ATOM 0 H THR A 3 7.027 -1.847 -0.477 1.00 75.23 H new ATOM 0 HA THR A 3 9.415 -2.929 0.706 1.00 20.44 H new ATOM 0 HB THR A 3 8.420 -1.518 2.685 1.00 44.42 H new ATOM 0 HG1 THR A 3 6.284 -1.429 1.581 1.00 62.22 H new ATOM 0 HG21 THR A 3 9.270 0.561 1.676 1.00 1.30 H new ATOM 0 HG22 THR A 3 10.338 -0.820 1.330 1.00 1.30 H new ATOM 0 HG23 THR A 3 9.239 -0.207 0.071 1.00 1.30 H new ATOM 38 N SER A 4 8.443 -4.929 1.762 1.00 71.02 N ATOM 39 CA SER A 4 8.037 -6.045 2.593 1.00 42.34 C ATOM 40 C SER A 4 9.138 -6.360 3.593 1.00 25.41 C ATOM 41 O SER A 4 10.149 -6.974 3.248 1.00 72.11 O ATOM 42 CB SER A 4 7.726 -7.268 1.729 1.00 74.12 C ATOM 43 OG SER A 4 6.718 -6.970 0.774 1.00 34.13 O ATOM 0 H SER A 4 9.282 -5.102 1.208 1.00 71.02 H new ATOM 0 HA SER A 4 7.131 -5.777 3.137 1.00 42.34 H new ATOM 0 HB2 SER A 4 8.631 -7.597 1.218 1.00 74.12 H new ATOM 0 HB3 SER A 4 7.400 -8.093 2.363 1.00 74.12 H new ATOM 0 HG SER A 4 6.536 -7.765 0.231 1.00 34.13 H new ATOM 49 N GLU A 5 8.955 -5.900 4.822 1.00 73.11 N ATOM 50 CA GLU A 5 9.957 -6.087 5.855 1.00 2.22 C ATOM 51 C GLU A 5 9.818 -7.460 6.490 1.00 63.11 C ATOM 52 O GLU A 5 8.852 -7.737 7.203 1.00 33.12 O ATOM 53 CB GLU A 5 9.851 -4.988 6.911 1.00 74.03 C ATOM 54 CG GLU A 5 9.993 -3.589 6.330 1.00 3.23 C ATOM 55 CD GLU A 5 11.190 -3.465 5.404 1.00 61.35 C ATOM 56 OE1 GLU A 5 12.321 -3.746 5.848 1.00 21.51 O ATOM 57 OE2 GLU A 5 11.000 -3.088 4.227 1.00 22.25 O1- ATOM 0 H GLU A 5 8.122 -5.395 5.126 1.00 73.11 H new ATOM 0 HA GLU A 5 10.943 -6.023 5.395 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.889 -5.069 7.417 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.622 -5.142 7.666 1.00 74.03 H new ATOM 0 HG2 GLU A 5 9.086 -3.332 5.783 1.00 3.23 H new ATOM 0 HG3 GLU A 5 10.090 -2.869 7.143 1.00 3.23 H new ATOM 64 N GLY A 6 10.776 -8.322 6.201 1.00 13.15 N ATOM 65 CA GLY A 6 10.734 -9.670 6.713 1.00 42.42 C ATOM 66 C GLY A 6 12.114 -10.252 6.914 1.00 52.24 C ATOM 67 O GLY A 6 13.023 -10.018 6.110 1.00 3.43 O ATOM 0 H GLY A 6 11.586 -8.110 5.618 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.197 -9.679 7.661 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.173 -10.301 6.023 1.00 42.42 H new ATOM 71 N CYS A 7 12.269 -11.002 7.985 1.00 10.20 N ATOM 72 CA CYS A 7 13.528 -11.646 8.296 1.00 70.11 C ATOM 73 C CYS A 7 13.590 -13.021 7.639 1.00 4.44 C ATOM 74 O CYS A 7 12.557 -13.637 7.376 1.00 72.14 O ATOM 75 CB CYS A 7 13.676 -11.774 9.811 1.00 4.33 C ATOM 76 SG CYS A 7 13.423 -10.209 10.709 1.00 21.12 S ATOM 0 H CYS A 7 11.528 -11.182 8.663 1.00 10.20 H new ATOM 0 HA CYS A 7 14.348 -11.041 7.908 1.00 70.11 H new ATOM 0 HB2 CYS A 7 12.961 -12.511 10.176 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.671 -12.156 10.039 1.00 4.33 H new ATOM 81 N GLN A 8 14.795 -13.497 7.372 1.00 15.12 N ATOM 82 CA GLN A 8 14.973 -14.771 6.683 1.00 64.14 C ATOM 83 C GLN A 8 14.976 -15.943 7.658 1.00 64.22 C ATOM 84 O GLN A 8 14.905 -15.757 8.877 1.00 1.10 O ATOM 85 CB GLN A 8 16.281 -14.777 5.893 1.00 50.41 C ATOM 86 CG GLN A 8 17.513 -14.489 6.745 1.00 43.35 C ATOM 87 CD GLN A 8 18.808 -14.989 6.128 1.00 51.10 C ATOM 88 OE1 GLN A 8 19.862 -14.374 6.285 1.00 41.23 O ATOM 89 NE2 GLN A 8 18.750 -16.133 5.462 1.00 23.50 N ATOM 0 H GLN A 8 15.664 -13.024 7.620 1.00 15.12 H new ATOM 0 HA GLN A 8 14.130 -14.886 6.002 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.401 -15.748 5.413 1.00 50.41 H new ATOM 0 HB3 GLN A 8 16.218 -14.034 5.098 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.589 -13.414 6.908 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.384 -14.951 7.724 1.00 43.35 H new ATOM 0 HE21 GLN A 8 17.858 -16.615 5.352 1.00 23.50 H new ATOM 0 HE22 GLN A 8 19.598 -16.532 5.059 1.00 23.50 H new ATOM 98 N ILE A 9 15.087 -17.147 7.106 1.00 54.54 N ATOM 99 CA ILE A 9 15.152 -18.362 7.903 1.00 64.42 C ATOM 100 C ILE A 9 16.597 -18.658 8.284 1.00 73.43 C ATOM 101 O ILE A 9 17.451 -18.854 7.415 1.00 71.43 O ATOM 102 CB ILE A 9 14.575 -19.574 7.133 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.099 -19.348 6.800 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.755 -20.860 7.932 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.478 -20.480 6.011 1.00 23.41 C ATOM 0 H ILE A 9 15.134 -17.305 6.099 1.00 54.54 H new ATOM 0 HA ILE A 9 14.553 -18.202 8.800 1.00 64.42 H new ATOM 0 HB ILE A 9 15.126 -19.676 6.198 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.542 -19.214 7.727 1.00 1.03 H new ATOM 0 HG13 ILE A 9 13.000 -18.423 6.232 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.342 -21.698 7.371 1.00 60.45 H new ATOM 0 HG22 ILE A 9 15.816 -21.031 8.111 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.236 -20.771 8.886 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.431 -20.252 5.810 1.00 23.41 H new ATOM 0 HD12 ILE A 9 13.010 -20.601 5.067 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.545 -21.404 6.586 1.00 23.41 H new ATOM 117 N ILE A 10 16.861 -18.677 9.582 1.00 1.44 N ATOM 118 CA ILE A 10 18.206 -18.903 10.097 1.00 53.14 C ATOM 119 C ILE A 10 18.633 -20.355 9.889 1.00 15.30 C ATOM 120 O ILE A 10 17.807 -21.269 9.951 1.00 44.43 O ATOM 121 CB ILE A 10 18.281 -18.564 11.607 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.704 -17.170 11.870 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.717 -18.642 12.108 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.625 -16.810 13.339 1.00 42.33 C ATOM 0 H ILE A 10 16.155 -18.537 10.305 1.00 1.44 H new ATOM 0 HA ILE A 10 18.881 -18.248 9.546 1.00 53.14 H new ATOM 0 HB ILE A 10 17.687 -19.299 12.151 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.318 -16.430 11.356 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.705 -17.112 11.437 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.745 -18.400 13.170 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.101 -19.650 11.955 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.333 -17.931 11.558 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.207 -15.809 13.446 1.00 42.33 H new ATOM 0 HD12 ILE A 10 16.987 -17.527 13.856 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.624 -16.834 13.774 1.00 42.33 H new ATOM 136 N HIS A 11 19.915 -20.560 9.627 1.00 11.24 N ATOM 137 CA HIS A 11 20.472 -21.902 9.532 1.00 24.14 C ATOM 138 C HIS A 11 20.752 -22.438 10.928 1.00 73.03 C ATOM 139 O HIS A 11 21.237 -21.702 11.784 1.00 11.43 O ATOM 140 CB HIS A 11 21.774 -21.905 8.724 1.00 24.23 C ATOM 141 CG HIS A 11 21.595 -21.685 7.252 1.00 51.10 C ATOM 142 ND1 HIS A 11 21.419 -22.714 6.356 1.00 34.40 N ATOM 143 CD2 HIS A 11 21.585 -20.547 6.521 1.00 73.31 C ATOM 144 CE1 HIS A 11 21.314 -22.220 5.137 1.00 41.44 C ATOM 145 NE2 HIS A 11 21.411 -20.906 5.207 1.00 32.35 N ATOM 0 H HIS A 11 20.592 -19.812 9.476 1.00 11.24 H new ATOM 0 HA HIS A 11 19.745 -22.535 9.023 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.432 -21.130 9.117 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.279 -22.859 8.877 1.00 24.23 H new ATOM 0 HD2 HIS A 11 21.694 -19.542 6.901 1.00 73.31 H new ATOM 0 HE1 HIS A 11 21.172 -22.795 4.234 1.00 41.44 H new ATOM 0 HE2 HIS A 11 21.364 -20.263 4.416 1.00 32.35 H new ATOM 154 N PRO A 12 20.432 -23.712 11.183 1.00 62.10 N ATOM 155 CA PRO A 12 20.725 -24.355 12.468 1.00 31.33 C ATOM 156 C PRO A 12 22.227 -24.450 12.720 1.00 62.52 C ATOM 157 O PRO A 12 22.946 -25.103 11.962 1.00 11.24 O ATOM 158 CB PRO A 12 20.111 -25.754 12.328 1.00 52.40 C ATOM 159 CG PRO A 12 19.161 -25.649 11.182 1.00 51.45 C ATOM 160 CD PRO A 12 19.751 -24.628 10.255 1.00 4.22 C ATOM 0 HA PRO A 12 20.322 -23.793 13.310 1.00 31.33 H new ATOM 0 HB2 PRO A 12 20.878 -26.504 12.136 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.596 -26.051 13.241 1.00 52.40 H new ATOM 0 HG2 PRO A 12 19.044 -26.610 10.682 1.00 51.45 H new ATOM 0 HG3 PRO A 12 18.171 -25.344 11.521 1.00 51.45 H new ATOM 0 HD2 PRO A 12 20.446 -25.077 9.545 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.984 -24.119 9.671 1.00 4.22 H new ATOM 168 N PRO A 13 22.722 -23.774 13.769 1.00 72.42 N ATOM 169 CA PRO A 13 24.149 -23.765 14.098 1.00 11.03 C ATOM 170 C PRO A 13 24.646 -25.140 14.543 1.00 21.12 C ATOM 171 O PRO A 13 25.177 -25.910 13.740 1.00 10.42 O ATOM 172 CB PRO A 13 24.253 -22.746 15.240 1.00 63.12 C ATOM 173 CG PRO A 13 22.884 -22.689 15.832 1.00 12.24 C ATOM 174 CD PRO A 13 21.930 -22.956 14.703 1.00 11.22 C ATOM 0 HA PRO A 13 24.766 -23.509 13.237 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.991 -23.056 15.980 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.564 -21.769 14.870 1.00 63.12 H new ATOM 0 HG2 PRO A 13 22.770 -23.431 16.622 1.00 12.24 H new ATOM 0 HG3 PRO A 13 22.694 -21.714 16.281 1.00 12.24 H new ATOM 0 HD2 PRO A 13 21.041 -23.486 15.046 1.00 11.22 H new ATOM 0 HD3 PRO A 13 21.590 -22.031 14.237 1.00 11.22 H new ATOM 182 N TRP A 14 24.482 -25.438 15.822 1.00 13.53 N ATOM 183 CA TRP A 14 24.780 -26.760 16.341 1.00 55.11 C ATOM 184 C TRP A 14 23.473 -27.522 16.527 1.00 13.40 C ATOM 185 O TRP A 14 22.414 -26.997 16.187 1.00 31.14 O ATOM 186 CB TRP A 14 25.559 -26.665 17.657 1.00 53.25 C ATOM 187 CG TRP A 14 26.383 -27.888 17.931 1.00 30.52 C ATOM 188 CD1 TRP A 14 26.287 -28.723 19.006 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.415 -28.424 17.095 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.205 -29.739 18.894 1.00 11.25 N ATOM 191 CE2 TRP A 14 27.910 -29.578 17.730 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.975 -28.035 15.873 1.00 52.43 C ATOM 193 CZ2 TRP A 14 28.933 -30.347 17.182 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.988 -28.802 15.331 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.459 -29.946 15.985 1.00 71.42 C ATOM 0 H TRP A 14 24.142 -24.778 16.521 1.00 13.53 H new ATOM 0 HA TRP A 14 25.410 -27.298 15.633 1.00 55.11 H new ATOM 0 HB2 TRP A 14 26.211 -25.792 17.626 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.859 -26.512 18.479 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.592 -28.603 19.824 1.00 34.14 H new ATOM 0 HE1 TRP A 14 27.340 -30.492 19.569 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.622 -27.151 15.363 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.299 -31.230 17.685 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.424 -28.514 14.386 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.253 -30.523 15.536 1.00 71.42 H new ATOM 206 N GLU A 15 23.554 -28.751 17.037 1.00 44.34 N ATOM 207 CA GLU A 15 22.369 -29.571 17.287 1.00 22.34 C ATOM 208 C GLU A 15 21.313 -28.811 18.087 1.00 24.33 C ATOM 209 O GLU A 15 21.418 -28.666 19.305 1.00 3.10 O ATOM 210 CB GLU A 15 22.737 -30.857 18.025 1.00 35.12 C ATOM 211 CG GLU A 15 23.412 -31.899 17.152 1.00 53.31 C ATOM 212 CD GLU A 15 23.468 -33.254 17.823 1.00 41.30 C ATOM 213 OE1 GLU A 15 22.400 -33.874 18.005 1.00 63.35 O ATOM 214 OE2 GLU A 15 24.578 -33.708 18.176 1.00 74.13 O1- ATOM 0 H GLU A 15 24.434 -29.203 17.286 1.00 44.34 H new ATOM 0 HA GLU A 15 21.950 -29.823 16.313 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.398 -30.610 18.856 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.833 -31.288 18.455 1.00 35.12 H new ATOM 0 HG2 GLU A 15 22.874 -31.984 16.208 1.00 53.31 H new ATOM 0 HG3 GLU A 15 24.424 -31.571 16.913 1.00 53.31 H new ATOM 221 N GLY A 16 20.308 -28.323 17.382 1.00 71.54 N ATOM 222 CA GLY A 16 19.220 -27.611 18.009 1.00 11.25 C ATOM 223 C GLY A 16 18.108 -27.331 17.026 1.00 0.41 C ATOM 224 O GLY A 16 17.867 -28.119 16.111 1.00 33.22 O ATOM 0 H GLY A 16 20.227 -28.410 16.369 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.832 -28.196 18.843 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.588 -26.672 18.423 1.00 11.25 H new ATOM 228 N GLY A 17 17.432 -26.214 17.205 1.00 23.54 N ATOM 229 CA GLY A 17 16.378 -25.832 16.295 1.00 23.21 C ATOM 230 C GLY A 17 15.774 -24.504 16.678 1.00 4.21 C ATOM 231 O GLY A 17 16.285 -23.823 17.567 1.00 73.45 O ATOM 0 H GLY A 17 17.595 -25.559 17.970 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.774 -25.774 15.281 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.603 -26.598 16.291 1.00 23.21 H new ATOM 235 N ILE A 18 14.682 -24.138 16.035 1.00 13.11 N ATOM 236 CA ILE A 18 14.039 -22.873 16.318 1.00 4.12 C ATOM 237 C ILE A 18 12.592 -23.069 16.725 1.00 21.53 C ATOM 238 O ILE A 18 11.847 -23.827 16.106 1.00 64.33 O ATOM 239 CB ILE A 18 14.139 -21.900 15.123 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.570 -21.380 15.028 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.160 -20.743 15.265 1.00 50.32 C ATOM 242 CD1 ILE A 18 15.803 -20.391 13.903 1.00 70.34 C ATOM 0 H ILE A 18 14.224 -24.698 15.316 1.00 13.11 H new ATOM 0 HA ILE A 18 14.572 -22.426 17.157 1.00 4.12 H new ATOM 0 HB ILE A 18 13.878 -22.434 14.210 1.00 60.43 H new ATOM 0 HG12 ILE A 18 15.835 -20.906 15.973 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.244 -22.227 14.896 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.257 -20.077 14.407 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.142 -21.131 15.310 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.379 -20.191 16.179 1.00 50.32 H new ATOM 0 HD11 ILE A 18 16.846 -20.073 13.908 1.00 70.34 H new ATOM 0 HD12 ILE A 18 15.573 -20.865 12.949 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.158 -19.523 14.042 1.00 70.34 H new ATOM 254 N ARG A 19 12.227 -22.395 17.794 1.00 44.43 N ATOM 255 CA ARG A 19 10.878 -22.412 18.313 1.00 12.34 C ATOM 256 C ARG A 19 10.144 -21.197 17.781 1.00 54.31 C ATOM 257 O ARG A 19 10.674 -20.088 17.816 1.00 14.40 O ATOM 258 CB ARG A 19 10.939 -22.373 19.832 1.00 21.13 C ATOM 259 CG ARG A 19 9.698 -22.904 20.528 1.00 74.22 C ATOM 260 CD ARG A 19 9.480 -24.377 20.232 1.00 2.13 C ATOM 261 NE ARG A 19 8.746 -25.041 21.308 1.00 34.34 N ATOM 262 CZ ARG A 19 7.949 -26.093 21.133 1.00 15.24 C ATOM 263 NH1 ARG A 19 7.738 -26.576 19.917 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 7.361 -26.661 22.174 1.00 45.00 N ATOM 0 H ARG A 19 12.867 -21.813 18.333 1.00 44.43 H new ATOM 0 HA ARG A 19 10.352 -23.315 18.002 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.801 -22.952 20.163 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.105 -21.344 20.150 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.793 -22.758 21.604 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.827 -22.334 20.205 1.00 74.22 H new ATOM 0 HD2 ARG A 19 8.930 -24.483 19.297 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.444 -24.867 20.092 1.00 2.13 H new ATOM 0 HE ARG A 19 8.851 -24.675 22.254 1.00 34.34 H new ATOM 0 HH11 ARG A 19 8.187 -26.142 19.111 1.00 45.21 H new ATOM 0 HH12 ARG A 19 7.127 -27.382 19.787 1.00 45.21 H new ATOM 0 HH21 ARG A 19 7.518 -26.293 23.112 1.00 45.00 H new ATOM 0 HH22 ARG A 19 6.751 -27.467 22.038 1.00 45.00 H new ATOM 278 N TYR A 20 8.942 -21.392 17.283 1.00 74.35 N ATOM 279 CA TYR A 20 8.239 -20.315 16.627 1.00 40.55 C ATOM 280 C TYR A 20 7.148 -19.734 17.515 1.00 34.25 C ATOM 281 O TYR A 20 7.039 -20.072 18.694 1.00 72.21 O ATOM 282 CB TYR A 20 7.680 -20.801 15.289 1.00 12.44 C ATOM 283 CG TYR A 20 8.770 -21.140 14.296 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.249 -22.440 14.173 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.337 -20.155 13.496 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.261 -22.748 13.281 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.346 -20.455 12.598 1.00 52.11 C ATOM 288 CZ TYR A 20 10.805 -21.753 12.495 1.00 34.52 C ATOM 289 OH TYR A 20 11.812 -22.056 11.603 1.00 22.43 O ATOM 0 H TYR A 20 8.437 -22.277 17.320 1.00 74.35 H new ATOM 0 HA TYR A 20 8.945 -19.507 16.434 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.059 -21.681 15.456 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.035 -20.031 14.867 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.824 -23.222 14.784 1.00 24.23 H new ATOM 0 HD2 TYR A 20 8.984 -19.138 13.577 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.623 -23.762 13.200 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.772 -19.678 11.981 1.00 52.11 H new ATOM 0 HH TYR A 20 12.083 -21.243 11.127 1.00 22.43 H new ATOM 299 N ARG A 21 6.342 -18.864 16.933 1.00 4.04 N ATOM 300 CA ARG A 21 5.382 -18.078 17.689 1.00 43.13 C ATOM 301 C ARG A 21 3.960 -18.486 17.322 1.00 4.10 C ATOM 302 O ARG A 21 3.104 -18.663 18.191 1.00 52.41 O ATOM 303 CB ARG A 21 5.610 -16.598 17.377 1.00 74.30 C ATOM 304 CG ARG A 21 4.998 -15.623 18.366 1.00 52.33 C ATOM 305 CD ARG A 21 5.242 -14.199 17.899 1.00 1.31 C ATOM 306 NE ARG A 21 4.929 -13.197 18.914 1.00 72.30 N ATOM 307 CZ ARG A 21 4.623 -11.933 18.625 1.00 63.53 C ATOM 308 NH1 ARG A 21 4.501 -11.553 17.361 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 4.426 -11.054 19.597 1.00 24.04 N ATOM 0 H ARG A 21 6.334 -18.683 15.929 1.00 4.04 H new ATOM 0 HA ARG A 21 5.518 -18.254 18.756 1.00 43.13 H new ATOM 0 HB2 ARG A 21 6.684 -16.415 17.329 1.00 74.30 H new ATOM 0 HB3 ARG A 21 5.206 -16.386 16.387 1.00 74.30 H new ATOM 0 HG2 ARG A 21 3.928 -15.807 18.458 1.00 52.33 H new ATOM 0 HG3 ARG A 21 5.433 -15.771 19.354 1.00 52.33 H new ATOM 0 HD2 ARG A 21 6.286 -14.094 17.605 1.00 1.31 H new ATOM 0 HD3 ARG A 21 4.640 -14.007 17.011 1.00 1.31 H new ATOM 0 HE ARG A 21 4.945 -13.479 19.894 1.00 72.30 H new ATOM 0 HH11 ARG A 21 4.641 -12.228 16.610 1.00 42.32 H new ATOM 0 HH12 ARG A 21 4.267 -10.585 17.140 1.00 42.32 H new ATOM 0 HH21 ARG A 21 4.508 -11.344 20.571 1.00 24.04 H new ATOM 0 HH22 ARG A 21 4.192 -10.087 19.371 1.00 24.04 H new ATOM 323 N GLY A 22 3.726 -18.649 16.028 1.00 11.55 N ATOM 324 CA GLY A 22 2.412 -19.022 15.543 1.00 50.05 C ATOM 325 C GLY A 22 2.490 -19.871 14.293 1.00 71.12 C ATOM 326 O GLY A 22 1.704 -19.698 13.362 1.00 54.54 O ATOM 0 H GLY A 22 4.429 -18.528 15.299 1.00 11.55 H new ATOM 0 HA2 GLY A 22 1.880 -19.570 16.321 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.833 -18.122 15.335 1.00 50.05 H new ATOM 330 N LEU A 23 3.449 -20.784 14.264 1.00 51.01 N ATOM 331 CA LEU A 23 3.619 -21.668 13.124 1.00 52.44 C ATOM 332 C LEU A 23 3.526 -23.122 13.559 1.00 5.12 C ATOM 333 O LEU A 23 4.169 -23.534 14.524 1.00 0.51 O ATOM 334 CB LEU A 23 4.958 -21.413 12.426 1.00 44.13 C ATOM 335 CG LEU A 23 5.071 -20.075 11.688 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.471 -19.898 11.117 1.00 34.31 C ATOM 337 CD2 LEU A 23 4.034 -19.983 10.580 1.00 3.33 C ATOM 0 H LEU A 23 4.121 -20.931 15.017 1.00 51.01 H new ATOM 0 HA LEU A 23 2.817 -21.459 12.416 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.752 -21.466 13.171 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.136 -22.218 11.713 1.00 44.13 H new ATOM 0 HG LEU A 23 4.883 -19.274 12.403 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.533 -18.943 10.596 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.200 -19.918 11.927 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.684 -20.707 10.418 1.00 34.31 H new ATOM 0 HD21 LEU A 23 4.132 -19.025 10.069 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.191 -20.793 9.867 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.035 -20.065 11.009 1.00 3.33 H new ATOM 349 N THR A 24 2.705 -23.885 12.856 1.00 45.31 N ATOM 350 CA THR A 24 2.561 -25.302 13.136 1.00 75.32 C ATOM 351 C THR A 24 3.558 -26.109 12.300 1.00 64.12 C ATOM 352 O THR A 24 4.340 -25.535 11.532 1.00 23.12 O ATOM 353 CB THR A 24 1.115 -25.783 12.876 1.00 73.21 C ATOM 354 OG1 THR A 24 0.927 -27.097 13.421 1.00 0.00 O ATOM 355 CG2 THR A 24 0.797 -25.797 11.387 1.00 12.52 C ATOM 0 H THR A 24 2.128 -23.545 12.087 1.00 45.31 H new ATOM 0 HA THR A 24 2.776 -25.463 14.192 1.00 75.32 H new ATOM 0 HB THR A 24 0.437 -25.084 13.366 1.00 73.21 H new ATOM 0 HG1 THR A 24 0.008 -27.392 13.253 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.227 -26.140 11.237 1.00 12.52 H new ATOM 0 HG22 THR A 24 0.906 -24.791 10.982 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.484 -26.471 10.875 1.00 12.52 H new ATOM 363 N ARG A 25 3.528 -27.431 12.446 1.00 3.14 N ATOM 364 CA ARG A 25 4.499 -28.297 11.790 1.00 73.32 C ATOM 365 C ARG A 25 4.238 -28.421 10.287 1.00 50.00 C ATOM 366 O ARG A 25 3.349 -27.762 9.740 1.00 5.42 O ATOM 367 CB ARG A 25 4.473 -29.685 12.433 1.00 33.05 C ATOM 368 CG ARG A 25 3.091 -30.318 12.460 1.00 24.32 C ATOM 369 CD ARG A 25 3.149 -31.769 12.904 1.00 10.33 C ATOM 370 NE ARG A 25 3.887 -32.601 11.956 1.00 33.14 N ATOM 371 CZ ARG A 25 3.521 -33.836 11.613 1.00 2.41 C ATOM 372 NH1 ARG A 25 2.441 -34.388 12.152 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 4.235 -34.518 10.732 1.00 62.54 N ATOM 0 H ARG A 25 2.840 -27.925 13.014 1.00 3.14 H new ATOM 0 HA ARG A 25 5.482 -27.844 11.918 1.00 73.32 H new ATOM 0 HB2 ARG A 25 5.153 -30.341 11.889 1.00 33.05 H new ATOM 0 HB3 ARG A 25 4.849 -29.611 13.453 1.00 33.05 H new ATOM 0 HG2 ARG A 25 2.446 -29.756 13.135 1.00 24.32 H new ATOM 0 HG3 ARG A 25 2.643 -30.258 11.468 1.00 24.32 H new ATOM 0 HD2 ARG A 25 3.621 -31.830 13.884 1.00 10.33 H new ATOM 0 HD3 ARG A 25 2.136 -32.156 13.014 1.00 10.33 H new ATOM 0 HE ARG A 25 4.731 -32.215 11.532 1.00 33.14 H new ATOM 0 HH11 ARG A 25 1.887 -33.867 12.832 1.00 13.30 H new ATOM 0 HH12 ARG A 25 2.165 -35.333 11.886 1.00 13.30 H new ATOM 0 HH21 ARG A 25 5.066 -34.099 10.315 1.00 62.54 H new ATOM 0 HH22 ARG A 25 3.954 -35.463 10.470 1.00 62.54 H new ATOM 387 N ASP A 26 5.007 -29.307 9.643 1.00 11.55 N ATOM 388 CA ASP A 26 4.991 -29.494 8.181 1.00 13.41 C ATOM 389 C ASP A 26 5.279 -28.181 7.440 1.00 2.54 C ATOM 390 O ASP A 26 5.114 -28.075 6.223 1.00 54.04 O ATOM 391 CB ASP A 26 3.663 -30.098 7.713 1.00 51.21 C ATOM 392 CG ASP A 26 3.729 -30.584 6.275 1.00 14.41 C ATOM 393 OD1 ASP A 26 4.560 -31.475 5.982 1.00 15.50 O ATOM 394 OD2 ASP A 26 2.953 -30.083 5.432 1.00 15.44 O1- ATOM 0 H ASP A 26 5.665 -29.921 10.123 1.00 11.55 H new ATOM 0 HA ASP A 26 5.789 -30.196 7.938 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.395 -30.930 8.364 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.873 -29.352 7.807 1.00 51.21 H new ATOM 399 N GLN A 27 5.743 -27.193 8.180 1.00 2.23 N ATOM 400 CA GLN A 27 6.054 -25.892 7.624 1.00 4.51 C ATOM 401 C GLN A 27 7.495 -25.533 7.946 1.00 2.23 C ATOM 402 O GLN A 27 8.292 -26.420 8.259 1.00 21.25 O ATOM 403 CB GLN A 27 5.103 -24.831 8.189 1.00 41.02 C ATOM 404 CG GLN A 27 3.655 -25.022 7.765 1.00 12.33 C ATOM 405 CD GLN A 27 2.716 -24.008 8.395 1.00 33.35 C ATOM 406 OE1 GLN A 27 1.718 -23.610 7.792 1.00 70.15 O ATOM 407 NE2 GLN A 27 3.011 -23.599 9.621 1.00 42.30 N ATOM 0 H GLN A 27 5.915 -27.270 9.182 1.00 2.23 H new ATOM 0 HA GLN A 27 5.927 -25.926 6.542 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.159 -24.848 9.277 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.440 -23.845 7.868 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.587 -24.948 6.680 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.332 -26.027 8.037 1.00 12.33 H new ATOM 0 HE21 GLN A 27 3.846 -23.951 10.089 1.00 42.30 H new ATOM 0 HE22 GLN A 27 2.403 -22.933 10.097 1.00 42.30 H new ATOM 416 N VAL A 28 7.814 -24.241 7.819 1.00 40.51 N ATOM 417 CA VAL A 28 9.120 -23.663 8.191 1.00 21.23 C ATOM 418 C VAL A 28 10.296 -24.333 7.470 1.00 20.45 C ATOM 419 O VAL A 28 11.458 -24.122 7.822 1.00 35.23 O ATOM 420 CB VAL A 28 9.357 -23.650 9.730 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.118 -23.141 10.455 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.785 -25.011 10.276 1.00 12.44 C ATOM 0 H VAL A 28 7.162 -23.550 7.448 1.00 40.51 H new ATOM 0 HA VAL A 28 9.077 -22.627 7.855 1.00 21.23 H new ATOM 0 HB VAL A 28 10.186 -22.967 9.917 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.301 -23.138 11.530 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.893 -22.128 10.123 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.273 -23.792 10.232 1.00 3.34 H new ATOM 0 HG21 VAL A 28 9.935 -24.940 11.353 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.010 -25.748 10.066 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.716 -25.318 9.799 1.00 12.44 H new ATOM 432 N LYS A 29 9.995 -25.106 6.437 1.00 1.44 N ATOM 433 CA LYS A 29 11.034 -25.727 5.630 1.00 53.22 C ATOM 434 C LYS A 29 11.308 -24.877 4.396 1.00 71.12 C ATOM 435 O LYS A 29 12.419 -24.873 3.861 1.00 33.02 O ATOM 436 CB LYS A 29 10.640 -27.152 5.231 1.00 54.41 C ATOM 437 CG LYS A 29 9.261 -27.263 4.601 1.00 70.52 C ATOM 438 CD LYS A 29 8.949 -28.699 4.212 1.00 33.02 C ATOM 439 CE LYS A 29 7.541 -28.840 3.660 1.00 11.13 C ATOM 440 NZ LYS A 29 7.238 -30.247 3.289 1.00 21.55 N1+ ATOM 0 H LYS A 29 9.043 -25.318 6.139 1.00 1.44 H new ATOM 0 HA LYS A 29 11.946 -25.790 6.224 1.00 53.22 H new ATOM 0 HB2 LYS A 29 11.380 -27.539 4.530 1.00 54.41 H new ATOM 0 HB3 LYS A 29 10.676 -27.788 6.115 1.00 54.41 H new ATOM 0 HG2 LYS A 29 8.508 -26.901 5.301 1.00 70.52 H new ATOM 0 HG3 LYS A 29 9.209 -26.625 3.719 1.00 70.52 H new ATOM 0 HD2 LYS A 29 9.668 -29.038 3.466 1.00 33.02 H new ATOM 0 HD3 LYS A 29 9.065 -29.345 5.082 1.00 33.02 H new ATOM 0 HE2 LYS A 29 6.822 -28.496 4.403 1.00 11.13 H new ATOM 0 HE3 LYS A 29 7.426 -28.200 2.785 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 6.269 -30.307 2.916 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 7.909 -30.567 2.562 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 7.323 -30.854 4.129 1.00 21.55 H new ATOM 454 N ALA A 30 10.290 -24.143 3.964 1.00 52.32 N ATOM 455 CA ALA A 30 10.415 -23.238 2.838 1.00 14.13 C ATOM 456 C ALA A 30 9.492 -22.039 3.015 1.00 61.32 C ATOM 457 O ALA A 30 8.300 -22.105 2.717 1.00 75.11 O ATOM 458 CB ALA A 30 10.117 -23.957 1.532 1.00 4.23 C ATOM 0 H ALA A 30 9.361 -24.161 4.385 1.00 52.32 H new ATOM 0 HA ALA A 30 11.443 -22.879 2.799 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.217 -23.259 0.701 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.820 -24.780 1.401 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.100 -24.349 1.556 1.00 4.23 H new ATOM 464 N ILE A 31 10.045 -20.965 3.550 1.00 25.12 N ATOM 465 CA ILE A 31 9.311 -19.720 3.738 1.00 40.14 C ATOM 466 C ILE A 31 10.160 -18.569 3.216 1.00 74.23 C ATOM 467 O ILE A 31 11.392 -18.642 3.253 1.00 4.24 O ATOM 468 CB ILE A 31 8.958 -19.479 5.231 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.145 -20.654 5.782 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.180 -18.179 5.405 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.789 -20.517 7.250 1.00 3.32 C ATOM 0 H ILE A 31 11.014 -20.928 3.867 1.00 25.12 H new ATOM 0 HA ILE A 31 8.373 -19.784 3.187 1.00 40.14 H new ATOM 0 HB ILE A 31 9.891 -19.399 5.790 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.227 -20.752 5.203 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.711 -21.574 5.639 1.00 11.21 H new ATOM 0 HG21 ILE A 31 7.945 -18.034 6.459 1.00 41.23 H new ATOM 0 HG22 ILE A 31 8.783 -17.344 5.049 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.255 -18.229 4.831 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.214 -21.387 7.568 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.702 -20.450 7.841 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.195 -19.615 7.398 1.00 3.32 H new ATOM 483 N ASN A 32 9.517 -17.530 2.697 1.00 72.34 N ATOM 484 CA ASN A 32 10.243 -16.395 2.149 1.00 15.12 C ATOM 485 C ASN A 32 10.790 -15.535 3.277 1.00 73.04 C ATOM 486 O ASN A 32 12.001 -15.485 3.509 1.00 13.03 O ATOM 487 CB ASN A 32 9.349 -15.538 1.241 1.00 71.30 C ATOM 488 CG ASN A 32 8.582 -16.352 0.217 1.00 3.15 C ATOM 489 OD1 ASN A 32 9.113 -16.716 -0.829 1.00 51.12 O ATOM 490 ND2 ASN A 32 7.314 -16.613 0.504 1.00 22.03 N ATOM 0 H ASN A 32 8.501 -17.451 2.645 1.00 72.34 H new ATOM 0 HA ASN A 32 11.064 -16.786 1.549 1.00 15.12 H new ATOM 0 HB2 ASN A 32 8.642 -14.983 1.858 1.00 71.30 H new ATOM 0 HB3 ASN A 32 9.966 -14.803 0.723 1.00 71.30 H new ATOM 0 HD21 ASN A 32 6.739 -17.136 -0.157 1.00 22.03 H new ATOM 0 HD22 ASN A 32 6.914 -16.291 1.385 1.00 22.03 H new ATOM 497 N PHE A 33 9.889 -14.875 3.990 1.00 4.32 N ATOM 498 CA PHE A 33 10.270 -13.972 5.066 1.00 60.13 C ATOM 499 C PHE A 33 9.301 -14.088 6.235 1.00 71.25 C ATOM 500 O PHE A 33 8.126 -14.409 6.049 1.00 43.02 O ATOM 501 CB PHE A 33 10.294 -12.521 4.570 1.00 25.12 C ATOM 502 CG PHE A 33 11.272 -12.265 3.458 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.833 -12.105 2.154 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.630 -12.186 3.717 1.00 1.10 C ATOM 505 CE1 PHE A 33 11.732 -11.873 1.129 1.00 3.21 C ATOM 506 CE2 PHE A 33 13.534 -11.953 2.698 1.00 62.54 C ATOM 507 CZ PHE A 33 13.084 -11.797 1.401 1.00 65.33 C ATOM 0 H PHE A 33 8.883 -14.949 3.841 1.00 4.32 H new ATOM 0 HA PHE A 33 11.268 -14.254 5.400 1.00 60.13 H new ATOM 0 HB2 PHE A 33 9.295 -12.249 4.230 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.535 -11.867 5.408 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.777 -12.162 1.935 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.987 -12.308 4.729 1.00 1.10 H new ATOM 0 HE1 PHE A 33 11.377 -11.751 0.116 1.00 3.21 H new ATOM 0 HE2 PHE A 33 14.590 -11.893 2.915 1.00 62.54 H new ATOM 0 HZ PHE A 33 13.788 -11.616 0.602 1.00 65.33 H new ATOM 517 N LEU A 34 9.807 -13.843 7.433 1.00 45.21 N ATOM 518 CA LEU A 34 8.972 -13.796 8.623 1.00 44.33 C ATOM 519 C LEU A 34 8.506 -12.365 8.858 1.00 61.32 C ATOM 520 O LEU A 34 9.293 -11.430 8.726 1.00 5.11 O ATOM 521 CB LEU A 34 9.729 -14.314 9.859 1.00 2.10 C ATOM 522 CG LEU A 34 9.973 -15.831 9.916 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.676 -16.596 9.706 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.018 -16.267 8.896 1.00 73.11 C ATOM 0 H LEU A 34 10.797 -13.673 7.608 1.00 45.21 H new ATOM 0 HA LEU A 34 8.110 -14.444 8.465 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.694 -13.809 9.907 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.172 -14.022 10.750 1.00 2.10 H new ATOM 0 HG LEU A 34 10.357 -16.063 10.909 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.874 -17.667 9.751 1.00 10.42 H new ATOM 0 HD12 LEU A 34 7.964 -16.326 10.486 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.259 -16.344 8.731 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.165 -17.345 8.964 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.677 -16.010 7.893 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.960 -15.758 9.100 1.00 73.11 H new ATOM 536 N PRO A 35 7.220 -12.179 9.198 1.00 32.22 N ATOM 537 CA PRO A 35 6.629 -10.847 9.383 1.00 5.03 C ATOM 538 C PRO A 35 7.347 -10.016 10.446 1.00 10.23 C ATOM 539 O PRO A 35 7.793 -10.547 11.471 1.00 63.24 O ATOM 540 CB PRO A 35 5.190 -11.141 9.824 1.00 22.10 C ATOM 541 CG PRO A 35 5.196 -12.566 10.263 1.00 24.21 C ATOM 542 CD PRO A 35 6.236 -13.248 9.424 1.00 34.40 C ATOM 0 HA PRO A 35 6.700 -10.256 8.470 1.00 5.03 H new ATOM 0 HB2 PRO A 35 4.885 -10.481 10.636 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.488 -10.985 9.005 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.434 -12.647 11.324 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.217 -13.023 10.120 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.676 -14.102 9.939 1.00 34.40 H new ATOM 0 HD3 PRO A 35 5.821 -13.621 8.488 1.00 34.40 H new ATOM 550 N VAL A 36 7.443 -8.712 10.196 1.00 60.55 N ATOM 551 CA VAL A 36 8.093 -7.791 11.120 1.00 53.33 C ATOM 552 C VAL A 36 7.250 -7.614 12.390 1.00 1.10 C ATOM 553 O VAL A 36 6.441 -6.691 12.515 1.00 72.31 O ATOM 554 CB VAL A 36 8.392 -6.428 10.444 1.00 4.21 C ATOM 555 CG1 VAL A 36 7.146 -5.847 9.789 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.989 -5.440 11.438 1.00 25.11 C ATOM 0 H VAL A 36 7.075 -8.269 9.354 1.00 60.55 H new ATOM 0 HA VAL A 36 9.051 -8.224 11.409 1.00 53.33 H new ATOM 0 HB VAL A 36 9.129 -6.608 9.661 1.00 4.21 H new ATOM 0 HG11 VAL A 36 7.391 -4.892 9.325 1.00 64.12 H new ATOM 0 HG12 VAL A 36 6.779 -6.537 9.029 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.375 -5.696 10.544 1.00 64.12 H new ATOM 0 HG21 VAL A 36 9.188 -4.494 10.935 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.286 -5.276 12.255 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.921 -5.842 11.836 1.00 25.11 H new ATOM 566 N ASP A 37 7.445 -8.546 13.314 1.00 75.53 N ATOM 567 CA ASP A 37 6.668 -8.640 14.551 1.00 0.24 C ATOM 568 C ASP A 37 6.944 -9.987 15.201 1.00 61.43 C ATOM 569 O ASP A 37 6.866 -10.142 16.416 1.00 74.15 O ATOM 570 CB ASP A 37 5.161 -8.526 14.268 1.00 1.03 C ATOM 571 CG ASP A 37 4.316 -8.572 15.525 1.00 73.54 C ATOM 572 OD1 ASP A 37 3.626 -9.589 15.749 1.00 11.24 O ATOM 573 OD2 ASP A 37 4.327 -7.590 16.291 1.00 24.30 O1- ATOM 0 H ASP A 37 8.158 -9.271 13.227 1.00 75.53 H new ATOM 0 HA ASP A 37 6.961 -7.822 15.209 1.00 0.24 H new ATOM 0 HB2 ASP A 37 4.966 -7.593 13.740 1.00 1.03 H new ATOM 0 HB3 ASP A 37 4.859 -9.337 13.605 1.00 1.03 H new ATOM 578 N TYR A 38 7.286 -10.951 14.355 1.00 64.13 N ATOM 579 CA TYR A 38 7.479 -12.333 14.772 1.00 64.04 C ATOM 580 C TYR A 38 8.663 -12.475 15.729 1.00 13.41 C ATOM 581 O TYR A 38 9.719 -11.875 15.520 1.00 72.14 O ATOM 582 CB TYR A 38 7.701 -13.207 13.535 1.00 31.23 C ATOM 583 CG TYR A 38 7.223 -14.628 13.698 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.029 -15.595 14.283 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.956 -14.999 13.272 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.581 -16.891 14.439 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.504 -16.292 13.421 1.00 74.11 C ATOM 588 CZ TYR A 38 6.319 -17.232 14.005 1.00 52.12 C ATOM 589 OH TYR A 38 5.863 -18.520 14.165 1.00 52.04 O ATOM 0 H TYR A 38 7.437 -10.795 13.358 1.00 64.13 H new ATOM 0 HA TYR A 38 6.585 -12.657 15.304 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.187 -12.756 12.686 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.764 -13.217 13.295 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.020 -15.330 14.621 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.313 -14.261 12.816 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.216 -17.634 14.899 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.516 -16.565 13.081 1.00 74.11 H new ATOM 0 HH TYR A 38 6.434 -19.135 13.659 1.00 52.04 H new ATOM 599 N GLU A 39 8.473 -13.274 16.774 1.00 24.42 N ATOM 600 CA GLU A 39 9.522 -13.559 17.743 1.00 12.31 C ATOM 601 C GLU A 39 9.797 -15.060 17.773 1.00 14.54 C ATOM 602 O GLU A 39 8.865 -15.862 17.702 1.00 3.41 O ATOM 603 CB GLU A 39 9.111 -13.073 19.136 1.00 45.13 C ATOM 604 CG GLU A 39 8.787 -11.589 19.191 1.00 72.52 C ATOM 605 CD GLU A 39 8.383 -11.123 20.575 1.00 31.14 C ATOM 606 OE1 GLU A 39 9.266 -10.706 21.348 1.00 5.53 O ATOM 607 OE2 GLU A 39 7.174 -11.149 20.889 1.00 51.15 O1- ATOM 0 H GLU A 39 7.588 -13.741 16.972 1.00 24.42 H new ATOM 0 HA GLU A 39 10.429 -13.031 17.447 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.240 -13.639 19.467 1.00 45.13 H new ATOM 0 HB3 GLU A 39 9.916 -13.287 19.839 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.656 -11.020 18.861 1.00 72.52 H new ATOM 0 HG3 GLU A 39 7.980 -11.372 18.491 1.00 72.52 H new ATOM 614 N ILE A 40 11.069 -15.435 17.858 1.00 4.54 N ATOM 615 CA ILE A 40 11.448 -16.847 17.865 1.00 42.33 C ATOM 616 C ILE A 40 12.322 -17.200 19.069 1.00 75.11 C ATOM 617 O ILE A 40 12.907 -16.323 19.712 1.00 0.45 O ATOM 618 CB ILE A 40 12.194 -17.254 16.574 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.459 -16.411 16.385 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.278 -17.126 15.367 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.288 -16.816 15.184 1.00 11.34 C ATOM 0 H ILE A 40 11.853 -14.786 17.923 1.00 4.54 H new ATOM 0 HA ILE A 40 10.512 -17.402 17.927 1.00 42.33 H new ATOM 0 HB ILE A 40 12.495 -18.297 16.669 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.175 -15.364 16.282 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.073 -16.488 17.282 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.820 -17.417 14.467 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.413 -17.777 15.496 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.944 -16.093 15.272 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.167 -16.175 15.115 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.604 -17.854 15.293 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.691 -16.712 14.278 1.00 11.34 H new ATOM 633 N GLU A 41 12.409 -18.497 19.345 1.00 61.12 N ATOM 634 CA GLU A 41 13.199 -19.023 20.456 1.00 13.03 C ATOM 635 C GLU A 41 14.201 -20.059 19.936 1.00 60.15 C ATOM 636 O GLU A 41 13.974 -20.678 18.899 1.00 54.15 O ATOM 637 CB GLU A 41 12.263 -19.646 21.507 1.00 74.33 C ATOM 638 CG GLU A 41 12.972 -20.368 22.647 1.00 15.40 C ATOM 639 CD GLU A 41 12.004 -21.020 23.619 1.00 2.52 C ATOM 640 OE1 GLU A 41 12.212 -20.892 24.844 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.032 -21.659 23.168 1.00 65.45 O1- ATOM 0 H GLU A 41 11.932 -19.217 18.803 1.00 61.12 H new ATOM 0 HA GLU A 41 13.756 -18.212 20.925 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.637 -18.859 21.928 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.597 -20.350 21.008 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.634 -21.129 22.234 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.600 -19.659 23.186 1.00 15.40 H new ATOM 648 N TYR A 42 15.308 -20.235 20.644 1.00 75.13 N ATOM 649 CA TYR A 42 16.329 -21.201 20.244 1.00 70.02 C ATOM 650 C TYR A 42 16.235 -22.472 21.079 1.00 70.13 C ATOM 651 O TYR A 42 16.671 -22.496 22.227 1.00 31.24 O ATOM 652 CB TYR A 42 17.732 -20.599 20.375 1.00 71.13 C ATOM 653 CG TYR A 42 17.997 -19.457 19.423 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.479 -19.695 18.142 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.771 -18.141 19.806 1.00 74.53 C ATOM 656 CE1 TYR A 42 18.727 -18.653 17.270 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.018 -17.096 18.939 1.00 60.14 C ATOM 658 CZ TYR A 42 18.497 -17.356 17.673 1.00 71.20 C ATOM 659 OH TYR A 42 18.746 -16.316 16.807 1.00 33.12 O ATOM 0 H TYR A 42 15.525 -19.723 21.499 1.00 75.13 H new ATOM 0 HA TYR A 42 16.150 -21.454 19.199 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.872 -20.247 21.397 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.471 -21.382 20.203 1.00 71.13 H new ATOM 0 HD1 TYR A 42 18.663 -20.710 17.823 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.396 -17.932 20.797 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.100 -18.854 16.276 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.837 -16.078 19.251 1.00 60.14 H new ATOM 0 HH TYR A 42 19.080 -16.671 15.957 1.00 33.12 H new ATOM 669 N VAL A 43 15.649 -23.516 20.513 1.00 14.33 N ATOM 670 CA VAL A 43 15.510 -24.783 21.222 1.00 13.01 C ATOM 671 C VAL A 43 16.624 -25.757 20.839 1.00 43.53 C ATOM 672 O VAL A 43 17.394 -25.503 19.913 1.00 23.35 O ATOM 673 CB VAL A 43 14.136 -25.443 20.980 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.040 -24.652 21.676 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.851 -25.579 19.491 1.00 10.23 C ATOM 0 H VAL A 43 15.263 -23.513 19.569 1.00 14.33 H new ATOM 0 HA VAL A 43 15.589 -24.550 22.284 1.00 13.01 H new ATOM 0 HB VAL A 43 14.157 -26.447 21.405 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.077 -25.129 21.496 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.237 -24.623 22.748 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.020 -23.635 21.284 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.877 -26.047 19.348 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.851 -24.592 19.029 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.621 -26.196 19.028 1.00 10.23 H new ATOM 685 N CYS A 44 16.700 -26.865 21.560 1.00 44.41 N ATOM 686 CA CYS A 44 17.756 -27.851 21.359 1.00 33.42 C ATOM 687 C CYS A 44 17.154 -29.164 20.851 1.00 23.24 C ATOM 688 O CYS A 44 15.933 -29.315 20.823 1.00 51.42 O ATOM 689 CB CYS A 44 18.491 -28.067 22.687 1.00 2.24 C ATOM 690 SG CYS A 44 20.032 -29.040 22.586 1.00 3.51 S ATOM 0 H CYS A 44 16.037 -27.107 22.297 1.00 44.41 H new ATOM 0 HA CYS A 44 18.464 -27.493 20.612 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.725 -27.092 23.115 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.813 -28.565 23.380 1.00 2.24 H new ATOM 695 N ARG A 45 18.001 -30.108 20.446 1.00 62.05 N ATOM 696 CA ARG A 45 17.522 -31.399 19.954 1.00 5.01 C ATOM 697 C ARG A 45 16.991 -32.246 21.104 1.00 54.03 C ATOM 698 O ARG A 45 17.754 -32.695 21.962 1.00 24.32 O ATOM 699 CB ARG A 45 18.640 -32.151 19.229 1.00 71.44 C ATOM 700 CG ARG A 45 19.200 -31.401 18.035 1.00 42.32 C ATOM 701 CD ARG A 45 18.188 -31.286 16.907 1.00 12.32 C ATOM 702 NE ARG A 45 18.320 -32.371 15.936 1.00 32.41 N ATOM 703 CZ ARG A 45 17.506 -32.543 14.896 1.00 70.05 C ATOM 704 NH1 ARG A 45 16.452 -31.748 14.732 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 17.741 -33.515 14.025 1.00 35.41 N ATOM 0 H ARG A 45 19.016 -30.005 20.448 1.00 62.05 H new ATOM 0 HA ARG A 45 16.712 -31.211 19.249 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.448 -32.352 19.933 1.00 71.44 H new ATOM 0 HB3 ARG A 45 18.260 -33.117 18.896 1.00 71.44 H new ATOM 0 HG2 ARG A 45 19.510 -30.404 18.347 1.00 42.32 H new ATOM 0 HG3 ARG A 45 20.091 -31.913 17.671 1.00 42.32 H new ATOM 0 HD2 ARG A 45 17.180 -31.293 17.323 1.00 12.32 H new ATOM 0 HD3 ARG A 45 18.317 -30.329 16.401 1.00 12.32 H new ATOM 0 HE ARG A 45 19.082 -33.037 16.063 1.00 32.41 H new ATOM 0 HH11 ARG A 45 16.265 -31.004 15.404 1.00 54.35 H new ATOM 0 HH12 ARG A 45 15.831 -31.883 13.934 1.00 54.35 H new ATOM 0 HH21 ARG A 45 18.545 -34.130 14.152 1.00 35.41 H new ATOM 0 HH22 ARG A 45 17.118 -33.647 13.228 1.00 35.41 H new ATOM 719 N GLY A 46 15.684 -32.447 21.128 1.00 62.21 N ATOM 720 CA GLY A 46 15.078 -33.239 22.174 1.00 35.13 C ATOM 721 C GLY A 46 14.333 -32.386 23.172 1.00 50.42 C ATOM 722 O GLY A 46 13.281 -31.831 22.855 1.00 24.32 O ATOM 0 H GLY A 46 15.030 -32.074 20.439 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.392 -33.960 21.731 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.850 -33.809 22.690 1.00 35.13 H new ATOM 726 N GLU A 47 14.879 -32.269 24.374 1.00 62.41 N ATOM 727 CA GLU A 47 14.228 -31.516 25.431 1.00 21.42 C ATOM 728 C GLU A 47 15.242 -31.008 26.455 1.00 12.53 C ATOM 729 O GLU A 47 15.051 -31.145 27.663 1.00 4.41 O ATOM 730 CB GLU A 47 13.165 -32.386 26.106 1.00 22.13 C ATOM 731 CG GLU A 47 13.689 -33.709 26.644 1.00 11.01 C ATOM 732 CD GLU A 47 12.576 -34.634 27.066 1.00 54.23 C ATOM 733 OE1 GLU A 47 12.168 -35.482 26.247 1.00 31.03 O ATOM 734 OE2 GLU A 47 12.091 -34.518 28.211 1.00 71.43 O1- ATOM 0 H GLU A 47 15.771 -32.687 24.639 1.00 62.41 H new ATOM 0 HA GLU A 47 13.746 -30.644 24.988 1.00 21.42 H new ATOM 0 HB2 GLU A 47 12.720 -31.824 26.927 1.00 22.13 H new ATOM 0 HB3 GLU A 47 12.369 -32.588 25.389 1.00 22.13 H new ATOM 0 HG2 GLU A 47 14.293 -34.196 25.879 1.00 11.01 H new ATOM 0 HG3 GLU A 47 14.344 -33.519 27.495 1.00 11.01 H new ATOM 741 N ARG A 48 16.306 -30.392 25.966 1.00 3.22 N ATOM 742 CA ARG A 48 17.324 -29.824 26.841 1.00 11.31 C ATOM 743 C ARG A 48 16.958 -28.393 27.208 1.00 51.34 C ATOM 744 O ARG A 48 16.373 -27.670 26.398 1.00 74.21 O ATOM 745 CB ARG A 48 18.686 -29.824 26.145 1.00 14.32 C ATOM 746 CG ARG A 48 19.234 -31.202 25.823 1.00 42.31 C ATOM 747 CD ARG A 48 19.702 -31.931 27.070 1.00 42.54 C ATOM 748 NE ARG A 48 20.325 -33.209 26.739 1.00 62.44 N ATOM 749 CZ ARG A 48 21.458 -33.661 27.277 1.00 10.24 C ATOM 750 NH1 ARG A 48 22.101 -32.943 28.195 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 21.950 -34.829 26.888 1.00 20.12 N ATOM 0 H ARG A 48 16.489 -30.272 24.970 1.00 3.22 H new ATOM 0 HA ARG A 48 17.378 -30.434 27.743 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.606 -29.255 25.219 1.00 14.32 H new ATOM 0 HB3 ARG A 48 19.403 -29.302 26.779 1.00 14.32 H new ATOM 0 HG2 ARG A 48 18.464 -31.792 25.325 1.00 42.31 H new ATOM 0 HG3 ARG A 48 20.065 -31.108 25.124 1.00 42.31 H new ATOM 0 HD2 ARG A 48 20.413 -31.308 27.612 1.00 42.54 H new ATOM 0 HD3 ARG A 48 18.854 -32.099 27.734 1.00 42.54 H new ATOM 0 HE ARG A 48 19.861 -33.798 26.047 1.00 62.44 H new ATOM 0 HH11 ARG A 48 21.727 -32.041 28.491 1.00 25.54 H new ATOM 0 HH12 ARG A 48 22.967 -33.295 28.603 1.00 25.54 H new ATOM 0 HH21 ARG A 48 21.462 -35.378 26.180 1.00 20.12 H new ATOM 0 HH22 ARG A 48 22.817 -35.179 27.297 1.00 20.12 H new ATOM 765 N GLU A 49 17.294 -27.987 28.422 1.00 44.11 N ATOM 766 CA GLU A 49 17.056 -26.619 28.856 1.00 30.02 C ATOM 767 C GLU A 49 18.154 -25.706 28.325 1.00 63.13 C ATOM 768 O GLU A 49 19.319 -25.826 28.707 1.00 72.31 O ATOM 769 CB GLU A 49 16.984 -26.532 30.383 1.00 5.24 C ATOM 770 CG GLU A 49 15.801 -27.274 30.983 1.00 21.11 C ATOM 771 CD GLU A 49 14.480 -26.840 30.378 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.912 -27.610 29.574 1.00 50.41 O ATOM 773 OE2 GLU A 49 14.008 -25.726 30.690 1.00 41.04 O1- ATOM 0 H GLU A 49 17.732 -28.584 29.124 1.00 44.11 H new ATOM 0 HA GLU A 49 16.096 -26.293 28.454 1.00 30.02 H new ATOM 0 HB2 GLU A 49 17.905 -26.934 30.805 1.00 5.24 H new ATOM 0 HB3 GLU A 49 16.930 -25.484 30.676 1.00 5.24 H new ATOM 0 HG2 GLU A 49 15.933 -28.345 30.831 1.00 21.11 H new ATOM 0 HG3 GLU A 49 15.778 -27.105 32.060 1.00 21.11 H new ATOM 780 N VAL A 50 17.782 -24.814 27.426 1.00 34.14 N ATOM 781 CA VAL A 50 18.739 -23.907 26.818 1.00 54.31 C ATOM 782 C VAL A 50 18.809 -22.594 27.594 1.00 4.42 C ATOM 783 O VAL A 50 17.828 -21.854 27.690 1.00 41.03 O ATOM 784 CB VAL A 50 18.397 -23.640 25.330 1.00 15.41 C ATOM 785 CG1 VAL A 50 16.953 -23.185 25.172 1.00 14.02 C ATOM 786 CG2 VAL A 50 19.353 -22.619 24.728 1.00 31.42 C ATOM 0 H VAL A 50 16.823 -24.698 27.100 1.00 34.14 H new ATOM 0 HA VAL A 50 19.718 -24.385 26.857 1.00 54.31 H new ATOM 0 HB VAL A 50 18.515 -24.578 24.788 1.00 15.41 H new ATOM 0 HG11 VAL A 50 16.741 -23.005 24.118 1.00 14.02 H new ATOM 0 HG12 VAL A 50 16.284 -23.959 25.549 1.00 14.02 H new ATOM 0 HG13 VAL A 50 16.798 -22.265 25.735 1.00 14.02 H new ATOM 0 HG21 VAL A 50 19.093 -22.448 23.683 1.00 31.42 H new ATOM 0 HG22 VAL A 50 19.278 -21.681 25.278 1.00 31.42 H new ATOM 0 HG23 VAL A 50 20.374 -22.995 24.791 1.00 31.42 H new ATOM 796 N VAL A 51 19.965 -22.319 28.177 1.00 23.20 N ATOM 797 CA VAL A 51 20.143 -21.086 28.918 1.00 2.24 C ATOM 798 C VAL A 51 20.896 -20.056 28.076 1.00 12.52 C ATOM 799 O VAL A 51 22.122 -20.086 27.945 1.00 73.23 O ATOM 800 CB VAL A 51 20.855 -21.323 30.274 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.154 -22.098 30.096 1.00 24.00 C ATOM 802 CG2 VAL A 51 21.105 -20.001 30.985 1.00 4.13 C ATOM 0 H VAL A 51 20.784 -22.927 28.151 1.00 23.20 H new ATOM 0 HA VAL A 51 19.152 -20.692 29.142 1.00 2.24 H new ATOM 0 HB VAL A 51 20.195 -21.930 30.894 1.00 35.20 H new ATOM 0 HG11 VAL A 51 22.626 -22.246 31.068 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.941 -23.067 29.645 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.827 -21.537 29.448 1.00 24.00 H new ATOM 0 HG21 VAL A 51 21.606 -20.188 31.935 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.735 -19.366 30.362 1.00 4.13 H new ATOM 0 HG23 VAL A 51 20.154 -19.501 31.168 1.00 4.13 H new ATOM 812 N GLY A 52 20.127 -19.179 27.460 1.00 43.00 N ATOM 813 CA GLY A 52 20.679 -18.086 26.700 1.00 12.21 C ATOM 814 C GLY A 52 19.703 -16.937 26.652 1.00 21.54 C ATOM 815 O GLY A 52 18.562 -17.097 27.086 1.00 21.14 O ATOM 0 H GLY A 52 19.108 -19.208 27.475 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.616 -17.758 27.150 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.911 -18.418 25.688 1.00 12.21 H new ATOM 819 N PRO A 53 20.111 -15.767 26.154 1.00 41.45 N ATOM 820 CA PRO A 53 19.179 -14.675 25.875 1.00 13.20 C ATOM 821 C PRO A 53 18.322 -15.001 24.652 1.00 34.33 C ATOM 822 O PRO A 53 18.437 -14.365 23.600 1.00 53.40 O ATOM 823 CB PRO A 53 20.096 -13.482 25.600 1.00 30.31 C ATOM 824 CG PRO A 53 21.378 -14.085 25.134 1.00 70.42 C ATOM 825 CD PRO A 53 21.504 -15.408 25.838 1.00 22.42 C ATOM 0 HA PRO A 53 18.480 -14.489 26.691 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.671 -12.823 24.843 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.245 -12.882 26.498 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.374 -14.219 24.052 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.221 -13.437 25.371 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.977 -16.157 25.202 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.111 -15.326 26.740 1.00 22.42 H new ATOM 833 N LYS A 54 17.469 -16.007 24.798 1.00 53.33 N ATOM 834 CA LYS A 54 16.742 -16.565 23.672 1.00 53.43 C ATOM 835 C LYS A 54 15.469 -15.784 23.368 1.00 54.24 C ATOM 836 O LYS A 54 14.386 -16.102 23.858 1.00 72.35 O ATOM 837 CB LYS A 54 16.418 -18.044 23.934 1.00 14.34 C ATOM 838 CG LYS A 54 15.812 -18.309 25.307 1.00 2.25 C ATOM 839 CD LYS A 54 15.326 -19.743 25.441 1.00 62.01 C ATOM 840 CE LYS A 54 14.647 -19.973 26.781 1.00 22.54 C ATOM 841 NZ LYS A 54 13.914 -21.263 26.812 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.265 -16.453 25.692 1.00 53.33 H new ATOM 0 HA LYS A 54 17.383 -16.488 22.794 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.726 -18.396 23.168 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.332 -18.630 23.832 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.554 -18.103 26.078 1.00 2.25 H new ATOM 0 HG3 LYS A 54 14.980 -17.626 25.475 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.629 -19.970 24.634 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.169 -20.426 25.336 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.394 -19.960 27.574 1.00 22.54 H new ATOM 0 HE3 LYS A 54 13.954 -19.156 26.983 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 13.521 -21.416 27.763 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.140 -21.240 26.117 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.566 -22.039 26.578 1.00 20.32 H new ATOM 855 N VAL A 55 15.613 -14.756 22.557 1.00 2.14 N ATOM 856 CA VAL A 55 14.476 -14.031 22.024 1.00 11.43 C ATOM 857 C VAL A 55 14.914 -13.243 20.799 1.00 43.22 C ATOM 858 O VAL A 55 15.890 -12.495 20.844 1.00 65.24 O ATOM 859 CB VAL A 55 13.844 -13.081 23.079 1.00 34.24 C ATOM 860 CG1 VAL A 55 14.865 -12.093 23.623 1.00 71.14 C ATOM 861 CG2 VAL A 55 12.645 -12.346 22.493 1.00 74.12 C ATOM 0 H VAL A 55 16.518 -14.400 22.249 1.00 2.14 H new ATOM 0 HA VAL A 55 13.710 -14.755 21.747 1.00 11.43 H new ATOM 0 HB VAL A 55 13.501 -13.695 23.912 1.00 34.24 H new ATOM 0 HG11 VAL A 55 14.388 -11.445 24.358 1.00 71.14 H new ATOM 0 HG12 VAL A 55 15.682 -12.638 24.096 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.257 -11.488 22.806 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.218 -11.686 23.248 1.00 74.12 H new ATOM 0 HG22 VAL A 55 12.964 -11.755 21.634 1.00 74.12 H new ATOM 0 HG23 VAL A 55 11.894 -13.070 22.176 1.00 74.12 H new ATOM 871 N ARG A 56 14.210 -13.425 19.698 1.00 3.44 N ATOM 872 CA ARG A 56 14.540 -12.723 18.472 1.00 30.34 C ATOM 873 C ARG A 56 13.291 -12.137 17.857 1.00 34.22 C ATOM 874 O ARG A 56 12.413 -12.870 17.413 1.00 45.24 O ATOM 875 CB ARG A 56 15.223 -13.653 17.467 1.00 31.13 C ATOM 876 CG ARG A 56 16.517 -14.262 17.972 1.00 60.22 C ATOM 877 CD ARG A 56 17.506 -13.192 18.401 1.00 12.52 C ATOM 878 NE ARG A 56 18.744 -13.762 18.926 1.00 73.32 N ATOM 879 CZ ARG A 56 19.258 -13.455 20.117 1.00 41.54 C ATOM 880 NH1 ARG A 56 18.582 -12.693 20.968 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.441 -13.927 20.474 1.00 53.04 N ATOM 0 H ARG A 56 13.408 -14.051 19.627 1.00 3.44 H new ATOM 0 HA ARG A 56 15.234 -11.920 18.722 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.534 -14.456 17.204 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.428 -13.096 16.553 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.306 -14.922 18.813 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.961 -14.876 17.189 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.736 -12.550 17.550 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.048 -12.560 19.162 1.00 12.52 H new ATOM 0 HE ARG A 56 19.245 -14.435 18.347 1.00 73.32 H new ATOM 0 HH11 ARG A 56 17.661 -12.337 20.713 1.00 41.24 H new ATOM 0 HH12 ARG A 56 18.984 -12.464 21.877 1.00 41.24 H new ATOM 0 HH21 ARG A 56 20.964 -14.528 19.837 1.00 53.04 H new ATOM 0 HH22 ARG A 56 20.831 -13.690 21.386 1.00 53.04 H new ATOM 895 N LYS A 57 13.218 -10.823 17.845 1.00 33.31 N ATOM 896 CA LYS A 57 12.083 -10.127 17.274 1.00 4.11 C ATOM 897 C LYS A 57 12.451 -9.610 15.895 1.00 15.33 C ATOM 898 O LYS A 57 13.448 -8.904 15.739 1.00 3.22 O ATOM 899 CB LYS A 57 11.664 -8.976 18.190 1.00 43.11 C ATOM 900 CG LYS A 57 10.416 -8.239 17.736 1.00 71.30 C ATOM 901 CD LYS A 57 10.005 -7.179 18.746 1.00 14.43 C ATOM 902 CE LYS A 57 9.759 -7.793 20.114 1.00 11.33 C ATOM 903 NZ LYS A 57 9.457 -6.771 21.148 1.00 52.31 N1+ ATOM 0 H LYS A 57 13.938 -10.210 18.228 1.00 33.31 H new ATOM 0 HA LYS A 57 11.241 -10.813 17.179 1.00 4.11 H new ATOM 0 HB2 LYS A 57 11.496 -9.368 19.193 1.00 43.11 H new ATOM 0 HB3 LYS A 57 12.487 -8.265 18.260 1.00 43.11 H new ATOM 0 HG2 LYS A 57 10.598 -7.772 16.768 1.00 71.30 H new ATOM 0 HG3 LYS A 57 9.601 -8.949 17.598 1.00 71.30 H new ATOM 0 HD2 LYS A 57 10.784 -6.420 18.819 1.00 14.43 H new ATOM 0 HD3 LYS A 57 9.101 -6.676 18.402 1.00 14.43 H new ATOM 0 HE2 LYS A 57 8.929 -8.497 20.049 1.00 11.33 H new ATOM 0 HE3 LYS A 57 10.637 -8.363 20.416 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 9.297 -7.239 22.063 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 10.259 -6.114 21.231 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 8.603 -6.243 20.875 1.00 52.31 H new ATOM 917 N CYS A 58 11.672 -9.995 14.900 1.00 72.13 N ATOM 918 CA CYS A 58 11.924 -9.574 13.532 1.00 62.31 C ATOM 919 C CYS A 58 11.694 -8.075 13.391 1.00 74.10 C ATOM 920 O CYS A 58 10.592 -7.579 13.642 1.00 14.35 O ATOM 921 CB CYS A 58 11.027 -10.343 12.562 1.00 65.03 C ATOM 922 SG CYS A 58 11.403 -10.031 10.808 1.00 34.12 S ATOM 0 H CYS A 58 10.858 -10.599 15.013 1.00 72.13 H new ATOM 0 HA CYS A 58 12.964 -9.792 13.288 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.124 -11.410 12.760 1.00 65.03 H new ATOM 0 HB3 CYS A 58 9.988 -10.077 12.754 1.00 65.03 H new ATOM 927 N LEU A 59 12.743 -7.362 13.005 1.00 20.31 N ATOM 928 CA LEU A 59 12.681 -5.915 12.871 1.00 35.20 C ATOM 929 C LEU A 59 12.530 -5.524 11.406 1.00 35.41 C ATOM 930 O LEU A 59 12.475 -6.385 10.529 1.00 75.32 O ATOM 931 CB LEU A 59 13.941 -5.275 13.467 1.00 75.13 C ATOM 932 CG LEU A 59 14.210 -5.607 14.938 1.00 73.02 C ATOM 933 CD1 LEU A 59 15.531 -4.999 15.386 1.00 24.20 C ATOM 934 CD2 LEU A 59 13.063 -5.117 15.816 1.00 11.24 C ATOM 0 H LEU A 59 13.652 -7.766 12.778 1.00 20.31 H new ATOM 0 HA LEU A 59 11.811 -5.550 13.417 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.802 -5.589 12.877 1.00 75.13 H new ATOM 0 HB3 LEU A 59 13.862 -4.193 13.364 1.00 75.13 H new ATOM 0 HG LEU A 59 14.279 -6.690 15.042 1.00 73.02 H new ATOM 0 HD11 LEU A 59 15.708 -5.244 16.433 1.00 24.20 H new ATOM 0 HD12 LEU A 59 16.341 -5.401 14.778 1.00 24.20 H new ATOM 0 HD13 LEU A 59 15.492 -3.916 15.268 1.00 24.20 H new ATOM 0 HD21 LEU A 59 13.272 -5.362 16.857 1.00 11.24 H new ATOM 0 HD22 LEU A 59 12.960 -4.037 15.711 1.00 11.24 H new ATOM 0 HD23 LEU A 59 12.136 -5.602 15.508 1.00 11.24 H new ATOM 946 N ALA A 60 12.462 -4.225 11.139 1.00 33.55 N ATOM 947 CA ALA A 60 12.299 -3.737 9.774 1.00 14.42 C ATOM 948 C ALA A 60 13.633 -3.725 9.030 1.00 34.01 C ATOM 949 O ALA A 60 14.123 -2.671 8.616 1.00 3.23 O ATOM 950 CB ALA A 60 11.668 -2.352 9.778 1.00 21.55 C ATOM 0 H ALA A 60 12.517 -3.493 11.847 1.00 33.55 H new ATOM 0 HA ALA A 60 11.632 -4.419 9.246 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.553 -2.002 8.752 1.00 21.55 H new ATOM 0 HB2 ALA A 60 10.690 -2.399 10.257 1.00 21.55 H new ATOM 0 HB3 ALA A 60 12.308 -1.662 10.327 1.00 21.55 H new ATOM 956 N ASN A 61 14.234 -4.901 8.925 1.00 62.21 N ATOM 957 CA ASN A 61 15.457 -5.106 8.164 1.00 25.33 C ATOM 958 C ASN A 61 15.614 -6.595 7.879 1.00 24.31 C ATOM 959 O ASN A 61 14.919 -7.415 8.475 1.00 33.40 O ATOM 960 CB ASN A 61 16.683 -4.546 8.910 1.00 32.31 C ATOM 961 CG ASN A 61 16.906 -5.179 10.269 1.00 74.35 C ATOM 962 OD1 ASN A 61 16.293 -4.780 11.261 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.823 -6.129 10.340 1.00 4.55 N ATOM 0 H ASN A 61 13.882 -5.748 9.371 1.00 62.21 H new ATOM 0 HA ASN A 61 15.390 -4.563 7.221 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.572 -4.698 8.297 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.562 -3.470 9.035 1.00 32.31 H new ATOM 0 HD21 ASN A 61 18.044 -6.558 11.238 1.00 4.55 H new ATOM 0 HD22 ASN A 61 18.309 -6.433 9.496 1.00 4.55 H new ATOM 970 N GLY A 62 16.524 -6.948 6.986 1.00 21.23 N ATOM 971 CA GLY A 62 16.655 -8.334 6.568 1.00 43.34 C ATOM 972 C GLY A 62 17.492 -9.176 7.518 1.00 30.15 C ATOM 973 O GLY A 62 18.236 -10.056 7.082 1.00 74.22 O ATOM 0 H GLY A 62 17.176 -6.302 6.541 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.662 -8.775 6.483 1.00 43.34 H new ATOM 0 HA3 GLY A 62 17.104 -8.365 5.575 1.00 43.34 H new ATOM 977 N SER A 63 17.371 -8.920 8.811 1.00 32.44 N ATOM 978 CA SER A 63 18.125 -9.655 9.818 1.00 55.04 C ATOM 979 C SER A 63 17.409 -9.591 11.161 1.00 64.31 C ATOM 980 O SER A 63 16.613 -8.683 11.403 1.00 34.44 O ATOM 981 CB SER A 63 19.541 -9.085 9.953 1.00 2.41 C ATOM 982 OG SER A 63 20.261 -9.203 8.737 1.00 62.04 O ATOM 0 H SER A 63 16.753 -8.203 9.191 1.00 32.44 H new ATOM 0 HA SER A 63 18.197 -10.696 9.502 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.487 -8.037 10.246 1.00 2.41 H new ATOM 0 HB3 SER A 63 20.073 -9.611 10.746 1.00 2.41 H new ATOM 0 HG SER A 63 21.160 -8.830 8.852 1.00 62.04 H new ATOM 988 N TRP A 64 17.691 -10.553 12.029 1.00 43.33 N ATOM 989 CA TRP A 64 17.074 -10.595 13.346 1.00 43.33 C ATOM 990 C TRP A 64 17.828 -9.687 14.319 1.00 14.23 C ATOM 991 O TRP A 64 18.822 -9.059 13.951 1.00 63.32 O ATOM 992 CB TRP A 64 17.034 -12.034 13.872 1.00 65.43 C ATOM 993 CG TRP A 64 16.187 -12.950 13.037 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.578 -13.651 11.931 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.803 -13.267 13.244 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.521 -14.377 11.433 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.422 -14.159 12.223 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.849 -12.880 14.190 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.131 -14.673 12.126 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.568 -13.392 14.093 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.220 -14.278 13.067 1.00 30.45 C ATOM 0 H TRP A 64 18.344 -11.315 11.844 1.00 43.33 H new ATOM 0 HA TRP A 64 16.050 -10.231 13.261 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.050 -12.427 13.912 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.653 -12.029 14.893 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.572 -13.637 11.509 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.550 -14.979 10.610 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.108 -12.193 14.982 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 12.859 -15.358 11.337 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.824 -13.103 14.821 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.210 -14.658 13.017 1.00 30.45 H new ATOM 1012 N THR A 65 17.345 -9.629 15.556 1.00 64.24 N ATOM 1013 CA THR A 65 17.908 -8.757 16.579 1.00 62.45 C ATOM 1014 C THR A 65 19.404 -9.022 16.803 1.00 71.12 C ATOM 1015 O THR A 65 20.223 -8.107 16.736 1.00 30.41 O ATOM 1016 CB THR A 65 17.158 -8.956 17.907 1.00 0.54 C ATOM 1017 OG1 THR A 65 15.752 -9.117 17.654 1.00 14.20 O ATOM 1018 CG2 THR A 65 17.377 -7.774 18.835 1.00 4.51 C ATOM 0 H THR A 65 16.552 -10.185 15.877 1.00 64.24 H new ATOM 0 HA THR A 65 17.794 -7.731 16.229 1.00 62.45 H new ATOM 0 HB THR A 65 17.548 -9.852 18.389 1.00 0.54 H new ATOM 0 HG1 THR A 65 15.240 -8.636 18.337 1.00 14.20 H new ATOM 0 HG21 THR A 65 16.837 -7.938 19.767 1.00 4.51 H new ATOM 0 HG22 THR A 65 18.441 -7.669 19.046 1.00 4.51 H new ATOM 0 HG23 THR A 65 17.011 -6.865 18.359 1.00 4.51 H new ATOM 1026 N ASP A 66 19.748 -10.276 17.059 1.00 71.12 N ATOM 1027 CA ASP A 66 21.130 -10.662 17.342 1.00 34.33 C ATOM 1028 C ASP A 66 21.378 -12.068 16.831 1.00 13.42 C ATOM 1029 O ASP A 66 20.587 -12.966 17.104 1.00 3.12 O ATOM 1030 CB ASP A 66 21.396 -10.617 18.856 1.00 63.41 C ATOM 1031 CG ASP A 66 22.784 -11.103 19.236 1.00 40.15 C ATOM 1032 OD1 ASP A 66 22.882 -12.054 20.045 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.775 -10.538 18.740 1.00 24.04 O1- ATOM 0 H ASP A 66 19.086 -11.052 17.077 1.00 71.12 H new ATOM 0 HA ASP A 66 21.801 -9.963 16.842 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.267 -9.594 19.210 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.652 -11.228 19.367 1.00 63.41 H new ATOM 1038 N MET A 67 22.440 -12.277 16.068 1.00 22.12 N ATOM 1039 CA MET A 67 22.789 -13.634 15.698 1.00 54.13 C ATOM 1040 C MET A 67 24.276 -13.880 15.893 1.00 53.22 C ATOM 1041 O MET A 67 25.066 -13.840 14.950 1.00 32.02 O ATOM 1042 CB MET A 67 22.391 -13.915 14.242 1.00 11.22 C ATOM 1043 CG MET A 67 20.899 -13.782 13.981 1.00 72.34 C ATOM 1044 SD MET A 67 20.472 -13.953 12.238 1.00 2.02 S ATOM 1045 CE MET A 67 21.398 -12.594 11.523 1.00 10.45 C ATOM 0 H MET A 67 23.055 -11.549 15.704 1.00 22.12 H new ATOM 0 HA MET A 67 22.239 -14.315 16.348 1.00 54.13 H new ATOM 0 HB2 MET A 67 22.928 -13.228 13.588 1.00 11.22 H new ATOM 0 HB3 MET A 67 22.709 -14.923 13.975 1.00 11.22 H new ATOM 0 HG2 MET A 67 20.366 -14.539 14.556 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.558 -12.811 14.340 1.00 72.34 H new ATOM 0 HE1 MET A 67 20.958 -12.318 10.565 1.00 10.45 H new ATOM 0 HE2 MET A 67 21.366 -11.738 12.197 1.00 10.45 H new ATOM 0 HE3 MET A 67 22.434 -12.899 11.372 1.00 10.45 H new ATOM 1055 N ASP A 68 24.630 -14.091 17.147 1.00 24.31 N ATOM 1056 CA ASP A 68 25.887 -14.701 17.551 1.00 2.01 C ATOM 1057 C ASP A 68 25.773 -15.009 19.030 1.00 63.14 C ATOM 1058 O ASP A 68 26.097 -14.166 19.871 1.00 55.15 O ATOM 1059 CB ASP A 68 27.097 -13.800 17.278 1.00 13.54 C ATOM 1060 CG ASP A 68 28.410 -14.527 17.513 1.00 11.43 C ATOM 1061 OD1 ASP A 68 29.172 -14.128 18.421 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.685 -15.511 16.792 1.00 51.53 O1- ATOM 0 H ASP A 68 24.036 -13.836 17.936 1.00 24.31 H new ATOM 0 HA ASP A 68 26.056 -15.605 16.966 1.00 2.01 H new ATOM 0 HB2 ASP A 68 27.059 -13.443 16.249 1.00 13.54 H new ATOM 0 HB3 ASP A 68 27.048 -12.922 17.922 1.00 13.54 H new ATOM 1067 N THR A 69 25.282 -16.178 19.369 1.00 35.52 N ATOM 1068 CA THR A 69 24.865 -16.416 20.737 1.00 74.33 C ATOM 1069 C THR A 69 25.252 -17.809 21.217 1.00 61.54 C ATOM 1070 O THR A 69 24.847 -18.813 20.633 1.00 13.04 O ATOM 1071 CB THR A 69 23.338 -16.226 20.866 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.919 -15.084 20.106 1.00 32.14 O ATOM 1073 CG2 THR A 69 22.928 -16.032 22.316 1.00 22.51 C ATOM 0 H THR A 69 25.162 -16.967 18.734 1.00 35.52 H new ATOM 0 HA THR A 69 25.382 -15.691 21.366 1.00 74.33 H new ATOM 0 HB THR A 69 22.858 -17.126 20.483 1.00 11.41 H new ATOM 0 HG1 THR A 69 23.162 -14.265 20.586 1.00 32.14 H new ATOM 0 HG21 THR A 69 21.847 -15.901 22.374 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.219 -16.907 22.897 1.00 22.51 H new ATOM 0 HG23 THR A 69 23.423 -15.148 22.719 1.00 22.51 H new ATOM 1081 N PRO A 70 26.044 -17.880 22.297 1.00 34.41 N ATOM 1082 CA PRO A 70 26.448 -19.145 22.909 1.00 42.43 C ATOM 1083 C PRO A 70 25.323 -19.749 23.750 1.00 23.34 C ATOM 1084 O PRO A 70 25.478 -19.974 24.951 1.00 64.14 O ATOM 1085 CB PRO A 70 27.638 -18.761 23.804 1.00 61.51 C ATOM 1086 CG PRO A 70 27.893 -17.306 23.567 1.00 11.35 C ATOM 1087 CD PRO A 70 26.621 -16.735 23.009 1.00 41.03 C ATOM 0 HA PRO A 70 26.697 -19.899 22.162 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.411 -18.950 24.853 1.00 61.51 H new ATOM 0 HB3 PRO A 70 28.518 -19.355 23.556 1.00 61.51 H new ATOM 0 HG2 PRO A 70 28.169 -16.805 24.495 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.720 -17.166 22.870 1.00 11.35 H new ATOM 0 HD2 PRO A 70 25.960 -16.372 23.796 1.00 41.03 H new ATOM 0 HD3 PRO A 70 26.812 -15.896 22.340 1.00 41.03 H new ATOM 1095 N SER A 71 24.187 -19.993 23.115 1.00 21.45 N ATOM 1096 CA SER A 71 23.042 -20.574 23.791 1.00 53.41 C ATOM 1097 C SER A 71 23.227 -22.080 23.949 1.00 14.12 C ATOM 1098 O SER A 71 23.055 -22.843 22.996 1.00 73.30 O ATOM 1099 CB SER A 71 21.767 -20.253 23.007 1.00 41.55 C ATOM 1100 OG SER A 71 21.972 -20.432 21.615 1.00 70.34 O ATOM 0 H SER A 71 24.035 -19.795 22.126 1.00 21.45 H new ATOM 0 HA SER A 71 22.954 -20.144 24.789 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.955 -20.897 23.345 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.462 -19.225 23.205 1.00 41.55 H new ATOM 0 HG SER A 71 22.414 -21.292 21.457 1.00 70.34 H new ATOM 1106 N ARG A 72 23.612 -22.495 25.147 1.00 45.03 N ATOM 1107 CA ARG A 72 23.865 -23.900 25.426 1.00 4.44 C ATOM 1108 C ARG A 72 22.597 -24.566 25.943 1.00 75.30 C ATOM 1109 O ARG A 72 21.828 -23.956 26.691 1.00 23.40 O ATOM 1110 CB ARG A 72 24.993 -24.040 26.460 1.00 34.44 C ATOM 1111 CG ARG A 72 24.544 -23.801 27.897 1.00 12.31 C ATOM 1112 CD ARG A 72 25.718 -23.666 28.852 1.00 24.33 C ATOM 1113 NE ARG A 72 26.403 -22.385 28.687 1.00 52.22 N ATOM 1114 CZ ARG A 72 26.486 -21.453 29.639 1.00 64.42 C ATOM 1115 NH1 ARG A 72 25.956 -21.668 30.839 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 27.107 -20.303 29.390 1.00 31.31 N ATOM 0 H ARG A 72 23.756 -21.875 25.944 1.00 45.03 H new ATOM 0 HA ARG A 72 24.172 -24.392 24.503 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.420 -25.040 26.384 1.00 34.44 H new ATOM 0 HB3 ARG A 72 25.787 -23.335 26.215 1.00 34.44 H new ATOM 0 HG2 ARG A 72 23.937 -22.897 27.940 1.00 12.31 H new ATOM 0 HG3 ARG A 72 23.909 -24.626 28.219 1.00 12.31 H new ATOM 0 HD2 ARG A 72 25.365 -23.761 29.879 1.00 24.33 H new ATOM 0 HD3 ARG A 72 26.422 -24.480 28.681 1.00 24.33 H new ATOM 0 HE ARG A 72 26.845 -22.191 27.788 1.00 52.22 H new ATOM 0 HH11 ARG A 72 25.482 -22.549 31.037 1.00 45.44 H new ATOM 0 HH12 ARG A 72 26.023 -20.952 31.562 1.00 45.44 H new ATOM 0 HH21 ARG A 72 27.519 -20.134 28.472 1.00 31.31 H new ATOM 0 HH22 ARG A 72 27.171 -19.590 30.117 1.00 31.31 H new ATOM 1130 N CYS A 73 22.368 -25.803 25.539 1.00 4.41 N ATOM 1131 CA CYS A 73 21.262 -26.574 26.073 1.00 74.22 C ATOM 1132 C CYS A 73 21.791 -27.640 27.021 1.00 15.32 C ATOM 1133 O CYS A 73 22.271 -28.692 26.600 1.00 21.44 O ATOM 1134 CB CYS A 73 20.425 -27.184 24.949 1.00 72.10 C ATOM 1135 SG CYS A 73 21.386 -27.891 23.569 1.00 53.24 S ATOM 0 H CYS A 73 22.932 -26.293 24.845 1.00 4.41 H new ATOM 0 HA CYS A 73 20.604 -25.910 26.634 1.00 74.22 H new ATOM 0 HB2 CYS A 73 19.793 -27.966 25.370 1.00 72.10 H new ATOM 0 HB3 CYS A 73 19.760 -26.416 24.553 1.00 72.10 H new ATOM 1140 N VAL A 74 21.704 -27.347 28.307 1.00 70.53 N ATOM 1141 CA VAL A 74 22.337 -28.163 29.330 1.00 64.52 C ATOM 1142 C VAL A 74 21.302 -28.699 30.323 1.00 43.42 C ATOM 1143 O VAL A 74 20.233 -28.112 30.499 1.00 34.31 O ATOM 1144 CB VAL A 74 23.416 -27.337 30.075 1.00 54.13 C ATOM 1145 CG1 VAL A 74 22.793 -26.156 30.805 1.00 11.41 C ATOM 1146 CG2 VAL A 74 24.215 -28.199 31.041 1.00 43.31 C ATOM 0 H VAL A 74 21.195 -26.541 28.671 1.00 70.53 H new ATOM 0 HA VAL A 74 22.812 -29.015 28.843 1.00 64.52 H new ATOM 0 HB VAL A 74 24.105 -26.953 29.323 1.00 54.13 H new ATOM 0 HG11 VAL A 74 23.573 -25.594 31.319 1.00 11.41 H new ATOM 0 HG12 VAL A 74 22.292 -25.507 30.086 1.00 11.41 H new ATOM 0 HG13 VAL A 74 22.068 -26.520 31.533 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.962 -27.585 31.544 1.00 43.31 H new ATOM 0 HG22 VAL A 74 23.544 -28.634 31.781 1.00 43.31 H new ATOM 0 HG23 VAL A 74 24.713 -28.997 30.490 1.00 43.31 H new ATOM 1156 N ARG A 75 21.611 -29.830 30.942 1.00 64.45 N ATOM 1157 CA ARG A 75 20.756 -30.406 31.965 1.00 54.13 C ATOM 1158 C ARG A 75 21.563 -31.367 32.827 1.00 45.21 C ATOM 1159 O ARG A 75 21.921 -30.994 33.960 1.00 37.22 O ATOM 1160 CB ARG A 75 19.565 -31.139 31.350 1.00 55.34 C ATOM 1161 CG ARG A 75 18.545 -31.573 32.388 1.00 43.51 C ATOM 1162 CD ARG A 75 17.528 -32.545 31.817 1.00 51.22 C ATOM 1163 NE ARG A 75 16.454 -32.820 32.769 1.00 74.41 N ATOM 1164 CZ ARG A 75 16.516 -33.744 33.731 1.00 23.14 C ATOM 1165 NH1 ARG A 75 17.616 -34.470 33.895 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 15.479 -33.932 34.543 1.00 4.05 N ATOM 1167 OXT ARG A 75 21.859 -32.485 32.352 1.00 37.22 O ATOM 0 H ARG A 75 22.455 -30.369 30.750 1.00 64.45 H new ATOM 0 HA ARG A 75 20.370 -29.593 32.580 1.00 54.13 H new ATOM 0 HB2 ARG A 75 19.081 -30.490 30.620 1.00 55.34 H new ATOM 0 HB3 ARG A 75 19.923 -32.015 30.809 1.00 55.34 H new ATOM 0 HG2 ARG A 75 19.059 -32.039 33.228 1.00 43.51 H new ATOM 0 HG3 ARG A 75 18.029 -30.696 32.777 1.00 43.51 H new ATOM 0 HD2 ARG A 75 17.106 -32.134 30.900 1.00 51.22 H new ATOM 0 HD3 ARG A 75 18.025 -33.477 31.549 1.00 51.22 H new ATOM 0 HE ARG A 75 15.599 -32.269 32.694 1.00 74.41 H new ATOM 0 HH11 ARG A 75 18.420 -34.323 33.284 1.00 33.54 H new ATOM 0 HH12 ARG A 75 17.657 -35.174 34.632 1.00 33.54 H new ATOM 0 HH21 ARG A 75 14.635 -33.370 34.431 1.00 4.05 H new ATOM 0 HH22 ARG A 75 15.528 -34.638 35.277 1.00 4.05 H new TER 1181 ARG A 75