USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot 180:sc= -0.0739 USER MOD Set 1.2: A 67 MET CE :methyl -110:sc= -0.121 (180deg=-0.317) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.122 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 42:sc= 0.644 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0651 F(o=-1.5!,f=-0.065) 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 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.883 (180deg=0.759) USER MOD Single : A 32 ASN : amide:sc= -0.0269 K(o=-0.027,f=-1.6!) USER MOD Single : A 38 TYR OH : rot -54:sc= -2.72! USER MOD Single : A 42 TYR OH : rot 110:sc= 0.966 USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= 1.22 (180deg=1.02) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.18) USER MOD Single : A 61 ASN : amide:sc= -0.08 K(o=-0.08,f=-0.8) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 69 THR OG1 : rot -148:sc= 0.594 USER MOD Single : A 71 SER OG : rot 39:sc= 0.097 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.642 -3.611 -6.070 1.00 35.34 N ATOM 2 CA GLY A 1 9.380 -4.199 -5.565 1.00 55.43 C ATOM 3 C GLY A 1 8.922 -3.509 -4.304 1.00 51.14 C ATOM 4 O GLY A 1 9.624 -2.632 -3.796 1.00 72.35 O ATOM 0 H1 GLY A 1 10.478 -3.190 -7.007 1.00 35.34 H new ATOM 0 H2 GLY A 1 10.970 -2.875 -5.412 1.00 35.34 H new ATOM 0 H3 GLY A 1 11.365 -4.354 -6.146 1.00 35.34 H new ATOM 0 HA2 GLY A 1 8.607 -4.117 -6.329 1.00 55.43 H new ATOM 0 HA3 GLY A 1 9.524 -5.262 -5.369 1.00 55.43 H new ATOM 10 N PRO A 2 7.746 -3.870 -3.774 1.00 72.10 N ATOM 11 CA PRO A 2 7.245 -3.301 -2.524 1.00 11.23 C ATOM 12 C PRO A 2 8.179 -3.616 -1.366 1.00 35.21 C ATOM 13 O PRO A 2 8.744 -4.710 -1.300 1.00 11.13 O ATOM 14 CB PRO A 2 5.890 -3.989 -2.320 1.00 52.12 C ATOM 15 CG PRO A 2 5.520 -4.533 -3.657 1.00 45.52 C ATOM 16 CD PRO A 2 6.815 -4.858 -4.343 1.00 34.41 C ATOM 0 HA PRO A 2 7.169 -2.214 -2.565 1.00 11.23 H new ATOM 0 HB2 PRO A 2 5.960 -4.784 -1.578 1.00 52.12 H new ATOM 0 HB3 PRO A 2 5.141 -3.283 -1.961 1.00 52.12 H new ATOM 0 HG2 PRO A 2 4.897 -5.422 -3.558 1.00 45.52 H new ATOM 0 HG3 PRO A 2 4.947 -3.804 -4.230 1.00 45.52 H new ATOM 0 HD2 PRO A 2 7.135 -5.880 -4.138 1.00 34.41 H new ATOM 0 HD3 PRO A 2 6.734 -4.760 -5.426 1.00 34.41 H new ATOM 24 N THR A 3 8.357 -2.665 -0.463 1.00 75.23 N ATOM 25 CA THR A 3 9.237 -2.871 0.671 1.00 20.44 C ATOM 26 C THR A 3 8.547 -3.710 1.737 1.00 14.14 C ATOM 27 O THR A 3 7.723 -3.211 2.505 1.00 41.35 O ATOM 28 CB THR A 3 9.695 -1.532 1.280 1.00 44.42 C ATOM 29 OG1 THR A 3 8.554 -0.742 1.639 1.00 62.22 O ATOM 30 CG2 THR A 3 10.569 -0.764 0.302 1.00 1.30 C ATOM 0 H THR A 3 7.907 -1.750 -0.494 1.00 75.23 H new ATOM 0 HA THR A 3 10.118 -3.402 0.309 1.00 20.44 H new ATOM 0 HB THR A 3 10.282 -1.744 2.173 1.00 44.42 H new ATOM 0 HG1 THR A 3 7.878 -1.315 2.057 1.00 62.22 H new ATOM 0 HG21 THR A 3 10.880 0.178 0.754 1.00 1.30 H new ATOM 0 HG22 THR A 3 11.450 -1.358 0.058 1.00 1.30 H new ATOM 0 HG23 THR A 3 10.005 -0.561 -0.608 1.00 1.30 H new ATOM 38 N SER A 4 8.862 -4.992 1.751 1.00 71.02 N ATOM 39 CA SER A 4 8.297 -5.905 2.723 1.00 42.34 C ATOM 40 C SER A 4 9.300 -6.175 3.836 1.00 25.41 C ATOM 41 O SER A 4 10.387 -6.704 3.590 1.00 72.11 O ATOM 42 CB SER A 4 7.902 -7.215 2.038 1.00 74.12 C ATOM 43 OG SER A 4 7.090 -6.974 0.901 1.00 34.13 O ATOM 0 H SER A 4 9.511 -5.425 1.094 1.00 71.02 H new ATOM 0 HA SER A 4 7.407 -5.451 3.159 1.00 42.34 H new ATOM 0 HB2 SER A 4 8.799 -7.757 1.739 1.00 74.12 H new ATOM 0 HB3 SER A 4 7.366 -7.850 2.743 1.00 74.12 H new ATOM 0 HG SER A 4 6.853 -7.827 0.481 1.00 34.13 H new ATOM 49 N GLU A 5 8.949 -5.777 5.051 1.00 73.11 N ATOM 50 CA GLU A 5 9.780 -6.056 6.213 1.00 2.22 C ATOM 51 C GLU A 5 9.726 -7.549 6.509 1.00 63.11 C ATOM 52 O GLU A 5 8.695 -8.058 6.957 1.00 33.12 O ATOM 53 CB GLU A 5 9.314 -5.275 7.450 1.00 74.03 C ATOM 54 CG GLU A 5 8.557 -3.987 7.149 1.00 3.23 C ATOM 55 CD GLU A 5 7.100 -4.238 6.802 1.00 61.35 C ATOM 56 OE1 GLU A 5 6.298 -4.477 7.726 1.00 21.51 O ATOM 57 OE2 GLU A 5 6.754 -4.209 5.603 1.00 22.25 O1- ATOM 0 H GLU A 5 8.094 -5.260 5.257 1.00 73.11 H new ATOM 0 HA GLU A 5 10.799 -5.742 5.987 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.675 -5.922 8.051 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.185 -5.033 8.058 1.00 74.03 H new ATOM 0 HG2 GLU A 5 8.613 -3.326 8.014 1.00 3.23 H new ATOM 0 HG3 GLU A 5 9.041 -3.470 6.320 1.00 3.23 H new ATOM 64 N GLY A 6 10.813 -8.250 6.227 1.00 13.15 N ATOM 65 CA GLY A 6 10.820 -9.683 6.399 1.00 42.42 C ATOM 66 C GLY A 6 12.212 -10.253 6.561 1.00 52.24 C ATOM 67 O GLY A 6 13.097 -10.010 5.736 1.00 3.43 O ATOM 0 H GLY A 6 11.687 -7.852 5.883 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.224 -9.941 7.274 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.341 -10.149 5.538 1.00 42.42 H new ATOM 71 N CYS A 7 12.400 -11.001 7.632 1.00 10.20 N ATOM 72 CA CYS A 7 13.653 -11.695 7.878 1.00 70.11 C ATOM 73 C CYS A 7 13.593 -13.089 7.264 1.00 4.44 C ATOM 74 O CYS A 7 12.514 -13.660 7.122 1.00 72.14 O ATOM 75 CB CYS A 7 13.918 -11.787 9.382 1.00 4.33 C ATOM 76 SG CYS A 7 13.970 -10.173 10.228 1.00 21.12 S ATOM 0 H CYS A 7 11.693 -11.145 8.353 1.00 10.20 H new ATOM 0 HA CYS A 7 14.469 -11.138 7.418 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.142 -12.400 9.840 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.866 -12.300 9.542 1.00 4.33 H new ATOM 81 N GLN A 8 14.743 -13.627 6.891 1.00 15.12 N ATOM 82 CA GLN A 8 14.802 -14.943 6.260 1.00 64.14 C ATOM 83 C GLN A 8 14.751 -16.059 7.302 1.00 64.22 C ATOM 84 O GLN A 8 14.653 -15.800 8.503 1.00 1.10 O ATOM 85 CB GLN A 8 16.072 -15.087 5.421 1.00 50.41 C ATOM 86 CG GLN A 8 17.349 -14.779 6.190 1.00 43.35 C ATOM 87 CD GLN A 8 18.603 -15.319 5.517 1.00 51.10 C ATOM 88 OE1 GLN A 8 18.498 -16.478 4.879 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 19.669 -14.707 5.598 1.00 23.50 N flip ATOM 0 H GLN A 8 15.650 -13.176 7.013 1.00 15.12 H new ATOM 0 HA GLN A 8 13.932 -15.031 5.610 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.128 -16.104 5.033 1.00 50.41 H new ATOM 0 HB3 GLN A 8 16.006 -14.421 4.561 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.444 -13.699 6.306 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.272 -15.201 7.192 1.00 43.35 H new ATOM 0 HE21 GLN A 8 19.710 -13.818 6.097 1.00 23.50 H new ATOM 0 HE22 GLN A 8 20.510 -15.089 5.166 1.00 23.50 H new ATOM 98 N ILE A 9 14.840 -17.297 6.830 1.00 54.54 N ATOM 99 CA ILE A 9 14.805 -18.460 7.705 1.00 64.42 C ATOM 100 C ILE A 9 16.204 -18.798 8.208 1.00 73.43 C ATOM 101 O ILE A 9 17.116 -19.045 7.417 1.00 71.43 O ATOM 102 CB ILE A 9 14.233 -19.700 6.977 1.00 54.42 C ATOM 103 CG1 ILE A 9 12.741 -19.538 6.701 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.486 -20.970 7.781 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.131 -20.745 6.019 1.00 23.41 C ATOM 0 H ILE A 9 14.938 -17.521 5.840 1.00 54.54 H new ATOM 0 HA ILE A 9 14.158 -18.206 8.544 1.00 64.42 H new ATOM 0 HB ILE A 9 14.750 -19.787 6.021 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.221 -19.357 7.642 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.586 -18.658 6.077 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.074 -21.827 7.247 1.00 60.45 H new ATOM 0 HG22 ILE A 9 15.559 -21.108 7.915 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.006 -20.885 8.756 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.069 -20.569 5.850 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.628 -20.913 5.063 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.257 -21.623 6.652 1.00 23.41 H new ATOM 117 N ILE A 10 16.364 -18.801 9.523 1.00 1.44 N ATOM 118 CA ILE A 10 17.616 -19.209 10.136 1.00 53.14 C ATOM 119 C ILE A 10 17.761 -20.721 10.042 1.00 15.30 C ATOM 120 O ILE A 10 16.979 -21.465 10.633 1.00 44.43 O ATOM 121 CB ILE A 10 17.694 -18.794 11.621 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.442 -17.293 11.774 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.053 -19.173 12.204 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.441 -16.827 13.214 1.00 42.33 C ATOM 0 H ILE A 10 15.640 -18.525 10.186 1.00 1.44 H new ATOM 0 HA ILE A 10 18.422 -18.710 9.598 1.00 53.14 H new ATOM 0 HB ILE A 10 16.919 -19.327 12.172 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.207 -16.746 11.223 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.483 -17.045 11.319 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.095 -18.875 13.252 1.00 25.05 H new ATOM 0 HG22 ILE A 10 19.194 -20.251 12.127 1.00 25.05 H new ATOM 0 HG23 ILE A 10 19.841 -18.664 11.650 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.257 -15.753 13.249 1.00 42.33 H new ATOM 0 HD12 ILE A 10 16.657 -17.348 13.764 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.408 -17.044 13.667 1.00 42.33 H new ATOM 136 N HIS A 11 18.744 -21.172 9.284 1.00 11.24 N ATOM 137 CA HIS A 11 18.989 -22.596 9.138 1.00 24.14 C ATOM 138 C HIS A 11 19.656 -23.143 10.392 1.00 73.03 C ATOM 139 O HIS A 11 20.648 -22.580 10.860 1.00 11.43 O ATOM 140 CB HIS A 11 19.847 -22.878 7.898 1.00 24.23 C ATOM 141 CG HIS A 11 19.081 -22.796 6.610 1.00 51.10 C ATOM 142 ND1 HIS A 11 18.745 -23.907 5.866 1.00 34.40 N ATOM 143 CD2 HIS A 11 18.576 -21.732 5.941 1.00 73.31 C ATOM 144 CE1 HIS A 11 18.064 -23.531 4.799 1.00 41.44 C ATOM 145 NE2 HIS A 11 17.945 -22.215 4.820 1.00 32.35 N ATOM 0 H HIS A 11 19.384 -20.575 8.761 1.00 11.24 H new ATOM 0 HA HIS A 11 18.032 -23.101 9.004 1.00 24.14 H new ATOM 0 HB2 HIS A 11 20.672 -22.166 7.867 1.00 24.23 H new ATOM 0 HB3 HIS A 11 20.286 -23.872 7.988 1.00 24.23 H new ATOM 0 HD2 HIS A 11 18.655 -20.696 6.234 1.00 73.31 H new ATOM 0 HE1 HIS A 11 17.671 -24.188 4.038 1.00 41.44 H new ATOM 0 HE2 HIS A 11 17.464 -21.651 4.119 1.00 32.35 H new ATOM 154 N PRO A 12 19.105 -24.236 10.958 1.00 62.10 N ATOM 155 CA PRO A 12 19.600 -24.840 12.199 1.00 31.33 C ATOM 156 C PRO A 12 21.110 -25.059 12.178 1.00 62.52 C ATOM 157 O PRO A 12 21.630 -25.780 11.323 1.00 11.24 O ATOM 158 CB PRO A 12 18.858 -26.186 12.286 1.00 52.40 C ATOM 159 CG PRO A 12 18.175 -26.358 10.968 1.00 51.45 C ATOM 160 CD PRO A 12 17.953 -24.976 10.429 1.00 4.22 C ATOM 0 HA PRO A 12 19.418 -24.193 13.057 1.00 31.33 H new ATOM 0 HB2 PRO A 12 19.553 -27.004 12.477 1.00 52.40 H new ATOM 0 HB3 PRO A 12 18.137 -26.183 13.103 1.00 52.40 H new ATOM 0 HG2 PRO A 12 18.787 -26.948 10.286 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.229 -26.887 11.086 1.00 51.45 H new ATOM 0 HD2 PRO A 12 17.930 -24.965 9.339 1.00 4.22 H new ATOM 0 HD3 PRO A 12 17.008 -24.554 10.772 1.00 4.22 H new ATOM 168 N PRO A 13 21.832 -24.414 13.107 1.00 72.42 N ATOM 169 CA PRO A 13 23.286 -24.491 13.177 1.00 11.03 C ATOM 170 C PRO A 13 23.769 -25.812 13.772 1.00 21.12 C ATOM 171 O PRO A 13 24.087 -26.755 13.047 1.00 10.42 O ATOM 172 CB PRO A 13 23.678 -23.311 14.087 1.00 63.12 C ATOM 173 CG PRO A 13 22.407 -22.574 14.380 1.00 12.24 C ATOM 174 CD PRO A 13 21.289 -23.549 14.156 1.00 11.22 C ATOM 0 HA PRO A 13 23.739 -24.442 12.187 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.144 -23.666 15.006 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.401 -22.661 13.593 1.00 63.12 H new ATOM 0 HG2 PRO A 13 22.400 -22.205 15.405 1.00 12.24 H new ATOM 0 HG3 PRO A 13 22.302 -21.707 13.728 1.00 12.24 H new ATOM 0 HD2 PRO A 13 21.050 -24.108 15.061 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.373 -23.051 13.838 1.00 11.22 H new ATOM 182 N TRP A 14 23.810 -25.878 15.091 1.00 13.53 N ATOM 183 CA TRP A 14 24.293 -27.055 15.785 1.00 55.11 C ATOM 184 C TRP A 14 23.114 -27.883 16.287 1.00 13.40 C ATOM 185 O TRP A 14 21.960 -27.541 16.025 1.00 31.14 O ATOM 186 CB TRP A 14 25.213 -26.647 16.945 1.00 53.25 C ATOM 187 CG TRP A 14 26.189 -27.720 17.325 1.00 30.52 C ATOM 188 CD1 TRP A 14 26.201 -28.455 18.473 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.291 -28.183 16.536 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.242 -29.350 18.446 1.00 11.25 N ATOM 191 CE2 TRP A 14 27.928 -29.199 17.269 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.802 -27.835 15.281 1.00 52.43 C ATOM 193 CZ2 TRP A 14 29.047 -29.874 16.789 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.914 -28.504 14.806 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.525 -29.512 15.559 1.00 71.42 C ATOM 0 H TRP A 14 23.511 -25.122 15.706 1.00 13.53 H new ATOM 0 HA TRP A 14 24.872 -27.666 15.093 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.761 -25.747 16.667 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.604 -26.394 17.813 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.496 -28.349 19.284 1.00 34.14 H new ATOM 0 HE1 TRP A 14 27.468 -30.019 19.182 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.336 -27.058 14.694 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.520 -30.655 17.366 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.318 -28.245 13.838 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.393 -30.016 15.161 1.00 71.42 H new ATOM 206 N GLU A 15 23.423 -28.980 16.975 1.00 44.34 N ATOM 207 CA GLU A 15 22.418 -29.864 17.566 1.00 22.34 C ATOM 208 C GLU A 15 21.357 -29.093 18.344 1.00 24.33 C ATOM 209 O GLU A 15 21.590 -28.647 19.471 1.00 3.10 O ATOM 210 CB GLU A 15 23.086 -30.893 18.478 1.00 35.12 C ATOM 211 CG GLU A 15 23.677 -32.068 17.723 1.00 53.31 C ATOM 212 CD GLU A 15 22.617 -32.861 16.989 1.00 41.30 C ATOM 213 OE1 GLU A 15 22.000 -33.749 17.611 1.00 63.35 O ATOM 214 OE2 GLU A 15 22.388 -32.591 15.791 1.00 74.13 O1- ATOM 0 H GLU A 15 24.383 -29.283 17.140 1.00 44.34 H new ATOM 0 HA GLU A 15 21.917 -30.375 16.744 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.874 -30.404 19.050 1.00 35.12 H new ATOM 0 HB3 GLU A 15 22.353 -31.262 19.196 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.417 -31.705 17.010 1.00 53.31 H new ATOM 0 HG3 GLU A 15 24.200 -32.721 18.421 1.00 53.31 H new ATOM 221 N GLY A 16 20.199 -28.938 17.722 1.00 71.54 N ATOM 222 CA GLY A 16 19.102 -28.216 18.323 1.00 11.25 C ATOM 223 C GLY A 16 18.005 -27.956 17.316 1.00 0.41 C ATOM 224 O GLY A 16 17.895 -28.674 16.319 1.00 33.22 O ATOM 0 H GLY A 16 19.999 -29.308 16.793 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.703 -28.787 19.161 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.463 -27.269 18.725 1.00 11.25 H new ATOM 228 N GLY A 17 17.192 -26.947 17.570 1.00 23.54 N ATOM 229 CA GLY A 17 16.149 -26.577 16.640 1.00 23.21 C ATOM 230 C GLY A 17 15.662 -25.171 16.892 1.00 4.21 C ATOM 231 O GLY A 17 16.245 -24.448 17.703 1.00 73.45 O ATOM 0 H GLY A 17 17.236 -26.372 18.411 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.524 -26.657 15.620 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.316 -27.274 16.729 1.00 23.21 H new ATOM 235 N ILE A 18 14.589 -24.785 16.227 1.00 13.11 N ATOM 236 CA ILE A 18 14.046 -23.451 16.389 1.00 4.12 C ATOM 237 C ILE A 18 12.567 -23.493 16.716 1.00 21.53 C ATOM 238 O ILE A 18 11.776 -24.165 16.051 1.00 64.33 O ATOM 239 CB ILE A 18 14.306 -22.562 15.153 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.772 -22.138 15.151 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.388 -21.342 15.141 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.145 -21.204 14.017 1.00 70.34 C ATOM 0 H ILE A 18 14.078 -25.376 15.571 1.00 13.11 H new ATOM 0 HA ILE A 18 14.570 -23.000 17.232 1.00 4.12 H new ATOM 0 HB ILE A 18 14.088 -23.134 14.251 1.00 60.43 H new ATOM 0 HG12 ILE A 18 15.999 -21.650 16.099 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.397 -23.029 15.094 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.597 -20.738 14.258 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.348 -21.669 15.119 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.562 -20.747 16.037 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.203 -20.950 14.087 1.00 70.34 H new ATOM 0 HD12 ILE A 18 15.952 -21.695 13.063 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.549 -20.294 14.084 1.00 70.34 H new ATOM 254 N ARG A 19 12.221 -22.777 17.762 1.00 44.43 N ATOM 255 CA ARG A 19 10.866 -22.699 18.252 1.00 12.34 C ATOM 256 C ARG A 19 10.174 -21.491 17.640 1.00 54.31 C ATOM 257 O ARG A 19 10.738 -20.400 17.619 1.00 14.40 O ATOM 258 CB ARG A 19 10.915 -22.565 19.768 1.00 21.13 C ATOM 259 CG ARG A 19 9.591 -22.798 20.469 1.00 74.22 C ATOM 260 CD ARG A 19 9.072 -24.204 20.240 1.00 2.13 C ATOM 261 NE ARG A 19 8.209 -24.639 21.333 1.00 34.34 N ATOM 262 CZ ARG A 19 6.995 -25.158 21.173 1.00 15.24 C ATOM 263 NH1 ARG A 19 6.454 -25.238 19.965 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 6.318 -25.574 22.239 1.00 45.00 N ATOM 0 H ARG A 19 12.885 -22.224 18.304 1.00 44.43 H new ATOM 0 HA ARG A 19 10.308 -23.594 17.978 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.646 -23.273 20.158 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.273 -21.566 20.019 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.711 -22.624 21.538 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.857 -22.077 20.109 1.00 74.22 H new ATOM 0 HD2 ARG A 19 8.519 -24.241 19.301 1.00 2.13 H new ATOM 0 HD3 ARG A 19 9.912 -24.892 20.142 1.00 2.13 H new ATOM 0 HE ARG A 19 8.561 -24.538 22.285 1.00 34.34 H new ATOM 0 HH11 ARG A 19 6.969 -24.900 19.152 1.00 45.21 H new ATOM 0 HH12 ARG A 19 5.523 -25.637 19.849 1.00 45.21 H new ATOM 0 HH21 ARG A 19 6.730 -25.494 23.168 1.00 45.00 H new ATOM 0 HH22 ARG A 19 5.386 -25.974 22.127 1.00 45.00 H new ATOM 278 N TYR A 20 8.967 -21.677 17.138 1.00 74.35 N ATOM 279 CA TYR A 20 8.252 -20.589 16.497 1.00 40.55 C ATOM 280 C TYR A 20 7.122 -20.089 17.386 1.00 34.25 C ATOM 281 O TYR A 20 7.009 -20.491 18.546 1.00 72.21 O ATOM 282 CB TYR A 20 7.722 -21.035 15.134 1.00 12.44 C ATOM 283 CG TYR A 20 8.826 -21.322 14.141 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.316 -22.609 13.966 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.382 -20.300 13.384 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.332 -22.869 13.064 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.396 -20.551 12.480 1.00 52.11 C ATOM 288 CZ TYR A 20 10.865 -21.836 12.323 1.00 34.52 C ATOM 289 OH TYR A 20 11.874 -22.091 11.423 1.00 22.43 O ATOM 0 H TYR A 20 8.464 -22.564 17.161 1.00 74.35 H new ATOM 0 HA TYR A 20 8.944 -19.761 16.341 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.113 -21.930 15.261 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.070 -20.260 14.731 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.897 -23.420 14.543 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.016 -19.291 13.504 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.705 -23.875 12.941 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.818 -19.744 11.900 1.00 52.11 H new ATOM 0 HH TYR A 20 12.137 -21.257 10.982 1.00 22.43 H new ATOM 299 N ARG A 21 6.285 -19.221 16.843 1.00 4.04 N ATOM 300 CA ARG A 21 5.236 -18.594 17.628 1.00 43.13 C ATOM 301 C ARG A 21 3.864 -19.035 17.125 1.00 4.10 C ATOM 302 O ARG A 21 3.025 -19.497 17.898 1.00 52.41 O ATOM 303 CB ARG A 21 5.364 -17.071 17.541 1.00 74.30 C ATOM 304 CG ARG A 21 4.898 -16.332 18.788 1.00 52.33 C ATOM 305 CD ARG A 21 4.966 -14.827 18.585 1.00 1.31 C ATOM 306 NE ARG A 21 4.832 -14.083 19.835 1.00 72.30 N ATOM 307 CZ ARG A 21 3.763 -13.365 20.171 1.00 63.53 C ATOM 308 NH1 ARG A 21 2.680 -13.359 19.404 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 3.777 -12.650 21.285 1.00 24.04 N ATOM 0 H ARG A 21 6.311 -18.935 15.864 1.00 4.04 H new ATOM 0 HA ARG A 21 5.340 -18.902 18.668 1.00 43.13 H new ATOM 0 HB2 ARG A 21 6.406 -16.816 17.350 1.00 74.30 H new ATOM 0 HB3 ARG A 21 4.787 -16.718 16.686 1.00 74.30 H new ATOM 0 HG2 ARG A 21 3.876 -16.625 19.028 1.00 52.33 H new ATOM 0 HG3 ARG A 21 5.519 -16.617 19.637 1.00 52.33 H new ATOM 0 HD2 ARG A 21 5.915 -14.571 18.114 1.00 1.31 H new ATOM 0 HD3 ARG A 21 4.177 -14.521 17.898 1.00 1.31 H new ATOM 0 HE ARG A 21 5.610 -14.116 20.494 1.00 72.30 H new ATOM 0 HH11 ARG A 21 2.660 -13.909 18.545 1.00 42.32 H new ATOM 0 HH12 ARG A 21 1.867 -12.804 19.673 1.00 42.32 H new ATOM 0 HH21 ARG A 21 4.605 -12.651 21.881 1.00 24.04 H new ATOM 0 HH22 ARG A 21 2.960 -12.098 21.547 1.00 24.04 H new ATOM 323 N GLY A 22 3.648 -18.901 15.821 1.00 11.55 N ATOM 324 CA GLY A 22 2.359 -19.235 15.244 1.00 50.05 C ATOM 325 C GLY A 22 2.479 -20.009 13.946 1.00 71.12 C ATOM 326 O GLY A 22 1.625 -19.900 13.071 1.00 54.54 O ATOM 0 H GLY A 22 4.343 -18.567 15.153 1.00 11.55 H new ATOM 0 HA2 GLY A 22 1.787 -19.824 15.961 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.798 -18.318 15.064 1.00 50.05 H new ATOM 330 N LEU A 23 3.538 -20.795 13.816 1.00 51.01 N ATOM 331 CA LEU A 23 3.726 -21.624 12.633 1.00 52.44 C ATOM 332 C LEU A 23 3.537 -23.091 12.983 1.00 5.12 C ATOM 333 O LEU A 23 4.115 -23.587 13.950 1.00 0.51 O ATOM 334 CB LEU A 23 5.114 -21.404 12.021 1.00 44.13 C ATOM 335 CG LEU A 23 5.333 -20.032 11.378 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.752 -19.913 10.849 1.00 34.31 C ATOM 337 CD2 LEU A 23 4.333 -19.796 10.256 1.00 3.33 C ATOM 0 H LEU A 23 4.279 -20.877 14.513 1.00 51.01 H new ATOM 0 HA LEU A 23 2.978 -21.334 11.895 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.863 -21.546 12.800 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.287 -22.172 11.268 1.00 44.13 H new ATOM 0 HG LEU A 23 5.179 -19.271 12.143 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.890 -18.932 10.395 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.458 -20.036 11.670 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.928 -20.686 10.101 1.00 34.31 H new ATOM 0 HD21 LEU A 23 4.507 -18.815 9.814 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.454 -20.565 9.493 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.320 -19.839 10.656 1.00 3.33 H new ATOM 349 N THR A 24 2.712 -23.774 12.205 1.00 45.31 N ATOM 350 CA THR A 24 2.469 -25.190 12.410 1.00 75.32 C ATOM 351 C THR A 24 3.608 -26.012 11.804 1.00 64.12 C ATOM 352 O THR A 24 4.558 -25.454 11.243 1.00 23.12 O ATOM 353 CB THR A 24 1.115 -25.619 11.795 1.00 73.21 C ATOM 354 OG1 THR A 24 0.767 -26.942 12.225 1.00 0.00 O ATOM 355 CG2 THR A 24 1.161 -25.566 10.272 1.00 12.52 C ATOM 0 H THR A 24 2.198 -23.367 11.423 1.00 45.31 H new ATOM 0 HA THR A 24 2.426 -25.375 13.483 1.00 75.32 H new ATOM 0 HB THR A 24 0.355 -24.918 12.141 1.00 73.21 H new ATOM 0 HG1 THR A 24 -0.092 -27.199 11.830 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.196 -25.873 9.868 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.383 -24.549 9.950 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.937 -26.239 9.908 1.00 12.52 H new ATOM 363 N ARG A 25 3.508 -27.332 11.919 1.00 3.14 N ATOM 364 CA ARG A 25 4.537 -28.224 11.406 1.00 73.32 C ATOM 365 C ARG A 25 4.484 -28.291 9.881 1.00 50.00 C ATOM 366 O ARG A 25 3.701 -27.574 9.251 1.00 5.42 O ATOM 367 CB ARG A 25 4.353 -29.624 12.001 1.00 33.05 C ATOM 368 CG ARG A 25 3.033 -30.279 11.623 1.00 24.32 C ATOM 369 CD ARG A 25 2.879 -31.636 12.285 1.00 10.33 C ATOM 370 NE ARG A 25 1.723 -32.368 11.769 1.00 33.14 N ATOM 371 CZ ARG A 25 1.392 -33.594 12.166 1.00 2.41 C ATOM 372 NH1 ARG A 25 2.092 -34.191 13.120 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 0.358 -34.220 11.619 1.00 62.54 N ATOM 0 H ARG A 25 2.723 -27.807 12.364 1.00 3.14 H new ATOM 0 HA ARG A 25 5.512 -27.834 11.697 1.00 73.32 H new ATOM 0 HB2 ARG A 25 5.173 -30.261 11.669 1.00 33.05 H new ATOM 0 HB3 ARG A 25 4.419 -29.559 13.087 1.00 33.05 H new ATOM 0 HG2 ARG A 25 2.207 -29.633 11.918 1.00 24.32 H new ATOM 0 HG3 ARG A 25 2.978 -30.392 10.540 1.00 24.32 H new ATOM 0 HD2 ARG A 25 3.783 -32.224 12.122 1.00 10.33 H new ATOM 0 HD3 ARG A 25 2.774 -31.504 13.362 1.00 10.33 H new ATOM 0 HE ARG A 25 1.139 -31.914 11.067 1.00 33.14 H new ATOM 0 HH11 ARG A 25 2.883 -33.711 13.549 1.00 13.30 H new ATOM 0 HH12 ARG A 25 1.840 -35.131 13.426 1.00 13.30 H new ATOM 0 HH21 ARG A 25 -0.188 -33.761 10.890 1.00 62.54 H new ATOM 0 HH22 ARG A 25 0.109 -35.160 11.928 1.00 62.54 H new ATOM 387 N ASP A 26 5.305 -29.174 9.306 1.00 11.55 N ATOM 388 CA ASP A 26 5.440 -29.341 7.849 1.00 13.41 C ATOM 389 C ASP A 26 6.075 -28.113 7.198 1.00 2.54 C ATOM 390 O ASP A 26 6.959 -28.238 6.351 1.00 54.04 O ATOM 391 CB ASP A 26 4.095 -29.642 7.183 1.00 51.21 C ATOM 392 CG ASP A 26 4.239 -29.921 5.697 1.00 14.41 C ATOM 393 OD1 ASP A 26 4.506 -31.084 5.333 1.00 15.50 O ATOM 394 OD2 ASP A 26 4.082 -28.981 4.886 1.00 15.44 O1- ATOM 0 H ASP A 26 5.903 -29.802 9.842 1.00 11.55 H new ATOM 0 HA ASP A 26 6.099 -30.196 7.697 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.635 -30.502 7.669 1.00 51.21 H new ATOM 0 HB3 ASP A 26 3.422 -28.797 7.329 1.00 51.21 H new ATOM 399 N GLN A 27 5.620 -26.935 7.598 1.00 2.23 N ATOM 400 CA GLN A 27 6.128 -25.676 7.081 1.00 4.51 C ATOM 401 C GLN A 27 7.566 -25.429 7.522 1.00 2.23 C ATOM 402 O GLN A 27 8.263 -26.351 7.948 1.00 21.25 O ATOM 403 CB GLN A 27 5.241 -24.519 7.544 1.00 41.02 C ATOM 404 CG GLN A 27 3.849 -24.534 6.932 1.00 12.33 C ATOM 405 CD GLN A 27 3.025 -23.318 7.318 1.00 33.35 C ATOM 406 OE1 GLN A 27 3.237 -22.810 8.522 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 2.192 -22.847 6.544 1.00 42.30 N flip ATOM 0 H GLN A 27 4.883 -26.827 8.295 1.00 2.23 H new ATOM 0 HA GLN A 27 6.112 -25.735 5.993 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.151 -24.553 8.630 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.728 -23.577 7.294 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.935 -24.580 5.846 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.327 -25.437 7.249 1.00 12.33 H new ATOM 0 HE21 GLN A 27 2.057 -23.266 5.624 1.00 42.30 H new ATOM 0 HE22 GLN A 27 1.637 -22.038 6.823 1.00 42.30 H new ATOM 416 N VAL A 28 7.988 -24.169 7.387 1.00 40.51 N ATOM 417 CA VAL A 28 9.347 -23.707 7.703 1.00 21.23 C ATOM 418 C VAL A 28 10.393 -24.417 6.837 1.00 20.45 C ATOM 419 O VAL A 28 11.596 -24.326 7.081 1.00 35.23 O ATOM 420 CB VAL A 28 9.703 -23.809 9.220 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.516 -23.395 10.079 1.00 3.34 C ATOM 422 CG2 VAL A 28 10.209 -25.189 9.626 1.00 12.44 C ATOM 0 H VAL A 28 7.382 -23.422 7.047 1.00 40.51 H new ATOM 0 HA VAL A 28 9.365 -22.644 7.462 1.00 21.23 H new ATOM 0 HB VAL A 28 10.527 -23.117 9.392 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.784 -23.473 11.133 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.242 -22.365 9.850 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.670 -24.050 9.871 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.439 -25.193 10.692 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.441 -25.934 9.417 1.00 12.44 H new ATOM 0 HG23 VAL A 28 11.109 -25.427 9.060 1.00 12.44 H new ATOM 432 N LYS A 29 9.925 -25.082 5.785 1.00 1.44 N ATOM 433 CA LYS A 29 10.821 -25.729 4.843 1.00 53.22 C ATOM 434 C LYS A 29 11.160 -24.757 3.720 1.00 71.12 C ATOM 435 O LYS A 29 12.242 -24.811 3.138 1.00 33.02 O ATOM 436 CB LYS A 29 10.195 -27.015 4.274 1.00 54.41 C ATOM 437 CG LYS A 29 9.095 -26.782 3.247 1.00 70.52 C ATOM 438 CD LYS A 29 8.642 -28.086 2.602 1.00 33.02 C ATOM 439 CE LYS A 29 7.683 -28.869 3.487 1.00 11.13 C ATOM 440 NZ LYS A 29 6.334 -28.241 3.534 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.934 -25.185 5.567 1.00 1.44 H new ATOM 0 HA LYS A 29 11.735 -26.012 5.366 1.00 53.22 H new ATOM 0 HB2 LYS A 29 10.981 -27.615 3.815 1.00 54.41 H new ATOM 0 HB3 LYS A 29 9.787 -27.601 5.098 1.00 54.41 H new ATOM 0 HG2 LYS A 29 8.244 -26.299 3.728 1.00 70.52 H new ATOM 0 HG3 LYS A 29 9.455 -26.100 2.476 1.00 70.52 H new ATOM 0 HD2 LYS A 29 8.158 -27.868 1.650 1.00 33.02 H new ATOM 0 HD3 LYS A 29 9.514 -28.702 2.382 1.00 33.02 H new ATOM 0 HE2 LYS A 29 7.596 -29.890 3.114 1.00 11.13 H new ATOM 0 HE3 LYS A 29 8.090 -28.932 4.496 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 5.687 -28.848 4.077 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 6.401 -27.309 3.991 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 5.970 -28.126 2.566 1.00 21.55 H new ATOM 454 N ALA A 30 10.227 -23.850 3.440 1.00 52.32 N ATOM 455 CA ALA A 30 10.412 -22.854 2.397 1.00 14.13 C ATOM 456 C ALA A 30 9.564 -21.614 2.668 1.00 61.32 C ATOM 457 O ALA A 30 8.403 -21.533 2.258 1.00 75.11 O ATOM 458 CB ALA A 30 10.070 -23.447 1.038 1.00 4.23 C ATOM 0 H ALA A 30 9.332 -23.788 3.926 1.00 52.32 H new ATOM 0 HA ALA A 30 11.459 -22.551 2.395 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.212 -22.692 0.265 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.721 -24.298 0.838 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.031 -23.777 1.036 1.00 4.23 H new ATOM 464 N ILE A 31 10.138 -20.666 3.394 1.00 25.12 N ATOM 465 CA ILE A 31 9.487 -19.391 3.661 1.00 40.14 C ATOM 466 C ILE A 31 10.426 -18.266 3.254 1.00 74.23 C ATOM 467 O ILE A 31 11.620 -18.310 3.557 1.00 4.24 O ATOM 468 CB ILE A 31 9.108 -19.226 5.153 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.259 -20.410 5.629 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.363 -17.912 5.375 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.907 -20.356 7.101 1.00 3.32 C ATOM 0 H ILE A 31 11.063 -20.757 3.813 1.00 25.12 H new ATOM 0 HA ILE A 31 8.563 -19.358 3.083 1.00 40.14 H new ATOM 0 HB ILE A 31 10.027 -19.205 5.738 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.339 -20.443 5.046 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.798 -21.336 5.427 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.105 -17.814 6.429 1.00 41.23 H new ATOM 0 HG22 ILE A 31 8.999 -17.078 5.078 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.452 -17.905 4.776 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.306 -21.226 7.363 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.822 -20.355 7.694 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.340 -19.448 7.306 1.00 3.32 H new ATOM 483 N ASN A 32 9.895 -17.280 2.552 1.00 72.34 N ATOM 484 CA ASN A 32 10.711 -16.181 2.054 1.00 15.12 C ATOM 485 C ASN A 32 11.029 -15.190 3.164 1.00 73.04 C ATOM 486 O ASN A 32 12.194 -14.913 3.447 1.00 13.03 O ATOM 487 CB ASN A 32 10.016 -15.462 0.890 1.00 71.30 C ATOM 488 CG ASN A 32 9.971 -16.298 -0.378 1.00 3.15 C ATOM 489 OD1 ASN A 32 9.933 -17.527 -0.328 1.00 51.12 O ATOM 490 ND2 ASN A 32 9.967 -15.638 -1.526 1.00 22.03 N ATOM 0 H ASN A 32 8.905 -17.216 2.313 1.00 72.34 H new ATOM 0 HA ASN A 32 11.646 -16.606 1.690 1.00 15.12 H new ATOM 0 HB2 ASN A 32 8.999 -15.203 1.185 1.00 71.30 H new ATOM 0 HB3 ASN A 32 10.537 -14.527 0.684 1.00 71.30 H new ATOM 0 HD21 ASN A 32 9.932 -16.149 -2.408 1.00 22.03 H new ATOM 0 HD22 ASN A 32 9.999 -14.619 -1.528 1.00 22.03 H new ATOM 497 N PHE A 33 9.990 -14.663 3.800 1.00 4.32 N ATOM 498 CA PHE A 33 10.171 -13.630 4.812 1.00 60.13 C ATOM 499 C PHE A 33 9.297 -13.890 6.034 1.00 71.25 C ATOM 500 O PHE A 33 8.185 -14.409 5.922 1.00 43.02 O ATOM 501 CB PHE A 33 9.816 -12.255 4.240 1.00 25.12 C ATOM 502 CG PHE A 33 10.564 -11.884 2.990 1.00 51.52 C ATOM 503 CD1 PHE A 33 9.920 -11.874 1.763 1.00 50.10 C ATOM 504 CD2 PHE A 33 11.905 -11.544 3.041 1.00 1.10 C ATOM 505 CE1 PHE A 33 10.600 -11.530 0.611 1.00 3.21 C ATOM 506 CE2 PHE A 33 12.590 -11.201 1.893 1.00 62.54 C ATOM 507 CZ PHE A 33 11.936 -11.193 0.675 1.00 65.33 C ATOM 0 H PHE A 33 9.020 -14.931 3.635 1.00 4.32 H new ATOM 0 HA PHE A 33 11.219 -13.651 5.112 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.747 -12.229 4.029 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.009 -11.499 5.001 1.00 25.12 H new ATOM 0 HD1 PHE A 33 8.874 -12.138 1.707 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.421 -11.547 3.990 1.00 1.10 H new ATOM 0 HE1 PHE A 33 10.086 -11.525 -0.339 1.00 3.21 H new ATOM 0 HE2 PHE A 33 13.636 -10.939 1.946 1.00 62.54 H new ATOM 0 HZ PHE A 33 12.470 -10.924 -0.224 1.00 65.33 H new ATOM 517 N LEU A 34 9.817 -13.533 7.197 1.00 45.21 N ATOM 518 CA LEU A 34 9.037 -13.520 8.427 1.00 44.33 C ATOM 519 C LEU A 34 8.683 -12.078 8.775 1.00 61.32 C ATOM 520 O LEU A 34 9.523 -11.192 8.623 1.00 5.11 O ATOM 521 CB LEU A 34 9.814 -14.163 9.587 1.00 2.10 C ATOM 522 CG LEU A 34 9.911 -15.697 9.570 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.530 -16.325 9.436 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.831 -16.185 8.459 1.00 73.11 C ATOM 0 H LEU A 34 10.788 -13.245 7.317 1.00 45.21 H new ATOM 0 HA LEU A 34 8.129 -14.102 8.272 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.825 -13.756 9.590 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.346 -13.860 10.523 1.00 2.10 H new ATOM 0 HG LEU A 34 10.342 -16.010 10.521 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.624 -17.411 9.426 1.00 10.42 H new ATOM 0 HD12 LEU A 34 7.909 -16.022 10.279 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.068 -15.992 8.507 1.00 10.42 H new ATOM 0 HD21 LEU A 34 10.876 -17.274 8.476 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.445 -15.853 7.495 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.831 -15.778 8.609 1.00 73.11 H new ATOM 536 N PRO A 35 7.446 -11.822 9.236 1.00 32.22 N ATOM 537 CA PRO A 35 6.960 -10.460 9.534 1.00 5.03 C ATOM 538 C PRO A 35 7.803 -9.732 10.586 1.00 10.23 C ATOM 539 O PRO A 35 8.503 -10.364 11.378 1.00 63.24 O ATOM 540 CB PRO A 35 5.539 -10.687 10.062 1.00 22.10 C ATOM 541 CG PRO A 35 5.489 -12.125 10.450 1.00 24.21 C ATOM 542 CD PRO A 35 6.414 -12.836 9.507 1.00 34.40 C ATOM 0 HA PRO A 35 7.011 -9.825 8.650 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.329 -10.042 10.915 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.795 -10.459 9.299 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.804 -12.262 11.484 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.475 -12.516 10.372 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.838 -13.734 9.956 1.00 34.40 H new ATOM 0 HD3 PRO A 35 5.903 -13.146 8.596 1.00 34.40 H new ATOM 550 N VAL A 36 7.701 -8.401 10.606 1.00 60.55 N ATOM 551 CA VAL A 36 8.498 -7.563 11.507 1.00 53.33 C ATOM 552 C VAL A 36 8.027 -7.699 12.968 1.00 1.10 C ATOM 553 O VAL A 36 8.533 -7.037 13.874 1.00 72.31 O ATOM 554 CB VAL A 36 8.465 -6.076 11.061 1.00 4.21 C ATOM 555 CG1 VAL A 36 7.109 -5.441 11.326 1.00 64.12 C ATOM 556 CG2 VAL A 36 9.578 -5.278 11.723 1.00 25.11 C ATOM 0 H VAL A 36 7.068 -7.876 10.003 1.00 60.55 H new ATOM 0 HA VAL A 36 9.528 -7.915 11.452 1.00 53.33 H new ATOM 0 HB VAL A 36 8.632 -6.057 9.984 1.00 4.21 H new ATOM 0 HG11 VAL A 36 7.125 -4.401 11.001 1.00 64.12 H new ATOM 0 HG12 VAL A 36 6.340 -5.982 10.775 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.889 -5.484 12.393 1.00 64.12 H new ATOM 0 HG21 VAL A 36 9.529 -4.241 11.391 1.00 25.11 H new ATOM 0 HG22 VAL A 36 9.460 -5.319 12.806 1.00 25.11 H new ATOM 0 HG23 VAL A 36 10.543 -5.702 11.447 1.00 25.11 H new ATOM 566 N ASP A 37 7.049 -8.564 13.188 1.00 75.53 N ATOM 567 CA ASP A 37 6.645 -8.930 14.537 1.00 0.24 C ATOM 568 C ASP A 37 6.482 -10.435 14.634 1.00 61.43 C ATOM 569 O ASP A 37 5.430 -10.983 14.305 1.00 74.15 O ATOM 570 CB ASP A 37 5.350 -8.232 14.955 1.00 1.03 C ATOM 571 CG ASP A 37 4.868 -8.693 16.320 1.00 73.54 C ATOM 572 OD1 ASP A 37 3.835 -9.392 16.386 1.00 11.24 O ATOM 573 OD2 ASP A 37 5.525 -8.361 17.333 1.00 24.30 O1- ATOM 0 H ASP A 37 6.520 -9.026 12.449 1.00 75.53 H new ATOM 0 HA ASP A 37 7.428 -8.601 15.220 1.00 0.24 H new ATOM 0 HB2 ASP A 37 5.509 -7.154 14.972 1.00 1.03 H new ATOM 0 HB3 ASP A 37 4.577 -8.428 14.212 1.00 1.03 H new ATOM 578 N TYR A 38 7.548 -11.100 15.040 1.00 64.13 N ATOM 579 CA TYR A 38 7.532 -12.537 15.223 1.00 64.04 C ATOM 580 C TYR A 38 8.634 -12.932 16.189 1.00 13.41 C ATOM 581 O TYR A 38 9.756 -12.441 16.084 1.00 72.14 O ATOM 582 CB TYR A 38 7.724 -13.255 13.885 1.00 31.23 C ATOM 583 CG TYR A 38 7.271 -14.695 13.917 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.119 -15.707 14.342 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.982 -15.034 13.538 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.692 -17.018 14.390 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.546 -16.342 13.579 1.00 74.11 C ATOM 588 CZ TYR A 38 6.404 -17.330 14.007 1.00 52.12 C ATOM 589 OH TYR A 38 5.968 -18.633 14.060 1.00 52.04 O ATOM 0 H TYR A 38 8.444 -10.661 15.251 1.00 64.13 H new ATOM 0 HA TYR A 38 6.565 -12.831 15.631 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.171 -12.723 13.111 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.777 -13.217 13.607 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.129 -15.465 14.640 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.307 -14.260 13.204 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.362 -17.796 14.726 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.539 -16.589 13.278 1.00 74.11 H new ATOM 0 HH TYR A 38 6.584 -19.205 13.556 1.00 52.04 H new ATOM 599 N GLU A 39 8.308 -13.803 17.132 1.00 24.42 N ATOM 600 CA GLU A 39 9.265 -14.225 18.146 1.00 12.31 C ATOM 601 C GLU A 39 9.614 -15.699 17.980 1.00 14.54 C ATOM 602 O GLU A 39 8.725 -16.543 17.851 1.00 3.41 O ATOM 603 CB GLU A 39 8.694 -13.992 19.546 1.00 45.13 C ATOM 604 CG GLU A 39 8.160 -12.587 19.765 1.00 72.52 C ATOM 605 CD GLU A 39 7.631 -12.375 21.166 1.00 31.14 C ATOM 606 OE1 GLU A 39 6.670 -13.070 21.557 1.00 5.53 O ATOM 607 OE2 GLU A 39 8.164 -11.502 21.878 1.00 51.15 O1- ATOM 0 H GLU A 39 7.387 -14.232 17.217 1.00 24.42 H new ATOM 0 HA GLU A 39 10.171 -13.631 18.022 1.00 12.31 H new ATOM 0 HB2 GLU A 39 7.891 -14.707 19.724 1.00 45.13 H new ATOM 0 HB3 GLU A 39 9.471 -14.194 20.283 1.00 45.13 H new ATOM 0 HG2 GLU A 39 8.954 -11.866 19.568 1.00 72.52 H new ATOM 0 HG3 GLU A 39 7.364 -12.389 19.047 1.00 72.52 H new ATOM 614 N ILE A 40 10.906 -16.001 17.968 1.00 4.54 N ATOM 615 CA ILE A 40 11.366 -17.385 17.911 1.00 42.33 C ATOM 616 C ILE A 40 12.247 -17.715 19.111 1.00 75.11 C ATOM 617 O ILE A 40 12.825 -16.821 19.738 1.00 0.45 O ATOM 618 CB ILE A 40 12.145 -17.702 16.614 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.362 -16.790 16.471 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.239 -17.578 15.398 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.256 -17.139 15.299 1.00 11.34 C ATOM 0 H ILE A 40 11.654 -15.308 17.997 1.00 4.54 H new ATOM 0 HA ILE A 40 10.468 -18.002 17.926 1.00 42.33 H new ATOM 0 HB ILE A 40 12.498 -18.731 16.677 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.021 -15.760 16.362 1.00 63.20 H new ATOM 0 HG13 ILE A 40 13.948 -16.836 17.389 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.807 -17.805 14.496 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.409 -18.278 15.490 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.851 -16.561 15.336 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.097 -16.447 15.264 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.628 -18.157 15.416 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.687 -17.065 14.372 1.00 11.34 H new ATOM 633 N GLU A 41 12.351 -19.001 19.416 1.00 61.12 N ATOM 634 CA GLU A 41 13.116 -19.470 20.564 1.00 13.03 C ATOM 635 C GLU A 41 14.125 -20.542 20.138 1.00 60.15 C ATOM 636 O GLU A 41 13.936 -21.219 19.127 1.00 54.15 O ATOM 637 CB GLU A 41 12.158 -20.012 21.638 1.00 74.33 C ATOM 638 CG GLU A 41 12.847 -20.647 22.836 1.00 15.40 C ATOM 639 CD GLU A 41 11.867 -21.141 23.879 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.851 -20.582 24.994 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.106 -22.089 23.593 1.00 65.45 O1- ATOM 0 H GLU A 41 11.910 -19.746 18.877 1.00 61.12 H new ATOM 0 HA GLU A 41 13.676 -18.635 20.984 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.527 -19.196 21.989 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.500 -20.750 21.180 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.461 -21.481 22.497 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.520 -19.920 23.291 1.00 15.40 H new ATOM 648 N TYR A 42 15.200 -20.675 20.903 1.00 75.13 N ATOM 649 CA TYR A 42 16.240 -21.656 20.619 1.00 70.02 C ATOM 650 C TYR A 42 16.072 -22.886 21.501 1.00 70.13 C ATOM 651 O TYR A 42 16.391 -22.856 22.688 1.00 31.24 O ATOM 652 CB TYR A 42 17.631 -21.049 20.823 1.00 71.13 C ATOM 653 CG TYR A 42 17.986 -19.983 19.813 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.823 -20.271 18.742 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.487 -18.693 19.928 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.155 -19.302 17.815 1.00 52.40 C ATOM 657 CE2 TYR A 42 17.813 -17.720 19.007 1.00 60.14 C ATOM 658 CZ TYR A 42 18.647 -18.029 17.952 1.00 71.20 C ATOM 659 OH TYR A 42 18.977 -17.057 17.031 1.00 33.12 O ATOM 0 H TYR A 42 15.376 -20.110 21.734 1.00 75.13 H new ATOM 0 HA TYR A 42 16.143 -21.957 19.576 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.687 -20.621 21.824 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.375 -21.844 20.774 1.00 71.13 H new ATOM 0 HD1 TYR A 42 19.221 -21.269 18.632 1.00 42.45 H new ATOM 0 HD2 TYR A 42 16.833 -18.447 20.752 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.808 -19.541 16.989 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.417 -16.720 19.111 1.00 60.14 H new ATOM 0 HH TYR A 42 18.191 -16.841 16.488 1.00 33.12 H new ATOM 669 N VAL A 43 15.533 -23.950 20.929 1.00 14.33 N ATOM 670 CA VAL A 43 15.297 -25.175 21.680 1.00 13.01 C ATOM 671 C VAL A 43 16.255 -26.281 21.247 1.00 43.53 C ATOM 672 O VAL A 43 16.902 -26.183 20.204 1.00 23.35 O ATOM 673 CB VAL A 43 13.844 -25.673 21.523 1.00 2.42 C ATOM 674 CG1 VAL A 43 12.876 -24.687 22.153 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.501 -25.902 20.057 1.00 10.23 C ATOM 0 H VAL A 43 15.251 -23.992 19.950 1.00 14.33 H new ATOM 0 HA VAL A 43 15.473 -24.935 22.729 1.00 13.01 H new ATOM 0 HB VAL A 43 13.753 -26.628 22.041 1.00 2.42 H new ATOM 0 HG11 VAL A 43 11.856 -25.052 22.034 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.103 -24.582 23.214 1.00 12.10 H new ATOM 0 HG13 VAL A 43 12.974 -23.718 21.664 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.472 -26.252 19.974 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.611 -24.967 19.507 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.174 -26.650 19.639 1.00 10.23 H new ATOM 685 N CYS A 44 16.347 -27.323 22.059 1.00 44.41 N ATOM 686 CA CYS A 44 17.190 -28.468 21.745 1.00 33.42 C ATOM 687 C CYS A 44 16.331 -29.692 21.435 1.00 23.24 C ATOM 688 O CYS A 44 15.102 -29.625 21.467 1.00 51.42 O ATOM 689 CB CYS A 44 18.143 -28.765 22.907 1.00 2.24 C ATOM 690 SG CYS A 44 19.351 -27.438 23.229 1.00 3.51 S ATOM 0 H CYS A 44 15.846 -27.400 22.944 1.00 44.41 H new ATOM 0 HA CYS A 44 17.784 -28.229 20.863 1.00 33.42 H new ATOM 0 HB2 CYS A 44 17.557 -28.936 23.810 1.00 2.24 H new ATOM 0 HB3 CYS A 44 18.681 -29.689 22.696 1.00 2.24 H new ATOM 695 N ARG A 45 16.980 -30.804 21.118 1.00 62.05 N ATOM 696 CA ARG A 45 16.272 -32.046 20.840 1.00 5.01 C ATOM 697 C ARG A 45 15.804 -32.691 22.137 1.00 54.03 C ATOM 698 O ARG A 45 16.592 -33.294 22.868 1.00 24.32 O ATOM 699 CB ARG A 45 17.167 -33.005 20.055 1.00 71.44 C ATOM 700 CG ARG A 45 17.605 -32.443 18.714 1.00 42.32 C ATOM 701 CD ARG A 45 16.417 -32.224 17.793 1.00 12.32 C ATOM 702 NE ARG A 45 16.739 -31.333 16.682 1.00 32.41 N ATOM 703 CZ ARG A 45 16.258 -31.467 15.449 1.00 70.05 C ATOM 704 NH1 ARG A 45 15.506 -32.515 15.130 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 16.552 -30.559 14.531 1.00 35.41 N ATOM 0 H ARG A 45 17.995 -30.871 21.047 1.00 62.05 H new ATOM 0 HA ARG A 45 15.396 -31.819 20.233 1.00 5.01 H new ATOM 0 HB2 ARG A 45 18.049 -33.239 20.650 1.00 71.44 H new ATOM 0 HB3 ARG A 45 16.633 -33.942 19.894 1.00 71.44 H new ATOM 0 HG2 ARG A 45 18.129 -31.499 18.866 1.00 42.32 H new ATOM 0 HG3 ARG A 45 18.311 -33.127 18.244 1.00 42.32 H new ATOM 0 HD2 ARG A 45 16.081 -33.184 17.401 1.00 12.32 H new ATOM 0 HD3 ARG A 45 15.589 -31.805 18.364 1.00 12.32 H new ATOM 0 HE ARG A 45 17.375 -30.556 16.863 1.00 32.41 H new ATOM 0 HH11 ARG A 45 15.294 -33.223 15.833 1.00 54.35 H new ATOM 0 HH12 ARG A 45 15.141 -32.611 14.183 1.00 54.35 H new ATOM 0 HH21 ARG A 45 17.144 -29.764 14.771 1.00 35.41 H new ATOM 0 HH22 ARG A 45 16.187 -30.655 13.583 1.00 35.41 H new ATOM 719 N GLY A 46 14.519 -32.538 22.423 1.00 62.21 N ATOM 720 CA GLY A 46 13.967 -33.035 23.663 1.00 35.13 C ATOM 721 C GLY A 46 13.925 -31.949 24.712 1.00 50.42 C ATOM 722 O GLY A 46 14.103 -30.772 24.396 1.00 24.32 O ATOM 0 H GLY A 46 13.846 -32.075 21.812 1.00 62.21 H new ATOM 0 HA2 GLY A 46 12.961 -33.417 23.490 1.00 35.13 H new ATOM 0 HA3 GLY A 46 14.567 -33.870 24.023 1.00 35.13 H new ATOM 726 N GLU A 47 13.698 -32.324 25.959 1.00 62.41 N ATOM 727 CA GLU A 47 13.663 -31.348 27.032 1.00 21.42 C ATOM 728 C GLU A 47 15.067 -31.013 27.521 1.00 12.53 C ATOM 729 O GLU A 47 15.529 -31.515 28.549 1.00 4.41 O ATOM 730 CB GLU A 47 12.783 -31.831 28.187 1.00 22.13 C ATOM 731 CG GLU A 47 12.992 -33.287 28.569 1.00 11.01 C ATOM 732 CD GLU A 47 12.210 -33.674 29.805 1.00 54.23 C ATOM 733 OE1 GLU A 47 10.974 -33.826 29.711 1.00 31.03 O ATOM 734 OE2 GLU A 47 12.830 -33.828 30.877 1.00 71.43 O1- ATOM 0 H GLU A 47 13.537 -33.288 26.251 1.00 62.41 H new ATOM 0 HA GLU A 47 13.223 -30.434 26.632 1.00 21.42 H new ATOM 0 HB2 GLU A 47 12.976 -31.208 29.060 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.737 -31.686 27.916 1.00 22.13 H new ATOM 0 HG2 GLU A 47 12.692 -33.925 27.738 1.00 11.01 H new ATOM 0 HG3 GLU A 47 14.053 -33.466 28.742 1.00 11.01 H new ATOM 741 N ARG A 48 15.756 -30.188 26.751 1.00 3.22 N ATOM 742 CA ARG A 48 17.079 -29.716 27.122 1.00 11.31 C ATOM 743 C ARG A 48 17.099 -28.199 27.034 1.00 51.34 C ATOM 744 O ARG A 48 16.868 -27.629 25.968 1.00 74.21 O ATOM 745 CB ARG A 48 18.158 -30.326 26.218 1.00 14.32 C ATOM 746 CG ARG A 48 17.940 -31.801 25.930 1.00 42.31 C ATOM 747 CD ARG A 48 19.245 -32.546 25.691 1.00 42.54 C ATOM 748 NE ARG A 48 20.074 -31.945 24.643 1.00 62.44 N ATOM 749 CZ ARG A 48 20.322 -32.525 23.467 1.00 10.24 C ATOM 750 NH1 ARG A 48 19.677 -33.637 23.125 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 21.197 -31.982 22.627 1.00 20.12 N ATOM 0 H ARG A 48 15.418 -29.829 25.858 1.00 3.22 H new ATOM 0 HA ARG A 48 17.299 -30.028 28.143 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.184 -29.779 25.275 1.00 14.32 H new ATOM 0 HB3 ARG A 48 19.132 -30.195 26.689 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.413 -32.258 26.768 1.00 42.31 H new ATOM 0 HG3 ARG A 48 17.299 -31.906 25.054 1.00 42.31 H new ATOM 0 HD2 ARG A 48 19.813 -32.576 26.621 1.00 42.54 H new ATOM 0 HD3 ARG A 48 19.021 -33.578 25.420 1.00 42.54 H new ATOM 0 HE ARG A 48 20.486 -31.029 24.823 1.00 62.44 H new ATOM 0 HH11 ARG A 48 18.993 -34.046 23.762 1.00 25.54 H new ATOM 0 HH12 ARG A 48 19.866 -34.080 22.226 1.00 25.54 H new ATOM 0 HH21 ARG A 48 21.680 -31.120 22.881 1.00 20.12 H new ATOM 0 HH22 ARG A 48 21.385 -32.427 21.729 1.00 20.12 H new ATOM 765 N GLU A 49 17.344 -27.555 28.162 1.00 44.11 N ATOM 766 CA GLU A 49 17.242 -26.110 28.254 1.00 30.02 C ATOM 767 C GLU A 49 18.560 -25.442 27.880 1.00 63.13 C ATOM 768 O GLU A 49 19.633 -26.041 27.994 1.00 72.31 O ATOM 769 CB GLU A 49 16.819 -25.712 29.671 1.00 5.24 C ATOM 770 CG GLU A 49 15.525 -26.378 30.116 1.00 21.11 C ATOM 771 CD GLU A 49 15.130 -26.010 31.531 1.00 74.41 C ATOM 772 OE1 GLU A 49 15.615 -26.661 32.477 1.00 50.41 O ATOM 773 OE2 GLU A 49 14.324 -25.069 31.702 1.00 41.04 O1- ATOM 0 H GLU A 49 17.616 -28.014 29.031 1.00 44.11 H new ATOM 0 HA GLU A 49 16.486 -25.769 27.547 1.00 30.02 H new ATOM 0 HB2 GLU A 49 17.614 -25.974 30.369 1.00 5.24 H new ATOM 0 HB3 GLU A 49 16.698 -24.630 29.717 1.00 5.24 H new ATOM 0 HG2 GLU A 49 14.723 -26.094 29.435 1.00 21.11 H new ATOM 0 HG3 GLU A 49 15.636 -27.460 30.045 1.00 21.11 H new ATOM 780 N VAL A 50 18.468 -24.207 27.416 1.00 34.14 N ATOM 781 CA VAL A 50 19.643 -23.437 27.051 1.00 54.31 C ATOM 782 C VAL A 50 19.727 -22.183 27.904 1.00 4.42 C ATOM 783 O VAL A 50 18.743 -21.459 28.052 1.00 41.03 O ATOM 784 CB VAL A 50 19.634 -23.034 25.554 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.700 -24.259 24.662 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.407 -22.199 25.209 1.00 31.42 C ATOM 0 H VAL A 50 17.585 -23.714 27.283 1.00 34.14 H new ATOM 0 HA VAL A 50 20.512 -24.072 27.225 1.00 54.31 H new ATOM 0 HB VAL A 50 20.520 -22.425 25.377 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.692 -23.949 23.617 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.616 -24.812 24.870 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.839 -24.898 24.857 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.433 -21.934 24.152 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.505 -22.775 25.417 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.404 -21.290 25.811 1.00 31.42 H new ATOM 796 N VAL A 51 20.882 -21.921 28.488 1.00 23.20 N ATOM 797 CA VAL A 51 21.044 -20.689 29.236 1.00 2.24 C ATOM 798 C VAL A 51 21.671 -19.619 28.344 1.00 12.52 C ATOM 799 O VAL A 51 22.887 -19.554 28.151 1.00 73.23 O ATOM 800 CB VAL A 51 21.867 -20.900 30.534 1.00 35.20 C ATOM 801 CG1 VAL A 51 23.172 -21.624 30.252 1.00 24.00 C ATOM 802 CG2 VAL A 51 22.122 -19.573 31.238 1.00 4.13 C ATOM 0 H VAL A 51 21.702 -22.527 28.461 1.00 23.20 H new ATOM 0 HA VAL A 51 20.057 -20.350 29.549 1.00 2.24 H new ATOM 0 HB VAL A 51 21.277 -21.530 31.200 1.00 35.20 H new ATOM 0 HG11 VAL A 51 23.724 -21.755 31.183 1.00 24.00 H new ATOM 0 HG12 VAL A 51 22.960 -22.600 29.815 1.00 24.00 H new ATOM 0 HG13 VAL A 51 23.770 -21.037 29.555 1.00 24.00 H new ATOM 0 HG21 VAL A 51 22.701 -19.748 32.145 1.00 4.13 H new ATOM 0 HG22 VAL A 51 22.678 -18.910 30.575 1.00 4.13 H new ATOM 0 HG23 VAL A 51 21.170 -19.110 31.498 1.00 4.13 H new ATOM 812 N GLY A 52 20.797 -18.831 27.748 1.00 43.00 N ATOM 813 CA GLY A 52 21.200 -17.723 26.915 1.00 12.21 C ATOM 814 C GLY A 52 20.094 -16.699 26.825 1.00 21.54 C ATOM 815 O GLY A 52 18.983 -16.968 27.284 1.00 21.14 O ATOM 0 H GLY A 52 19.787 -18.944 27.830 1.00 43.00 H new ATOM 0 HA2 GLY A 52 22.099 -17.261 27.324 1.00 12.21 H new ATOM 0 HA3 GLY A 52 21.452 -18.083 25.918 1.00 12.21 H new ATOM 819 N PRO A 53 20.349 -15.520 26.249 1.00 41.45 N ATOM 820 CA PRO A 53 19.281 -14.589 25.909 1.00 13.20 C ATOM 821 C PRO A 53 18.528 -15.067 24.668 1.00 34.33 C ATOM 822 O PRO A 53 18.755 -14.583 23.555 1.00 53.40 O ATOM 823 CB PRO A 53 20.018 -13.277 25.639 1.00 30.31 C ATOM 824 CG PRO A 53 21.392 -13.683 25.223 1.00 70.42 C ATOM 825 CD PRO A 53 21.681 -14.999 25.902 1.00 22.42 C ATOM 0 HA PRO A 53 18.531 -14.492 26.694 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.523 -12.700 24.857 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.045 -12.649 26.530 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.454 -13.785 24.140 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.123 -12.929 25.514 1.00 70.42 H new ATOM 0 HD2 PRO A 53 22.216 -15.680 25.241 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.300 -14.863 26.789 1.00 22.42 H new ATOM 833 N LYS A 54 17.655 -16.047 24.862 1.00 53.33 N ATOM 834 CA LYS A 54 16.961 -16.676 23.753 1.00 53.43 C ATOM 835 C LYS A 54 15.691 -15.912 23.398 1.00 54.24 C ATOM 836 O LYS A 54 14.607 -16.183 23.917 1.00 72.35 O ATOM 837 CB LYS A 54 16.640 -18.149 24.060 1.00 14.34 C ATOM 838 CG LYS A 54 15.918 -18.370 25.383 1.00 2.25 C ATOM 839 CD LYS A 54 15.307 -19.758 25.463 1.00 62.01 C ATOM 840 CE LYS A 54 14.548 -19.954 26.763 1.00 22.54 C ATOM 841 NZ LYS A 54 13.762 -21.212 26.759 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.413 -16.422 25.779 1.00 53.33 H new ATOM 0 HA LYS A 54 17.627 -16.649 22.890 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.027 -18.551 23.253 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.570 -18.718 24.067 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.618 -18.232 26.207 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.136 -17.620 25.500 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.633 -19.910 24.620 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.093 -20.509 25.382 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.251 -19.968 27.596 1.00 22.54 H new ATOM 0 HE3 LYS A 54 13.879 -19.108 26.924 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 13.554 -21.495 27.738 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 12.870 -21.062 26.245 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.310 -21.962 26.291 1.00 20.32 H new ATOM 855 N VAL A 55 15.841 -14.937 22.523 1.00 2.14 N ATOM 856 CA VAL A 55 14.716 -14.170 22.032 1.00 11.43 C ATOM 857 C VAL A 55 15.089 -13.486 20.728 1.00 43.22 C ATOM 858 O VAL A 55 16.141 -12.848 20.620 1.00 65.24 O ATOM 859 CB VAL A 55 14.236 -13.128 23.075 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.370 -12.205 23.500 1.00 71.14 C ATOM 861 CG2 VAL A 55 13.062 -12.323 22.536 1.00 74.12 C ATOM 0 H VAL A 55 16.742 -14.656 22.135 1.00 2.14 H new ATOM 0 HA VAL A 55 13.889 -14.857 21.854 1.00 11.43 H new ATOM 0 HB VAL A 55 13.902 -13.674 23.957 1.00 34.24 H new ATOM 0 HG11 VAL A 55 15.000 -11.487 24.232 1.00 71.14 H new ATOM 0 HG12 VAL A 55 16.172 -12.795 23.944 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.751 -11.672 22.629 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.743 -11.599 23.285 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.366 -11.798 21.630 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.235 -12.995 22.306 1.00 74.12 H new ATOM 871 N ARG A 56 14.250 -13.663 19.722 1.00 3.44 N ATOM 872 CA ARG A 56 14.473 -13.048 18.428 1.00 30.34 C ATOM 873 C ARG A 56 13.175 -12.488 17.890 1.00 34.22 C ATOM 874 O ARG A 56 12.179 -13.203 17.805 1.00 45.24 O ATOM 875 CB ARG A 56 15.015 -14.060 17.414 1.00 31.13 C ATOM 876 CG ARG A 56 16.263 -14.802 17.855 1.00 60.22 C ATOM 877 CD ARG A 56 17.431 -13.861 18.067 1.00 12.52 C ATOM 878 NE ARG A 56 18.658 -14.593 18.347 1.00 73.32 N ATOM 879 CZ ARG A 56 19.515 -14.268 19.311 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.220 -13.306 20.182 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.652 -14.939 19.424 1.00 53.04 N ATOM 0 H ARG A 56 13.405 -14.231 19.779 1.00 3.44 H new ATOM 0 HA ARG A 56 15.205 -12.253 18.567 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.234 -14.789 17.198 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.231 -13.538 16.482 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.058 -15.341 18.780 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.528 -15.547 17.104 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.568 -13.243 17.180 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.211 -13.186 18.894 1.00 12.52 H new ATOM 0 HE ARG A 56 18.874 -15.405 17.768 1.00 73.32 H new ATOM 0 HH11 ARG A 56 18.331 -12.811 20.114 1.00 41.24 H new ATOM 0 HH12 ARG A 56 19.883 -13.063 20.918 1.00 41.24 H new ATOM 0 HH21 ARG A 56 20.863 -15.697 18.775 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.316 -14.697 20.160 1.00 53.04 H new ATOM 895 N LYS A 57 13.183 -11.216 17.547 1.00 33.31 N ATOM 896 CA LYS A 57 12.084 -10.635 16.804 1.00 4.11 C ATOM 897 C LYS A 57 12.632 -9.994 15.543 1.00 15.33 C ATOM 898 O LYS A 57 13.693 -9.371 15.575 1.00 3.22 O ATOM 899 CB LYS A 57 11.301 -9.610 17.639 1.00 43.11 C ATOM 900 CG LYS A 57 10.126 -9.002 16.877 1.00 71.30 C ATOM 901 CD LYS A 57 9.235 -8.140 17.761 1.00 14.43 C ATOM 902 CE LYS A 57 8.529 -8.963 18.827 1.00 11.33 C ATOM 903 NZ LYS A 57 7.370 -8.238 19.411 1.00 52.31 N1+ ATOM 0 H LYS A 57 13.937 -10.566 17.770 1.00 33.31 H new ATOM 0 HA LYS A 57 11.382 -11.427 16.545 1.00 4.11 H new ATOM 0 HB2 LYS A 57 10.931 -10.092 18.544 1.00 43.11 H new ATOM 0 HB3 LYS A 57 11.975 -8.814 17.954 1.00 43.11 H new ATOM 0 HG2 LYS A 57 10.506 -8.398 16.053 1.00 71.30 H new ATOM 0 HG3 LYS A 57 9.530 -9.802 16.438 1.00 71.30 H new ATOM 0 HD2 LYS A 57 9.836 -7.366 18.238 1.00 14.43 H new ATOM 0 HD3 LYS A 57 8.494 -7.632 17.144 1.00 14.43 H new ATOM 0 HE2 LYS A 57 8.188 -9.903 18.393 1.00 11.33 H new ATOM 0 HE3 LYS A 57 9.235 -9.215 19.618 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 7.021 -8.755 20.243 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 7.666 -7.282 19.696 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 6.611 -8.169 18.703 1.00 52.31 H new ATOM 917 N CYS A 58 11.939 -10.193 14.434 1.00 72.13 N ATOM 918 CA CYS A 58 12.361 -9.632 13.161 1.00 62.31 C ATOM 919 C CYS A 58 12.248 -8.112 13.190 1.00 74.10 C ATOM 920 O CYS A 58 11.329 -7.560 13.794 1.00 14.35 O ATOM 921 CB CYS A 58 11.521 -10.207 12.021 1.00 65.03 C ATOM 922 SG CYS A 58 12.018 -9.633 10.366 1.00 34.12 S ATOM 0 H CYS A 58 11.079 -10.740 14.390 1.00 72.13 H new ATOM 0 HA CYS A 58 13.404 -9.900 12.991 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.585 -11.295 12.050 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.476 -9.944 12.186 1.00 65.03 H new ATOM 927 N LEU A 59 13.195 -7.446 12.555 1.00 20.31 N ATOM 928 CA LEU A 59 13.233 -5.998 12.543 1.00 35.20 C ATOM 929 C LEU A 59 13.131 -5.481 11.116 1.00 35.41 C ATOM 930 O LEU A 59 12.986 -6.259 10.176 1.00 75.32 O ATOM 931 CB LEU A 59 14.516 -5.493 13.202 1.00 75.13 C ATOM 932 CG LEU A 59 14.666 -5.835 14.686 1.00 73.02 C ATOM 933 CD1 LEU A 59 16.000 -5.330 15.211 1.00 24.20 C ATOM 934 CD2 LEU A 59 13.520 -5.246 15.495 1.00 11.24 C ATOM 0 H LEU A 59 13.953 -7.891 12.037 1.00 20.31 H new ATOM 0 HA LEU A 59 12.382 -5.623 13.111 1.00 35.20 H new ATOM 0 HB2 LEU A 59 15.369 -5.905 12.663 1.00 75.13 H new ATOM 0 HB3 LEU A 59 14.561 -4.410 13.089 1.00 75.13 H new ATOM 0 HG LEU A 59 14.636 -6.919 14.793 1.00 73.02 H new ATOM 0 HD11 LEU A 59 16.093 -5.580 16.268 1.00 24.20 H new ATOM 0 HD12 LEU A 59 16.811 -5.799 14.654 1.00 24.20 H new ATOM 0 HD13 LEU A 59 16.053 -4.248 15.088 1.00 24.20 H new ATOM 0 HD21 LEU A 59 13.648 -5.502 16.547 1.00 11.24 H new ATOM 0 HD22 LEU A 59 13.515 -4.162 15.383 1.00 11.24 H new ATOM 0 HD23 LEU A 59 12.574 -5.652 15.135 1.00 11.24 H new ATOM 946 N ALA A 60 13.193 -4.166 10.957 1.00 33.55 N ATOM 947 CA ALA A 60 13.096 -3.553 9.640 1.00 14.42 C ATOM 948 C ALA A 60 14.398 -3.726 8.862 1.00 34.01 C ATOM 949 O ALA A 60 14.495 -3.349 7.692 1.00 3.23 O ATOM 950 CB ALA A 60 12.725 -2.085 9.767 1.00 21.55 C ATOM 0 H ALA A 60 13.310 -3.504 11.724 1.00 33.55 H new ATOM 0 HA ALA A 60 12.307 -4.057 9.081 1.00 14.42 H new ATOM 0 HB1 ALA A 60 12.656 -1.640 8.774 1.00 21.55 H new ATOM 0 HB2 ALA A 60 11.763 -1.995 10.272 1.00 21.55 H new ATOM 0 HB3 ALA A 60 13.489 -1.565 10.345 1.00 21.55 H new ATOM 956 N ASN A 61 15.396 -4.289 9.527 1.00 62.21 N ATOM 957 CA ASN A 61 16.651 -4.646 8.884 1.00 25.33 C ATOM 958 C ASN A 61 16.651 -6.136 8.565 1.00 24.31 C ATOM 959 O ASN A 61 15.848 -6.889 9.110 1.00 33.40 O ATOM 960 CB ASN A 61 17.851 -4.277 9.771 1.00 32.31 C ATOM 961 CG ASN A 61 17.746 -4.829 11.182 1.00 74.35 C ATOM 962 OD1 ASN A 61 17.150 -4.205 12.058 1.00 1.31 O ATOM 963 ND2 ASN A 61 18.353 -5.980 11.422 1.00 4.55 N ATOM 0 H ASN A 61 15.359 -4.510 10.522 1.00 62.21 H new ATOM 0 HA ASN A 61 16.745 -4.082 7.956 1.00 25.33 H new ATOM 0 HB2 ASN A 61 18.765 -4.651 9.309 1.00 32.31 H new ATOM 0 HB3 ASN A 61 17.939 -3.192 9.818 1.00 32.31 H new ATOM 0 HD21 ASN A 61 18.337 -6.379 12.360 1.00 4.55 H new ATOM 0 HD22 ASN A 61 18.837 -6.468 10.669 1.00 4.55 H new ATOM 970 N GLY A 62 17.551 -6.564 7.689 1.00 21.23 N ATOM 971 CA GLY A 62 17.555 -7.948 7.236 1.00 43.34 C ATOM 972 C GLY A 62 18.177 -8.915 8.232 1.00 30.15 C ATOM 973 O GLY A 62 18.996 -9.757 7.861 1.00 74.22 O ATOM 0 H GLY A 62 18.281 -5.979 7.282 1.00 21.23 H new ATOM 0 HA2 GLY A 62 16.530 -8.258 7.034 1.00 43.34 H new ATOM 0 HA3 GLY A 62 18.099 -8.011 6.293 1.00 43.34 H new ATOM 977 N SER A 63 17.770 -8.811 9.485 1.00 32.44 N ATOM 978 CA SER A 63 18.246 -9.694 10.536 1.00 55.04 C ATOM 979 C SER A 63 17.348 -9.551 11.757 1.00 64.31 C ATOM 980 O SER A 63 16.503 -8.654 11.812 1.00 34.44 O ATOM 981 CB SER A 63 19.708 -9.384 10.902 1.00 2.41 C ATOM 982 OG SER A 63 20.232 -10.353 11.801 1.00 62.04 O ATOM 0 H SER A 63 17.099 -8.111 9.803 1.00 32.44 H new ATOM 0 HA SER A 63 18.209 -10.722 10.176 1.00 55.04 H new ATOM 0 HB2 SER A 63 20.314 -9.359 9.997 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.770 -8.394 11.354 1.00 2.41 H new ATOM 0 HG SER A 63 21.162 -10.132 12.015 1.00 62.04 H new ATOM 988 N TRP A 64 17.534 -10.428 12.727 1.00 43.33 N ATOM 989 CA TRP A 64 16.711 -10.428 13.922 1.00 43.33 C ATOM 990 C TRP A 64 17.306 -9.480 14.961 1.00 14.23 C ATOM 991 O TRP A 64 18.359 -8.887 14.726 1.00 63.32 O ATOM 992 CB TRP A 64 16.578 -11.857 14.466 1.00 65.43 C ATOM 993 CG TRP A 64 15.949 -12.804 13.480 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.545 -13.373 12.388 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.601 -13.293 13.493 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.649 -14.171 11.719 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.451 -14.142 12.380 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.505 -13.092 14.336 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.253 -14.789 12.091 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.316 -13.736 14.049 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.198 -14.573 12.935 1.00 30.45 C ATOM 0 H TRP A 64 18.252 -11.153 12.710 1.00 43.33 H new ATOM 0 HA TRP A 64 15.710 -10.071 13.679 1.00 43.33 H new ATOM 0 HB2 TRP A 64 17.565 -12.229 14.740 1.00 65.43 H new ATOM 0 HB3 TRP A 64 15.980 -11.839 15.377 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.572 -13.217 12.094 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.845 -14.699 10.868 1.00 61.14 H new ATOM 0 HE3 TRP A 64 13.585 -12.445 15.197 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.160 -15.437 11.232 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.464 -13.590 14.696 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.254 -15.059 12.737 1.00 30.45 H new ATOM 1012 N THR A 65 16.630 -9.350 16.099 1.00 64.24 N ATOM 1013 CA THR A 65 16.991 -8.371 17.128 1.00 62.45 C ATOM 1014 C THR A 65 18.475 -8.406 17.507 1.00 71.12 C ATOM 1015 O THR A 65 19.140 -7.368 17.527 1.00 30.41 O ATOM 1016 CB THR A 65 16.136 -8.575 18.392 1.00 0.54 C ATOM 1017 OG1 THR A 65 15.964 -9.979 18.649 1.00 14.20 O ATOM 1018 CG2 THR A 65 14.775 -7.912 18.246 1.00 4.51 C ATOM 0 H THR A 65 15.817 -9.918 16.337 1.00 64.24 H new ATOM 0 HA THR A 65 16.792 -7.392 16.692 1.00 62.45 H new ATOM 0 HB THR A 65 16.657 -8.112 19.230 1.00 0.54 H new ATOM 0 HG1 THR A 65 15.421 -10.100 19.456 1.00 14.20 H new ATOM 0 HG21 THR A 65 14.193 -8.072 19.153 1.00 4.51 H new ATOM 0 HG22 THR A 65 14.907 -6.842 18.084 1.00 4.51 H new ATOM 0 HG23 THR A 65 14.248 -8.346 17.396 1.00 4.51 H new ATOM 1026 N ASP A 66 18.992 -9.587 17.816 1.00 71.12 N ATOM 1027 CA ASP A 66 20.395 -9.728 18.200 1.00 34.33 C ATOM 1028 C ASP A 66 20.933 -11.078 17.758 1.00 13.42 C ATOM 1029 O ASP A 66 21.251 -11.926 18.588 1.00 3.12 O ATOM 1030 CB ASP A 66 20.558 -9.586 19.720 1.00 63.41 C ATOM 1031 CG ASP A 66 22.008 -9.481 20.154 1.00 40.15 C ATOM 1032 OD1 ASP A 66 22.714 -8.576 19.663 1.00 25.14 O ATOM 1033 OD2 ASP A 66 22.440 -10.279 21.012 1.00 24.04 O1- ATOM 0 H ASP A 66 18.465 -10.460 17.809 1.00 71.12 H new ATOM 0 HA ASP A 66 20.960 -8.937 17.707 1.00 34.33 H new ATOM 0 HB2 ASP A 66 20.019 -8.700 20.056 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.099 -10.444 20.211 1.00 63.41 H new ATOM 1038 N MET A 67 21.026 -11.308 16.457 1.00 22.12 N ATOM 1039 CA MET A 67 21.456 -12.618 16.005 1.00 54.13 C ATOM 1040 C MET A 67 22.977 -12.694 15.923 1.00 53.22 C ATOM 1041 O MET A 67 23.576 -12.519 14.858 1.00 32.02 O ATOM 1042 CB MET A 67 20.822 -12.948 14.650 1.00 11.22 C ATOM 1043 CG MET A 67 21.156 -14.340 14.139 1.00 72.34 C ATOM 1044 SD MET A 67 20.291 -14.759 12.612 1.00 2.02 S ATOM 1045 CE MET A 67 20.996 -13.563 11.479 1.00 10.45 C ATOM 0 H MET A 67 20.818 -10.632 15.722 1.00 22.12 H new ATOM 0 HA MET A 67 21.123 -13.358 16.733 1.00 54.13 H new ATOM 0 HB2 MET A 67 19.739 -12.852 14.733 1.00 11.22 H new ATOM 0 HB3 MET A 67 21.152 -12.213 13.916 1.00 11.22 H new ATOM 0 HG2 MET A 67 22.231 -14.411 13.972 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.903 -15.072 14.906 1.00 72.34 H new ATOM 0 HE1 MET A 67 20.240 -12.823 11.214 1.00 10.45 H new ATOM 0 HE2 MET A 67 21.841 -13.065 11.955 1.00 10.45 H new ATOM 0 HE3 MET A 67 21.336 -14.073 10.578 1.00 10.45 H new ATOM 1055 N ASP A 68 23.579 -12.894 17.085 1.00 24.31 N ATOM 1056 CA ASP A 68 24.954 -13.360 17.231 1.00 2.01 C ATOM 1057 C ASP A 68 25.170 -13.711 18.691 1.00 63.14 C ATOM 1058 O ASP A 68 25.531 -12.846 19.490 1.00 55.15 O ATOM 1059 CB ASP A 68 25.986 -12.325 16.773 1.00 13.54 C ATOM 1060 CG ASP A 68 27.411 -12.840 16.898 1.00 11.43 C ATOM 1061 OD1 ASP A 68 27.786 -13.757 16.134 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.163 -12.327 17.752 1.00 51.53 O1- ATOM 0 H ASP A 68 23.114 -12.733 17.978 1.00 24.31 H new ATOM 0 HA ASP A 68 25.098 -14.230 16.590 1.00 2.01 H new ATOM 0 HB2 ASP A 68 25.790 -12.053 15.736 1.00 13.54 H new ATOM 0 HB3 ASP A 68 25.876 -11.418 17.367 1.00 13.54 H new ATOM 1067 N THR A 69 24.901 -14.947 19.066 1.00 35.52 N ATOM 1068 CA THR A 69 24.883 -15.298 20.475 1.00 74.33 C ATOM 1069 C THR A 69 25.253 -16.763 20.687 1.00 61.54 C ATOM 1070 O THR A 69 24.671 -17.655 20.064 1.00 13.04 O ATOM 1071 CB THR A 69 23.482 -15.033 21.077 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.880 -13.881 20.468 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.556 -14.797 22.572 1.00 22.51 C ATOM 0 H THR A 69 24.695 -15.715 18.427 1.00 35.52 H new ATOM 0 HA THR A 69 25.623 -14.675 20.978 1.00 74.33 H new ATOM 0 HB THR A 69 22.879 -15.920 20.882 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.309 -13.426 21.122 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.555 -14.614 22.962 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.980 -15.676 23.058 1.00 22.51 H new ATOM 0 HG23 THR A 69 24.187 -13.931 22.773 1.00 22.51 H new ATOM 1081 N PRO A 70 26.237 -17.030 21.556 1.00 34.41 N ATOM 1082 CA PRO A 70 26.624 -18.394 21.912 1.00 42.43 C ATOM 1083 C PRO A 70 25.663 -19.021 22.923 1.00 23.34 C ATOM 1084 O PRO A 70 25.792 -18.828 24.134 1.00 64.14 O ATOM 1085 CB PRO A 70 28.016 -18.215 22.516 1.00 61.51 C ATOM 1086 CG PRO A 70 28.007 -16.841 23.096 1.00 11.35 C ATOM 1087 CD PRO A 70 27.070 -16.021 22.245 1.00 41.03 C ATOM 0 HA PRO A 70 26.605 -19.068 21.056 1.00 42.43 H new ATOM 0 HB2 PRO A 70 28.215 -18.966 23.281 1.00 61.51 H new ATOM 0 HB3 PRO A 70 28.792 -18.319 21.758 1.00 61.51 H new ATOM 0 HG2 PRO A 70 27.672 -16.860 24.133 1.00 11.35 H new ATOM 0 HG3 PRO A 70 29.009 -16.412 23.093 1.00 11.35 H new ATOM 0 HD2 PRO A 70 26.463 -15.350 22.853 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.616 -15.401 21.534 1.00 41.03 H new ATOM 1095 N SER A 71 24.679 -19.749 22.417 1.00 21.45 N ATOM 1096 CA SER A 71 23.698 -20.402 23.264 1.00 53.41 C ATOM 1097 C SER A 71 24.125 -21.832 23.584 1.00 14.12 C ATOM 1098 O SER A 71 24.219 -22.679 22.691 1.00 73.30 O ATOM 1099 CB SER A 71 22.331 -20.386 22.577 1.00 41.55 C ATOM 1100 OG SER A 71 22.442 -20.775 21.218 1.00 70.34 O ATOM 0 H SER A 71 24.540 -19.902 21.418 1.00 21.45 H new ATOM 0 HA SER A 71 23.627 -19.857 24.205 1.00 53.41 H new ATOM 0 HB2 SER A 71 21.650 -21.060 23.098 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.900 -19.387 22.639 1.00 41.55 H new ATOM 0 HG SER A 71 23.091 -21.505 21.139 1.00 70.34 H new ATOM 1106 N ARG A 72 24.401 -22.087 24.857 1.00 45.03 N ATOM 1107 CA ARG A 72 24.842 -23.404 25.300 1.00 4.44 C ATOM 1108 C ARG A 72 23.661 -24.244 25.784 1.00 75.30 C ATOM 1109 O ARG A 72 22.859 -23.795 26.606 1.00 23.40 O ATOM 1110 CB ARG A 72 25.892 -23.269 26.410 1.00 34.44 C ATOM 1111 CG ARG A 72 25.425 -22.447 27.601 1.00 12.31 C ATOM 1112 CD ARG A 72 26.490 -22.356 28.682 1.00 24.33 C ATOM 1113 NE ARG A 72 27.702 -21.685 28.210 1.00 52.22 N ATOM 1114 CZ ARG A 72 28.191 -20.565 28.747 1.00 64.42 C ATOM 1115 NH1 ARG A 72 27.602 -20.011 29.799 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 29.286 -20.007 28.245 1.00 31.31 N ATOM 0 H ARG A 72 24.327 -21.396 25.604 1.00 45.03 H new ATOM 0 HA ARG A 72 25.294 -23.914 24.449 1.00 4.44 H new ATOM 0 HB2 ARG A 72 26.172 -24.264 26.755 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.790 -22.811 25.994 1.00 34.44 H new ATOM 0 HG2 ARG A 72 25.160 -21.444 27.268 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.522 -22.893 28.018 1.00 12.31 H new ATOM 0 HD2 ARG A 72 26.089 -21.816 29.540 1.00 24.33 H new ATOM 0 HD3 ARG A 72 26.743 -23.359 29.026 1.00 24.33 H new ATOM 0 HE ARG A 72 28.203 -22.098 27.423 1.00 52.22 H new ATOM 0 HH11 ARG A 72 26.770 -20.441 30.203 1.00 45.44 H new ATOM 0 HH12 ARG A 72 27.981 -19.155 30.204 1.00 45.44 H new ATOM 0 HH21 ARG A 72 29.756 -20.434 27.447 1.00 31.31 H new ATOM 0 HH22 ARG A 72 29.657 -19.151 28.657 1.00 31.31 H new ATOM 1130 N CYS A 73 23.556 -25.454 25.259 1.00 4.41 N ATOM 1131 CA CYS A 73 22.485 -26.370 25.635 1.00 74.22 C ATOM 1132 C CYS A 73 22.922 -27.211 26.828 1.00 15.32 C ATOM 1133 O CYS A 73 23.834 -28.032 26.719 1.00 21.44 O ATOM 1134 CB CYS A 73 22.124 -27.264 24.445 1.00 72.10 C ATOM 1135 SG CYS A 73 20.580 -28.216 24.646 1.00 53.24 S ATOM 0 H CYS A 73 24.203 -25.829 24.566 1.00 4.41 H new ATOM 0 HA CYS A 73 21.601 -25.799 25.918 1.00 74.22 H new ATOM 0 HB2 CYS A 73 22.038 -26.642 23.554 1.00 72.10 H new ATOM 0 HB3 CYS A 73 22.944 -27.960 24.270 1.00 72.10 H new ATOM 1140 N VAL A 74 22.287 -26.990 27.972 1.00 70.53 N ATOM 1141 CA VAL A 74 22.701 -27.637 29.207 1.00 64.52 C ATOM 1142 C VAL A 74 21.498 -28.137 29.996 1.00 43.42 C ATOM 1143 O VAL A 74 20.676 -27.346 30.461 1.00 34.31 O ATOM 1144 CB VAL A 74 23.520 -26.680 30.105 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.968 -27.385 31.375 1.00 11.41 C ATOM 1146 CG2 VAL A 74 24.722 -26.120 29.361 1.00 43.31 C ATOM 0 H VAL A 74 21.484 -26.368 28.069 1.00 70.53 H new ATOM 0 HA VAL A 74 23.327 -28.482 28.920 1.00 64.52 H new ATOM 0 HB VAL A 74 22.872 -25.847 30.378 1.00 54.13 H new ATOM 0 HG11 VAL A 74 24.542 -26.694 31.992 1.00 11.41 H new ATOM 0 HG12 VAL A 74 23.094 -27.726 31.930 1.00 11.41 H new ATOM 0 HG13 VAL A 74 24.590 -28.242 31.116 1.00 11.41 H new ATOM 0 HG21 VAL A 74 25.277 -25.451 30.018 1.00 43.31 H new ATOM 0 HG22 VAL A 74 25.369 -26.939 29.046 1.00 43.31 H new ATOM 0 HG23 VAL A 74 24.383 -25.568 28.485 1.00 43.31 H new ATOM 1156 N ARG A 75 21.396 -29.447 30.144 1.00 64.45 N ATOM 1157 CA ARG A 75 20.362 -30.036 30.982 1.00 54.13 C ATOM 1158 C ARG A 75 20.964 -30.469 32.314 1.00 45.21 C ATOM 1159 O ARG A 75 20.725 -29.783 33.324 1.00 37.22 O ATOM 1160 CB ARG A 75 19.690 -31.230 30.293 1.00 55.34 C ATOM 1161 CG ARG A 75 18.598 -31.875 31.137 1.00 43.51 C ATOM 1162 CD ARG A 75 17.441 -30.920 31.377 1.00 51.22 C ATOM 1163 NE ARG A 75 16.605 -31.343 32.499 1.00 74.41 N ATOM 1164 CZ ARG A 75 15.448 -31.987 32.379 1.00 23.14 C ATOM 1165 NH1 ARG A 75 14.976 -32.306 31.182 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 14.759 -32.304 33.464 1.00 4.05 N ATOM 1167 OXT ARG A 75 21.701 -31.476 32.339 1.00 37.22 O ATOM 0 H ARG A 75 22.015 -30.123 29.696 1.00 64.45 H new ATOM 0 HA ARG A 75 19.596 -29.280 31.156 1.00 54.13 H new ATOM 0 HB2 ARG A 75 19.261 -30.901 29.346 1.00 55.34 H new ATOM 0 HB3 ARG A 75 20.447 -31.978 30.057 1.00 55.34 H new ATOM 0 HG2 ARG A 75 18.233 -32.772 30.637 1.00 43.51 H new ATOM 0 HG3 ARG A 75 19.015 -32.191 32.093 1.00 43.51 H new ATOM 0 HD2 ARG A 75 17.830 -29.921 31.572 1.00 51.22 H new ATOM 0 HD3 ARG A 75 16.832 -30.855 30.475 1.00 51.22 H new ATOM 0 HE ARG A 75 16.933 -31.129 33.441 1.00 74.41 H new ATOM 0 HH11 ARG A 75 15.501 -32.057 30.344 1.00 33.54 H new ATOM 0 HH12 ARG A 75 14.088 -32.800 31.099 1.00 33.54 H new ATOM 0 HH21 ARG A 75 15.116 -32.054 34.386 1.00 4.05 H new ATOM 0 HH22 ARG A 75 13.871 -32.798 33.378 1.00 4.05 H new TER 1181 ARG A 75