USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 565 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 4 SER OG : rot 25:sc= 0.11 USER MOD Single : A 8 GLN : amide:sc= 0.542 K(o=0.54,f=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.816 X(o=-0.82,f=-0.71) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 27 GLN : amide:sc= -0.666 K(o=-0.67,f=-0.00022) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.524 USER MOD Single : A 42 TYR OH : rot 0:sc= 0.948 USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 0.423 (180deg=-1.32!) USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= 2.07 (180deg=0.637) USER MOD Single : A 61 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.3) USER MOD Single : A 63 SER OG : rot -10:sc= 1.06 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 67 MET CE :methyl 167:sc= -0.21 (180deg=-0.61) USER MOD Single : A 69 THR OG1 : rot -158:sc= 0.913 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0812 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 9.391 -4.683 0.742 1.00 71.02 N ATOM 39 CA SER A 4 9.523 -6.016 1.300 1.00 42.34 C ATOM 40 C SER A 4 10.293 -5.952 2.612 1.00 25.41 C ATOM 41 O SER A 4 11.522 -5.895 2.624 1.00 72.11 O ATOM 42 CB SER A 4 10.236 -6.937 0.305 1.00 74.12 C ATOM 43 OG SER A 4 9.556 -6.957 -0.943 1.00 34.13 O ATOM 0 HA SER A 4 8.530 -6.421 1.494 1.00 42.34 H new ATOM 0 HB2 SER A 4 11.262 -6.598 0.160 1.00 74.12 H new ATOM 0 HB3 SER A 4 10.289 -7.947 0.711 1.00 74.12 H new ATOM 0 HG SER A 4 9.051 -6.124 -1.054 1.00 34.13 H new ATOM 49 N GLU A 5 9.559 -5.947 3.714 1.00 73.11 N ATOM 50 CA GLU A 5 10.163 -5.835 5.030 1.00 2.22 C ATOM 51 C GLU A 5 9.962 -7.135 5.797 1.00 63.11 C ATOM 52 O GLU A 5 8.882 -7.381 6.343 1.00 33.12 O ATOM 53 CB GLU A 5 9.527 -4.674 5.802 1.00 74.03 C ATOM 54 CG GLU A 5 9.387 -3.385 4.997 1.00 3.23 C ATOM 55 CD GLU A 5 10.716 -2.734 4.665 1.00 61.35 C ATOM 56 OE1 GLU A 5 11.197 -2.891 3.523 1.00 21.51 O ATOM 57 OE2 GLU A 5 11.269 -2.031 5.533 1.00 22.25 O1- ATOM 0 H GLU A 5 8.542 -6.019 3.722 1.00 73.11 H new ATOM 0 HA GLU A 5 11.230 -5.643 4.918 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.540 -4.981 6.148 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.127 -4.471 6.689 1.00 74.03 H new ATOM 0 HG2 GLU A 5 8.855 -3.600 4.070 1.00 3.23 H new ATOM 0 HG3 GLU A 5 8.776 -2.679 5.559 1.00 3.23 H new ATOM 64 N GLY A 6 10.979 -7.983 5.802 1.00 13.15 N ATOM 65 CA GLY A 6 10.877 -9.247 6.497 1.00 42.42 C ATOM 66 C GLY A 6 12.226 -9.878 6.762 1.00 52.24 C ATOM 67 O GLY A 6 13.181 -9.648 6.018 1.00 3.43 O ATOM 0 H GLY A 6 11.872 -7.818 5.337 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.359 -9.095 7.444 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.269 -9.933 5.907 1.00 42.42 H new ATOM 71 N CYS A 7 12.303 -10.674 7.814 1.00 10.20 N ATOM 72 CA CYS A 7 13.523 -11.398 8.141 1.00 70.11 C ATOM 73 C CYS A 7 13.519 -12.761 7.458 1.00 4.44 C ATOM 74 O CYS A 7 12.464 -13.354 7.269 1.00 72.14 O ATOM 75 CB CYS A 7 13.643 -11.568 9.655 1.00 4.33 C ATOM 76 SG CYS A 7 13.581 -9.999 10.587 1.00 21.12 S ATOM 0 H CYS A 7 11.531 -10.837 8.461 1.00 10.20 H new ATOM 0 HA CYS A 7 14.380 -10.827 7.783 1.00 70.11 H new ATOM 0 HB2 CYS A 7 12.839 -12.217 10.002 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.581 -12.075 9.880 1.00 4.33 H new ATOM 81 N GLN A 8 14.690 -13.253 7.081 1.00 15.12 N ATOM 82 CA GLN A 8 14.785 -14.545 6.406 1.00 64.14 C ATOM 83 C GLN A 8 14.850 -15.686 7.420 1.00 64.22 C ATOM 84 O GLN A 8 14.835 -15.455 8.633 1.00 1.10 O ATOM 85 CB GLN A 8 16.020 -14.602 5.508 1.00 50.41 C ATOM 86 CG GLN A 8 17.327 -14.499 6.277 1.00 43.35 C ATOM 87 CD GLN A 8 18.518 -14.965 5.465 1.00 51.10 C ATOM 88 OE1 GLN A 8 19.151 -14.180 4.762 1.00 41.23 O ATOM 89 NE2 GLN A 8 18.827 -16.250 5.555 1.00 23.50 N ATOM 0 H GLN A 8 15.583 -12.783 7.228 1.00 15.12 H new ATOM 0 HA GLN A 8 13.891 -14.659 5.794 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.010 -15.536 4.946 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.970 -13.792 4.780 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.483 -13.465 6.584 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.257 -15.095 7.187 1.00 43.35 H new ATOM 0 HE21 GLN A 8 18.275 -16.867 6.151 1.00 23.50 H new ATOM 0 HE22 GLN A 8 19.617 -16.623 5.029 1.00 23.50 H new ATOM 98 N ILE A 9 14.948 -16.908 6.913 1.00 54.54 N ATOM 99 CA ILE A 9 15.087 -18.084 7.759 1.00 64.42 C ATOM 100 C ILE A 9 16.557 -18.351 8.056 1.00 73.43 C ATOM 101 O ILE A 9 17.395 -18.356 7.149 1.00 71.43 O ATOM 102 CB ILE A 9 14.462 -19.337 7.099 1.00 54.42 C ATOM 103 CG1 ILE A 9 12.944 -19.191 7.004 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.825 -20.603 7.866 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.263 -20.396 6.391 1.00 23.41 C ATOM 0 H ILE A 9 14.934 -17.110 5.913 1.00 54.54 H new ATOM 0 HA ILE A 9 14.554 -17.882 8.688 1.00 64.42 H new ATOM 0 HB ILE A 9 14.870 -19.423 6.092 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.539 -19.022 8.002 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.707 -18.308 6.411 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.372 -21.466 7.379 1.00 60.45 H new ATOM 0 HG22 ILE A 9 15.908 -20.722 7.880 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.455 -20.528 8.888 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.187 -20.226 6.354 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.641 -20.553 5.381 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.470 -21.278 6.997 1.00 23.41 H new ATOM 117 N ILE A 10 16.860 -18.547 9.330 1.00 1.44 N ATOM 118 CA ILE A 10 18.218 -18.834 9.769 1.00 53.14 C ATOM 119 C ILE A 10 18.605 -20.255 9.388 1.00 15.30 C ATOM 120 O ILE A 10 17.811 -21.184 9.539 1.00 44.43 O ATOM 121 CB ILE A 10 18.356 -18.642 11.298 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.980 -17.206 11.678 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.772 -18.968 11.763 1.00 25.05 C ATOM 124 CD1 ILE A 10 18.021 -16.931 13.166 1.00 42.33 C ATOM 0 H ILE A 10 16.176 -18.512 10.086 1.00 1.44 H new ATOM 0 HA ILE A 10 18.890 -18.135 9.271 1.00 53.14 H new ATOM 0 HB ILE A 10 17.674 -19.330 11.798 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.658 -16.518 11.173 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.977 -16.994 11.307 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.843 -18.825 12.841 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.006 -20.004 11.518 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.480 -18.308 11.262 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.742 -15.894 13.352 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.321 -17.592 13.678 1.00 42.33 H new ATOM 0 HD13 ILE A 10 19.029 -17.109 13.541 1.00 42.33 H new ATOM 136 N HIS A 11 19.816 -20.409 8.877 1.00 11.24 N ATOM 137 CA HIS A 11 20.303 -21.702 8.430 1.00 24.14 C ATOM 138 C HIS A 11 20.513 -22.625 9.633 1.00 73.03 C ATOM 139 O HIS A 11 21.007 -22.180 10.669 1.00 11.43 O ATOM 140 CB HIS A 11 21.610 -21.514 7.655 1.00 24.23 C ATOM 141 CG HIS A 11 21.845 -22.558 6.608 1.00 51.10 C ATOM 142 ND1 HIS A 11 22.867 -23.477 6.670 1.00 34.40 N ATOM 143 CD2 HIS A 11 21.180 -22.815 5.459 1.00 73.31 C ATOM 144 CE1 HIS A 11 22.822 -24.255 5.606 1.00 41.44 C ATOM 145 NE2 HIS A 11 21.809 -23.873 4.856 1.00 32.35 N ATOM 0 H HIS A 11 20.484 -19.647 8.761 1.00 11.24 H new ATOM 0 HA HIS A 11 19.567 -22.162 7.771 1.00 24.14 H new ATOM 0 HB2 HIS A 11 21.603 -20.532 7.181 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.443 -21.523 8.358 1.00 24.23 H new ATOM 0 HD2 HIS A 11 20.315 -22.286 5.086 1.00 73.31 H new ATOM 0 HE1 HIS A 11 23.500 -25.067 5.387 1.00 41.44 H new ATOM 0 HE2 HIS A 11 21.536 -24.296 3.969 1.00 32.35 H new ATOM 154 N PRO A 12 20.118 -23.911 9.507 1.00 62.10 N ATOM 155 CA PRO A 12 20.190 -24.898 10.596 1.00 31.33 C ATOM 156 C PRO A 12 21.472 -24.810 11.426 1.00 62.52 C ATOM 157 O PRO A 12 22.576 -24.968 10.903 1.00 11.24 O ATOM 158 CB PRO A 12 20.130 -26.227 9.852 1.00 52.40 C ATOM 159 CG PRO A 12 19.291 -25.944 8.655 1.00 51.45 C ATOM 160 CD PRO A 12 19.557 -24.509 8.277 1.00 4.22 C ATOM 0 HA PRO A 12 19.394 -24.745 11.324 1.00 31.33 H new ATOM 0 HB2 PRO A 12 21.125 -26.569 9.568 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.689 -27.009 10.470 1.00 52.40 H new ATOM 0 HG2 PRO A 12 19.546 -26.615 7.835 1.00 51.45 H new ATOM 0 HG3 PRO A 12 18.235 -26.098 8.876 1.00 51.45 H new ATOM 0 HD2 PRO A 12 20.257 -24.439 7.444 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.643 -24.002 7.968 1.00 4.22 H new ATOM 168 N PRO A 13 21.330 -24.533 12.732 1.00 72.42 N ATOM 169 CA PRO A 13 22.458 -24.407 13.647 1.00 11.03 C ATOM 170 C PRO A 13 22.878 -25.747 14.256 1.00 21.12 C ATOM 171 O PRO A 13 22.735 -26.801 13.634 1.00 10.42 O ATOM 172 CB PRO A 13 21.898 -23.477 14.719 1.00 63.12 C ATOM 173 CG PRO A 13 20.449 -23.820 14.795 1.00 12.24 C ATOM 174 CD PRO A 13 20.044 -24.295 13.420 1.00 11.22 C ATOM 0 HA PRO A 13 23.359 -24.041 13.155 1.00 11.03 H new ATOM 0 HB2 PRO A 13 22.393 -23.633 15.677 1.00 63.12 H new ATOM 0 HB3 PRO A 13 22.044 -22.430 14.452 1.00 63.12 H new ATOM 0 HG2 PRO A 13 20.273 -24.596 15.540 1.00 12.24 H new ATOM 0 HG3 PRO A 13 19.861 -22.952 15.094 1.00 12.24 H new ATOM 0 HD2 PRO A 13 19.445 -25.204 13.472 1.00 11.22 H new ATOM 0 HD3 PRO A 13 19.445 -23.548 12.900 1.00 11.22 H new ATOM 182 N TRP A 14 23.389 -25.688 15.481 1.00 13.53 N ATOM 183 CA TRP A 14 23.882 -26.868 16.185 1.00 55.11 C ATOM 184 C TRP A 14 22.711 -27.720 16.692 1.00 13.40 C ATOM 185 O TRP A 14 21.552 -27.390 16.441 1.00 31.14 O ATOM 186 CB TRP A 14 24.767 -26.424 17.357 1.00 53.25 C ATOM 187 CG TRP A 14 25.869 -27.387 17.689 1.00 30.52 C ATOM 188 CD1 TRP A 14 25.890 -28.303 18.701 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.118 -27.521 17.000 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.074 -28.998 18.681 1.00 11.25 N ATOM 191 CE2 TRP A 14 27.845 -28.537 17.646 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.692 -26.881 15.897 1.00 52.43 C ATOM 193 CZ2 TRP A 14 29.111 -28.927 17.226 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.950 -27.269 15.481 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.648 -28.284 16.143 1.00 71.42 C ATOM 0 H TRP A 14 23.473 -24.822 16.014 1.00 13.53 H new ATOM 0 HA TRP A 14 24.470 -27.477 15.498 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.205 -25.454 17.121 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.142 -26.285 18.239 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.093 -28.458 19.413 1.00 34.14 H new ATOM 0 HE1 TRP A 14 27.337 -29.738 19.332 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.160 -26.096 15.379 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.652 -29.710 17.736 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.402 -26.781 14.631 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.630 -28.566 15.793 1.00 71.42 H new ATOM 206 N GLU A 15 23.034 -28.823 17.374 1.00 44.34 N ATOM 207 CA GLU A 15 22.037 -29.717 17.978 1.00 22.34 C ATOM 208 C GLU A 15 20.959 -28.947 18.742 1.00 24.33 C ATOM 209 O GLU A 15 21.177 -28.515 19.876 1.00 3.10 O ATOM 210 CB GLU A 15 22.726 -30.700 18.930 1.00 35.12 C ATOM 211 CG GLU A 15 23.439 -31.841 18.227 1.00 53.31 C ATOM 212 CD GLU A 15 22.509 -32.991 17.893 1.00 41.30 C ATOM 213 OE1 GLU A 15 22.400 -33.926 18.715 1.00 63.35 O ATOM 214 OE2 GLU A 15 21.883 -32.974 16.813 1.00 74.13 O1- ATOM 0 H GLU A 15 23.997 -29.123 17.524 1.00 44.34 H new ATOM 0 HA GLU A 15 21.552 -30.256 17.164 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.447 -30.155 19.540 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.982 -31.114 19.610 1.00 35.12 H new ATOM 0 HG2 GLU A 15 23.895 -31.469 17.310 1.00 53.31 H new ATOM 0 HG3 GLU A 15 24.248 -32.205 18.861 1.00 53.31 H new ATOM 221 N GLY A 16 19.808 -28.783 18.108 1.00 71.54 N ATOM 222 CA GLY A 16 18.705 -28.063 18.710 1.00 11.25 C ATOM 223 C GLY A 16 17.636 -27.743 17.691 1.00 0.41 C ATOM 224 O GLY A 16 17.543 -28.414 16.660 1.00 33.22 O ATOM 0 H GLY A 16 19.617 -29.142 17.173 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.276 -28.659 19.516 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.072 -27.139 19.157 1.00 11.25 H new ATOM 228 N GLY A 17 16.836 -26.723 17.965 1.00 23.54 N ATOM 229 CA GLY A 17 15.810 -26.318 17.025 1.00 23.21 C ATOM 230 C GLY A 17 15.367 -24.889 17.253 1.00 4.21 C ATOM 231 O GLY A 17 15.966 -24.168 18.054 1.00 73.45 O ATOM 0 H GLY A 17 16.878 -26.169 18.820 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.188 -26.423 16.008 1.00 23.21 H new ATOM 0 HA3 GLY A 17 14.951 -26.983 17.116 1.00 23.21 H new ATOM 235 N ILE A 18 14.310 -24.478 16.567 1.00 13.11 N ATOM 236 CA ILE A 18 13.812 -23.120 16.692 1.00 4.12 C ATOM 237 C ILE A 18 12.320 -23.097 16.961 1.00 21.53 C ATOM 238 O ILE A 18 11.533 -23.770 16.295 1.00 64.33 O ATOM 239 CB ILE A 18 14.153 -22.264 15.451 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.635 -21.902 15.490 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.291 -21.005 15.387 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.082 -20.993 14.363 1.00 70.34 C ATOM 0 H ILE A 18 13.783 -25.065 15.920 1.00 13.11 H new ATOM 0 HA ILE A 18 14.319 -22.678 17.550 1.00 4.12 H new ATOM 0 HB ILE A 18 13.941 -22.844 14.553 1.00 60.43 H new ATOM 0 HG12 ILE A 18 15.854 -21.417 16.441 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.223 -22.819 15.457 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.557 -20.426 14.502 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.239 -21.286 15.334 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.461 -20.402 16.279 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.147 -20.784 14.464 1.00 70.34 H new ATOM 0 HD12 ILE A 18 15.897 -21.482 13.406 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.523 -20.058 14.406 1.00 70.34 H new ATOM 254 N ARG A 19 11.962 -22.319 17.959 1.00 44.43 N ATOM 255 CA ARG A 19 10.593 -22.182 18.403 1.00 12.34 C ATOM 256 C ARG A 19 9.963 -20.945 17.779 1.00 54.31 C ATOM 257 O ARG A 19 10.271 -19.821 18.171 1.00 14.40 O ATOM 258 CB ARG A 19 10.593 -22.066 19.924 1.00 21.13 C ATOM 259 CG ARG A 19 9.221 -22.172 20.583 1.00 74.22 C ATOM 260 CD ARG A 19 8.571 -23.529 20.358 1.00 2.13 C ATOM 261 NE ARG A 19 7.778 -23.576 19.130 1.00 34.34 N ATOM 262 CZ ARG A 19 7.115 -24.660 18.718 1.00 15.24 C ATOM 263 NH1 ARG A 19 7.186 -25.795 19.407 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 6.383 -24.613 17.614 1.00 45.00 N ATOM 0 H ARG A 19 12.624 -21.756 18.492 1.00 44.43 H new ATOM 0 HA ARG A 19 10.010 -23.051 18.097 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.236 -22.846 20.332 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.038 -21.110 20.200 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.321 -21.993 21.654 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.571 -21.391 20.189 1.00 74.22 H new ATOM 0 HD2 ARG A 19 9.345 -24.296 20.316 1.00 2.13 H new ATOM 0 HD3 ARG A 19 7.932 -23.767 21.208 1.00 2.13 H new ATOM 0 HE ARG A 19 7.728 -22.734 18.556 1.00 34.34 H new ATOM 0 HH11 ARG A 19 7.749 -25.842 20.256 1.00 45.21 H new ATOM 0 HH12 ARG A 19 6.677 -26.619 19.087 1.00 45.21 H new ATOM 0 HH21 ARG A 19 6.325 -23.748 17.077 1.00 45.00 H new ATOM 0 HH22 ARG A 19 5.878 -25.442 17.301 1.00 45.00 H new ATOM 278 N TYR A 20 9.111 -21.152 16.787 1.00 74.35 N ATOM 279 CA TYR A 20 8.411 -20.045 16.146 1.00 40.55 C ATOM 280 C TYR A 20 7.211 -19.619 16.992 1.00 34.25 C ATOM 281 O TYR A 20 7.031 -20.111 18.110 1.00 72.21 O ATOM 282 CB TYR A 20 7.956 -20.451 14.742 1.00 12.44 C ATOM 283 CG TYR A 20 9.093 -20.783 13.795 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.586 -22.079 13.696 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.667 -19.802 12.997 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.617 -22.386 12.827 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.698 -20.100 12.127 1.00 52.11 C ATOM 288 CZ TYR A 20 11.169 -21.392 12.045 1.00 34.52 C ATOM 289 OH TYR A 20 12.194 -21.694 11.176 1.00 22.43 O ATOM 0 H TYR A 20 8.887 -22.072 16.408 1.00 74.35 H new ATOM 0 HA TYR A 20 9.094 -19.200 16.060 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.298 -21.317 14.821 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.366 -19.640 14.314 1.00 12.44 H new ATOM 0 HD1 TYR A 20 9.157 -22.859 14.308 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.301 -18.788 13.058 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.988 -23.398 12.761 1.00 54.01 H new ATOM 0 HE2 TYR A 20 11.133 -19.324 11.514 1.00 52.11 H new ATOM 0 HH TYR A 20 12.469 -20.883 10.699 1.00 22.43 H new ATOM 299 N ARG A 21 6.377 -18.739 16.451 1.00 4.04 N ATOM 300 CA ARG A 21 5.214 -18.249 17.187 1.00 43.13 C ATOM 301 C ARG A 21 4.089 -19.277 17.149 1.00 4.10 C ATOM 302 O ARG A 21 3.729 -19.851 18.175 1.00 52.41 O ATOM 303 CB ARG A 21 4.724 -16.913 16.616 1.00 74.30 C ATOM 304 CG ARG A 21 3.511 -16.348 17.341 1.00 52.33 C ATOM 305 CD ARG A 21 2.951 -15.125 16.631 1.00 1.31 C ATOM 306 NE ARG A 21 3.895 -14.004 16.601 1.00 72.30 N ATOM 307 CZ ARG A 21 3.759 -12.938 15.804 1.00 63.53 C ATOM 308 NH1 ARG A 21 2.729 -12.857 14.968 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 4.644 -11.948 15.845 1.00 24.04 N ATOM 0 H ARG A 21 6.481 -18.352 15.513 1.00 4.04 H new ATOM 0 HA ARG A 21 5.515 -18.090 18.223 1.00 43.13 H new ATOM 0 HB2 ARG A 21 5.536 -16.187 16.664 1.00 74.30 H new ATOM 0 HB3 ARG A 21 4.478 -17.046 15.563 1.00 74.30 H new ATOM 0 HG2 ARG A 21 2.739 -17.114 17.410 1.00 52.33 H new ATOM 0 HG3 ARG A 21 3.788 -16.082 18.361 1.00 52.33 H new ATOM 0 HD2 ARG A 21 2.682 -15.395 15.610 1.00 1.31 H new ATOM 0 HD3 ARG A 21 2.034 -14.809 17.129 1.00 1.31 H new ATOM 0 HE ARG A 21 4.702 -14.039 17.224 1.00 72.30 H new ATOM 0 HH11 ARG A 21 2.040 -13.608 14.933 1.00 42.32 H new ATOM 0 HH12 ARG A 21 2.627 -12.043 14.361 1.00 42.32 H new ATOM 0 HH21 ARG A 21 5.435 -11.997 16.488 1.00 24.04 H new ATOM 0 HH22 ARG A 21 4.533 -11.139 15.234 1.00 24.04 H new ATOM 323 N GLY A 22 3.554 -19.528 15.961 1.00 11.55 N ATOM 324 CA GLY A 22 2.460 -20.470 15.833 1.00 50.05 C ATOM 325 C GLY A 22 2.638 -21.398 14.653 1.00 71.12 C ATOM 326 O GLY A 22 1.669 -21.755 13.983 1.00 54.54 O ATOM 0 H GLY A 22 3.857 -19.098 15.087 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.381 -21.059 16.747 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.523 -19.923 15.725 1.00 50.05 H new ATOM 330 N LEU A 23 3.876 -21.802 14.402 1.00 51.01 N ATOM 331 CA LEU A 23 4.174 -22.664 13.266 1.00 52.44 C ATOM 332 C LEU A 23 4.382 -24.109 13.705 1.00 5.12 C ATOM 333 O LEU A 23 5.266 -24.405 14.510 1.00 0.51 O ATOM 334 CB LEU A 23 5.406 -22.158 12.510 1.00 44.13 C ATOM 335 CG LEU A 23 5.200 -20.863 11.722 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.508 -20.380 11.118 1.00 34.31 C ATOM 337 CD2 LEU A 23 4.161 -21.067 10.630 1.00 3.33 C ATOM 0 H LEU A 23 4.687 -21.548 14.967 1.00 51.01 H new ATOM 0 HA LEU A 23 3.315 -22.634 12.596 1.00 52.44 H new ATOM 0 HB2 LEU A 23 6.214 -22.005 13.225 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.734 -22.936 11.821 1.00 44.13 H new ATOM 0 HG LEU A 23 4.841 -20.100 12.413 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.334 -19.458 10.563 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.229 -20.194 11.914 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.900 -21.141 10.443 1.00 34.31 H new ATOM 0 HD21 LEU A 23 4.026 -20.137 10.078 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.498 -21.848 9.948 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.213 -21.363 11.080 1.00 3.33 H new ATOM 349 N THR A 24 3.546 -24.995 13.182 1.00 45.31 N ATOM 350 CA THR A 24 3.670 -26.425 13.431 1.00 75.32 C ATOM 351 C THR A 24 4.475 -27.078 12.300 1.00 64.12 C ATOM 352 O THR A 24 4.965 -26.379 11.405 1.00 23.12 O ATOM 353 CB THR A 24 2.281 -27.096 13.574 1.00 73.21 C ATOM 354 OG1 THR A 24 2.419 -28.449 14.037 1.00 0.00 O ATOM 355 CG2 THR A 24 1.521 -27.080 12.252 1.00 12.52 C ATOM 0 H THR A 24 2.765 -24.744 12.575 1.00 45.31 H new ATOM 0 HA THR A 24 4.198 -26.567 14.374 1.00 75.32 H new ATOM 0 HB THR A 24 1.713 -26.523 14.307 1.00 73.21 H new ATOM 0 HG1 THR A 24 1.532 -28.857 14.123 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.550 -27.558 12.385 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.377 -26.049 11.928 1.00 12.52 H new ATOM 0 HG23 THR A 24 2.092 -27.621 11.498 1.00 12.52 H new ATOM 363 N ARG A 25 4.628 -28.403 12.353 1.00 3.14 N ATOM 364 CA ARG A 25 5.440 -29.124 11.371 1.00 73.32 C ATOM 365 C ARG A 25 4.814 -29.072 9.973 1.00 50.00 C ATOM 366 O ARG A 25 3.800 -28.403 9.754 1.00 5.42 O ATOM 367 CB ARG A 25 5.604 -30.590 11.784 1.00 33.05 C ATOM 368 CG ARG A 25 6.189 -30.801 13.170 1.00 24.32 C ATOM 369 CD ARG A 25 6.424 -32.280 13.433 1.00 10.33 C ATOM 370 NE ARG A 25 6.806 -32.559 14.816 1.00 33.14 N ATOM 371 CZ ARG A 25 7.520 -33.623 15.184 1.00 2.41 C ATOM 372 NH1 ARG A 25 7.992 -34.461 14.269 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 7.768 -33.855 16.466 1.00 62.54 N ATOM 0 H ARG A 25 4.201 -28.997 13.064 1.00 3.14 H new ATOM 0 HA ARG A 25 6.413 -28.634 11.339 1.00 73.32 H new ATOM 0 HB2 ARG A 25 4.630 -31.077 11.739 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.244 -31.088 11.056 1.00 33.05 H new ATOM 0 HG2 ARG A 25 7.129 -30.256 13.261 1.00 24.32 H new ATOM 0 HG3 ARG A 25 5.512 -30.396 13.922 1.00 24.32 H new ATOM 0 HD2 ARG A 25 5.517 -32.835 13.193 1.00 10.33 H new ATOM 0 HD3 ARG A 25 7.206 -32.643 12.765 1.00 10.33 H new ATOM 0 HE ARG A 25 6.510 -31.904 15.539 1.00 33.14 H new ATOM 0 HH11 ARG A 25 7.809 -34.292 13.280 1.00 13.30 H new ATOM 0 HH12 ARG A 25 8.538 -35.274 14.555 1.00 13.30 H new ATOM 0 HH21 ARG A 25 7.412 -33.217 17.178 1.00 62.54 H new ATOM 0 HH22 ARG A 25 8.315 -34.671 16.740 1.00 62.54 H new ATOM 387 N ASP A 26 5.416 -29.820 9.037 1.00 11.55 N ATOM 388 CA ASP A 26 4.975 -29.850 7.633 1.00 13.41 C ATOM 389 C ASP A 26 5.039 -28.442 7.028 1.00 2.54 C ATOM 390 O ASP A 26 4.431 -28.145 5.999 1.00 54.04 O ATOM 391 CB ASP A 26 3.561 -30.443 7.532 1.00 51.21 C ATOM 392 CG ASP A 26 3.109 -30.699 6.105 1.00 14.41 C ATOM 393 OD1 ASP A 26 3.921 -31.186 5.289 1.00 15.50 O ATOM 394 OD2 ASP A 26 1.925 -30.440 5.802 1.00 15.44 O1- ATOM 0 H ASP A 26 6.219 -30.419 9.230 1.00 11.55 H new ATOM 0 HA ASP A 26 5.646 -30.490 7.061 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.529 -31.380 8.088 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.856 -29.763 8.011 1.00 51.21 H new ATOM 399 N GLN A 27 5.816 -27.588 7.682 1.00 2.23 N ATOM 400 CA GLN A 27 5.976 -26.201 7.281 1.00 4.51 C ATOM 401 C GLN A 27 7.428 -25.775 7.450 1.00 2.23 C ATOM 402 O GLN A 27 8.303 -26.628 7.589 1.00 21.25 O ATOM 403 CB GLN A 27 5.070 -25.299 8.122 1.00 41.02 C ATOM 404 CG GLN A 27 3.597 -25.391 7.758 1.00 12.33 C ATOM 405 CD GLN A 27 2.711 -24.580 8.687 1.00 33.35 C ATOM 406 OE1 GLN A 27 1.703 -24.016 8.266 1.00 70.15 O ATOM 407 NE2 GLN A 27 3.063 -24.539 9.964 1.00 42.30 N ATOM 0 H GLN A 27 6.355 -27.842 8.510 1.00 2.23 H new ATOM 0 HA GLN A 27 5.694 -26.105 6.232 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.191 -25.559 9.174 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.398 -24.266 8.009 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.458 -25.043 6.734 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.285 -26.435 7.785 1.00 12.33 H new ATOM 0 HE21 GLN A 27 3.907 -25.020 10.276 1.00 42.30 H new ATOM 0 HE22 GLN A 27 2.490 -24.027 10.635 1.00 42.30 H new ATOM 416 N VAL A 28 7.666 -24.455 7.415 1.00 40.51 N ATOM 417 CA VAL A 28 8.998 -23.846 7.583 1.00 21.23 C ATOM 418 C VAL A 28 10.052 -24.500 6.688 1.00 20.45 C ATOM 419 O VAL A 28 11.252 -24.423 6.948 1.00 35.23 O ATOM 420 CB VAL A 28 9.479 -23.830 9.066 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.422 -23.199 9.957 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.859 -25.215 9.582 1.00 12.44 C ATOM 0 H VAL A 28 6.927 -23.768 7.267 1.00 40.51 H new ATOM 0 HA VAL A 28 8.881 -22.809 7.268 1.00 21.23 H new ATOM 0 HB VAL A 28 10.386 -23.226 9.098 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.772 -23.195 10.989 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.237 -22.175 9.632 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.498 -23.774 9.889 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.186 -25.140 10.619 1.00 12.44 H new ATOM 0 HG22 VAL A 28 8.994 -25.876 9.521 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.669 -25.620 8.975 1.00 12.44 H new ATOM 432 N LYS A 29 9.592 -25.105 5.604 1.00 1.44 N ATOM 433 CA LYS A 29 10.479 -25.780 4.673 1.00 53.22 C ATOM 434 C LYS A 29 10.983 -24.814 3.612 1.00 71.12 C ATOM 435 O LYS A 29 12.025 -25.043 3.002 1.00 33.02 O ATOM 436 CB LYS A 29 9.770 -26.978 4.037 1.00 54.41 C ATOM 437 CG LYS A 29 8.390 -26.661 3.491 1.00 70.52 C ATOM 438 CD LYS A 29 7.604 -27.933 3.221 1.00 33.02 C ATOM 439 CE LYS A 29 6.181 -27.636 2.788 1.00 11.13 C ATOM 440 NZ LYS A 29 6.119 -27.046 1.426 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.605 -25.142 5.348 1.00 1.44 H new ATOM 0 HA LYS A 29 11.344 -26.150 5.223 1.00 53.22 H new ATOM 0 HB2 LYS A 29 10.389 -27.366 3.228 1.00 54.41 H new ATOM 0 HB3 LYS A 29 9.682 -27.771 4.780 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.848 -26.039 4.203 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.483 -26.085 2.570 1.00 70.52 H new ATOM 0 HD2 LYS A 29 8.106 -28.513 2.446 1.00 33.02 H new ATOM 0 HD3 LYS A 29 7.589 -28.549 4.120 1.00 33.02 H new ATOM 0 HE2 LYS A 29 5.597 -28.556 2.810 1.00 11.13 H new ATOM 0 HE3 LYS A 29 5.722 -26.950 3.500 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 5.128 -26.860 1.173 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 6.654 -26.154 1.409 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 6.532 -27.710 0.741 1.00 21.55 H new ATOM 454 N ALA A 30 10.236 -23.734 3.409 1.00 52.32 N ATOM 455 CA ALA A 30 10.629 -22.687 2.479 1.00 14.13 C ATOM 456 C ALA A 30 9.781 -21.443 2.691 1.00 61.32 C ATOM 457 O ALA A 30 8.626 -21.385 2.270 1.00 75.11 O ATOM 458 CB ALA A 30 10.515 -23.167 1.042 1.00 4.23 C ATOM 0 H ALA A 30 9.348 -23.562 3.881 1.00 52.32 H new ATOM 0 HA ALA A 30 11.672 -22.436 2.672 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.814 -22.366 0.366 1.00 4.23 H new ATOM 0 HB2 ALA A 30 11.165 -24.029 0.894 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.483 -23.451 0.834 1.00 4.23 H new ATOM 464 N ILE A 31 10.348 -20.465 3.380 1.00 25.12 N ATOM 465 CA ILE A 31 9.678 -19.196 3.628 1.00 40.14 C ATOM 466 C ILE A 31 10.595 -18.056 3.206 1.00 74.23 C ATOM 467 O ILE A 31 11.800 -18.106 3.450 1.00 4.24 O ATOM 468 CB ILE A 31 9.296 -19.033 5.122 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.392 -20.188 5.570 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.612 -17.692 5.365 1.00 41.23 C ATOM 471 CD1 ILE A 31 8.036 -20.149 7.042 1.00 3.32 C ATOM 0 H ILE A 31 11.283 -20.527 3.783 1.00 25.12 H new ATOM 0 HA ILE A 31 8.757 -19.176 3.045 1.00 40.14 H new ATOM 0 HB ILE A 31 10.211 -19.057 5.714 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.474 -20.167 4.983 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.889 -21.133 5.351 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.354 -17.601 6.420 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.287 -16.883 5.086 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.705 -17.632 4.763 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.395 -20.997 7.284 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.947 -20.201 7.638 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.509 -19.221 7.265 1.00 3.32 H new ATOM 483 N ASN A 32 10.030 -17.047 2.560 1.00 72.34 N ATOM 484 CA ASN A 32 10.820 -15.935 2.052 1.00 15.12 C ATOM 485 C ASN A 32 11.143 -14.956 3.169 1.00 73.04 C ATOM 486 O ASN A 32 12.310 -14.690 3.458 1.00 13.03 O ATOM 487 CB ASN A 32 10.076 -15.209 0.927 1.00 71.30 C ATOM 488 CG ASN A 32 9.875 -16.072 -0.303 1.00 3.15 C ATOM 489 OD1 ASN A 32 10.685 -16.947 -0.603 1.00 51.12 O ATOM 490 ND2 ASN A 32 8.794 -15.828 -1.028 1.00 22.03 N ATOM 0 H ASN A 32 9.029 -16.975 2.375 1.00 72.34 H new ATOM 0 HA ASN A 32 11.751 -16.339 1.653 1.00 15.12 H new ATOM 0 HB2 ASN A 32 9.105 -14.879 1.295 1.00 71.30 H new ATOM 0 HB3 ASN A 32 10.633 -14.314 0.649 1.00 71.30 H new ATOM 0 HD21 ASN A 32 8.610 -16.375 -1.869 1.00 22.03 H new ATOM 0 HD22 ASN A 32 8.146 -15.093 -0.746 1.00 22.03 H new ATOM 497 N PHE A 33 10.101 -14.430 3.800 1.00 4.32 N ATOM 498 CA PHE A 33 10.270 -13.425 4.838 1.00 60.13 C ATOM 499 C PHE A 33 9.315 -13.673 5.996 1.00 71.25 C ATOM 500 O PHE A 33 8.150 -14.022 5.793 1.00 43.02 O ATOM 501 CB PHE A 33 10.031 -12.016 4.279 1.00 25.12 C ATOM 502 CG PHE A 33 10.973 -11.621 3.177 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.534 -11.559 1.865 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.294 -11.310 3.452 1.00 1.10 C ATOM 505 CE1 PHE A 33 11.396 -11.195 0.848 1.00 3.21 C ATOM 506 CE2 PHE A 33 13.162 -10.944 2.440 1.00 62.54 C ATOM 507 CZ PHE A 33 12.711 -10.887 1.137 1.00 65.33 C ATOM 0 H PHE A 33 9.131 -14.683 3.610 1.00 4.32 H new ATOM 0 HA PHE A 33 11.296 -13.498 5.199 1.00 60.13 H new ATOM 0 HB2 PHE A 33 9.008 -11.954 3.907 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.119 -11.295 5.092 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.506 -11.798 1.634 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.651 -11.354 4.470 1.00 1.10 H new ATOM 0 HE1 PHE A 33 11.042 -11.151 -0.171 1.00 3.21 H new ATOM 0 HE2 PHE A 33 14.190 -10.703 2.668 1.00 62.54 H new ATOM 0 HZ PHE A 33 13.386 -10.602 0.344 1.00 65.33 H new ATOM 517 N LEU A 34 9.824 -13.506 7.205 1.00 45.21 N ATOM 518 CA LEU A 34 9.006 -13.554 8.405 1.00 44.33 C ATOM 519 C LEU A 34 8.454 -12.161 8.689 1.00 61.32 C ATOM 520 O LEU A 34 9.144 -11.165 8.463 1.00 5.11 O ATOM 521 CB LEU A 34 9.819 -14.054 9.615 1.00 2.10 C ATOM 522 CG LEU A 34 10.116 -15.561 9.665 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.834 -16.369 9.583 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.079 -15.974 8.560 1.00 73.11 C ATOM 0 H LEU A 34 10.814 -13.334 7.382 1.00 45.21 H new ATOM 0 HA LEU A 34 8.186 -14.254 8.241 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.768 -13.518 9.633 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.282 -13.782 10.523 1.00 2.10 H new ATOM 0 HG LEU A 34 10.594 -15.770 10.622 1.00 42.44 H new ATOM 0 HD11 LEU A 34 9.071 -17.432 9.620 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.187 -16.112 10.422 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.321 -16.144 8.648 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.268 -17.046 8.624 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.641 -15.740 7.590 1.00 73.11 H new ATOM 0 HD23 LEU A 34 12.018 -15.433 8.675 1.00 73.11 H new ATOM 536 N PRO A 35 7.205 -12.070 9.168 1.00 32.22 N ATOM 537 CA PRO A 35 6.562 -10.785 9.462 1.00 5.03 C ATOM 538 C PRO A 35 7.301 -9.987 10.535 1.00 10.23 C ATOM 539 O PRO A 35 8.098 -10.535 11.302 1.00 63.24 O ATOM 540 CB PRO A 35 5.168 -11.177 9.960 1.00 22.10 C ATOM 541 CG PRO A 35 5.281 -12.611 10.356 1.00 24.21 C ATOM 542 CD PRO A 35 6.323 -13.209 9.458 1.00 34.40 C ATOM 0 HA PRO A 35 6.550 -10.138 8.585 1.00 5.03 H new ATOM 0 HB2 PRO A 35 4.864 -10.559 10.804 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.419 -11.042 9.180 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.569 -12.705 11.403 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.326 -13.124 10.241 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.860 -14.021 9.948 1.00 34.40 H new ATOM 0 HD3 PRO A 35 5.884 -13.621 8.549 1.00 34.40 H new ATOM 550 N VAL A 36 7.019 -8.692 10.587 1.00 60.55 N ATOM 551 CA VAL A 36 7.664 -7.804 11.542 1.00 53.33 C ATOM 552 C VAL A 36 7.222 -8.127 12.973 1.00 1.10 C ATOM 553 O VAL A 36 6.073 -8.517 13.208 1.00 72.31 O ATOM 554 CB VAL A 36 7.381 -6.316 11.205 1.00 4.21 C ATOM 555 CG1 VAL A 36 5.896 -6.002 11.274 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.172 -5.388 12.115 1.00 25.11 C ATOM 0 H VAL A 36 6.344 -8.232 9.975 1.00 60.55 H new ATOM 0 HA VAL A 36 8.740 -7.966 11.471 1.00 53.33 H new ATOM 0 HB VAL A 36 7.709 -6.146 10.179 1.00 4.21 H new ATOM 0 HG11 VAL A 36 5.735 -4.951 11.032 1.00 64.12 H new ATOM 0 HG12 VAL A 36 5.359 -6.625 10.559 1.00 64.12 H new ATOM 0 HG13 VAL A 36 5.528 -6.204 12.280 1.00 64.12 H new ATOM 0 HG21 VAL A 36 7.954 -4.352 11.856 1.00 25.11 H new ATOM 0 HG22 VAL A 36 7.891 -5.570 13.152 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.238 -5.577 11.989 1.00 25.11 H new ATOM 566 N ASP A 37 8.162 -7.999 13.909 1.00 75.53 N ATOM 567 CA ASP A 37 7.929 -8.287 15.327 1.00 0.24 C ATOM 568 C ASP A 37 7.704 -9.782 15.551 1.00 61.43 C ATOM 569 O ASP A 37 7.158 -10.208 16.569 1.00 74.15 O ATOM 570 CB ASP A 37 6.753 -7.464 15.880 1.00 1.03 C ATOM 571 CG ASP A 37 6.639 -7.552 17.392 1.00 73.54 C ATOM 572 OD1 ASP A 37 5.605 -8.039 17.893 1.00 11.24 O ATOM 573 OD2 ASP A 37 7.590 -7.138 18.090 1.00 24.30 O1- ATOM 0 H ASP A 37 9.113 -7.691 13.705 1.00 75.53 H new ATOM 0 HA ASP A 37 8.824 -7.994 15.876 1.00 0.24 H new ATOM 0 HB2 ASP A 37 6.876 -6.421 15.589 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.825 -7.814 15.428 1.00 1.03 H new ATOM 578 N TYR A 38 8.138 -10.588 14.598 1.00 64.13 N ATOM 579 CA TYR A 38 8.105 -12.026 14.780 1.00 64.04 C ATOM 580 C TYR A 38 9.271 -12.433 15.666 1.00 13.41 C ATOM 581 O TYR A 38 10.403 -11.991 15.453 1.00 72.14 O ATOM 582 CB TYR A 38 8.167 -12.756 13.438 1.00 31.23 C ATOM 583 CG TYR A 38 7.613 -14.162 13.500 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.441 -15.258 13.696 1.00 63.21 C ATOM 585 CD2 TYR A 38 6.250 -14.386 13.369 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.923 -16.539 13.764 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.725 -15.662 13.432 1.00 74.11 C ATOM 588 CZ TYR A 38 6.564 -16.733 13.628 1.00 52.12 C ATOM 589 OH TYR A 38 6.040 -18.005 13.710 1.00 52.04 O ATOM 0 H TYR A 38 8.512 -10.276 13.702 1.00 64.13 H new ATOM 0 HA TYR A 38 7.165 -12.305 15.256 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.610 -12.185 12.695 1.00 31.23 H new ATOM 0 HB3 TYR A 38 9.203 -12.795 13.100 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.506 -15.109 13.797 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.587 -13.547 13.215 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.579 -17.382 13.923 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.661 -15.817 13.328 1.00 74.11 H new ATOM 0 HH TYR A 38 5.068 -17.966 13.594 1.00 52.04 H new ATOM 599 N GLU A 39 8.992 -13.247 16.670 1.00 24.42 N ATOM 600 CA GLU A 39 10.002 -13.622 17.645 1.00 12.31 C ATOM 601 C GLU A 39 10.151 -15.134 17.699 1.00 14.54 C ATOM 602 O GLU A 39 9.162 -15.867 17.649 1.00 3.41 O ATOM 603 CB GLU A 39 9.629 -13.070 19.024 1.00 45.13 C ATOM 604 CG GLU A 39 9.379 -11.569 19.015 1.00 72.52 C ATOM 605 CD GLU A 39 8.968 -11.028 20.366 1.00 31.14 C ATOM 606 OE1 GLU A 39 7.831 -11.297 20.801 1.00 5.53 O ATOM 607 OE2 GLU A 39 9.775 -10.307 20.988 1.00 51.15 O1- ATOM 0 H GLU A 39 8.074 -13.661 16.831 1.00 24.42 H new ATOM 0 HA GLU A 39 10.958 -13.194 17.344 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.735 -13.580 19.384 1.00 45.13 H new ATOM 0 HB3 GLU A 39 10.430 -13.295 19.728 1.00 45.13 H new ATOM 0 HG2 GLU A 39 10.284 -11.058 18.686 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.601 -11.341 18.287 1.00 72.52 H new ATOM 614 N ILE A 40 11.391 -15.588 17.781 1.00 4.54 N ATOM 615 CA ILE A 40 11.694 -17.010 17.791 1.00 42.33 C ATOM 616 C ILE A 40 12.622 -17.354 18.948 1.00 75.11 C ATOM 617 O ILE A 40 13.429 -16.525 19.379 1.00 0.45 O ATOM 618 CB ILE A 40 12.349 -17.451 16.465 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.530 -16.533 16.148 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.335 -17.432 15.332 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.240 -16.845 14.854 1.00 11.34 C ATOM 0 H ILE A 40 12.212 -14.985 17.842 1.00 4.54 H new ATOM 0 HA ILE A 40 10.751 -17.543 17.912 1.00 42.33 H new ATOM 0 HB ILE A 40 12.712 -18.473 16.571 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.173 -15.504 16.112 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.249 -16.593 16.965 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.818 -17.746 14.407 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.517 -18.114 15.564 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.943 -16.422 15.212 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.062 -16.144 14.712 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.632 -17.862 14.890 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.539 -16.755 14.024 1.00 11.34 H new ATOM 633 N GLU A 41 12.498 -18.574 19.447 1.00 61.12 N ATOM 634 CA GLU A 41 13.308 -19.032 20.564 1.00 13.03 C ATOM 635 C GLU A 41 14.224 -20.178 20.129 1.00 60.15 C ATOM 636 O GLU A 41 13.908 -20.919 19.196 1.00 54.15 O ATOM 637 CB GLU A 41 12.401 -19.481 21.711 1.00 74.33 C ATOM 638 CG GLU A 41 13.157 -19.889 22.960 1.00 15.40 C ATOM 639 CD GLU A 41 12.246 -20.367 24.066 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.752 -19.523 24.841 1.00 21.53 O ATOM 641 OE2 GLU A 41 12.039 -21.588 24.182 1.00 65.45 O1- ATOM 0 H GLU A 41 11.840 -19.268 19.093 1.00 61.12 H new ATOM 0 HA GLU A 41 13.933 -18.208 20.907 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.716 -18.670 21.960 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.793 -20.320 21.374 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.863 -20.681 22.709 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.742 -19.042 23.318 1.00 15.40 H new ATOM 648 N TYR A 42 15.359 -20.311 20.804 1.00 75.13 N ATOM 649 CA TYR A 42 16.310 -21.383 20.526 1.00 70.02 C ATOM 650 C TYR A 42 16.163 -22.511 21.533 1.00 70.13 C ATOM 651 O TYR A 42 16.616 -22.398 22.669 1.00 31.24 O ATOM 652 CB TYR A 42 17.747 -20.861 20.565 1.00 71.13 C ATOM 653 CG TYR A 42 18.109 -19.965 19.408 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.716 -20.483 18.272 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.854 -18.603 19.455 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.058 -19.667 17.212 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.190 -17.784 18.400 1.00 60.14 C ATOM 658 CZ TYR A 42 18.793 -18.317 17.283 1.00 71.20 C ATOM 659 OH TYR A 42 19.134 -17.496 16.231 1.00 33.12 O ATOM 0 H TYR A 42 15.646 -19.684 21.555 1.00 75.13 H new ATOM 0 HA TYR A 42 16.093 -21.762 19.527 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.898 -20.314 21.495 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.430 -21.710 20.580 1.00 71.13 H new ATOM 0 HD1 TYR A 42 18.924 -21.541 18.216 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.386 -18.179 20.331 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.529 -20.084 16.334 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.981 -16.726 18.449 1.00 60.14 H new ATOM 0 HH TYR A 42 19.552 -18.029 15.522 1.00 33.12 H new ATOM 669 N VAL A 43 15.507 -23.584 21.128 1.00 14.33 N ATOM 670 CA VAL A 43 15.357 -24.745 21.989 1.00 13.01 C ATOM 671 C VAL A 43 16.456 -25.764 21.698 1.00 43.53 C ATOM 672 O VAL A 43 17.015 -25.791 20.600 1.00 23.35 O ATOM 673 CB VAL A 43 13.970 -25.406 21.827 1.00 2.42 C ATOM 674 CG1 VAL A 43 12.871 -24.443 22.247 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.750 -25.877 20.396 1.00 10.23 C ATOM 0 H VAL A 43 15.070 -23.676 20.211 1.00 14.33 H new ATOM 0 HA VAL A 43 15.444 -24.401 23.020 1.00 13.01 H new ATOM 0 HB VAL A 43 13.935 -26.280 22.477 1.00 2.42 H new ATOM 0 HG11 VAL A 43 11.900 -24.924 22.127 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.011 -24.164 23.291 1.00 12.10 H new ATOM 0 HG13 VAL A 43 12.913 -23.549 21.624 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.766 -26.338 20.312 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.811 -25.025 19.719 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.516 -26.606 20.131 1.00 10.23 H new ATOM 685 N CYS A 44 16.770 -26.591 22.682 1.00 44.41 N ATOM 686 CA CYS A 44 17.819 -27.590 22.530 1.00 33.42 C ATOM 687 C CYS A 44 17.209 -28.892 22.013 1.00 23.24 C ATOM 688 O CYS A 44 16.002 -28.963 21.764 1.00 51.42 O ATOM 689 CB CYS A 44 18.538 -27.813 23.869 1.00 2.24 C ATOM 690 SG CYS A 44 20.145 -28.671 23.733 1.00 3.51 S ATOM 0 H CYS A 44 16.315 -26.591 23.595 1.00 44.41 H new ATOM 0 HA CYS A 44 18.556 -27.238 21.808 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.696 -26.846 24.347 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.887 -28.391 24.525 1.00 2.24 H new ATOM 695 N ARG A 45 18.029 -29.917 21.831 1.00 62.05 N ATOM 696 CA ARG A 45 17.532 -31.185 21.325 1.00 5.01 C ATOM 697 C ARG A 45 16.905 -32.017 22.435 1.00 54.03 C ATOM 698 O ARG A 45 17.251 -31.870 23.608 1.00 24.32 O ATOM 699 CB ARG A 45 18.633 -31.976 20.620 1.00 71.44 C ATOM 700 CG ARG A 45 18.511 -31.936 19.106 1.00 42.32 C ATOM 701 CD ARG A 45 17.134 -32.413 18.665 1.00 12.32 C ATOM 702 NE ARG A 45 16.979 -32.431 17.216 1.00 32.41 N ATOM 703 CZ ARG A 45 15.825 -32.202 16.591 1.00 70.05 C ATOM 704 NH1 ARG A 45 14.739 -31.865 17.284 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 15.756 -32.295 15.271 1.00 35.41 N ATOM 0 H ARG A 45 19.030 -29.896 22.024 1.00 62.05 H new ATOM 0 HA ARG A 45 16.758 -30.957 20.592 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.604 -31.577 20.912 1.00 71.44 H new ATOM 0 HB3 ARG A 45 18.600 -33.013 20.955 1.00 71.44 H new ATOM 0 HG2 ARG A 45 18.681 -30.920 18.749 1.00 42.32 H new ATOM 0 HG3 ARG A 45 19.280 -32.565 18.657 1.00 42.32 H new ATOM 0 HD2 ARG A 45 16.959 -33.415 19.057 1.00 12.32 H new ATOM 0 HD3 ARG A 45 16.374 -31.764 19.099 1.00 12.32 H new ATOM 0 HE ARG A 45 17.802 -32.631 16.647 1.00 32.41 H new ATOM 0 HH11 ARG A 45 14.788 -31.781 18.299 1.00 54.35 H new ATOM 0 HH12 ARG A 45 13.858 -31.691 16.799 1.00 54.35 H new ATOM 0 HH21 ARG A 45 16.587 -32.542 14.733 1.00 35.41 H new ATOM 0 HH22 ARG A 45 14.872 -32.120 14.793 1.00 35.41 H new ATOM 719 N GLY A 46 15.981 -32.888 22.052 1.00 62.21 N ATOM 720 CA GLY A 46 15.226 -33.645 23.023 1.00 35.13 C ATOM 721 C GLY A 46 14.199 -32.772 23.705 1.00 50.42 C ATOM 722 O GLY A 46 13.552 -31.948 23.054 1.00 24.32 O ATOM 0 H GLY A 46 15.742 -33.082 21.080 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.730 -34.482 22.532 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.902 -34.067 23.767 1.00 35.13 H new ATOM 726 N GLU A 47 14.055 -32.934 25.006 1.00 62.41 N ATOM 727 CA GLU A 47 13.183 -32.070 25.784 1.00 21.42 C ATOM 728 C GLU A 47 14.026 -31.194 26.700 1.00 12.53 C ATOM 729 O GLU A 47 13.536 -30.628 27.679 1.00 4.41 O ATOM 730 CB GLU A 47 12.188 -32.900 26.595 1.00 22.13 C ATOM 731 CG GLU A 47 12.841 -33.874 27.560 1.00 11.01 C ATOM 732 CD GLU A 47 11.830 -34.714 28.302 1.00 54.23 C ATOM 733 OE1 GLU A 47 11.504 -35.820 27.820 1.00 31.03 O ATOM 734 OE2 GLU A 47 11.349 -34.273 29.367 1.00 71.43 O1- ATOM 0 H GLU A 47 14.530 -33.656 25.548 1.00 62.41 H new ATOM 0 HA GLU A 47 12.613 -31.433 25.107 1.00 21.42 H new ATOM 0 HB2 GLU A 47 11.541 -32.226 27.157 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.550 -33.457 25.909 1.00 22.13 H new ATOM 0 HG2 GLU A 47 13.518 -34.527 27.010 1.00 11.01 H new ATOM 0 HG3 GLU A 47 13.446 -33.320 28.278 1.00 11.01 H new ATOM 741 N ARG A 48 15.300 -31.067 26.348 1.00 3.22 N ATOM 742 CA ARG A 48 16.247 -30.311 27.147 1.00 11.31 C ATOM 743 C ARG A 48 16.237 -28.851 26.705 1.00 51.34 C ATOM 744 O ARG A 48 15.960 -28.547 25.543 1.00 74.21 O ATOM 745 CB ARG A 48 17.653 -30.907 27.007 1.00 14.32 C ATOM 746 CG ARG A 48 17.681 -32.430 27.093 1.00 42.31 C ATOM 747 CD ARG A 48 17.161 -32.945 28.430 1.00 42.54 C ATOM 748 NE ARG A 48 18.127 -32.759 29.511 1.00 62.44 N ATOM 749 CZ ARG A 48 18.405 -33.685 30.427 1.00 10.24 C ATOM 750 NH1 ARG A 48 17.702 -34.811 30.469 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 19.363 -33.469 31.321 1.00 20.12 N ATOM 0 H ARG A 48 15.700 -31.483 25.507 1.00 3.22 H new ATOM 0 HA ARG A 48 15.957 -30.365 28.196 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.077 -30.597 26.052 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.293 -30.495 27.788 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.079 -32.848 26.286 1.00 42.31 H new ATOM 0 HG3 ARG A 48 18.702 -32.781 26.943 1.00 42.31 H new ATOM 0 HD2 ARG A 48 16.235 -32.428 28.681 1.00 42.54 H new ATOM 0 HD3 ARG A 48 16.920 -34.004 28.340 1.00 42.54 H new ATOM 0 HE ARG A 48 18.618 -31.867 29.567 1.00 62.44 H new ATOM 0 HH11 ARG A 48 16.949 -34.967 29.799 1.00 25.54 H new ATOM 0 HH12 ARG A 48 17.916 -35.520 31.171 1.00 25.54 H new ATOM 0 HH21 ARG A 48 19.886 -32.594 31.306 1.00 20.12 H new ATOM 0 HH22 ARG A 48 19.575 -34.179 32.022 1.00 20.12 H new ATOM 765 N GLU A 49 16.538 -27.954 27.630 1.00 44.11 N ATOM 766 CA GLU A 49 16.382 -26.526 27.387 1.00 30.02 C ATOM 767 C GLU A 49 17.710 -25.796 27.549 1.00 63.13 C ATOM 768 O GLU A 49 18.695 -26.372 28.010 1.00 72.31 O ATOM 769 CB GLU A 49 15.336 -25.957 28.344 1.00 5.24 C ATOM 770 CG GLU A 49 14.012 -26.701 28.284 1.00 21.11 C ATOM 771 CD GLU A 49 13.036 -26.256 29.348 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.312 -26.482 30.542 1.00 50.41 O ATOM 773 OE2 GLU A 49 11.969 -25.712 28.993 1.00 41.04 O1- ATOM 0 H GLU A 49 16.892 -28.188 28.557 1.00 44.11 H new ATOM 0 HA GLU A 49 16.047 -26.379 26.360 1.00 30.02 H new ATOM 0 HB2 GLU A 49 15.723 -25.996 29.362 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.168 -24.906 28.107 1.00 5.24 H new ATOM 0 HG2 GLU A 49 13.563 -26.553 27.302 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.197 -27.770 28.392 1.00 21.11 H new ATOM 780 N VAL A 50 17.732 -24.531 27.163 1.00 34.14 N ATOM 781 CA VAL A 50 18.950 -23.739 27.218 1.00 54.31 C ATOM 782 C VAL A 50 18.784 -22.552 28.156 1.00 4.42 C ATOM 783 O VAL A 50 17.677 -22.043 28.335 1.00 41.03 O ATOM 784 CB VAL A 50 19.352 -23.210 25.820 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.530 -24.355 24.837 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.330 -22.211 25.297 1.00 31.42 C ATOM 0 H VAL A 50 16.918 -24.029 26.807 1.00 34.14 H new ATOM 0 HA VAL A 50 19.735 -24.398 27.589 1.00 54.31 H new ATOM 0 HB VAL A 50 20.307 -22.695 25.923 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.812 -23.957 23.862 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.312 -25.024 25.196 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.594 -24.906 24.747 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.638 -21.856 24.314 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.356 -22.694 25.220 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.263 -21.366 25.983 1.00 31.42 H new ATOM 796 N VAL A 51 19.878 -22.120 28.766 1.00 23.20 N ATOM 797 CA VAL A 51 19.867 -20.882 29.523 1.00 2.24 C ATOM 798 C VAL A 51 20.752 -19.857 28.818 1.00 12.52 C ATOM 799 O VAL A 51 21.977 -19.867 28.924 1.00 73.23 O ATOM 800 CB VAL A 51 20.299 -21.081 30.999 1.00 35.20 C ATOM 801 CG1 VAL A 51 21.663 -21.744 31.102 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.288 -19.755 31.745 1.00 4.13 C ATOM 0 H VAL A 51 20.775 -22.605 28.751 1.00 23.20 H new ATOM 0 HA VAL A 51 18.841 -20.515 29.560 1.00 2.24 H new ATOM 0 HB VAL A 51 19.575 -21.749 31.465 1.00 35.20 H new ATOM 0 HG11 VAL A 51 21.930 -21.866 32.152 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.630 -22.721 30.620 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.409 -21.121 30.608 1.00 24.00 H new ATOM 0 HG21 VAL A 51 20.594 -19.916 32.779 1.00 4.13 H new ATOM 0 HG22 VAL A 51 20.980 -19.062 31.266 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.282 -19.335 31.726 1.00 4.13 H new ATOM 812 N GLY A 52 20.110 -19.018 28.037 1.00 43.00 N ATOM 813 CA GLY A 52 20.809 -18.026 27.259 1.00 12.21 C ATOM 814 C GLY A 52 19.915 -16.848 26.962 1.00 21.54 C ATOM 815 O GLY A 52 18.725 -16.893 27.282 1.00 21.14 O ATOM 0 H GLY A 52 19.096 -19.005 27.925 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.693 -17.690 27.801 1.00 12.21 H new ATOM 0 HA3 GLY A 52 21.157 -18.469 26.325 1.00 12.21 H new ATOM 819 N PRO A 53 20.449 -15.775 26.362 1.00 41.45 N ATOM 820 CA PRO A 53 19.626 -14.681 25.844 1.00 13.20 C ATOM 821 C PRO A 53 18.887 -15.125 24.581 1.00 34.33 C ATOM 822 O PRO A 53 19.069 -14.570 23.497 1.00 53.40 O ATOM 823 CB PRO A 53 20.644 -13.577 25.535 1.00 30.31 C ATOM 824 CG PRO A 53 21.934 -14.291 25.308 1.00 70.42 C ATOM 825 CD PRO A 53 21.886 -15.554 26.126 1.00 22.42 C ATOM 0 HA PRO A 53 18.856 -14.352 26.542 1.00 13.20 H new ATOM 0 HB2 PRO A 53 20.350 -13.005 24.655 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.724 -12.872 26.362 1.00 30.31 H new ATOM 0 HG2 PRO A 53 22.067 -14.521 24.251 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.777 -13.669 25.608 1.00 70.42 H new ATOM 0 HD2 PRO A 53 22.336 -16.392 25.593 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.431 -15.443 27.063 1.00 22.42 H new ATOM 833 N LYS A 54 18.062 -16.155 24.742 1.00 53.33 N ATOM 834 CA LYS A 54 17.353 -16.771 23.632 1.00 53.43 C ATOM 835 C LYS A 54 16.215 -15.883 23.144 1.00 54.24 C ATOM 836 O LYS A 54 15.084 -15.968 23.627 1.00 72.35 O ATOM 837 CB LYS A 54 16.819 -18.153 24.037 1.00 14.34 C ATOM 838 CG LYS A 54 16.118 -18.170 25.390 1.00 2.25 C ATOM 839 CD LYS A 54 15.297 -19.432 25.586 1.00 62.01 C ATOM 840 CE LYS A 54 14.522 -19.398 26.896 1.00 22.54 C ATOM 841 NZ LYS A 54 13.422 -20.398 26.915 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.868 -16.584 25.647 1.00 53.33 H new ATOM 0 HA LYS A 54 18.058 -16.895 22.810 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.123 -18.501 23.274 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.648 -18.860 24.059 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.860 -18.093 26.184 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.469 -17.298 25.474 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.602 -19.548 24.754 1.00 62.01 H new ATOM 0 HD3 LYS A 54 15.955 -20.301 25.574 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.202 -19.591 27.725 1.00 22.54 H new ATOM 0 HE3 LYS A 54 14.109 -18.401 27.048 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 13.212 -20.664 27.898 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 12.572 -19.988 26.478 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 13.712 -21.243 26.382 1.00 20.32 H new ATOM 855 N VAL A 55 16.530 -15.014 22.201 1.00 2.14 N ATOM 856 CA VAL A 55 15.539 -14.134 21.617 1.00 11.43 C ATOM 857 C VAL A 55 16.019 -13.609 20.270 1.00 43.22 C ATOM 858 O VAL A 55 17.171 -13.194 20.116 1.00 65.24 O ATOM 859 CB VAL A 55 15.205 -12.948 22.558 1.00 34.24 C ATOM 860 CG1 VAL A 55 16.442 -12.110 22.847 1.00 71.14 C ATOM 861 CG2 VAL A 55 14.099 -12.083 21.969 1.00 74.12 C ATOM 0 H VAL A 55 17.470 -14.900 21.823 1.00 2.14 H new ATOM 0 HA VAL A 55 14.629 -14.717 21.471 1.00 11.43 H new ATOM 0 HB VAL A 55 14.851 -13.363 23.501 1.00 34.24 H new ATOM 0 HG11 VAL A 55 16.177 -11.286 23.509 1.00 71.14 H new ATOM 0 HG12 VAL A 55 17.199 -12.731 23.326 1.00 71.14 H new ATOM 0 HG13 VAL A 55 16.838 -11.712 21.913 1.00 71.14 H new ATOM 0 HG21 VAL A 55 13.882 -11.258 22.647 1.00 74.12 H new ATOM 0 HG22 VAL A 55 14.421 -11.686 21.006 1.00 74.12 H new ATOM 0 HG23 VAL A 55 13.201 -12.685 21.831 1.00 74.12 H new ATOM 871 N ARG A 56 15.147 -13.674 19.284 1.00 3.44 N ATOM 872 CA ARG A 56 15.416 -13.079 17.992 1.00 30.34 C ATOM 873 C ARG A 56 14.288 -12.141 17.633 1.00 34.22 C ATOM 874 O ARG A 56 13.146 -12.562 17.463 1.00 45.24 O ATOM 875 CB ARG A 56 15.588 -14.145 16.915 1.00 31.13 C ATOM 876 CG ARG A 56 16.814 -15.011 17.111 1.00 60.22 C ATOM 877 CD ARG A 56 18.071 -14.166 17.166 1.00 12.52 C ATOM 878 NE ARG A 56 19.262 -14.968 17.410 1.00 73.32 N ATOM 879 CZ ARG A 56 20.182 -14.658 18.316 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.960 -13.671 19.174 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.295 -15.370 18.404 1.00 53.04 N ATOM 0 H ARG A 56 14.241 -14.136 19.355 1.00 3.44 H new ATOM 0 HA ARG A 56 16.351 -12.522 18.051 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.703 -14.781 16.900 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.648 -13.659 15.941 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.716 -15.584 18.033 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.890 -15.730 16.296 1.00 60.22 H new ATOM 0 HD2 ARG A 56 18.185 -13.626 16.226 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.970 -13.419 17.953 1.00 12.52 H new ATOM 0 HE ARG A 56 19.397 -15.813 16.855 1.00 73.32 H new ATOM 0 HH11 ARG A 56 19.083 -13.151 19.137 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.666 -13.432 19.870 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.447 -16.158 17.775 1.00 53.04 H new ATOM 0 HH22 ARG A 56 22.000 -15.130 19.101 1.00 53.04 H new ATOM 895 N LYS A 57 14.615 -10.870 17.548 1.00 33.31 N ATOM 896 CA LYS A 57 13.625 -9.850 17.294 1.00 4.11 C ATOM 897 C LYS A 57 13.695 -9.411 15.840 1.00 15.33 C ATOM 898 O LYS A 57 14.722 -8.903 15.387 1.00 3.22 O ATOM 899 CB LYS A 57 13.870 -8.661 18.228 1.00 43.11 C ATOM 900 CG LYS A 57 12.720 -7.672 18.316 1.00 71.30 C ATOM 901 CD LYS A 57 11.497 -8.295 18.962 1.00 14.43 C ATOM 902 CE LYS A 57 10.559 -7.233 19.507 1.00 11.33 C ATOM 903 NZ LYS A 57 9.313 -7.824 20.064 1.00 52.31 N1+ ATOM 0 H LYS A 57 15.567 -10.518 17.652 1.00 33.31 H new ATOM 0 HA LYS A 57 12.629 -10.250 17.485 1.00 4.11 H new ATOM 0 HB2 LYS A 57 14.082 -9.040 19.228 1.00 43.11 H new ATOM 0 HB3 LYS A 57 14.761 -8.131 17.892 1.00 43.11 H new ATOM 0 HG2 LYS A 57 13.032 -6.800 18.891 1.00 71.30 H new ATOM 0 HG3 LYS A 57 12.465 -7.320 17.317 1.00 71.30 H new ATOM 0 HD2 LYS A 57 10.970 -8.908 18.231 1.00 14.43 H new ATOM 0 HD3 LYS A 57 11.808 -8.958 19.770 1.00 14.43 H new ATOM 0 HE2 LYS A 57 11.069 -6.663 20.284 1.00 11.33 H new ATOM 0 HE3 LYS A 57 10.304 -6.532 18.712 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 8.893 -7.165 20.750 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 8.637 -7.999 19.293 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 9.537 -8.722 20.538 1.00 52.31 H new ATOM 917 N CYS A 58 12.617 -9.642 15.109 1.00 72.13 N ATOM 918 CA CYS A 58 12.545 -9.225 13.719 1.00 62.31 C ATOM 919 C CYS A 58 12.023 -7.798 13.628 1.00 74.10 C ATOM 920 O CYS A 58 10.957 -7.475 14.165 1.00 14.35 O ATOM 921 CB CYS A 58 11.646 -10.170 12.917 1.00 65.03 C ATOM 922 SG CYS A 58 11.630 -9.834 11.125 1.00 34.12 S ATOM 0 H CYS A 58 11.782 -10.115 15.454 1.00 72.13 H new ATOM 0 HA CYS A 58 13.548 -9.263 13.294 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.976 -11.196 13.081 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.628 -10.098 13.299 1.00 65.03 H new ATOM 927 N LEU A 59 12.792 -6.945 12.977 1.00 20.31 N ATOM 928 CA LEU A 59 12.394 -5.566 12.752 1.00 35.20 C ATOM 929 C LEU A 59 11.975 -5.391 11.302 1.00 35.41 C ATOM 930 O LEU A 59 11.934 -6.361 10.547 1.00 75.32 O ATOM 931 CB LEU A 59 13.538 -4.600 13.076 1.00 75.13 C ATOM 932 CG LEU A 59 14.139 -4.711 14.481 1.00 73.02 C ATOM 933 CD1 LEU A 59 15.139 -3.591 14.713 1.00 24.20 C ATOM 934 CD2 LEU A 59 13.060 -4.679 15.551 1.00 11.24 C ATOM 0 H LEU A 59 13.705 -7.186 12.591 1.00 20.31 H new ATOM 0 HA LEU A 59 11.557 -5.338 13.412 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.335 -4.757 12.349 1.00 75.13 H new ATOM 0 HB3 LEU A 59 13.176 -3.581 12.938 1.00 75.13 H new ATOM 0 HG LEU A 59 14.652 -5.670 14.551 1.00 73.02 H new ATOM 0 HD11 LEU A 59 15.559 -3.680 15.715 1.00 24.20 H new ATOM 0 HD12 LEU A 59 15.939 -3.659 13.976 1.00 24.20 H new ATOM 0 HD13 LEU A 59 14.637 -2.629 14.615 1.00 24.20 H new ATOM 0 HD21 LEU A 59 13.521 -4.760 16.535 1.00 11.24 H new ATOM 0 HD22 LEU A 59 12.509 -3.741 15.484 1.00 11.24 H new ATOM 0 HD23 LEU A 59 12.375 -5.513 15.402 1.00 11.24 H new ATOM 946 N ALA A 60 11.630 -4.165 10.928 1.00 33.55 N ATOM 947 CA ALA A 60 11.334 -3.848 9.537 1.00 14.42 C ATOM 948 C ALA A 60 12.520 -4.213 8.642 1.00 34.01 C ATOM 949 O ALA A 60 12.349 -4.596 7.486 1.00 3.23 O ATOM 950 CB ALA A 60 10.977 -2.377 9.394 1.00 21.55 C ATOM 0 H ALA A 60 11.548 -3.375 11.568 1.00 33.55 H new ATOM 0 HA ALA A 60 10.475 -4.439 9.219 1.00 14.42 H new ATOM 0 HB1 ALA A 60 10.758 -2.156 8.349 1.00 21.55 H new ATOM 0 HB2 ALA A 60 10.101 -2.154 10.003 1.00 21.55 H new ATOM 0 HB3 ALA A 60 11.815 -1.765 9.727 1.00 21.55 H new ATOM 956 N ASN A 61 13.724 -4.092 9.190 1.00 62.21 N ATOM 957 CA ASN A 61 14.925 -4.552 8.505 1.00 25.33 C ATOM 958 C ASN A 61 15.073 -6.057 8.696 1.00 24.31 C ATOM 959 O ASN A 61 14.959 -6.564 9.815 1.00 33.40 O ATOM 960 CB ASN A 61 16.170 -3.809 9.013 1.00 32.31 C ATOM 961 CG ASN A 61 16.323 -3.871 10.522 1.00 74.35 C ATOM 962 OD1 ASN A 61 15.744 -3.062 11.246 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.119 -4.811 11.007 1.00 4.55 N ATOM 0 H ASN A 61 13.894 -3.679 10.107 1.00 62.21 H new ATOM 0 HA ASN A 61 14.829 -4.336 7.441 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.057 -4.236 8.546 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.116 -2.766 8.701 1.00 32.31 H new ATOM 0 HD21 ASN A 61 17.270 -4.882 12.013 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.582 -5.464 10.374 1.00 4.55 H new ATOM 970 N GLY A 62 15.328 -6.764 7.602 1.00 21.23 N ATOM 971 CA GLY A 62 15.303 -8.215 7.618 1.00 43.34 C ATOM 972 C GLY A 62 16.537 -8.854 8.227 1.00 30.15 C ATOM 973 O GLY A 62 17.286 -9.548 7.538 1.00 74.22 O ATOM 0 H GLY A 62 15.554 -6.354 6.696 1.00 21.23 H new ATOM 0 HA2 GLY A 62 14.425 -8.545 8.173 1.00 43.34 H new ATOM 0 HA3 GLY A 62 15.188 -8.576 6.596 1.00 43.34 H new ATOM 977 N SER A 63 16.749 -8.612 9.511 1.00 32.44 N ATOM 978 CA SER A 63 17.794 -9.283 10.276 1.00 55.04 C ATOM 979 C SER A 63 17.445 -9.245 11.756 1.00 64.31 C ATOM 980 O SER A 63 16.896 -8.258 12.248 1.00 34.44 O ATOM 981 CB SER A 63 19.167 -8.638 10.045 1.00 2.41 C ATOM 982 OG SER A 63 19.541 -8.711 8.677 1.00 62.04 O ATOM 0 H SER A 63 16.202 -7.945 10.055 1.00 32.44 H new ATOM 0 HA SER A 63 17.852 -10.317 9.936 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.141 -7.596 10.363 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.916 -9.140 10.658 1.00 2.41 H new ATOM 0 HG SER A 63 18.919 -9.298 8.199 1.00 62.04 H new ATOM 988 N TRP A 64 17.747 -10.327 12.451 1.00 43.33 N ATOM 989 CA TRP A 64 17.461 -10.425 13.870 1.00 43.33 C ATOM 990 C TRP A 64 18.520 -9.642 14.648 1.00 14.23 C ATOM 991 O TRP A 64 19.716 -9.900 14.505 1.00 63.32 O ATOM 992 CB TRP A 64 17.439 -11.898 14.291 1.00 65.43 C ATOM 993 CG TRP A 64 16.655 -12.769 13.347 1.00 63.21 C ATOM 994 CD1 TRP A 64 17.144 -13.447 12.266 1.00 40.32 C ATOM 995 CD2 TRP A 64 15.247 -13.052 13.390 1.00 51.21 C ATOM 996 NE1 TRP A 64 16.132 -14.131 11.638 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.959 -13.907 12.308 1.00 3.21 C ATOM 998 CE3 TRP A 64 14.205 -12.669 14.237 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.672 -14.382 12.052 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.931 -13.140 13.984 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.674 -13.988 12.901 1.00 30.45 C ATOM 0 H TRP A 64 18.192 -11.154 12.053 1.00 43.33 H new ATOM 0 HA TRP A 64 16.482 -9.998 14.088 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.463 -12.268 14.352 1.00 65.43 H new ATOM 0 HB3 TRP A 64 17.011 -11.978 15.290 1.00 65.43 H new ATOM 0 HD1 TRP A 64 18.177 -13.445 11.951 1.00 40.32 H new ATOM 0 HE1 TRP A 64 16.237 -14.712 10.806 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.392 -12.015 15.076 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.471 -15.035 11.216 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 12.119 -12.848 14.634 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.667 -14.339 12.732 1.00 30.45 H new ATOM 1012 N THR A 65 18.075 -8.699 15.470 1.00 64.24 N ATOM 1013 CA THR A 65 18.962 -7.701 16.078 1.00 62.45 C ATOM 1014 C THR A 65 19.821 -8.237 17.234 1.00 71.12 C ATOM 1015 O THR A 65 20.139 -7.498 18.170 1.00 30.41 O ATOM 1016 CB THR A 65 18.143 -6.505 16.581 1.00 0.54 C ATOM 1017 OG1 THR A 65 17.003 -6.960 17.322 1.00 14.20 O ATOM 1018 CG2 THR A 65 17.692 -5.650 15.413 1.00 4.51 C ATOM 0 H THR A 65 17.095 -8.600 15.736 1.00 64.24 H new ATOM 0 HA THR A 65 19.651 -7.404 15.287 1.00 62.45 H new ATOM 0 HB THR A 65 18.773 -5.904 17.237 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.489 -6.188 17.639 1.00 14.20 H new ATOM 0 HG21 THR A 65 17.112 -4.805 15.783 1.00 4.51 H new ATOM 0 HG22 THR A 65 18.565 -5.282 14.873 1.00 4.51 H new ATOM 0 HG23 THR A 65 17.075 -6.247 14.742 1.00 4.51 H new ATOM 1026 N ASP A 66 20.217 -9.500 17.160 1.00 71.12 N ATOM 1027 CA ASP A 66 21.105 -10.087 18.165 1.00 34.33 C ATOM 1028 C ASP A 66 21.767 -11.345 17.608 1.00 13.42 C ATOM 1029 O ASP A 66 22.374 -12.116 18.345 1.00 3.12 O ATOM 1030 CB ASP A 66 20.323 -10.436 19.448 1.00 63.41 C ATOM 1031 CG ASP A 66 21.218 -10.867 20.604 1.00 40.15 C ATOM 1032 OD1 ASP A 66 21.392 -12.088 20.817 1.00 25.14 O ATOM 1033 OD2 ASP A 66 21.744 -9.984 21.312 1.00 24.04 O1- ATOM 0 H ASP A 66 19.940 -10.141 16.417 1.00 71.12 H new ATOM 0 HA ASP A 66 21.873 -9.354 18.413 1.00 34.33 H new ATOM 0 HB2 ASP A 66 19.738 -9.569 19.755 1.00 63.41 H new ATOM 0 HB3 ASP A 66 19.616 -11.236 19.228 1.00 63.41 H new ATOM 1038 N MET A 67 21.687 -11.545 16.295 1.00 22.12 N ATOM 1039 CA MET A 67 22.010 -12.852 15.735 1.00 54.13 C ATOM 1040 C MET A 67 23.522 -13.104 15.672 1.00 53.22 C ATOM 1041 O MET A 67 24.166 -12.942 14.634 1.00 32.02 O ATOM 1042 CB MET A 67 21.361 -12.974 14.347 1.00 11.22 C ATOM 1043 CG MET A 67 21.755 -14.214 13.562 1.00 72.34 C ATOM 1044 SD MET A 67 20.782 -14.419 12.059 1.00 2.02 S ATOM 1045 CE MET A 67 21.612 -15.819 11.312 1.00 10.45 C ATOM 0 H MET A 67 21.409 -10.838 15.615 1.00 22.12 H new ATOM 0 HA MET A 67 21.607 -13.621 16.395 1.00 54.13 H new ATOM 0 HB2 MET A 67 20.278 -12.967 14.467 1.00 11.22 H new ATOM 0 HB3 MET A 67 21.623 -12.093 13.761 1.00 11.22 H new ATOM 0 HG2 MET A 67 22.812 -14.154 13.301 1.00 72.34 H new ATOM 0 HG3 MET A 67 21.632 -15.094 14.193 1.00 72.34 H new ATOM 0 HE1 MET A 67 21.000 -16.215 10.501 1.00 10.45 H new ATOM 0 HE2 MET A 67 22.577 -15.501 10.917 1.00 10.45 H new ATOM 0 HE3 MET A 67 21.765 -16.594 12.063 1.00 10.45 H new ATOM 1055 N ASP A 68 24.067 -13.459 16.829 1.00 24.31 N ATOM 1056 CA ASP A 68 25.340 -14.155 16.972 1.00 2.01 C ATOM 1057 C ASP A 68 25.468 -14.594 18.418 1.00 63.14 C ATOM 1058 O ASP A 68 25.981 -13.843 19.250 1.00 55.15 O ATOM 1059 CB ASP A 68 26.540 -13.292 16.565 1.00 13.54 C ATOM 1060 CG ASP A 68 27.858 -14.021 16.764 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.669 -13.579 17.605 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.084 -15.053 16.095 1.00 51.53 O1- ATOM 0 H ASP A 68 23.619 -13.264 17.724 1.00 24.31 H new ATOM 0 HA ASP A 68 25.347 -15.012 16.299 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.440 -13.002 15.519 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.542 -12.373 17.152 1.00 13.54 H new ATOM 1067 N THR A 69 24.976 -15.772 18.744 1.00 35.52 N ATOM 1068 CA THR A 69 24.865 -16.157 20.143 1.00 74.33 C ATOM 1069 C THR A 69 24.930 -17.674 20.309 1.00 61.54 C ATOM 1070 O THR A 69 24.087 -18.399 19.780 1.00 13.04 O ATOM 1071 CB THR A 69 23.529 -15.642 20.736 1.00 11.41 C ATOM 1072 OG1 THR A 69 23.143 -14.410 20.106 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.636 -15.415 22.234 1.00 22.51 C ATOM 0 H THR A 69 24.651 -16.471 18.076 1.00 35.52 H new ATOM 0 HA THR A 69 25.705 -15.709 20.674 1.00 74.33 H new ATOM 0 HB THR A 69 22.776 -16.407 20.549 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.521 -13.926 20.688 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.681 -15.054 22.616 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.893 -16.353 22.727 1.00 22.51 H new ATOM 0 HG23 THR A 69 24.411 -14.675 22.435 1.00 22.51 H new ATOM 1081 N PRO A 70 25.946 -18.176 21.024 1.00 34.41 N ATOM 1082 CA PRO A 70 26.057 -19.591 21.356 1.00 42.43 C ATOM 1083 C PRO A 70 25.143 -19.961 22.522 1.00 23.34 C ATOM 1084 O PRO A 70 25.455 -19.685 23.682 1.00 64.14 O ATOM 1085 CB PRO A 70 27.535 -19.770 21.746 1.00 61.51 C ATOM 1086 CG PRO A 70 28.183 -18.438 21.531 1.00 11.35 C ATOM 1087 CD PRO A 70 27.081 -17.417 21.552 1.00 41.03 C ATOM 0 HA PRO A 70 25.757 -20.233 20.528 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.629 -20.086 22.785 1.00 61.51 H new ATOM 0 HB3 PRO A 70 28.009 -20.538 21.135 1.00 61.51 H new ATOM 0 HG2 PRO A 70 28.916 -18.233 22.311 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.715 -18.415 20.580 1.00 11.35 H new ATOM 0 HD2 PRO A 70 26.889 -17.045 22.559 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.316 -16.552 20.932 1.00 41.03 H new ATOM 1095 N SER A 71 24.001 -20.552 22.209 1.00 21.45 N ATOM 1096 CA SER A 71 23.037 -20.946 23.225 1.00 53.41 C ATOM 1097 C SER A 71 23.451 -22.254 23.899 1.00 14.12 C ATOM 1098 O SER A 71 23.542 -23.299 23.255 1.00 73.30 O ATOM 1099 CB SER A 71 21.654 -21.065 22.590 1.00 41.55 C ATOM 1100 OG SER A 71 21.752 -21.543 21.257 1.00 70.34 O ATOM 0 H SER A 71 23.718 -20.771 21.254 1.00 21.45 H new ATOM 0 HA SER A 71 23.005 -20.182 24.001 1.00 53.41 H new ATOM 0 HB2 SER A 71 21.035 -21.742 23.179 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.160 -20.093 22.598 1.00 41.55 H new ATOM 0 HG SER A 71 20.855 -21.614 20.868 1.00 70.34 H new ATOM 1106 N ARG A 72 23.714 -22.175 25.197 1.00 45.03 N ATOM 1107 CA ARG A 72 24.178 -23.320 25.970 1.00 4.44 C ATOM 1108 C ARG A 72 23.007 -24.110 26.547 1.00 75.30 C ATOM 1109 O ARG A 72 22.111 -23.546 27.180 1.00 23.40 O ATOM 1110 CB ARG A 72 25.105 -22.843 27.096 1.00 34.44 C ATOM 1111 CG ARG A 72 24.469 -21.811 28.023 1.00 12.31 C ATOM 1112 CD ARG A 72 25.480 -21.228 28.998 1.00 24.33 C ATOM 1113 NE ARG A 72 26.564 -20.537 28.308 1.00 52.22 N ATOM 1114 CZ ARG A 72 27.488 -19.798 28.916 1.00 64.42 C ATOM 1115 NH1 ARG A 72 27.438 -19.604 30.228 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 28.451 -19.236 28.200 1.00 31.31 N ATOM 0 H ARG A 72 23.612 -21.319 25.742 1.00 45.03 H new ATOM 0 HA ARG A 72 24.730 -23.983 25.304 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.417 -23.705 27.686 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.006 -22.416 26.656 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.033 -21.008 27.428 1.00 12.31 H new ATOM 0 HG3 ARG A 72 23.654 -22.275 28.579 1.00 12.31 H new ATOM 0 HD2 ARG A 72 24.977 -20.534 29.671 1.00 24.33 H new ATOM 0 HD3 ARG A 72 25.893 -22.027 29.614 1.00 24.33 H new ATOM 0 HE ARG A 72 26.617 -20.626 27.293 1.00 52.22 H new ATOM 0 HH11 ARG A 72 26.687 -20.023 30.777 1.00 45.44 H new ATOM 0 HH12 ARG A 72 28.150 -19.036 30.687 1.00 45.44 H new ATOM 0 HH21 ARG A 72 28.480 -19.371 27.189 1.00 31.31 H new ATOM 0 HH22 ARG A 72 29.163 -18.668 28.659 1.00 31.31 H new ATOM 1130 N CYS A 73 23.016 -25.415 26.327 1.00 4.41 N ATOM 1131 CA CYS A 73 21.973 -26.281 26.853 1.00 74.22 C ATOM 1132 C CYS A 73 22.285 -26.641 28.299 1.00 15.32 C ATOM 1133 O CYS A 73 23.197 -27.426 28.574 1.00 21.44 O ATOM 1134 CB CYS A 73 21.838 -27.554 26.006 1.00 72.10 C ATOM 1135 SG CYS A 73 21.507 -27.247 24.235 1.00 53.24 S ATOM 0 H CYS A 73 23.734 -25.898 25.788 1.00 4.41 H new ATOM 0 HA CYS A 73 21.024 -25.746 26.812 1.00 74.22 H new ATOM 0 HB2 CYS A 73 22.755 -28.136 26.097 1.00 72.10 H new ATOM 0 HB3 CYS A 73 21.032 -28.164 26.414 1.00 72.10 H new ATOM 1140 N VAL A 74 21.556 -26.035 29.224 1.00 70.53 N ATOM 1141 CA VAL A 74 21.762 -26.279 30.643 1.00 64.52 C ATOM 1142 C VAL A 74 20.438 -26.635 31.301 1.00 43.42 C ATOM 1143 O VAL A 74 19.740 -25.771 31.833 1.00 34.31 O ATOM 1144 CB VAL A 74 22.391 -25.063 31.359 1.00 54.13 C ATOM 1145 CG1 VAL A 74 22.653 -25.365 32.828 1.00 11.41 C ATOM 1146 CG2 VAL A 74 23.677 -24.633 30.670 1.00 43.31 C ATOM 0 H VAL A 74 20.813 -25.368 29.016 1.00 70.53 H new ATOM 0 HA VAL A 74 22.460 -27.111 30.735 1.00 64.52 H new ATOM 0 HB VAL A 74 21.677 -24.241 31.302 1.00 54.13 H new ATOM 0 HG11 VAL A 74 23.096 -24.491 33.306 1.00 11.41 H new ATOM 0 HG12 VAL A 74 21.713 -25.612 33.322 1.00 11.41 H new ATOM 0 HG13 VAL A 74 23.338 -26.209 32.909 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.101 -23.775 31.193 1.00 43.31 H new ATOM 0 HG22 VAL A 74 24.391 -25.456 30.686 1.00 43.31 H new ATOM 0 HG23 VAL A 74 23.462 -24.359 29.637 1.00 43.31 H new ATOM 1156 N ARG A 75 20.090 -27.905 31.213 1.00 64.45 N ATOM 1157 CA ARG A 75 18.847 -28.425 31.758 1.00 54.13 C ATOM 1158 C ARG A 75 18.863 -29.938 31.638 1.00 45.21 C ATOM 1159 O ARG A 75 18.741 -30.619 32.671 1.00 37.22 O ATOM 1160 CB ARG A 75 17.626 -27.825 31.029 1.00 55.34 C ATOM 1161 CG ARG A 75 16.280 -28.402 31.464 1.00 43.51 C ATOM 1162 CD ARG A 75 15.961 -29.691 30.719 1.00 51.22 C ATOM 1163 NE ARG A 75 14.828 -30.414 31.287 1.00 74.41 N ATOM 1164 CZ ARG A 75 14.952 -31.496 32.055 1.00 23.14 C ATOM 1165 NH1 ARG A 75 16.155 -31.891 32.470 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 13.874 -32.169 32.426 1.00 4.05 N ATOM 1167 OXT ARG A 75 19.029 -30.435 30.507 1.00 37.22 O ATOM 0 H ARG A 75 20.667 -28.612 30.757 1.00 64.45 H new ATOM 0 HA ARG A 75 18.762 -28.142 32.807 1.00 54.13 H new ATOM 0 HB2 ARG A 75 17.615 -26.747 31.193 1.00 55.34 H new ATOM 0 HB3 ARG A 75 17.745 -27.983 29.957 1.00 55.34 H new ATOM 0 HG2 ARG A 75 16.294 -28.594 32.537 1.00 43.51 H new ATOM 0 HG3 ARG A 75 15.493 -27.670 31.282 1.00 43.51 H new ATOM 0 HD2 ARG A 75 15.750 -29.458 29.675 1.00 51.22 H new ATOM 0 HD3 ARG A 75 16.839 -30.337 30.730 1.00 51.22 H new ATOM 0 HE ARG A 75 13.888 -30.072 31.085 1.00 74.41 H new ATOM 0 HH11 ARG A 75 16.986 -31.365 32.200 1.00 33.54 H new ATOM 0 HH12 ARG A 75 16.245 -32.720 33.058 1.00 33.54 H new ATOM 0 HH21 ARG A 75 12.950 -31.859 32.124 1.00 4.05 H new ATOM 0 HH22 ARG A 75 13.967 -32.997 33.014 1.00 4.05 H new