USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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 31 THR OG1 : rot -160:sc= 1.27 USER MOD Set 1.2: A 46 THR OG1 : rot -160:sc= 0.853 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 159:sc= 1.56 (180deg=0.379) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.965 K(o=2.5,f=-6.2!) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.24 (180deg=-1.4) USER MOD Single : A 5 GLN : amide:sc= 0.325 K(o=0.32,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A -9 HIS : no HD1:sc= -0.851 X(o=-0.85,f=-0.36) USER MOD Single : A 10 CYS SG : rot 177:sc= 1.05 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 29 GLN : amide:sc= 1.22 K(o=1.2,f=-0.45) USER MOD Single : A 34 LYS NZ :NH3+ -127:sc= 0.0638 (180deg=-0.322) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -156:sc= 1.28 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 40:sc=0.000106 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A -10 SER OG : rot 15:sc= 0.997 USER MOD Single : A -12 SER OG : rot 180:sc= 0 USER MOD Single : A -14 MET CE :methyl 162:sc= -0.0517 (180deg=-0.447) USER MOD Single : A -14 MET N :NH3+ -117:sc= 0.134 (180deg=-0.0146) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 32.650 33.533 27.798 1.00 0.00 N ATOM 2 CA MET A -14 33.505 33.147 26.658 1.00 0.00 C ATOM 3 C MET A -14 34.114 31.778 26.899 1.00 0.00 C ATOM 4 O MET A -14 33.883 31.168 27.946 1.00 0.00 O ATOM 5 CB MET A -14 34.622 34.181 26.438 1.00 0.00 C ATOM 6 CG MET A -14 35.639 34.247 27.570 1.00 0.00 C ATOM 7 SD MET A -14 36.946 35.457 27.273 1.00 0.00 S ATOM 8 CE MET A -14 36.010 36.983 27.335 1.00 0.00 C ATOM 0 H1 MET A -14 31.666 33.635 27.476 1.00 0.00 H new ATOM 0 H2 MET A -14 32.699 32.799 28.533 1.00 0.00 H new ATOM 0 H3 MET A -14 32.981 34.438 28.190 1.00 0.00 H new ATOM 0 HA MET A -14 32.883 33.111 25.764 1.00 0.00 H new ATOM 0 HB2 MET A -14 35.142 33.946 25.510 1.00 0.00 H new ATOM 0 HB3 MET A -14 34.171 35.165 26.311 1.00 0.00 H new ATOM 0 HG2 MET A -14 35.125 34.496 28.499 1.00 0.00 H new ATOM 0 HG3 MET A -14 36.087 33.263 27.707 1.00 0.00 H new ATOM 0 HE1 MET A -14 36.690 37.821 27.490 1.00 0.00 H new ATOM 0 HE2 MET A -14 35.474 37.120 26.396 1.00 0.00 H new ATOM 0 HE3 MET A -14 35.296 36.939 28.157 1.00 0.00 H new ATOM 20 N ALA A -13 34.887 31.297 25.933 1.00 0.00 N ATOM 21 CA ALA A -13 35.537 30.005 26.044 1.00 0.00 C ATOM 22 C ALA A -13 36.577 30.022 27.151 1.00 0.00 C ATOM 23 O ALA A -13 37.374 30.960 27.258 1.00 0.00 O ATOM 24 CB ALA A -13 36.177 29.617 24.722 1.00 0.00 C ATOM 0 H ALA A -13 35.077 31.789 25.060 1.00 0.00 H new ATOM 0 HA ALA A -13 34.780 29.261 26.295 1.00 0.00 H new ATOM 0 HB1 ALA A -13 36.660 28.645 24.823 1.00 0.00 H new ATOM 0 HB2 ALA A -13 35.411 29.563 23.949 1.00 0.00 H new ATOM 0 HB3 ALA A -13 36.920 30.365 24.444 1.00 0.00 H new ATOM 30 N SER A -12 36.559 28.998 27.972 1.00 0.00 N ATOM 31 CA SER A -12 37.481 28.887 29.077 1.00 0.00 C ATOM 32 C SER A -12 38.689 28.055 28.666 1.00 0.00 C ATOM 33 O SER A -12 38.536 26.941 28.166 1.00 0.00 O ATOM 34 CB SER A -12 36.777 28.242 30.269 1.00 0.00 C ATOM 35 OG SER A -12 35.536 28.888 30.531 1.00 0.00 O ATOM 0 H SER A -12 35.905 28.219 27.892 1.00 0.00 H new ATOM 0 HA SER A -12 37.823 29.882 29.361 1.00 0.00 H new ATOM 0 HB2 SER A -12 36.607 27.184 30.068 1.00 0.00 H new ATOM 0 HB3 SER A -12 37.416 28.300 31.150 1.00 0.00 H new ATOM 0 HG SER A -12 35.099 28.460 31.297 1.00 0.00 H new ATOM 41 N TRP A -11 39.878 28.601 28.856 1.00 0.00 N ATOM 42 CA TRP A -11 41.096 27.900 28.503 1.00 0.00 C ATOM 43 C TRP A -11 41.379 26.765 29.481 1.00 0.00 C ATOM 44 O TRP A -11 41.027 25.621 29.215 1.00 0.00 O ATOM 45 CB TRP A -11 42.295 28.865 28.431 1.00 0.00 C ATOM 46 CG TRP A -11 43.611 28.171 28.209 1.00 0.00 C ATOM 47 CD1 TRP A -11 43.970 27.432 27.124 1.00 0.00 C ATOM 48 CD2 TRP A -11 44.735 28.147 29.101 1.00 0.00 C ATOM 49 NE1 TRP A -11 45.244 26.945 27.286 1.00 0.00 N ATOM 50 CE2 TRP A -11 45.735 27.372 28.488 1.00 0.00 C ATOM 51 CE3 TRP A -11 44.989 28.706 30.357 1.00 0.00 C ATOM 52 CZ2 TRP A -11 46.971 27.140 29.088 1.00 0.00 C ATOM 53 CZ3 TRP A -11 46.216 28.475 30.949 1.00 0.00 C ATOM 54 CH2 TRP A -11 47.192 27.700 30.314 1.00 0.00 C ATOM 0 H TRP A -11 40.024 29.529 29.253 1.00 0.00 H new ATOM 0 HA TRP A -11 40.951 27.468 27.513 1.00 0.00 H new ATOM 0 HB2 TRP A -11 42.129 29.579 27.624 1.00 0.00 H new ATOM 0 HB3 TRP A -11 42.347 29.437 29.357 1.00 0.00 H new ATOM 0 HD1 TRP A -11 43.345 27.254 26.262 1.00 0.00 H new ATOM 0 HE1 TRP A -11 45.743 26.359 26.617 1.00 0.00 H new ATOM 0 HE3 TRP A -11 44.241 29.306 30.854 1.00 0.00 H new ATOM 0 HZ2 TRP A -11 47.726 26.540 28.602 1.00 0.00 H new ATOM 0 HZ3 TRP A -11 46.425 28.900 31.919 1.00 0.00 H new ATOM 0 HH2 TRP A -11 48.141 27.541 30.804 1.00 0.00 H new ATOM 65 N SER A -10 41.972 27.118 30.633 1.00 0.00 N ATOM 66 CA SER A -10 42.391 26.167 31.677 1.00 0.00 C ATOM 67 C SER A -10 43.307 25.052 31.134 1.00 0.00 C ATOM 68 O SER A -10 42.898 24.242 30.303 1.00 0.00 O ATOM 69 CB SER A -10 41.186 25.591 32.455 1.00 0.00 C ATOM 70 OG SER A -10 40.239 24.972 31.595 1.00 0.00 O ATOM 0 H SER A -10 42.177 28.089 30.870 1.00 0.00 H new ATOM 0 HA SER A -10 42.989 26.740 32.386 1.00 0.00 H new ATOM 0 HB2 SER A -10 41.541 24.864 33.185 1.00 0.00 H new ATOM 0 HB3 SER A -10 40.699 26.391 33.013 1.00 0.00 H new ATOM 0 HG SER A -10 40.646 24.818 30.717 1.00 0.00 H new ATOM 76 N HIS A -9 44.547 25.023 31.623 1.00 0.00 N ATOM 77 CA HIS A -9 45.535 24.037 31.177 1.00 0.00 C ATOM 78 C HIS A -9 44.961 22.610 31.206 1.00 0.00 C ATOM 79 O HIS A -9 44.339 22.205 32.189 1.00 0.00 O ATOM 80 CB HIS A -9 46.839 24.129 32.006 1.00 0.00 C ATOM 81 CG HIS A -9 46.736 23.704 33.453 1.00 0.00 C ATOM 82 ND1 HIS A -9 47.727 22.991 34.088 1.00 0.00 N ATOM 83 CD2 HIS A -9 45.775 23.914 34.387 1.00 0.00 C ATOM 84 CE1 HIS A -9 47.388 22.776 35.343 1.00 0.00 C ATOM 85 NE2 HIS A -9 46.206 23.326 35.554 1.00 0.00 N ATOM 0 H HIS A -9 44.893 25.672 32.330 1.00 0.00 H new ATOM 0 HA HIS A -9 45.782 24.272 30.142 1.00 0.00 H new ATOM 0 HB2 HIS A -9 47.598 23.516 31.521 1.00 0.00 H new ATOM 0 HB3 HIS A -9 47.194 25.159 31.975 1.00 0.00 H new ATOM 0 HD2 HIS A -9 44.845 24.444 34.242 1.00 0.00 H new ATOM 0 HE1 HIS A -9 47.976 22.241 36.074 1.00 0.00 H new ATOM 0 HE2 HIS A -9 45.696 23.316 36.437 1.00 0.00 H new ATOM 93 N PRO A -8 45.153 21.847 30.109 1.00 0.00 N ATOM 94 CA PRO A -8 44.617 20.476 29.974 1.00 0.00 C ATOM 95 C PRO A -8 45.105 19.529 31.067 1.00 0.00 C ATOM 96 O PRO A -8 44.453 18.524 31.352 1.00 0.00 O ATOM 97 CB PRO A -8 45.135 20.019 28.608 1.00 0.00 C ATOM 98 CG PRO A -8 45.436 21.273 27.870 1.00 0.00 C ATOM 99 CD PRO A -8 45.891 22.261 28.900 1.00 0.00 C ATOM 0 HA PRO A -8 43.531 20.467 30.064 1.00 0.00 H new ATOM 0 HB2 PRO A -8 46.025 19.399 28.711 1.00 0.00 H new ATOM 0 HB3 PRO A -8 44.389 19.422 28.083 1.00 0.00 H new ATOM 0 HG2 PRO A -8 46.209 21.108 27.120 1.00 0.00 H new ATOM 0 HG3 PRO A -8 44.554 21.637 27.344 1.00 0.00 H new ATOM 0 HD2 PRO A -8 46.970 22.218 29.051 1.00 0.00 H new ATOM 0 HD3 PRO A -8 45.650 23.284 28.611 1.00 0.00 H new ATOM 107 N GLN A -7 46.262 19.864 31.665 1.00 0.00 N ATOM 108 CA GLN A -7 46.872 19.090 32.762 1.00 0.00 C ATOM 109 C GLN A -7 46.803 17.576 32.543 1.00 0.00 C ATOM 110 O GLN A -7 46.001 16.872 33.165 1.00 0.00 O ATOM 111 CB GLN A -7 46.302 19.498 34.144 1.00 0.00 C ATOM 112 CG GLN A -7 44.779 19.533 34.232 1.00 0.00 C ATOM 113 CD GLN A -7 44.280 19.946 35.599 1.00 0.00 C ATOM 114 OE1 GLN A -7 44.916 19.671 36.613 1.00 0.00 O ATOM 115 NE2 GLN A -7 43.153 20.622 35.633 1.00 0.00 N ATOM 0 H GLN A -7 46.805 20.686 31.399 1.00 0.00 H new ATOM 0 HA GLN A -7 47.931 19.347 32.756 1.00 0.00 H new ATOM 0 HB2 GLN A -7 46.678 18.802 34.894 1.00 0.00 H new ATOM 0 HB3 GLN A -7 46.688 20.484 34.402 1.00 0.00 H new ATOM 0 HG2 GLN A -7 44.392 20.226 33.485 1.00 0.00 H new ATOM 0 HG3 GLN A -7 44.383 18.547 33.988 1.00 0.00 H new ATOM 0 HE21 GLN A -7 42.656 20.829 34.767 1.00 0.00 H new ATOM 0 HE22 GLN A -7 42.775 20.939 36.526 1.00 0.00 H new ATOM 124 N PHE A -6 47.636 17.086 31.646 1.00 0.00 N ATOM 125 CA PHE A -6 47.685 15.667 31.353 1.00 0.00 C ATOM 126 C PHE A -6 48.522 14.938 32.393 1.00 0.00 C ATOM 127 O PHE A -6 49.750 14.920 32.311 1.00 0.00 O ATOM 128 CB PHE A -6 48.259 15.415 29.955 1.00 0.00 C ATOM 129 CG PHE A -6 47.433 15.984 28.837 1.00 0.00 C ATOM 130 CD1 PHE A -6 46.272 15.350 28.428 1.00 0.00 C ATOM 131 CD2 PHE A -6 47.819 17.146 28.192 1.00 0.00 C ATOM 132 CE1 PHE A -6 45.511 15.865 27.397 1.00 0.00 C ATOM 133 CE2 PHE A -6 47.064 17.665 27.160 1.00 0.00 C ATOM 134 CZ PHE A -6 45.908 17.023 26.762 1.00 0.00 C ATOM 0 H PHE A -6 48.290 17.652 31.106 1.00 0.00 H new ATOM 0 HA PHE A -6 46.665 15.284 31.383 1.00 0.00 H new ATOM 0 HB2 PHE A -6 49.261 15.841 29.904 1.00 0.00 H new ATOM 0 HB3 PHE A -6 48.361 14.340 29.805 1.00 0.00 H new ATOM 0 HD1 PHE A -6 45.958 14.442 28.921 1.00 0.00 H new ATOM 0 HD2 PHE A -6 48.722 17.653 28.500 1.00 0.00 H new ATOM 0 HE1 PHE A -6 44.607 15.362 27.089 1.00 0.00 H new ATOM 0 HE2 PHE A -6 47.377 18.572 26.664 1.00 0.00 H new ATOM 0 HZ PHE A -6 45.316 17.427 25.955 1.00 0.00 H new ATOM 144 N GLU A -5 47.857 14.368 33.385 1.00 0.00 N ATOM 145 CA GLU A -5 48.540 13.632 34.439 1.00 0.00 C ATOM 146 C GLU A -5 49.085 12.305 33.924 1.00 0.00 C ATOM 147 O GLU A -5 50.222 12.226 33.457 1.00 0.00 O ATOM 148 CB GLU A -5 47.603 13.398 35.631 1.00 0.00 C ATOM 149 CG GLU A -5 47.326 14.640 36.457 1.00 0.00 C ATOM 150 CD GLU A -5 48.533 15.079 37.256 1.00 0.00 C ATOM 151 OE1 GLU A -5 49.452 15.678 36.674 1.00 0.00 O ATOM 152 OE2 GLU A -5 48.564 14.826 38.478 1.00 0.00 O ATOM 0 H GLU A -5 46.842 14.401 33.483 1.00 0.00 H new ATOM 0 HA GLU A -5 49.384 14.237 34.772 1.00 0.00 H new ATOM 0 HB2 GLU A -5 46.657 13.002 35.263 1.00 0.00 H new ATOM 0 HB3 GLU A -5 48.038 12.635 36.277 1.00 0.00 H new ATOM 0 HG2 GLU A -5 47.015 15.450 35.798 1.00 0.00 H new ATOM 0 HG3 GLU A -5 46.495 14.445 37.135 1.00 0.00 H new ATOM 159 N LYS A -4 48.261 11.277 33.976 1.00 0.00 N ATOM 160 CA LYS A -4 48.677 9.954 33.547 1.00 0.00 C ATOM 161 C LYS A -4 48.400 9.746 32.071 1.00 0.00 C ATOM 162 O LYS A -4 48.908 8.802 31.463 1.00 0.00 O ATOM 163 CB LYS A -4 47.996 8.869 34.387 1.00 0.00 C ATOM 164 CG LYS A -4 48.289 8.979 35.881 1.00 0.00 C ATOM 165 CD LYS A -4 49.788 9.023 36.155 1.00 0.00 C ATOM 166 CE LYS A -4 50.082 9.097 37.644 1.00 0.00 C ATOM 167 NZ LYS A -4 51.539 9.233 37.916 1.00 0.00 N ATOM 0 H LYS A -4 47.299 11.331 34.311 1.00 0.00 H new ATOM 0 HA LYS A -4 49.753 9.876 33.700 1.00 0.00 H new ATOM 0 HB2 LYS A -4 46.919 8.924 34.232 1.00 0.00 H new ATOM 0 HB3 LYS A -4 48.320 7.890 34.033 1.00 0.00 H new ATOM 0 HG2 LYS A -4 47.819 9.878 36.280 1.00 0.00 H new ATOM 0 HG3 LYS A -4 47.848 8.130 36.403 1.00 0.00 H new ATOM 0 HD2 LYS A -4 50.262 8.136 35.734 1.00 0.00 H new ATOM 0 HD3 LYS A -4 50.225 9.887 35.654 1.00 0.00 H new ATOM 0 HE2 LYS A -4 49.551 9.945 38.077 1.00 0.00 H new ATOM 0 HE3 LYS A -4 49.703 8.200 38.134 1.00 0.00 H new ATOM 0 HZ1 LYS A -4 51.698 9.280 38.943 1.00 0.00 H new ATOM 0 HZ2 LYS A -4 52.043 8.412 37.525 1.00 0.00 H new ATOM 0 HZ3 LYS A -4 51.896 10.102 37.470 1.00 0.00 H new ATOM 181 N ILE A -3 47.595 10.634 31.486 1.00 0.00 N ATOM 182 CA ILE A -3 47.306 10.570 30.059 1.00 0.00 C ATOM 183 C ILE A -3 48.595 10.709 29.280 1.00 0.00 C ATOM 184 O ILE A -3 48.903 9.890 28.434 1.00 0.00 O ATOM 185 CB ILE A -3 46.321 11.680 29.611 1.00 0.00 C ATOM 186 CG1 ILE A -3 45.085 11.668 30.494 1.00 0.00 C ATOM 187 CG2 ILE A -3 45.933 11.498 28.147 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.038 12.696 30.119 1.00 0.00 C ATOM 0 H ILE A -3 47.136 11.401 31.978 1.00 0.00 H new ATOM 0 HA ILE A -3 46.836 9.606 29.861 1.00 0.00 H new ATOM 0 HB ILE A -3 46.816 12.646 29.713 1.00 0.00 H new ATOM 0 HG12 ILE A -3 44.634 10.677 30.453 1.00 0.00 H new ATOM 0 HG13 ILE A -3 45.390 11.838 31.527 1.00 0.00 H new ATOM 0 HG21 ILE A -3 45.241 12.287 27.853 1.00 0.00 H new ATOM 0 HG22 ILE A -3 46.827 11.548 27.525 1.00 0.00 H new ATOM 0 HG23 ILE A -3 45.454 10.528 28.016 1.00 0.00 H new ATOM 0 HD11 ILE A -3 43.191 12.618 30.800 1.00 0.00 H new ATOM 0 HD12 ILE A -3 44.468 13.695 30.188 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.701 12.516 29.098 1.00 0.00 H new ATOM 200 N GLU A -2 49.364 11.734 29.622 1.00 0.00 N ATOM 201 CA GLU A -2 50.641 12.008 28.974 1.00 0.00 C ATOM 202 C GLU A -2 51.630 10.856 29.190 1.00 0.00 C ATOM 203 O GLU A -2 52.513 10.611 28.359 1.00 0.00 O ATOM 204 CB GLU A -2 51.215 13.320 29.509 1.00 0.00 C ATOM 205 CG GLU A -2 52.602 13.655 28.987 1.00 0.00 C ATOM 206 CD GLU A -2 53.086 15.009 29.446 1.00 0.00 C ATOM 207 OE1 GLU A -2 53.501 15.135 30.619 1.00 0.00 O ATOM 208 OE2 GLU A -2 53.064 15.955 28.631 1.00 0.00 O ATOM 0 H GLU A -2 49.121 12.399 30.356 1.00 0.00 H new ATOM 0 HA GLU A -2 50.475 12.101 27.901 1.00 0.00 H new ATOM 0 HB2 GLU A -2 50.536 14.132 29.250 1.00 0.00 H new ATOM 0 HB3 GLU A -2 51.251 13.270 30.597 1.00 0.00 H new ATOM 0 HG2 GLU A -2 53.305 12.891 29.319 1.00 0.00 H new ATOM 0 HG3 GLU A -2 52.592 13.627 27.897 1.00 0.00 H new ATOM 215 N GLY A -1 51.469 10.147 30.300 1.00 0.00 N ATOM 216 CA GLY A -1 52.334 9.027 30.595 1.00 0.00 C ATOM 217 C GLY A -1 52.206 7.928 29.561 1.00 0.00 C ATOM 218 O GLY A -1 53.204 7.333 29.147 1.00 0.00 O ATOM 0 H GLY A -1 50.752 10.330 31.002 1.00 0.00 H new ATOM 0 HA2 GLY A -1 53.368 9.368 30.636 1.00 0.00 H new ATOM 0 HA3 GLY A -1 52.090 8.629 31.580 1.00 0.00 H new ATOM 222 N ARG A 0 50.983 7.665 29.132 1.00 0.00 N ATOM 223 CA ARG A 0 50.734 6.634 28.135 1.00 0.00 C ATOM 224 C ARG A 0 50.688 7.219 26.719 1.00 0.00 C ATOM 225 O ARG A 0 51.231 6.640 25.788 1.00 0.00 O ATOM 226 CB ARG A 0 49.444 5.862 28.451 1.00 0.00 C ATOM 227 CG ARG A 0 48.232 6.741 28.724 1.00 0.00 C ATOM 228 CD ARG A 0 46.979 5.910 28.944 1.00 0.00 C ATOM 229 NE ARG A 0 45.826 6.744 29.292 1.00 0.00 N ATOM 230 CZ ARG A 0 44.616 6.644 28.729 1.00 0.00 C ATOM 231 NH1 ARG A 0 44.391 5.735 27.782 1.00 0.00 N ATOM 232 NH2 ARG A 0 43.634 7.446 29.129 1.00 0.00 N ATOM 0 H ARG A 0 50.147 8.150 29.457 1.00 0.00 H new ATOM 0 HA ARG A 0 51.568 5.933 28.175 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.217 5.202 27.614 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.619 5.227 29.319 1.00 0.00 H new ATOM 0 HG2 ARG A 0 48.419 7.358 29.603 1.00 0.00 H new ATOM 0 HG3 ARG A 0 48.077 7.420 27.885 1.00 0.00 H new ATOM 0 HD2 ARG A 0 46.757 5.342 28.041 1.00 0.00 H new ATOM 0 HD3 ARG A 0 47.158 5.187 29.740 1.00 0.00 H new ATOM 0 HE ARG A 0 45.955 7.452 30.015 1.00 0.00 H new ATOM 0 HH11 ARG A 0 45.142 5.112 27.484 1.00 0.00 H new ATOM 0 HH12 ARG A 0 43.468 5.661 27.355 1.00 0.00 H new ATOM 0 HH21 ARG A 0 43.804 8.134 29.862 1.00 0.00 H new ATOM 0 HH22 ARG A 0 42.710 7.373 28.703 1.00 0.00 H new ATOM 246 N MET A 1 50.058 8.374 26.573 1.00 0.00 N ATOM 247 CA MET A 1 49.935 9.025 25.275 1.00 0.00 C ATOM 248 C MET A 1 50.429 10.463 25.344 1.00 0.00 C ATOM 249 O MET A 1 49.908 11.280 26.098 1.00 0.00 O ATOM 250 CB MET A 1 48.485 8.957 24.756 1.00 0.00 C ATOM 251 CG MET A 1 47.430 9.454 25.739 1.00 0.00 C ATOM 252 SD MET A 1 45.747 9.234 25.126 1.00 0.00 S ATOM 253 CE MET A 1 45.703 7.460 24.885 1.00 0.00 C ATOM 0 H MET A 1 49.621 8.884 27.341 1.00 0.00 H new ATOM 0 HA MET A 1 50.564 8.488 24.566 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.414 9.544 23.841 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.257 7.925 24.491 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.540 8.922 26.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.602 10.510 25.946 1.00 0.00 H new ATOM 0 HE1 MET A 1 44.671 7.113 24.928 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.129 7.214 23.912 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.283 6.972 25.668 1.00 0.00 H new ATOM 263 N ASP A 2 51.435 10.756 24.556 1.00 0.00 N ATOM 264 CA ASP A 2 52.069 12.066 24.554 1.00 0.00 C ATOM 265 C ASP A 2 52.267 12.561 23.126 1.00 0.00 C ATOM 266 O ASP A 2 52.455 11.759 22.210 1.00 0.00 O ATOM 267 CB ASP A 2 53.416 11.967 25.297 1.00 0.00 C ATOM 268 CG ASP A 2 54.400 13.063 24.946 1.00 0.00 C ATOM 269 OD1 ASP A 2 54.130 14.248 25.255 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.466 12.739 24.376 1.00 0.00 O ATOM 0 H ASP A 2 51.843 10.096 23.894 1.00 0.00 H new ATOM 0 HA ASP A 2 51.429 12.786 25.065 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.229 11.992 26.371 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.870 11.001 25.075 1.00 0.00 H new ATOM 275 N VAL A 3 52.198 13.879 22.931 1.00 0.00 N ATOM 276 CA VAL A 3 52.390 14.461 21.608 1.00 0.00 C ATOM 277 C VAL A 3 53.769 14.099 21.054 1.00 0.00 C ATOM 278 O VAL A 3 54.795 14.309 21.705 1.00 0.00 O ATOM 279 CB VAL A 3 52.185 16.003 21.598 1.00 0.00 C ATOM 280 CG1 VAL A 3 50.731 16.347 21.871 1.00 0.00 C ATOM 281 CG2 VAL A 3 53.090 16.691 22.613 1.00 0.00 C ATOM 0 H VAL A 3 52.012 14.557 23.670 1.00 0.00 H new ATOM 0 HA VAL A 3 51.624 14.034 20.961 1.00 0.00 H new ATOM 0 HB VAL A 3 52.454 16.367 20.607 1.00 0.00 H new ATOM 0 HG11 VAL A 3 50.605 17.430 21.860 1.00 0.00 H new ATOM 0 HG12 VAL A 3 50.101 15.901 21.102 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.442 15.958 22.847 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.921 17.767 22.580 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.865 16.319 23.612 1.00 0.00 H new ATOM 0 HG23 VAL A 3 54.132 16.479 22.374 1.00 0.00 H new ATOM 291 N GLY A 4 53.780 13.540 19.865 1.00 0.00 N ATOM 292 CA GLY A 4 55.011 13.077 19.276 1.00 0.00 C ATOM 293 C GLY A 4 55.031 11.567 19.196 1.00 0.00 C ATOM 294 O GLY A 4 55.719 10.984 18.355 1.00 0.00 O ATOM 0 H GLY A 4 52.950 13.396 19.289 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.124 13.500 18.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.857 13.426 19.868 1.00 0.00 H new ATOM 298 N GLN A 5 54.267 10.934 20.077 1.00 0.00 N ATOM 299 CA GLN A 5 54.141 9.487 20.098 1.00 0.00 C ATOM 300 C GLN A 5 53.261 9.017 18.963 1.00 0.00 C ATOM 301 O GLN A 5 52.502 9.797 18.396 1.00 0.00 O ATOM 302 CB GLN A 5 53.566 9.020 21.438 1.00 0.00 C ATOM 303 CG GLN A 5 54.609 8.873 22.524 1.00 0.00 C ATOM 304 CD GLN A 5 55.449 7.636 22.322 1.00 0.00 C ATOM 305 OE1 GLN A 5 55.154 6.573 22.864 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.484 7.750 21.522 1.00 0.00 N ATOM 0 H GLN A 5 53.720 11.410 20.794 1.00 0.00 H new ATOM 0 HA GLN A 5 55.133 9.054 19.973 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.808 9.731 21.767 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.064 8.063 21.295 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.252 9.753 22.533 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.119 8.826 23.496 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.698 8.649 21.090 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.074 6.940 21.333 1.00 0.00 H new ATOM 315 N LYS A 6 53.365 7.757 18.626 1.00 0.00 N ATOM 316 CA LYS A 6 52.572 7.206 17.556 1.00 0.00 C ATOM 317 C LYS A 6 51.499 6.300 18.110 1.00 0.00 C ATOM 318 O LYS A 6 51.655 5.720 19.186 1.00 0.00 O ATOM 319 CB LYS A 6 53.444 6.435 16.573 1.00 0.00 C ATOM 320 CG LYS A 6 54.575 7.249 15.968 1.00 0.00 C ATOM 321 CD LYS A 6 55.328 6.450 14.917 1.00 0.00 C ATOM 322 CE LYS A 6 55.764 5.094 15.453 1.00 0.00 C ATOM 323 NZ LYS A 6 56.581 4.339 14.470 1.00 0.00 N ATOM 0 H LYS A 6 53.992 7.092 19.078 1.00 0.00 H new ATOM 0 HA LYS A 6 52.101 8.034 17.025 1.00 0.00 H new ATOM 0 HB2 LYS A 6 53.867 5.569 17.083 1.00 0.00 H new ATOM 0 HB3 LYS A 6 52.815 6.055 15.768 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.173 8.157 15.519 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.263 7.560 16.754 1.00 0.00 H new ATOM 0 HD2 LYS A 6 54.694 6.309 14.042 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.203 7.011 14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.338 5.235 16.369 1.00 0.00 H new ATOM 0 HE3 LYS A 6 54.883 4.509 15.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 56.855 3.422 14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 56.025 4.181 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.436 4.884 14.237 1.00 0.00 H new ATOM 337 N VAL A 7 50.412 6.192 17.388 1.00 0.00 N ATOM 338 CA VAL A 7 49.308 5.345 17.781 1.00 0.00 C ATOM 339 C VAL A 7 48.786 4.571 16.584 1.00 0.00 C ATOM 340 O VAL A 7 48.889 5.029 15.439 1.00 0.00 O ATOM 341 CB VAL A 7 48.139 6.152 18.406 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.529 6.727 19.757 1.00 0.00 C ATOM 343 CG2 VAL A 7 47.687 7.255 17.471 1.00 0.00 C ATOM 0 H VAL A 7 50.265 6.689 16.509 1.00 0.00 H new ATOM 0 HA VAL A 7 49.692 4.660 18.537 1.00 0.00 H new ATOM 0 HB VAL A 7 47.306 5.466 18.559 1.00 0.00 H new ATOM 0 HG11 VAL A 7 47.690 7.287 20.170 1.00 0.00 H new ATOM 0 HG12 VAL A 7 48.793 5.916 20.435 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.384 7.392 19.636 1.00 0.00 H new ATOM 0 HG21 VAL A 7 46.867 7.807 17.930 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.519 7.933 17.279 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.350 6.819 16.531 1.00 0.00 H new ATOM 353 N ARG A 8 48.246 3.407 16.843 1.00 0.00 N ATOM 354 CA ARG A 8 47.679 2.586 15.802 1.00 0.00 C ATOM 355 C ARG A 8 46.191 2.427 16.038 1.00 0.00 C ATOM 356 O ARG A 8 45.763 2.097 17.153 1.00 0.00 O ATOM 357 CB ARG A 8 48.354 1.212 15.761 1.00 0.00 C ATOM 358 CG ARG A 8 47.933 0.358 14.572 1.00 0.00 C ATOM 359 CD ARG A 8 48.596 -1.008 14.602 1.00 0.00 C ATOM 360 NE ARG A 8 48.333 -1.774 13.384 1.00 0.00 N ATOM 361 CZ ARG A 8 48.162 -3.098 13.342 1.00 0.00 C ATOM 362 NH1 ARG A 8 48.169 -3.813 14.460 1.00 0.00 N ATOM 363 NH2 ARG A 8 47.979 -3.708 12.179 1.00 0.00 N ATOM 0 H ARG A 8 48.187 3.002 17.777 1.00 0.00 H new ATOM 0 HA ARG A 8 47.846 3.074 14.842 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.435 1.349 15.734 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.123 0.676 16.682 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.850 0.237 14.575 1.00 0.00 H new ATOM 0 HG3 ARG A 8 48.194 0.869 13.645 1.00 0.00 H new ATOM 0 HD2 ARG A 8 49.672 -0.886 14.728 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.236 -1.567 15.466 1.00 0.00 H new ATOM 0 HE ARG A 8 48.276 -1.261 12.504 1.00 0.00 H new ATOM 0 HH11 ARG A 8 48.306 -3.352 15.359 1.00 0.00 H new ATOM 0 HH12 ARG A 8 48.038 -4.824 14.420 1.00 0.00 H new ATOM 0 HH21 ARG A 8 47.969 -3.166 11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 8 47.849 -4.719 12.148 1.00 0.00 H new ATOM 377 N VAL A 9 45.403 2.677 15.014 1.00 0.00 N ATOM 378 CA VAL A 9 43.968 2.534 15.126 1.00 0.00 C ATOM 379 C VAL A 9 43.604 1.072 14.971 1.00 0.00 C ATOM 380 O VAL A 9 43.567 0.549 13.867 1.00 0.00 O ATOM 381 CB VAL A 9 43.227 3.364 14.054 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.753 3.498 14.399 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.871 4.732 13.885 1.00 0.00 C ATOM 0 H VAL A 9 45.731 2.980 14.097 1.00 0.00 H new ATOM 0 HA VAL A 9 43.663 2.903 16.105 1.00 0.00 H new ATOM 0 HB VAL A 9 43.306 2.836 13.104 1.00 0.00 H new ATOM 0 HG11 VAL A 9 41.251 4.086 13.630 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.300 2.508 14.452 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.649 3.996 15.363 1.00 0.00 H new ATOM 0 HG21 VAL A 9 43.331 5.297 13.125 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.834 5.271 14.832 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.909 4.610 13.577 1.00 0.00 H new ATOM 393 N CYS A 10 43.358 0.412 16.078 1.00 0.00 N ATOM 394 CA CYS A 10 43.054 -1.008 16.053 1.00 0.00 C ATOM 395 C CYS A 10 41.574 -1.266 16.260 1.00 0.00 C ATOM 396 O CYS A 10 41.107 -2.400 16.139 1.00 0.00 O ATOM 397 CB CYS A 10 43.876 -1.736 17.108 1.00 0.00 C ATOM 398 SG CYS A 10 45.660 -1.590 16.869 1.00 0.00 S ATOM 0 H CYS A 10 43.361 0.830 17.008 1.00 0.00 H new ATOM 0 HA CYS A 10 43.318 -1.392 15.067 1.00 0.00 H new ATOM 0 HB2 CYS A 10 43.617 -1.344 18.092 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.603 -2.791 17.104 1.00 0.00 H new ATOM 0 HG CYS A 10 46.279 -2.177 17.850 1.00 0.00 H new ATOM 404 N ARG A 11 40.836 -0.223 16.560 1.00 0.00 N ATOM 405 CA ARG A 11 39.413 -0.342 16.775 1.00 0.00 C ATOM 406 C ARG A 11 38.739 0.984 16.527 1.00 0.00 C ATOM 407 O ARG A 11 39.404 2.004 16.382 1.00 0.00 O ATOM 408 CB ARG A 11 39.109 -0.811 18.198 1.00 0.00 C ATOM 409 CG ARG A 11 39.639 0.115 19.276 1.00 0.00 C ATOM 410 CD ARG A 11 38.955 -0.133 20.604 1.00 0.00 C ATOM 411 NE ARG A 11 37.512 0.131 20.534 1.00 0.00 N ATOM 412 CZ ARG A 11 36.844 0.906 21.391 1.00 0.00 C ATOM 413 NH1 ARG A 11 37.494 1.535 22.363 1.00 0.00 N ATOM 414 NH2 ARG A 11 35.530 1.064 21.258 1.00 0.00 N ATOM 0 H ARG A 11 41.201 0.724 16.661 1.00 0.00 H new ATOM 0 HA ARG A 11 39.028 -1.084 16.075 1.00 0.00 H new ATOM 0 HB2 ARG A 11 38.030 -0.909 18.315 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.537 -1.803 18.342 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.714 -0.030 19.386 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.486 1.151 18.975 1.00 0.00 H new ATOM 0 HD2 ARG A 11 39.121 -1.166 20.911 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.404 0.502 21.368 1.00 0.00 H new ATOM 0 HE ARG A 11 36.985 -0.308 19.779 1.00 0.00 H new ATOM 0 HH11 ARG A 11 38.504 1.426 22.455 1.00 0.00 H new ATOM 0 HH12 ARG A 11 36.983 2.127 23.018 1.00 0.00 H new ATOM 0 HH21 ARG A 11 35.034 0.593 20.502 1.00 0.00 H new ATOM 0 HH22 ARG A 11 35.019 1.656 21.913 1.00 0.00 H new ATOM 428 N ILE A 12 37.428 0.961 16.474 1.00 0.00 N ATOM 429 CA ILE A 12 36.652 2.160 16.278 1.00 0.00 C ATOM 430 C ILE A 12 35.738 2.378 17.477 1.00 0.00 C ATOM 431 O ILE A 12 35.214 1.418 18.049 1.00 0.00 O ATOM 432 CB ILE A 12 35.831 2.094 14.958 1.00 0.00 C ATOM 433 CG1 ILE A 12 36.788 2.014 13.753 1.00 0.00 C ATOM 434 CG2 ILE A 12 34.894 3.294 14.828 1.00 0.00 C ATOM 435 CD1 ILE A 12 37.665 3.241 13.574 1.00 0.00 C ATOM 0 H ILE A 12 36.871 0.111 16.566 1.00 0.00 H new ATOM 0 HA ILE A 12 37.334 3.006 16.192 1.00 0.00 H new ATOM 0 HB ILE A 12 35.212 1.197 14.980 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.427 1.138 13.868 1.00 0.00 H new ATOM 0 HG13 ILE A 12 36.202 1.865 12.846 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.334 3.219 13.896 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.200 3.306 15.668 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.479 4.214 14.827 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.309 3.105 12.705 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.036 4.119 13.426 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.280 3.381 14.463 1.00 0.00 H new ATOM 447 N ARG A 13 35.594 3.633 17.865 1.00 0.00 N ATOM 448 CA ARG A 13 34.799 4.032 19.021 1.00 0.00 C ATOM 449 C ARG A 13 33.383 3.442 19.029 1.00 0.00 C ATOM 450 O ARG A 13 33.067 2.593 19.870 1.00 0.00 O ATOM 451 CB ARG A 13 34.770 5.563 19.137 1.00 0.00 C ATOM 452 CG ARG A 13 34.483 6.297 17.832 1.00 0.00 C ATOM 453 CD ARG A 13 34.975 7.728 17.910 1.00 0.00 C ATOM 454 NE ARG A 13 34.777 8.468 16.669 1.00 0.00 N ATOM 455 CZ ARG A 13 35.773 8.951 15.913 1.00 0.00 C ATOM 456 NH1 ARG A 13 37.045 8.641 16.184 1.00 0.00 N ATOM 457 NH2 ARG A 13 35.491 9.715 14.867 1.00 0.00 N ATOM 0 H ARG A 13 36.031 4.417 17.381 1.00 0.00 H new ATOM 0 HA ARG A 13 35.289 3.614 19.900 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.013 5.844 19.870 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.730 5.902 19.525 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.971 5.783 17.004 1.00 0.00 H new ATOM 0 HG3 ARG A 13 33.412 6.285 17.629 1.00 0.00 H new ATOM 0 HD2 ARG A 13 34.455 8.241 18.719 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.036 7.728 18.161 1.00 0.00 H new ATOM 0 HE ARG A 13 33.819 8.628 16.356 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.265 8.032 16.972 1.00 0.00 H new ATOM 0 HH12 ARG A 13 37.796 9.014 15.603 1.00 0.00 H new ATOM 0 HH21 ARG A 13 34.520 9.932 14.641 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.245 10.085 14.288 1.00 0.00 H new ATOM 471 N ASP A 14 32.541 3.868 18.104 1.00 0.00 N ATOM 472 CA ASP A 14 31.156 3.403 18.076 1.00 0.00 C ATOM 473 C ASP A 14 30.578 3.457 16.666 1.00 0.00 C ATOM 474 O ASP A 14 30.002 2.485 16.185 1.00 0.00 O ATOM 475 CB ASP A 14 30.286 4.226 19.053 1.00 0.00 C ATOM 476 CG ASP A 14 30.178 5.695 18.678 1.00 0.00 C ATOM 477 OD1 ASP A 14 31.147 6.448 18.900 1.00 0.00 O ATOM 478 OD2 ASP A 14 29.119 6.097 18.163 1.00 0.00 O ATOM 0 H ASP A 14 32.784 4.529 17.366 1.00 0.00 H new ATOM 0 HA ASP A 14 31.149 2.361 18.397 1.00 0.00 H new ATOM 0 HB2 ASP A 14 29.286 3.794 19.089 1.00 0.00 H new ATOM 0 HB3 ASP A 14 30.704 4.145 20.056 1.00 0.00 H new ATOM 483 N ARG A 15 30.730 4.588 16.012 1.00 0.00 N ATOM 484 CA ARG A 15 30.247 4.753 14.656 1.00 0.00 C ATOM 485 C ARG A 15 31.407 4.691 13.692 1.00 0.00 C ATOM 486 O ARG A 15 32.453 5.291 13.932 1.00 0.00 O ATOM 487 CB ARG A 15 29.504 6.081 14.509 1.00 0.00 C ATOM 488 CG ARG A 15 30.327 7.294 14.906 1.00 0.00 C ATOM 489 CD ARG A 15 29.576 8.578 14.639 1.00 0.00 C ATOM 490 NE ARG A 15 29.317 8.776 13.213 1.00 0.00 N ATOM 491 CZ ARG A 15 28.910 9.925 12.678 1.00 0.00 C ATOM 492 NH1 ARG A 15 28.716 10.992 13.449 1.00 0.00 N ATOM 493 NH2 ARG A 15 28.705 10.011 11.370 1.00 0.00 N ATOM 0 H ARG A 15 31.187 5.413 16.400 1.00 0.00 H new ATOM 0 HA ARG A 15 29.551 3.946 14.429 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.184 6.194 13.473 1.00 0.00 H new ATOM 0 HB3 ARG A 15 28.602 6.051 15.120 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.582 7.233 15.964 1.00 0.00 H new ATOM 0 HG3 ARG A 15 31.265 7.297 14.351 1.00 0.00 H new ATOM 0 HD2 ARG A 15 28.630 8.564 15.181 1.00 0.00 H new ATOM 0 HD3 ARG A 15 30.151 9.421 15.023 1.00 0.00 H new ATOM 0 HE ARG A 15 29.457 7.982 12.588 1.00 0.00 H new ATOM 0 HH11 ARG A 15 28.879 10.931 14.454 1.00 0.00 H new ATOM 0 HH12 ARG A 15 28.404 11.870 13.035 1.00 0.00 H new ATOM 0 HH21 ARG A 15 28.859 9.197 10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 15 28.393 10.891 10.959 1.00 0.00 H new ATOM 507 N VAL A 16 31.239 3.964 12.610 1.00 0.00 N ATOM 508 CA VAL A 16 32.309 3.816 11.662 1.00 0.00 C ATOM 509 C VAL A 16 32.101 4.722 10.457 1.00 0.00 C ATOM 510 O VAL A 16 31.160 4.544 9.682 1.00 0.00 O ATOM 511 CB VAL A 16 32.422 2.350 11.180 1.00 0.00 C ATOM 512 CG1 VAL A 16 33.627 2.174 10.278 1.00 0.00 C ATOM 513 CG2 VAL A 16 32.490 1.393 12.363 1.00 0.00 C ATOM 0 H VAL A 16 30.378 3.472 12.370 1.00 0.00 H new ATOM 0 HA VAL A 16 33.231 4.100 12.168 1.00 0.00 H new ATOM 0 HB VAL A 16 31.527 2.113 10.605 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.688 1.136 9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 16 33.529 2.824 9.408 1.00 0.00 H new ATOM 0 HG13 VAL A 16 34.533 2.435 10.826 1.00 0.00 H new ATOM 0 HG21 VAL A 16 32.569 0.369 11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 16 33.362 1.629 12.973 1.00 0.00 H new ATOM 0 HG23 VAL A 16 31.588 1.495 12.966 1.00 0.00 H new ATOM 523 N ALA A 17 32.966 5.705 10.323 1.00 0.00 N ATOM 524 CA ALA A 17 32.961 6.580 9.174 1.00 0.00 C ATOM 525 C ALA A 17 33.820 5.978 8.076 1.00 0.00 C ATOM 526 O ALA A 17 34.724 5.187 8.360 1.00 0.00 O ATOM 527 CB ALA A 17 33.459 7.970 9.550 1.00 0.00 C ATOM 0 H ALA A 17 33.691 5.918 11.008 1.00 0.00 H new ATOM 0 HA ALA A 17 31.939 6.683 8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 17 33.447 8.612 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.810 8.394 10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.477 7.900 9.934 1.00 0.00 H new ATOM 533 N GLN A 18 33.561 6.360 6.835 1.00 0.00 N ATOM 534 CA GLN A 18 34.325 5.848 5.693 1.00 0.00 C ATOM 535 C GLN A 18 35.791 6.261 5.788 1.00 0.00 C ATOM 536 O GLN A 18 36.673 5.618 5.216 1.00 0.00 O ATOM 537 CB GLN A 18 33.737 6.367 4.381 1.00 0.00 C ATOM 538 CG GLN A 18 32.319 5.903 4.108 1.00 0.00 C ATOM 539 CD GLN A 18 31.779 6.432 2.794 1.00 0.00 C ATOM 540 OE1 GLN A 18 32.533 6.684 1.857 1.00 0.00 O ATOM 541 NE2 GLN A 18 30.475 6.587 2.711 1.00 0.00 N ATOM 0 H GLN A 18 32.828 7.024 6.586 1.00 0.00 H new ATOM 0 HA GLN A 18 34.263 4.760 5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.754 7.457 4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 18 34.376 6.048 3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 18 32.292 4.813 4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 18 31.670 6.229 4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 18 29.883 6.366 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 18 30.056 6.928 1.846 1.00 0.00 H new ATOM 550 N ASP A 19 36.035 7.324 6.523 1.00 0.00 N ATOM 551 CA ASP A 19 37.371 7.872 6.675 1.00 0.00 C ATOM 552 C ASP A 19 38.162 7.113 7.734 1.00 0.00 C ATOM 553 O ASP A 19 39.267 6.638 7.476 1.00 0.00 O ATOM 554 CB ASP A 19 37.279 9.348 7.067 1.00 0.00 C ATOM 555 CG ASP A 19 36.285 10.109 6.219 1.00 0.00 C ATOM 556 OD1 ASP A 19 35.085 10.120 6.572 1.00 0.00 O ATOM 557 OD2 ASP A 19 36.685 10.692 5.194 1.00 0.00 O ATOM 0 H ASP A 19 35.315 7.835 7.033 1.00 0.00 H new ATOM 0 HA ASP A 19 37.890 7.771 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.992 9.425 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 19 38.262 9.809 6.971 1.00 0.00 H new ATOM 562 N ILE A 20 37.579 6.977 8.920 1.00 0.00 N ATOM 563 CA ILE A 20 38.269 6.342 10.041 1.00 0.00 C ATOM 564 C ILE A 20 38.463 4.838 9.840 1.00 0.00 C ATOM 565 O ILE A 20 39.438 4.270 10.322 1.00 0.00 O ATOM 566 CB ILE A 20 37.565 6.611 11.396 1.00 0.00 C ATOM 567 CG1 ILE A 20 36.142 6.044 11.406 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.550 8.104 11.699 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.387 6.320 12.692 1.00 0.00 C ATOM 0 H ILE A 20 36.634 7.296 9.131 1.00 0.00 H new ATOM 0 HA ILE A 20 39.255 6.805 10.071 1.00 0.00 H new ATOM 0 HB ILE A 20 38.131 6.102 12.176 1.00 0.00 H new ATOM 0 HG12 ILE A 20 35.585 6.467 10.570 1.00 0.00 H new ATOM 0 HG13 ILE A 20 36.188 4.967 11.246 1.00 0.00 H new ATOM 0 HG21 ILE A 20 37.052 8.277 12.653 1.00 0.00 H new ATOM 0 HG22 ILE A 20 38.574 8.475 11.751 1.00 0.00 H new ATOM 0 HG23 ILE A 20 37.013 8.630 10.910 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.388 5.889 12.627 1.00 0.00 H new ATOM 0 HD12 ILE A 20 35.921 5.873 13.531 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.309 7.396 12.844 1.00 0.00 H new ATOM 581 N ILE A 21 37.554 4.198 9.105 1.00 0.00 N ATOM 582 CA ILE A 21 37.669 2.759 8.858 1.00 0.00 C ATOM 583 C ILE A 21 38.897 2.461 7.993 1.00 0.00 C ATOM 584 O ILE A 21 39.488 1.384 8.072 1.00 0.00 O ATOM 585 CB ILE A 21 36.392 2.175 8.187 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.460 0.642 8.144 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.200 2.744 6.785 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.220 -0.009 7.575 1.00 0.00 C ATOM 0 H ILE A 21 36.742 4.643 8.676 1.00 0.00 H new ATOM 0 HA ILE A 21 37.783 2.275 9.828 1.00 0.00 H new ATOM 0 HB ILE A 21 35.531 2.467 8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.322 0.343 7.548 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.625 0.267 9.154 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.301 2.319 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.099 3.828 6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 21 37.063 2.493 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.344 -1.092 7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.356 0.259 8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.064 0.336 6.553 1.00 0.00 H new ATOM 600 N GLN A 22 39.292 3.442 7.194 1.00 0.00 N ATOM 601 CA GLN A 22 40.442 3.309 6.320 1.00 0.00 C ATOM 602 C GLN A 22 41.727 3.415 7.128 1.00 0.00 C ATOM 603 O GLN A 22 42.792 2.986 6.694 1.00 0.00 O ATOM 604 CB GLN A 22 40.421 4.408 5.265 1.00 0.00 C ATOM 605 CG GLN A 22 41.481 4.248 4.191 1.00 0.00 C ATOM 606 CD GLN A 22 41.579 5.449 3.283 1.00 0.00 C ATOM 607 OE1 GLN A 22 40.593 6.153 3.046 1.00 0.00 O ATOM 608 NE2 GLN A 22 42.766 5.699 2.775 1.00 0.00 N ATOM 0 H GLN A 22 38.825 4.347 7.135 1.00 0.00 H new ATOM 0 HA GLN A 22 40.400 2.335 5.833 1.00 0.00 H new ATOM 0 HB2 GLN A 22 39.439 4.426 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.557 5.372 5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 22 42.448 4.076 4.664 1.00 0.00 H new ATOM 0 HG3 GLN A 22 41.256 3.364 3.594 1.00 0.00 H new ATOM 0 HE21 GLN A 22 43.554 5.091 2.997 1.00 0.00 H new ATOM 0 HE22 GLN A 22 42.898 6.501 2.159 1.00 0.00 H new ATOM 617 N LYS A 23 41.611 3.977 8.312 1.00 0.00 N ATOM 618 CA LYS A 23 42.760 4.206 9.156 1.00 0.00 C ATOM 619 C LYS A 23 42.998 3.030 10.091 1.00 0.00 C ATOM 620 O LYS A 23 43.999 2.990 10.807 1.00 0.00 O ATOM 621 CB LYS A 23 42.575 5.513 9.939 1.00 0.00 C ATOM 622 CG LYS A 23 42.242 6.728 9.050 1.00 0.00 C ATOM 623 CD LYS A 23 43.492 7.428 8.490 1.00 0.00 C ATOM 624 CE LYS A 23 44.370 6.480 7.690 1.00 0.00 C ATOM 625 NZ LYS A 23 45.517 7.165 7.048 1.00 0.00 N ATOM 0 H LYS A 23 40.725 4.285 8.713 1.00 0.00 H new ATOM 0 HA LYS A 23 43.645 4.299 8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.777 5.379 10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 23 43.487 5.723 10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.613 6.402 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.660 7.445 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 23 43.187 8.260 7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 23 44.070 7.849 9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.743 5.695 8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.767 5.994 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 46.258 6.469 6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 45.200 7.624 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 45.899 7.883 7.696 1.00 0.00 H new ATOM 639 N LEU A 24 42.086 2.066 10.067 1.00 0.00 N ATOM 640 CA LEU A 24 42.212 0.875 10.890 1.00 0.00 C ATOM 641 C LEU A 24 43.441 0.064 10.495 1.00 0.00 C ATOM 642 O LEU A 24 43.560 -0.397 9.356 1.00 0.00 O ATOM 643 CB LEU A 24 40.956 0.007 10.798 1.00 0.00 C ATOM 644 CG LEU A 24 39.759 0.491 11.616 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.547 -0.380 11.341 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.096 0.478 13.105 1.00 0.00 C ATOM 0 H LEU A 24 41.249 2.088 9.484 1.00 0.00 H new ATOM 0 HA LEU A 24 42.331 1.202 11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.656 -0.058 9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 24 41.209 -1.003 11.120 1.00 0.00 H new ATOM 0 HG LEU A 24 39.525 1.514 11.321 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.702 -0.024 11.930 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.297 -0.331 10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 24 38.771 -1.411 11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.235 0.825 13.676 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.350 -0.537 13.412 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.944 1.136 13.292 1.00 0.00 H new ATOM 658 N GLY A 25 44.354 -0.086 11.434 1.00 0.00 N ATOM 659 CA GLY A 25 45.564 -0.835 11.196 1.00 0.00 C ATOM 660 C GLY A 25 46.752 0.055 10.904 1.00 0.00 C ATOM 661 O GLY A 25 47.897 -0.382 11.011 1.00 0.00 O ATOM 0 H GLY A 25 44.277 0.305 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.782 -1.452 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.408 -1.513 10.357 1.00 0.00 H new ATOM 665 N GLN A 26 46.490 1.303 10.558 1.00 0.00 N ATOM 666 CA GLN A 26 47.555 2.229 10.230 1.00 0.00 C ATOM 667 C GLN A 26 48.116 2.892 11.478 1.00 0.00 C ATOM 668 O GLN A 26 47.428 3.012 12.500 1.00 0.00 O ATOM 669 CB GLN A 26 47.071 3.282 9.240 1.00 0.00 C ATOM 670 CG GLN A 26 46.725 2.726 7.871 1.00 0.00 C ATOM 671 CD GLN A 26 46.511 3.814 6.842 1.00 0.00 C ATOM 672 OE1 GLN A 26 47.111 4.889 6.925 1.00 0.00 O ATOM 673 NE2 GLN A 26 45.656 3.559 5.878 1.00 0.00 N ATOM 0 H GLN A 26 45.551 1.696 10.497 1.00 0.00 H new ATOM 0 HA GLN A 26 48.357 1.657 9.764 1.00 0.00 H new ATOM 0 HB2 GLN A 26 46.192 3.778 9.653 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.843 4.043 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.526 2.067 7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 26 45.823 2.119 7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 26 45.180 2.658 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.468 4.262 5.163 1.00 0.00 H new ATOM 682 N VAL A 27 49.366 3.314 11.389 1.00 0.00 N ATOM 683 CA VAL A 27 50.043 3.961 12.497 1.00 0.00 C ATOM 684 C VAL A 27 50.319 5.423 12.166 1.00 0.00 C ATOM 685 O VAL A 27 50.955 5.734 11.149 1.00 0.00 O ATOM 686 CB VAL A 27 51.382 3.256 12.830 1.00 0.00 C ATOM 687 CG1 VAL A 27 52.036 3.883 14.055 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.174 1.762 13.038 1.00 0.00 C ATOM 0 H VAL A 27 49.937 3.218 10.549 1.00 0.00 H new ATOM 0 HA VAL A 27 49.387 3.895 13.365 1.00 0.00 H new ATOM 0 HB VAL A 27 52.051 3.390 11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.974 3.371 14.269 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.234 4.937 13.862 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.369 3.790 14.912 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.129 1.291 13.270 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.480 1.603 13.863 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.764 1.322 12.129 1.00 0.00 H new ATOM 698 N GLY A 28 49.836 6.307 13.011 1.00 0.00 N ATOM 699 CA GLY A 28 50.045 7.719 12.807 1.00 0.00 C ATOM 700 C GLY A 28 50.705 8.352 14.004 1.00 0.00 C ATOM 701 O GLY A 28 50.869 7.702 15.037 1.00 0.00 O ATOM 0 H GLY A 28 49.297 6.071 13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.664 7.873 11.923 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.089 8.207 12.616 1.00 0.00 H new ATOM 705 N GLN A 29 51.068 9.611 13.889 1.00 0.00 N ATOM 706 CA GLN A 29 51.733 10.302 14.976 1.00 0.00 C ATOM 707 C GLN A 29 50.800 11.315 15.637 1.00 0.00 C ATOM 708 O GLN A 29 50.069 12.041 14.954 1.00 0.00 O ATOM 709 CB GLN A 29 53.006 10.989 14.469 1.00 0.00 C ATOM 710 CG GLN A 29 53.844 11.627 15.567 1.00 0.00 C ATOM 711 CD GLN A 29 55.154 12.189 15.052 1.00 0.00 C ATOM 712 OE1 GLN A 29 55.254 12.619 13.904 1.00 0.00 O ATOM 713 NE2 GLN A 29 56.168 12.181 15.893 1.00 0.00 N ATOM 0 H GLN A 29 50.915 10.178 13.055 1.00 0.00 H new ATOM 0 HA GLN A 29 52.011 9.564 15.729 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.616 10.257 13.940 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.729 11.756 13.745 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.271 12.426 16.038 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.050 10.885 16.338 1.00 0.00 H new ATOM 0 HE21 GLN A 29 56.045 11.816 16.837 1.00 0.00 H new ATOM 0 HE22 GLN A 29 57.077 12.540 15.600 1.00 0.00 H new ATOM 722 N ILE A 30 50.820 11.343 16.963 1.00 0.00 N ATOM 723 CA ILE A 30 50.010 12.271 17.734 1.00 0.00 C ATOM 724 C ILE A 30 50.558 13.680 17.587 1.00 0.00 C ATOM 725 O ILE A 30 51.637 13.990 18.096 1.00 0.00 O ATOM 726 CB ILE A 30 50.002 11.903 19.240 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.479 10.479 19.448 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.166 12.906 20.033 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.523 10.019 20.892 1.00 0.00 C ATOM 0 H ILE A 30 51.398 10.724 17.532 1.00 0.00 H new ATOM 0 HA ILE A 30 48.991 12.213 17.350 1.00 0.00 H new ATOM 0 HB ILE A 30 51.027 11.945 19.607 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.451 10.423 19.089 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.067 9.793 18.839 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.172 12.631 21.088 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.587 13.904 19.916 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.141 12.899 19.662 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.137 9.002 20.962 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.552 10.042 21.250 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.911 10.682 21.504 1.00 0.00 H new ATOM 741 N THR A 31 49.830 14.517 16.890 1.00 0.00 N ATOM 742 CA THR A 31 50.252 15.877 16.679 1.00 0.00 C ATOM 743 C THR A 31 49.573 16.824 17.657 1.00 0.00 C ATOM 744 O THR A 31 49.932 18.000 17.752 1.00 0.00 O ATOM 745 CB THR A 31 49.970 16.316 15.249 1.00 0.00 C ATOM 746 OG1 THR A 31 48.630 15.948 14.883 1.00 0.00 O ATOM 747 CG2 THR A 31 50.964 15.671 14.292 1.00 0.00 C ATOM 0 H THR A 31 48.938 14.277 16.458 1.00 0.00 H new ATOM 0 HA THR A 31 51.327 15.916 16.853 1.00 0.00 H new ATOM 0 HB THR A 31 50.076 17.399 15.186 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.551 15.929 13.906 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.750 15.994 13.273 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.976 15.971 14.563 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.878 14.586 14.354 1.00 0.00 H new ATOM 755 N GLY A 32 48.596 16.309 18.383 1.00 0.00 N ATOM 756 CA GLY A 32 47.905 17.110 19.359 1.00 0.00 C ATOM 757 C GLY A 32 46.719 16.390 19.944 1.00 0.00 C ATOM 758 O GLY A 32 46.378 15.288 19.512 1.00 0.00 O ATOM 0 H GLY A 32 48.270 15.345 18.311 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.594 17.382 20.158 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.572 18.039 18.896 1.00 0.00 H new ATOM 762 N PHE A 33 46.097 16.997 20.926 1.00 0.00 N ATOM 763 CA PHE A 33 44.927 16.424 21.555 1.00 0.00 C ATOM 764 C PHE A 33 43.688 17.213 21.178 1.00 0.00 C ATOM 765 O PHE A 33 43.781 18.368 20.750 1.00 0.00 O ATOM 766 CB PHE A 33 45.086 16.381 23.080 1.00 0.00 C ATOM 767 CG PHE A 33 46.036 15.319 23.567 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.581 14.037 23.830 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.380 15.602 23.769 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.443 13.057 24.285 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.248 14.624 24.224 1.00 0.00 C ATOM 772 CZ PHE A 33 47.777 13.351 24.482 1.00 0.00 C ATOM 0 H PHE A 33 46.384 17.897 21.311 1.00 0.00 H new ATOM 0 HA PHE A 33 44.817 15.400 21.197 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.436 17.354 23.426 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.108 16.215 23.532 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.538 13.800 23.677 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.753 16.596 23.569 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.073 12.062 24.486 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.292 14.856 24.377 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.452 12.587 24.838 1.00 0.00 H new ATOM 782 N LYS A 34 42.541 16.596 21.324 1.00 0.00 N ATOM 783 CA LYS A 34 41.293 17.234 20.986 1.00 0.00 C ATOM 784 C LYS A 34 40.324 17.146 22.150 1.00 0.00 C ATOM 785 O LYS A 34 40.217 16.102 22.800 1.00 0.00 O ATOM 786 CB LYS A 34 40.672 16.562 19.761 1.00 0.00 C ATOM 787 CG LYS A 34 39.456 17.284 19.226 1.00 0.00 C ATOM 788 CD LYS A 34 38.695 16.431 18.232 1.00 0.00 C ATOM 789 CE LYS A 34 37.405 17.105 17.801 1.00 0.00 C ATOM 790 NZ LYS A 34 36.499 17.355 18.952 1.00 0.00 N ATOM 0 H LYS A 34 42.446 15.644 21.678 1.00 0.00 H new ATOM 0 HA LYS A 34 41.493 18.282 20.762 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.422 16.498 18.973 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.393 15.540 20.020 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.799 17.554 20.053 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.765 18.213 18.748 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.319 16.243 17.358 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.470 15.462 18.678 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.636 18.050 17.309 1.00 0.00 H new ATOM 0 HE3 LYS A 34 36.896 16.480 17.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 35.561 16.954 18.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 36.890 16.907 19.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 36.411 18.379 19.109 1.00 0.00 H new ATOM 804 N MET A 35 39.628 18.233 22.421 1.00 0.00 N ATOM 805 CA MET A 35 38.632 18.236 23.472 1.00 0.00 C ATOM 806 C MET A 35 37.372 17.537 22.976 1.00 0.00 C ATOM 807 O MET A 35 37.001 17.662 21.802 1.00 0.00 O ATOM 808 CB MET A 35 38.306 19.666 23.933 1.00 0.00 C ATOM 809 CG MET A 35 37.621 20.524 22.881 1.00 0.00 C ATOM 810 SD MET A 35 37.157 22.153 23.498 1.00 0.00 S ATOM 811 CE MET A 35 36.422 22.866 22.026 1.00 0.00 C ATOM 0 H MET A 35 39.734 19.121 21.930 1.00 0.00 H new ATOM 0 HA MET A 35 39.033 17.699 24.331 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.667 19.614 24.814 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.231 20.156 24.238 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.286 20.641 22.025 1.00 0.00 H new ATOM 0 HG3 MET A 35 36.729 20.009 22.524 1.00 0.00 H new ATOM 0 HE1 MET A 35 36.083 23.879 22.243 1.00 0.00 H new ATOM 0 HE2 MET A 35 37.163 22.895 21.227 1.00 0.00 H new ATOM 0 HE3 MET A 35 35.573 22.258 21.712 1.00 0.00 H new ATOM 821 N THR A 36 36.742 16.790 23.847 1.00 0.00 N ATOM 822 CA THR A 36 35.542 16.069 23.495 1.00 0.00 C ATOM 823 C THR A 36 34.375 16.525 24.357 1.00 0.00 C ATOM 824 O THR A 36 34.569 16.969 25.495 1.00 0.00 O ATOM 825 CB THR A 36 35.749 14.552 23.657 1.00 0.00 C ATOM 826 OG1 THR A 36 36.276 14.270 24.962 1.00 0.00 O ATOM 827 CG2 THR A 36 36.711 14.027 22.598 1.00 0.00 C ATOM 0 H THR A 36 37.042 16.664 24.814 1.00 0.00 H new ATOM 0 HA THR A 36 35.316 16.281 22.450 1.00 0.00 H new ATOM 0 HB THR A 36 34.786 14.057 23.535 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.747 13.411 24.946 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.845 12.953 22.728 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.303 14.224 21.606 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.674 14.528 22.701 1.00 0.00 H new ATOM 835 N ASP A 37 33.166 16.427 23.823 1.00 0.00 N ATOM 836 CA ASP A 37 31.977 16.841 24.561 1.00 0.00 C ATOM 837 C ASP A 37 31.548 15.750 25.532 1.00 0.00 C ATOM 838 O ASP A 37 30.736 15.983 26.424 1.00 0.00 O ATOM 839 CB ASP A 37 30.820 17.189 23.608 1.00 0.00 C ATOM 840 CG ASP A 37 30.193 15.973 22.953 1.00 0.00 C ATOM 841 OD1 ASP A 37 30.764 15.463 21.965 1.00 0.00 O ATOM 842 OD2 ASP A 37 29.117 15.528 23.414 1.00 0.00 O ATOM 0 H ASP A 37 32.981 16.067 22.887 1.00 0.00 H new ATOM 0 HA ASP A 37 32.231 17.738 25.126 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.053 17.730 24.162 1.00 0.00 H new ATOM 0 HB3 ASP A 37 31.187 17.861 22.833 1.00 0.00 H new ATOM 847 N GLY A 38 32.110 14.571 25.358 1.00 0.00 N ATOM 848 CA GLY A 38 31.801 13.460 26.221 1.00 0.00 C ATOM 849 C GLY A 38 32.795 12.344 26.045 1.00 0.00 C ATOM 850 O GLY A 38 33.739 12.480 25.259 1.00 0.00 O ATOM 0 H GLY A 38 32.785 14.362 24.623 1.00 0.00 H new ATOM 0 HA2 GLY A 38 31.802 13.791 27.259 1.00 0.00 H new ATOM 0 HA3 GLY A 38 30.797 13.095 26.003 1.00 0.00 H new ATOM 854 N SER A 39 32.587 11.244 26.768 1.00 0.00 N ATOM 855 CA SER A 39 33.474 10.082 26.702 1.00 0.00 C ATOM 856 C SER A 39 34.895 10.457 27.167 1.00 0.00 C ATOM 857 O SER A 39 35.074 11.431 27.913 1.00 0.00 O ATOM 858 CB SER A 39 33.488 9.519 25.274 1.00 0.00 C ATOM 859 OG SER A 39 32.163 9.234 24.828 1.00 0.00 O ATOM 0 H SER A 39 31.804 11.133 27.412 1.00 0.00 H new ATOM 0 HA SER A 39 33.100 9.310 27.374 1.00 0.00 H new ATOM 0 HB2 SER A 39 33.957 10.236 24.600 1.00 0.00 H new ATOM 0 HB3 SER A 39 34.090 8.611 25.242 1.00 0.00 H new ATOM 0 HG SER A 39 32.194 8.878 23.915 1.00 0.00 H new ATOM 865 N GLY A 40 35.890 9.679 26.755 1.00 0.00 N ATOM 866 CA GLY A 40 37.260 9.968 27.135 1.00 0.00 C ATOM 867 C GLY A 40 37.848 11.117 26.336 1.00 0.00 C ATOM 868 O GLY A 40 37.128 11.817 25.623 1.00 0.00 O ATOM 0 H GLY A 40 35.773 8.855 26.166 1.00 0.00 H new ATOM 0 HA2 GLY A 40 37.297 10.210 28.197 1.00 0.00 H new ATOM 0 HA3 GLY A 40 37.871 9.077 26.990 1.00 0.00 H new ATOM 872 N VAL A 41 39.151 11.311 26.443 1.00 0.00 N ATOM 873 CA VAL A 41 39.812 12.391 25.717 1.00 0.00 C ATOM 874 C VAL A 41 40.043 12.004 24.263 1.00 0.00 C ATOM 875 O VAL A 41 40.106 10.815 23.925 1.00 0.00 O ATOM 876 CB VAL A 41 41.162 12.807 26.363 1.00 0.00 C ATOM 877 CG1 VAL A 41 40.942 13.358 27.762 1.00 0.00 C ATOM 878 CG2 VAL A 41 42.140 11.641 26.393 1.00 0.00 C ATOM 0 H VAL A 41 39.771 10.742 27.019 1.00 0.00 H new ATOM 0 HA VAL A 41 39.141 13.249 25.766 1.00 0.00 H new ATOM 0 HB VAL A 41 41.598 13.594 25.748 1.00 0.00 H new ATOM 0 HG11 VAL A 41 41.901 13.643 28.196 1.00 0.00 H new ATOM 0 HG12 VAL A 41 40.293 14.232 27.711 1.00 0.00 H new ATOM 0 HG13 VAL A 41 40.475 12.595 28.384 1.00 0.00 H new ATOM 0 HG21 VAL A 41 43.076 11.963 26.851 1.00 0.00 H new ATOM 0 HG22 VAL A 41 41.714 10.823 26.974 1.00 0.00 H new ATOM 0 HG23 VAL A 41 42.332 11.301 25.375 1.00 0.00 H new ATOM 888 N GLY A 42 40.158 13.003 23.407 1.00 0.00 N ATOM 889 CA GLY A 42 40.377 12.747 22.011 1.00 0.00 C ATOM 890 C GLY A 42 41.800 13.033 21.602 1.00 0.00 C ATOM 891 O GLY A 42 42.419 13.979 22.092 1.00 0.00 O ATOM 0 H GLY A 42 40.103 13.990 23.660 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.139 11.706 21.791 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.699 13.361 21.419 1.00 0.00 H new ATOM 895 N VAL A 43 42.316 12.223 20.715 1.00 0.00 N ATOM 896 CA VAL A 43 43.671 12.363 20.234 1.00 0.00 C ATOM 897 C VAL A 43 43.667 12.652 18.738 1.00 0.00 C ATOM 898 O VAL A 43 43.002 11.956 17.970 1.00 0.00 O ATOM 899 CB VAL A 43 44.489 11.075 20.499 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.928 11.244 20.051 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.426 10.688 21.971 1.00 0.00 C ATOM 0 H VAL A 43 41.807 11.442 20.302 1.00 0.00 H new ATOM 0 HA VAL A 43 44.134 13.192 20.770 1.00 0.00 H new ATOM 0 HB VAL A 43 44.045 10.269 19.914 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.481 10.325 20.248 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.954 11.461 18.983 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.385 12.068 20.599 1.00 0.00 H new ATOM 0 HG21 VAL A 43 45.008 9.781 22.134 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.836 11.496 22.577 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.389 10.511 22.256 1.00 0.00 H new ATOM 911 N ILE A 44 44.388 13.681 18.331 1.00 0.00 N ATOM 912 CA ILE A 44 44.484 14.032 16.926 1.00 0.00 C ATOM 913 C ILE A 44 45.727 13.394 16.321 1.00 0.00 C ATOM 914 O ILE A 44 46.860 13.717 16.700 1.00 0.00 O ATOM 915 CB ILE A 44 44.508 15.566 16.712 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.205 16.185 17.221 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.723 15.902 15.241 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.118 17.686 17.027 1.00 0.00 C ATOM 0 H ILE A 44 44.917 14.290 18.956 1.00 0.00 H new ATOM 0 HA ILE A 44 43.595 13.650 16.424 1.00 0.00 H new ATOM 0 HB ILE A 44 45.340 15.984 17.278 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.366 15.714 16.709 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.098 15.959 18.282 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.736 16.984 15.113 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.674 15.485 14.908 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.913 15.477 14.648 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.165 18.048 17.413 1.00 0.00 H new ATOM 0 HD12 ILE A 44 43.934 18.170 17.563 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.192 17.920 15.965 1.00 0.00 H new ATOM 930 N VAL A 45 45.511 12.478 15.400 1.00 0.00 N ATOM 931 CA VAL A 45 46.593 11.739 14.790 1.00 0.00 C ATOM 932 C VAL A 45 46.777 12.144 13.332 1.00 0.00 C ATOM 933 O VAL A 45 45.844 12.054 12.532 1.00 0.00 O ATOM 934 CB VAL A 45 46.317 10.222 14.856 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.558 9.430 14.495 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.799 9.828 16.232 1.00 0.00 C ATOM 0 H VAL A 45 44.584 12.227 15.055 1.00 0.00 H new ATOM 0 HA VAL A 45 47.502 11.971 15.344 1.00 0.00 H new ATOM 0 HB VAL A 45 45.545 9.985 14.124 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.338 8.364 14.549 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.871 9.685 13.482 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.359 9.671 15.194 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.611 8.755 16.256 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.542 10.084 16.987 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.872 10.363 16.439 1.00 0.00 H new ATOM 946 N THR A 46 47.968 12.594 12.991 1.00 0.00 N ATOM 947 CA THR A 46 48.267 12.972 11.625 1.00 0.00 C ATOM 948 C THR A 46 48.927 11.811 10.892 1.00 0.00 C ATOM 949 O THR A 46 49.987 11.315 11.302 1.00 0.00 O ATOM 950 CB THR A 46 49.171 14.218 11.568 1.00 0.00 C ATOM 951 OG1 THR A 46 48.540 15.294 12.277 1.00 0.00 O ATOM 952 CG2 THR A 46 49.420 14.647 10.125 1.00 0.00 C ATOM 0 H THR A 46 48.745 12.707 13.642 1.00 0.00 H new ATOM 0 HA THR A 46 47.326 13.220 11.134 1.00 0.00 H new ATOM 0 HB THR A 46 50.128 13.972 12.028 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.928 16.147 11.989 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.061 15.529 10.113 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.908 13.836 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.470 14.883 9.646 1.00 0.00 H new ATOM 960 N PHE A 47 48.295 11.371 9.825 1.00 0.00 N ATOM 961 CA PHE A 47 48.779 10.235 9.066 1.00 0.00 C ATOM 962 C PHE A 47 49.588 10.672 7.854 1.00 0.00 C ATOM 963 O PHE A 47 49.765 11.871 7.607 1.00 0.00 O ATOM 964 CB PHE A 47 47.610 9.357 8.631 1.00 0.00 C ATOM 965 CG PHE A 47 46.894 8.701 9.775 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.873 9.360 10.434 1.00 0.00 C ATOM 967 CD2 PHE A 47 47.242 7.427 10.190 1.00 0.00 C ATOM 968 CE1 PHE A 47 45.211 8.763 11.485 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.585 6.823 11.242 1.00 0.00 C ATOM 970 CZ PHE A 47 45.567 7.492 11.891 1.00 0.00 C ATOM 0 H PHE A 47 47.438 11.786 9.460 1.00 0.00 H new ATOM 0 HA PHE A 47 49.440 9.659 9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 47 46.900 9.964 8.069 1.00 0.00 H new ATOM 0 HB3 PHE A 47 47.978 8.586 7.953 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.591 10.355 10.121 1.00 0.00 H new ATOM 0 HD2 PHE A 47 48.037 6.900 9.684 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.415 9.289 11.991 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.867 5.829 11.557 1.00 0.00 H new ATOM 0 HZ PHE A 47 45.050 7.022 12.715 1.00 0.00 H new ATOM 980 N ASP A 48 50.052 9.690 7.089 1.00 0.00 N ATOM 981 CA ASP A 48 50.867 9.931 5.901 1.00 0.00 C ATOM 982 C ASP A 48 50.068 10.667 4.826 1.00 0.00 C ATOM 983 O ASP A 48 50.631 11.267 3.911 1.00 0.00 O ATOM 984 CB ASP A 48 51.405 8.610 5.363 1.00 0.00 C ATOM 985 CG ASP A 48 52.350 8.784 4.198 1.00 0.00 C ATOM 986 OD1 ASP A 48 53.506 9.196 4.425 1.00 0.00 O ATOM 987 OD2 ASP A 48 51.948 8.486 3.054 1.00 0.00 O ATOM 0 H ASP A 48 49.874 8.703 7.274 1.00 0.00 H new ATOM 0 HA ASP A 48 51.707 10.566 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 48 51.920 8.081 6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 48 50.569 7.983 5.054 1.00 0.00 H new ATOM 992 N ASP A 49 48.743 10.634 4.962 1.00 0.00 N ATOM 993 CA ASP A 49 47.838 11.340 4.044 1.00 0.00 C ATOM 994 C ASP A 49 47.970 12.843 4.220 1.00 0.00 C ATOM 995 O ASP A 49 47.412 13.617 3.450 1.00 0.00 O ATOM 996 CB ASP A 49 46.380 10.948 4.312 1.00 0.00 C ATOM 997 CG ASP A 49 46.102 9.490 4.072 1.00 0.00 C ATOM 998 OD1 ASP A 49 45.826 9.117 2.915 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.147 8.708 5.040 1.00 0.00 O ATOM 0 H ASP A 49 48.265 10.123 5.704 1.00 0.00 H new ATOM 0 HA ASP A 49 48.114 11.059 3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.129 11.193 5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 49 45.728 11.545 3.675 1.00 0.00 H new ATOM 1004 N ARG A 50 48.705 13.239 5.271 1.00 0.00 N ATOM 1005 CA ARG A 50 48.929 14.646 5.633 1.00 0.00 C ATOM 1006 C ARG A 50 47.687 15.230 6.279 1.00 0.00 C ATOM 1007 O ARG A 50 47.622 16.422 6.568 1.00 0.00 O ATOM 1008 CB ARG A 50 49.381 15.496 4.426 1.00 0.00 C ATOM 1009 CG ARG A 50 50.569 14.911 3.673 1.00 0.00 C ATOM 1010 CD ARG A 50 51.725 14.600 4.609 1.00 0.00 C ATOM 1011 NE ARG A 50 52.763 13.821 3.946 1.00 0.00 N ATOM 1012 CZ ARG A 50 53.489 12.874 4.541 1.00 0.00 C ATOM 1013 NH1 ARG A 50 53.306 12.599 5.830 1.00 0.00 N ATOM 1014 NH2 ARG A 50 54.395 12.204 3.850 1.00 0.00 N ATOM 0 H ARG A 50 49.166 12.582 5.901 1.00 0.00 H new ATOM 0 HA ARG A 50 49.744 14.672 6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.544 15.605 3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.640 16.496 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 50 50.262 14.001 3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 50 50.898 15.614 2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.152 15.531 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 50 51.355 14.050 5.474 1.00 0.00 H new ATOM 0 HE ARG A 50 52.946 14.013 2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.608 13.113 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 50 53.864 11.874 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 50 54.539 12.411 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 50 54.950 11.480 4.305 1.00 0.00 H new ATOM 1028 N SER A 51 46.713 14.372 6.518 1.00 0.00 N ATOM 1029 CA SER A 51 45.489 14.765 7.162 1.00 0.00 C ATOM 1030 C SER A 51 45.503 14.277 8.596 1.00 0.00 C ATOM 1031 O SER A 51 46.130 13.250 8.909 1.00 0.00 O ATOM 1032 CB SER A 51 44.282 14.178 6.427 1.00 0.00 C ATOM 1033 OG SER A 51 43.073 14.796 6.844 1.00 0.00 O ATOM 0 H SER A 51 46.755 13.384 6.268 1.00 0.00 H new ATOM 0 HA SER A 51 45.409 15.852 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.408 14.310 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.227 13.105 6.612 1.00 0.00 H new ATOM 0 HG SER A 51 42.319 14.402 6.357 1.00 0.00 H new ATOM 1039 N SER A 52 44.840 15.001 9.461 1.00 0.00 N ATOM 1040 CA SER A 52 44.774 14.639 10.846 1.00 0.00 C ATOM 1041 C SER A 52 43.383 14.138 11.208 1.00 0.00 C ATOM 1042 O SER A 52 42.377 14.815 10.967 1.00 0.00 O ATOM 1043 CB SER A 52 45.183 15.829 11.707 1.00 0.00 C ATOM 1044 OG SER A 52 44.565 17.027 11.253 1.00 0.00 O ATOM 0 H SER A 52 44.334 15.854 9.223 1.00 0.00 H new ATOM 0 HA SER A 52 45.470 13.822 11.036 1.00 0.00 H new ATOM 0 HB2 SER A 52 44.905 15.644 12.745 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.267 15.944 11.683 1.00 0.00 H new ATOM 0 HG SER A 52 43.639 16.839 10.994 1.00 0.00 H new ATOM 1050 N THR A 53 43.330 12.952 11.772 1.00 0.00 N ATOM 1051 CA THR A 53 42.083 12.342 12.159 1.00 0.00 C ATOM 1052 C THR A 53 42.061 12.129 13.668 1.00 0.00 C ATOM 1053 O THR A 53 43.038 11.654 14.249 1.00 0.00 O ATOM 1054 CB THR A 53 41.893 10.989 11.432 1.00 0.00 C ATOM 1055 OG1 THR A 53 42.136 11.162 10.026 1.00 0.00 O ATOM 1056 CG2 THR A 53 40.479 10.460 11.629 1.00 0.00 C ATOM 0 H THR A 53 44.153 12.385 11.974 1.00 0.00 H new ATOM 0 HA THR A 53 41.266 13.005 11.876 1.00 0.00 H new ATOM 0 HB THR A 53 42.599 10.272 11.852 1.00 0.00 H new ATOM 0 HG1 THR A 53 42.017 10.305 9.566 1.00 0.00 H new ATOM 0 HG21 THR A 53 40.371 9.508 11.109 1.00 0.00 H new ATOM 0 HG22 THR A 53 40.289 10.316 12.693 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.763 11.177 11.227 1.00 0.00 H new ATOM 1064 N TRP A 54 40.964 12.506 14.306 1.00 0.00 N ATOM 1065 CA TRP A 54 40.860 12.372 15.743 1.00 0.00 C ATOM 1066 C TRP A 54 40.212 11.053 16.140 1.00 0.00 C ATOM 1067 O TRP A 54 39.271 10.575 15.489 1.00 0.00 O ATOM 1068 CB TRP A 54 40.102 13.557 16.367 1.00 0.00 C ATOM 1069 CG TRP A 54 38.651 13.648 15.978 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.132 14.263 14.878 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.534 13.111 16.702 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.764 14.137 14.868 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.373 13.435 15.979 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.407 12.385 17.892 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.102 13.059 16.405 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 36.145 12.013 18.313 1.00 0.00 C ATOM 1077 CH2 TRP A 54 35.008 12.349 17.572 1.00 0.00 C ATOM 0 H TRP A 54 40.141 12.904 13.852 1.00 0.00 H new ATOM 0 HA TRP A 54 41.877 12.377 16.136 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.170 13.483 17.452 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.601 14.482 16.079 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.712 14.775 14.124 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.140 14.506 14.150 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.280 12.120 18.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.222 13.318 15.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 36.035 11.453 19.230 1.00 0.00 H new ATOM 0 HH2 TRP A 54 34.035 12.042 17.927 1.00 0.00 H new ATOM 1088 N PHE A 55 40.730 10.472 17.193 1.00 0.00 N ATOM 1089 CA PHE A 55 40.221 9.235 17.742 1.00 0.00 C ATOM 1090 C PHE A 55 40.165 9.357 19.249 1.00 0.00 C ATOM 1091 O PHE A 55 40.728 10.291 19.813 1.00 0.00 O ATOM 1092 CB PHE A 55 41.130 8.063 17.363 1.00 0.00 C ATOM 1093 CG PHE A 55 41.252 7.823 15.887 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.300 7.084 15.211 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.324 8.335 15.179 1.00 0.00 C ATOM 1096 CE1 PHE A 55 40.412 6.859 13.856 1.00 0.00 C ATOM 1097 CE2 PHE A 55 42.441 8.114 13.825 1.00 0.00 C ATOM 1098 CZ PHE A 55 41.484 7.374 13.160 1.00 0.00 C ATOM 0 H PHE A 55 41.529 10.849 17.702 1.00 0.00 H new ATOM 0 HA PHE A 55 39.226 9.048 17.338 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.124 8.243 17.772 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.750 7.157 17.836 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.458 6.678 15.751 1.00 0.00 H new ATOM 0 HD2 PHE A 55 43.077 8.914 15.693 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.660 6.280 13.340 1.00 0.00 H new ATOM 0 HE2 PHE A 55 43.282 8.520 13.283 1.00 0.00 H new ATOM 0 HZ PHE A 55 41.575 7.199 12.098 1.00 0.00 H new ATOM 1108 N PHE A 56 39.491 8.443 19.904 1.00 0.00 N ATOM 1109 CA PHE A 56 39.434 8.475 21.352 1.00 0.00 C ATOM 1110 C PHE A 56 40.626 7.773 21.970 1.00 0.00 C ATOM 1111 O PHE A 56 41.264 6.923 21.340 1.00 0.00 O ATOM 1112 CB PHE A 56 38.136 7.879 21.887 1.00 0.00 C ATOM 1113 CG PHE A 56 36.984 8.843 21.892 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.859 9.778 22.903 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.032 8.816 20.896 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.805 10.667 22.919 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.972 9.704 20.904 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.860 10.630 21.918 1.00 0.00 C ATOM 0 H PHE A 56 38.979 7.676 19.468 1.00 0.00 H new ATOM 0 HA PHE A 56 39.464 9.526 21.640 1.00 0.00 H new ATOM 0 HB2 PHE A 56 37.869 7.012 21.283 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.303 7.521 22.903 1.00 0.00 H new ATOM 0 HD1 PHE A 56 37.597 9.812 23.691 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.115 8.092 20.099 1.00 0.00 H new ATOM 0 HE1 PHE A 56 35.721 11.391 23.716 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.233 9.672 20.117 1.00 0.00 H new ATOM 0 HZ PHE A 56 34.033 11.325 21.928 1.00 0.00 H new ATOM 1128 N GLU A 57 40.914 8.133 23.208 1.00 0.00 N ATOM 1129 CA GLU A 57 42.023 7.566 23.975 1.00 0.00 C ATOM 1130 C GLU A 57 41.975 6.031 24.032 1.00 0.00 C ATOM 1131 O GLU A 57 43.008 5.377 24.135 1.00 0.00 O ATOM 1132 CB GLU A 57 42.002 8.127 25.396 1.00 0.00 C ATOM 1133 CG GLU A 57 40.628 8.062 26.047 1.00 0.00 C ATOM 1134 CD GLU A 57 40.677 8.201 27.549 1.00 0.00 C ATOM 1135 OE1 GLU A 57 41.121 7.244 28.221 1.00 0.00 O ATOM 1136 OE2 GLU A 57 40.257 9.253 28.067 1.00 0.00 O ATOM 0 H GLU A 57 40.381 8.836 23.721 1.00 0.00 H new ATOM 0 HA GLU A 57 42.945 7.846 23.466 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.714 7.573 26.009 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.338 9.164 25.375 1.00 0.00 H new ATOM 0 HG2 GLU A 57 40.000 8.852 25.635 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.156 7.113 25.791 1.00 0.00 H new ATOM 1143 N ASP A 58 40.779 5.468 23.972 1.00 0.00 N ATOM 1144 CA ASP A 58 40.603 4.021 24.063 1.00 0.00 C ATOM 1145 C ASP A 58 40.369 3.403 22.688 1.00 0.00 C ATOM 1146 O ASP A 58 40.228 2.186 22.558 1.00 0.00 O ATOM 1147 CB ASP A 58 39.423 3.693 24.980 1.00 0.00 C ATOM 1148 CG ASP A 58 38.087 4.130 24.401 1.00 0.00 C ATOM 1149 OD1 ASP A 58 37.957 5.308 24.009 1.00 0.00 O ATOM 1150 OD2 ASP A 58 37.157 3.295 24.342 1.00 0.00 O ATOM 0 H ASP A 58 39.910 5.991 23.860 1.00 0.00 H new ATOM 0 HA ASP A 58 41.518 3.598 24.478 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.400 2.619 25.164 1.00 0.00 H new ATOM 0 HB3 ASP A 58 39.572 4.179 25.944 1.00 0.00 H new ATOM 1155 N GLU A 59 40.345 4.241 21.673 1.00 0.00 N ATOM 1156 CA GLU A 59 40.081 3.803 20.310 1.00 0.00 C ATOM 1157 C GLU A 59 41.387 3.488 19.568 1.00 0.00 C ATOM 1158 O GLU A 59 41.409 2.700 18.619 1.00 0.00 O ATOM 1159 CB GLU A 59 39.255 4.889 19.603 1.00 0.00 C ATOM 1160 CG GLU A 59 39.134 4.771 18.103 1.00 0.00 C ATOM 1161 CD GLU A 59 38.127 5.758 17.553 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.155 6.939 17.971 1.00 0.00 O ATOM 1163 OE2 GLU A 59 37.281 5.355 16.736 1.00 0.00 O ATOM 0 H GLU A 59 40.507 5.244 21.764 1.00 0.00 H new ATOM 0 HA GLU A 59 39.509 2.875 20.318 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.251 4.885 20.028 1.00 0.00 H new ATOM 0 HB3 GLU A 59 39.696 5.859 19.835 1.00 0.00 H new ATOM 0 HG2 GLU A 59 40.106 4.946 17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.834 3.757 17.839 1.00 0.00 H new ATOM 1170 N VAL A 60 42.475 4.067 20.035 1.00 0.00 N ATOM 1171 CA VAL A 60 43.780 3.827 19.441 1.00 0.00 C ATOM 1172 C VAL A 60 44.777 3.391 20.503 1.00 0.00 C ATOM 1173 O VAL A 60 44.671 3.795 21.660 1.00 0.00 O ATOM 1174 CB VAL A 60 44.322 5.082 18.707 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.436 5.436 17.526 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.433 6.268 19.663 1.00 0.00 C ATOM 0 H VAL A 60 42.484 4.710 20.827 1.00 0.00 H new ATOM 0 HA VAL A 60 43.656 3.031 18.707 1.00 0.00 H new ATOM 0 HB VAL A 60 45.320 4.849 18.335 1.00 0.00 H new ATOM 0 HG11 VAL A 60 43.833 6.319 17.025 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.412 4.601 16.826 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.425 5.643 17.878 1.00 0.00 H new ATOM 0 HG21 VAL A 60 44.815 7.135 19.124 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.449 6.499 20.072 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.114 6.017 20.476 1.00 0.00 H new ATOM 1186 N GLU A 61 45.728 2.561 20.120 1.00 0.00 N ATOM 1187 CA GLU A 61 46.744 2.103 21.052 1.00 0.00 C ATOM 1188 C GLU A 61 48.060 2.812 20.776 1.00 0.00 C ATOM 1189 O GLU A 61 48.395 3.083 19.624 1.00 0.00 O ATOM 1190 CB GLU A 61 46.933 0.583 20.969 1.00 0.00 C ATOM 1191 CG GLU A 61 47.446 0.089 19.625 1.00 0.00 C ATOM 1192 CD GLU A 61 47.769 -1.384 19.642 1.00 0.00 C ATOM 1193 OE1 GLU A 61 46.837 -2.206 19.523 1.00 0.00 O ATOM 1194 OE2 GLU A 61 48.958 -1.727 19.773 1.00 0.00 O ATOM 0 H GLU A 61 45.820 2.190 19.174 1.00 0.00 H new ATOM 0 HA GLU A 61 46.411 2.344 22.061 1.00 0.00 H new ATOM 0 HB2 GLU A 61 47.630 0.272 21.747 1.00 0.00 H new ATOM 0 HB3 GLU A 61 45.980 0.098 21.182 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.697 0.286 18.858 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.338 0.651 19.350 1.00 0.00 H new ATOM 1201 N VAL A 62 48.793 3.116 21.829 1.00 0.00 N ATOM 1202 CA VAL A 62 50.064 3.808 21.693 1.00 0.00 C ATOM 1203 C VAL A 62 51.156 2.836 21.270 1.00 0.00 C ATOM 1204 O VAL A 62 51.255 1.728 21.804 1.00 0.00 O ATOM 1205 CB VAL A 62 50.469 4.509 23.010 1.00 0.00 C ATOM 1206 CG1 VAL A 62 51.739 5.331 22.818 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.331 5.385 23.516 1.00 0.00 C ATOM 0 H VAL A 62 48.532 2.895 22.790 1.00 0.00 H new ATOM 0 HA VAL A 62 49.943 4.570 20.923 1.00 0.00 H new ATOM 0 HB VAL A 62 50.674 3.743 23.758 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.005 5.815 23.758 1.00 0.00 H new ATOM 0 HG12 VAL A 62 52.552 4.676 22.504 1.00 0.00 H new ATOM 0 HG13 VAL A 62 51.569 6.090 22.054 1.00 0.00 H new ATOM 0 HG21 VAL A 62 49.631 5.872 24.444 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.095 6.143 22.769 1.00 0.00 H new ATOM 0 HG23 VAL A 62 48.451 4.769 23.698 1.00 0.00 H new ATOM 1217 N VAL A 63 51.946 3.242 20.295 1.00 0.00 N ATOM 1218 CA VAL A 63 53.023 2.428 19.785 1.00 0.00 C ATOM 1219 C VAL A 63 54.203 3.307 19.348 1.00 0.00 C ATOM 1220 O VAL A 63 54.121 4.038 18.362 1.00 0.00 O ATOM 1221 CB VAL A 63 52.541 1.513 18.613 1.00 0.00 C ATOM 1222 CG1 VAL A 63 51.814 2.316 17.540 1.00 0.00 C ATOM 1223 CG2 VAL A 63 53.702 0.740 18.009 1.00 0.00 C ATOM 0 H VAL A 63 51.856 4.148 19.836 1.00 0.00 H new ATOM 0 HA VAL A 63 53.361 1.776 20.590 1.00 0.00 H new ATOM 0 HB VAL A 63 51.834 0.796 19.030 1.00 0.00 H new ATOM 0 HG11 VAL A 63 51.493 1.648 16.741 1.00 0.00 H new ATOM 0 HG12 VAL A 63 50.943 2.803 17.978 1.00 0.00 H new ATOM 0 HG13 VAL A 63 52.486 3.072 17.133 1.00 0.00 H new ATOM 0 HG21 VAL A 63 53.337 0.112 17.196 1.00 0.00 H new ATOM 0 HG22 VAL A 63 54.443 1.440 17.622 1.00 0.00 H new ATOM 0 HG23 VAL A 63 54.159 0.113 18.775 1.00 0.00 H new ATOM 1233 N GLY A 64 55.278 3.254 20.102 1.00 0.00 N ATOM 1234 CA GLY A 64 56.441 4.042 19.779 1.00 0.00 C ATOM 1235 C GLY A 64 57.190 4.451 21.015 1.00 0.00 C ATOM 1236 O GLY A 64 57.875 5.486 20.988 1.00 0.00 O ATOM 1237 OXT GLY A 64 57.075 3.747 22.039 1.00 0.00 O ATOM 0 H GLY A 64 55.369 2.676 20.938 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.100 3.469 19.126 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.137 4.931 19.226 1.00 0.00 H new TER 1241 GLY A 64