USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 677 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 29 LYS NZ :NH3+ -163:sc= -0.0584 (180deg=-0.474) USER MOD Set 1.2: A 49 LYS NZ :NH3+ 180:sc= -0.0889 (180deg=-0.0889) USER MOD Set 2.1: A 5 MET CE :methyl -124:sc= -6.57! (180deg=-16.3!) USER MOD Set 2.2: A 70 THR OG1 : rot -81:sc= 0.271 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0846 (180deg=-0.138) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.3) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 41:sc= 0.621 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 18 THR OG1 : rot -160:sc= -0.868 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.471 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -55:sc= 0.444 USER MOD Single : A 43 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.6) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc=-0.00549 (180deg=-0.104) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.191 K(o=0.19,f=-2.4!) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00014) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= -0.101 (180deg=-0.601) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -147:sc= -3.58! (180deg=-7.7!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 62:sc= 1.51 USER MOD Single : A 81 SER OG : rot -44:sc= 0.627 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.867 -0.178 -0.580 1.00 0.00 N ATOM 2 CA MET A 1 1.681 -0.605 -1.712 1.00 0.00 C ATOM 3 C MET A 1 3.141 -0.771 -1.300 1.00 0.00 C ATOM 4 O MET A 1 3.530 -0.395 -0.194 1.00 0.00 O ATOM 5 CB MET A 1 1.574 0.406 -2.855 1.00 0.00 C ATOM 6 CG MET A 1 1.838 1.840 -2.425 1.00 0.00 C ATOM 7 SD MET A 1 2.344 2.894 -3.798 1.00 0.00 S ATOM 8 CE MET A 1 2.690 4.427 -2.937 1.00 0.00 C ATOM 0 H1 MET A 1 0.174 0.530 -0.898 1.00 0.00 H new ATOM 0 H2 MET A 1 0.366 -0.999 -0.183 1.00 0.00 H new ATOM 0 H3 MET A 1 1.479 0.240 0.150 1.00 0.00 H new ATOM 0 HA MET A 1 1.306 -1.570 -2.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.282 0.134 -3.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.577 0.344 -3.292 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.937 2.251 -1.970 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.614 1.849 -1.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.016 5.181 -3.653 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.788 4.772 -2.432 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.477 4.261 -2.201 1.00 0.00 H new ATOM 18 N ALA A 2 3.943 -1.337 -2.195 1.00 0.00 N ATOM 19 CA ALA A 2 5.359 -1.550 -1.925 1.00 0.00 C ATOM 20 C ALA A 2 6.230 -0.781 -2.912 1.00 0.00 C ATOM 21 O ALA A 2 6.097 -0.939 -4.127 1.00 0.00 O ATOM 22 CB ALA A 2 5.688 -3.035 -1.975 1.00 0.00 C ATOM 0 H ALA A 2 3.636 -1.656 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 2 5.572 -1.174 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.749 -3.180 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.099 -3.564 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.452 -3.427 -2.964 1.00 0.00 H new ATOM 28 N LEU A 3 7.120 0.053 -2.385 1.00 0.00 N ATOM 29 CA LEU A 3 8.012 0.848 -3.221 1.00 0.00 C ATOM 30 C LEU A 3 9.402 0.223 -3.282 1.00 0.00 C ATOM 31 O LEU A 3 9.896 -0.348 -2.310 1.00 0.00 O ATOM 32 CB LEU A 3 8.106 2.277 -2.684 1.00 0.00 C ATOM 33 CG LEU A 3 6.799 2.896 -2.189 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.554 2.532 -0.733 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.823 4.407 -2.366 1.00 0.00 C ATOM 0 H LEU A 3 7.243 0.196 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 3 7.600 0.872 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.824 2.289 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.511 2.913 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 3 5.980 2.494 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.619 2.981 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.491 1.448 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.376 2.905 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.884 4.830 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.651 4.827 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.951 4.648 -3.421 1.00 0.00 H new ATOM 47 N PRO A 4 10.050 0.334 -4.452 1.00 0.00 N ATOM 48 CA PRO A 4 11.393 -0.211 -4.667 1.00 0.00 C ATOM 49 C PRO A 4 12.461 0.552 -3.891 1.00 0.00 C ATOM 50 O PRO A 4 13.029 1.523 -4.390 1.00 0.00 O ATOM 51 CB PRO A 4 11.606 -0.045 -6.174 1.00 0.00 C ATOM 52 CG PRO A 4 10.718 1.087 -6.559 1.00 0.00 C ATOM 53 CD PRO A 4 9.521 1.002 -5.653 1.00 0.00 C ATOM 0 HA PRO A 4 11.474 -1.242 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.649 0.173 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.344 -0.955 -6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.230 2.042 -6.441 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.422 1.012 -7.605 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.122 1.989 -5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.712 0.430 -6.108 1.00 0.00 H new ATOM 61 N MET A 5 12.728 0.107 -2.668 1.00 0.00 N ATOM 62 CA MET A 5 13.730 0.749 -1.823 1.00 0.00 C ATOM 63 C MET A 5 14.627 -0.290 -1.159 1.00 0.00 C ATOM 64 O MET A 5 14.339 -1.487 -1.195 1.00 0.00 O ATOM 65 CB MET A 5 13.052 1.611 -0.757 1.00 0.00 C ATOM 66 CG MET A 5 11.679 2.118 -1.168 1.00 0.00 C ATOM 67 SD MET A 5 10.959 3.237 0.049 1.00 0.00 S ATOM 68 CE MET A 5 10.057 4.361 -1.015 1.00 0.00 C ATOM 0 H MET A 5 12.265 -0.695 -2.239 1.00 0.00 H new ATOM 0 HA MET A 5 14.349 1.386 -2.455 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.956 1.031 0.161 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.692 2.464 -0.530 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.757 2.631 -2.126 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.011 1.269 -1.315 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.383 5.383 -0.824 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.249 4.108 -2.058 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.989 4.277 -0.812 1.00 0.00 H new ATOM 78 N ILE A 6 15.715 0.174 -0.554 1.00 0.00 N ATOM 79 CA ILE A 6 16.654 -0.715 0.118 1.00 0.00 C ATOM 80 C ILE A 6 16.573 -0.557 1.633 1.00 0.00 C ATOM 81 O ILE A 6 16.565 0.560 2.151 1.00 0.00 O ATOM 82 CB ILE A 6 18.101 -0.455 -0.337 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.183 -0.435 -1.865 1.00 0.00 C ATOM 84 CG2 ILE A 6 19.035 -1.511 0.235 1.00 0.00 C ATOM 85 CD1 ILE A 6 17.755 -1.735 -2.509 1.00 0.00 C ATOM 0 H ILE A 6 15.968 1.161 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 6 16.374 -1.733 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 6 18.414 0.520 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.557 0.373 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 6 19.207 -0.211 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.054 -1.313 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.995 -1.481 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.726 -2.497 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.838 -1.649 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.397 -2.543 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 6 16.721 -1.951 -2.241 1.00 0.00 H new ATOM 97 N VAL A 7 16.514 -1.682 2.338 1.00 0.00 N ATOM 98 CA VAL A 7 16.437 -1.669 3.794 1.00 0.00 C ATOM 99 C VAL A 7 17.778 -2.038 4.419 1.00 0.00 C ATOM 100 O VAL A 7 18.397 -3.033 4.043 1.00 0.00 O ATOM 101 CB VAL A 7 15.358 -2.641 4.308 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.555 -4.024 3.706 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.379 -2.704 5.828 1.00 0.00 C ATOM 0 H VAL A 7 16.518 -2.614 1.924 1.00 0.00 H new ATOM 0 HA VAL A 7 16.170 -0.654 4.088 1.00 0.00 H new ATOM 0 HB VAL A 7 14.381 -2.271 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.784 -4.697 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.486 -3.961 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.537 -4.406 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.611 -3.395 6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.356 -3.050 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.185 -1.712 6.236 1.00 0.00 H new ATOM 113 N LYS A 8 18.221 -1.230 5.376 1.00 0.00 N ATOM 114 CA LYS A 8 19.488 -1.472 6.056 1.00 0.00 C ATOM 115 C LYS A 8 19.303 -1.460 7.570 1.00 0.00 C ATOM 116 O LYS A 8 19.902 -0.645 8.272 1.00 0.00 O ATOM 117 CB LYS A 8 20.518 -0.416 5.649 1.00 0.00 C ATOM 118 CG LYS A 8 20.559 -0.151 4.154 1.00 0.00 C ATOM 119 CD LYS A 8 21.656 0.836 3.793 1.00 0.00 C ATOM 120 CE LYS A 8 22.960 0.125 3.467 1.00 0.00 C ATOM 121 NZ LYS A 8 23.924 1.025 2.774 1.00 0.00 N ATOM 0 H LYS A 8 17.721 -0.401 5.698 1.00 0.00 H new ATOM 0 HA LYS A 8 19.849 -2.457 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.295 0.516 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.506 -0.737 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.722 -1.088 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.595 0.239 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.342 1.433 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.814 1.526 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.409 -0.249 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.754 -0.741 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.800 0.503 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.505 1.362 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.140 1.838 3.385 1.00 0.00 H new ATOM 135 N TRP A 9 18.473 -2.370 8.067 1.00 0.00 N ATOM 136 CA TRP A 9 18.211 -2.464 9.499 1.00 0.00 C ATOM 137 C TRP A 9 19.501 -2.716 10.273 1.00 0.00 C ATOM 138 O TRP A 9 20.419 -3.364 9.773 1.00 0.00 O ATOM 139 CB TRP A 9 17.206 -3.582 9.782 1.00 0.00 C ATOM 140 CG TRP A 9 16.832 -3.692 11.229 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.472 -2.672 12.063 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.784 -4.889 12.013 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.202 -3.162 13.317 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.385 -4.520 13.313 1.00 0.00 C ATOM 145 CE3 TRP A 9 17.036 -6.237 11.744 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.236 -5.450 14.338 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.887 -7.159 12.762 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.489 -6.763 14.046 1.00 0.00 C ATOM 0 H TRP A 9 17.970 -3.053 7.500 1.00 0.00 H new ATOM 0 HA TRP A 9 17.790 -1.514 9.829 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.305 -3.409 9.193 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.626 -4.531 9.449 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.409 -1.632 11.778 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.912 -2.605 14.121 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.342 -6.553 10.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.932 -5.146 15.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 17.081 -8.203 12.565 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.380 -7.508 14.820 1.00 0.00 H new ATOM 159 N GLY A 10 19.563 -2.198 11.496 1.00 0.00 N ATOM 160 CA GLY A 10 20.745 -2.378 12.318 1.00 0.00 C ATOM 161 C GLY A 10 21.163 -3.831 12.422 1.00 0.00 C ATOM 162 O GLY A 10 22.336 -4.133 12.637 1.00 0.00 O ATOM 0 H GLY A 10 18.816 -1.657 11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.566 -1.796 11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.552 -1.986 13.317 1.00 0.00 H new ATOM 166 N GLY A 11 20.200 -4.735 12.270 1.00 0.00 N ATOM 167 CA GLY A 11 20.494 -6.154 12.353 1.00 0.00 C ATOM 168 C GLY A 11 20.803 -6.762 11.000 1.00 0.00 C ATOM 169 O GLY A 11 21.822 -7.432 10.832 1.00 0.00 O ATOM 0 H GLY A 11 19.221 -4.510 12.091 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.343 -6.308 13.019 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.644 -6.673 12.795 1.00 0.00 H new ATOM 173 N GLN A 12 19.921 -6.530 10.033 1.00 0.00 N ATOM 174 CA GLN A 12 20.105 -7.063 8.688 1.00 0.00 C ATOM 175 C GLN A 12 19.915 -5.972 7.640 1.00 0.00 C ATOM 176 O GLN A 12 19.214 -4.988 7.875 1.00 0.00 O ATOM 177 CB GLN A 12 19.124 -8.209 8.432 1.00 0.00 C ATOM 178 CG GLN A 12 19.023 -9.192 9.587 1.00 0.00 C ATOM 179 CD GLN A 12 20.372 -9.746 10.002 1.00 0.00 C ATOM 180 OE1 GLN A 12 21.211 -10.065 9.159 1.00 0.00 O ATOM 181 NE2 GLN A 12 20.588 -9.863 11.307 1.00 0.00 N ATOM 0 H GLN A 12 19.073 -5.977 10.156 1.00 0.00 H new ATOM 0 HA GLN A 12 21.124 -7.442 8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.136 -7.793 8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 12 19.431 -8.746 7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.560 -8.697 10.441 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.368 -10.016 9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 12 19.864 -9.586 11.971 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.478 -10.229 11.646 1.00 0.00 H new ATOM 190 N GLU A 13 20.543 -6.153 6.483 1.00 0.00 N ATOM 191 CA GLU A 13 20.444 -5.183 5.399 1.00 0.00 C ATOM 192 C GLU A 13 19.965 -5.850 4.113 1.00 0.00 C ATOM 193 O GLU A 13 20.766 -6.371 3.336 1.00 0.00 O ATOM 194 CB GLU A 13 21.796 -4.507 5.164 1.00 0.00 C ATOM 195 CG GLU A 13 21.828 -3.623 3.928 1.00 0.00 C ATOM 196 CD GLU A 13 22.579 -4.259 2.775 1.00 0.00 C ATOM 197 OE1 GLU A 13 23.609 -4.919 3.030 1.00 0.00 O ATOM 198 OE2 GLU A 13 22.139 -4.098 1.618 1.00 0.00 O ATOM 0 H GLU A 13 21.126 -6.963 6.272 1.00 0.00 H new ATOM 0 HA GLU A 13 19.714 -4.427 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.049 -3.905 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.565 -5.274 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.807 -3.405 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 13 22.295 -2.670 4.179 1.00 0.00 H new ATOM 205 N TYR A 14 18.655 -5.830 3.895 1.00 0.00 N ATOM 206 CA TYR A 14 18.069 -6.436 2.706 1.00 0.00 C ATOM 207 C TYR A 14 17.730 -5.373 1.664 1.00 0.00 C ATOM 208 O TYR A 14 18.143 -4.220 1.781 1.00 0.00 O ATOM 209 CB TYR A 14 16.810 -7.222 3.076 1.00 0.00 C ATOM 210 CG TYR A 14 16.823 -8.652 2.584 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.746 -9.568 3.074 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.913 -9.087 1.628 1.00 0.00 C ATOM 213 CE1 TYR A 14 17.762 -10.875 2.627 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.921 -10.392 1.176 1.00 0.00 C ATOM 215 CZ TYR A 14 16.847 -11.282 1.679 1.00 0.00 C ATOM 216 OH TYR A 14 16.859 -12.583 1.230 1.00 0.00 O ATOM 0 H TYR A 14 17.979 -5.401 4.526 1.00 0.00 H new ATOM 0 HA TYR A 14 18.803 -7.119 2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.696 -7.221 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.939 -6.712 2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.463 -9.253 3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.187 -8.393 1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.487 -11.574 3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.206 -10.714 0.433 1.00 0.00 H new ATOM 0 HH TYR A 14 16.150 -12.706 0.565 1.00 0.00 H new ATOM 226 N SER A 15 16.976 -5.772 0.645 1.00 0.00 N ATOM 227 CA SER A 15 16.583 -4.857 -0.420 1.00 0.00 C ATOM 228 C SER A 15 15.160 -5.146 -0.888 1.00 0.00 C ATOM 229 O SER A 15 14.916 -6.114 -1.608 1.00 0.00 O ATOM 230 CB SER A 15 17.552 -4.967 -1.598 1.00 0.00 C ATOM 231 OG SER A 15 17.628 -6.300 -2.073 1.00 0.00 O ATOM 0 H SER A 15 16.625 -6.723 0.534 1.00 0.00 H new ATOM 0 HA SER A 15 16.617 -3.842 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.226 -4.309 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.542 -4.630 -1.291 1.00 0.00 H new ATOM 0 HG SER A 15 16.732 -6.697 -2.077 1.00 0.00 H new ATOM 237 N VAL A 16 14.224 -4.299 -0.473 1.00 0.00 N ATOM 238 CA VAL A 16 12.825 -4.461 -0.849 1.00 0.00 C ATOM 239 C VAL A 16 12.531 -3.779 -2.181 1.00 0.00 C ATOM 240 O VAL A 16 11.618 -2.959 -2.284 1.00 0.00 O ATOM 241 CB VAL A 16 11.884 -3.888 0.227 1.00 0.00 C ATOM 242 CG1 VAL A 16 11.944 -4.730 1.492 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.235 -2.438 0.524 1.00 0.00 C ATOM 0 H VAL A 16 14.409 -3.493 0.124 1.00 0.00 H new ATOM 0 HA VAL A 16 12.646 -5.532 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 16 10.863 -3.920 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.273 -4.310 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.640 -5.751 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.963 -4.733 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.560 -2.049 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 16 13.262 -2.379 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.135 -1.846 -0.386 1.00 0.00 H new ATOM 253 N THR A 17 13.312 -4.122 -3.201 1.00 0.00 N ATOM 254 CA THR A 17 13.137 -3.543 -4.526 1.00 0.00 C ATOM 255 C THR A 17 11.923 -4.138 -5.230 1.00 0.00 C ATOM 256 O THR A 17 11.343 -5.121 -4.767 1.00 0.00 O ATOM 257 CB THR A 17 14.384 -3.762 -5.404 1.00 0.00 C ATOM 258 OG1 THR A 17 14.201 -3.136 -6.679 1.00 0.00 O ATOM 259 CG2 THR A 17 14.655 -5.246 -5.597 1.00 0.00 C ATOM 0 H THR A 17 14.072 -4.799 -3.134 1.00 0.00 H new ATOM 0 HA THR A 17 12.984 -2.473 -4.386 1.00 0.00 H new ATOM 0 HB THR A 17 15.240 -3.315 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.998 -3.278 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.540 -5.376 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.822 -5.715 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.798 -5.712 -6.082 1.00 0.00 H new ATOM 267 N THR A 18 11.542 -3.537 -6.353 1.00 0.00 N ATOM 268 CA THR A 18 10.396 -4.006 -7.121 1.00 0.00 C ATOM 269 C THR A 18 10.774 -5.190 -8.005 1.00 0.00 C ATOM 270 O THR A 18 9.916 -5.797 -8.647 1.00 0.00 O ATOM 271 CB THR A 18 9.813 -2.886 -8.004 1.00 0.00 C ATOM 272 OG1 THR A 18 10.874 -2.146 -8.618 1.00 0.00 O ATOM 273 CG2 THR A 18 8.942 -1.948 -7.182 1.00 0.00 C ATOM 0 H THR A 18 12.011 -2.723 -6.751 1.00 0.00 H new ATOM 0 HA THR A 18 9.641 -4.320 -6.401 1.00 0.00 H new ATOM 0 HB THR A 18 9.196 -3.345 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.538 -1.272 -8.907 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.541 -1.165 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.120 -2.510 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.540 -1.496 -6.391 1.00 0.00 H new ATOM 281 N LEU A 19 12.062 -5.513 -8.033 1.00 0.00 N ATOM 282 CA LEU A 19 12.554 -6.626 -8.838 1.00 0.00 C ATOM 283 C LEU A 19 12.397 -6.332 -10.326 1.00 0.00 C ATOM 284 O LEU A 19 12.022 -5.226 -10.715 1.00 0.00 O ATOM 285 CB LEU A 19 11.806 -7.911 -8.478 1.00 0.00 C ATOM 286 CG LEU A 19 11.402 -8.065 -7.012 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.813 -9.445 -6.762 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.596 -7.819 -6.101 1.00 0.00 C ATOM 0 H LEU A 19 12.785 -5.020 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 19 13.614 -6.758 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.906 -7.967 -9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.431 -8.761 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 19 10.638 -7.321 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.531 -9.536 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.931 -9.583 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.554 -10.206 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.290 -7.933 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.382 -8.539 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.973 -6.809 -6.260 1.00 0.00 H new ATOM 300 N SER A 20 12.684 -7.331 -11.155 1.00 0.00 N ATOM 301 CA SER A 20 12.577 -7.179 -12.601 1.00 0.00 C ATOM 302 C SER A 20 11.115 -7.120 -13.034 1.00 0.00 C ATOM 303 O SER A 20 10.225 -7.571 -12.313 1.00 0.00 O ATOM 304 CB SER A 20 13.284 -8.335 -13.311 1.00 0.00 C ATOM 305 OG SER A 20 12.486 -9.506 -13.299 1.00 0.00 O ATOM 0 H SER A 20 12.992 -8.254 -10.850 1.00 0.00 H new ATOM 0 HA SER A 20 13.059 -6.242 -12.879 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.505 -8.053 -14.340 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.238 -8.536 -12.823 1.00 0.00 H new ATOM 0 HG SER A 20 12.960 -10.229 -13.760 1.00 0.00 H new ATOM 311 N GLU A 21 10.876 -6.562 -14.216 1.00 0.00 N ATOM 312 CA GLU A 21 9.523 -6.443 -14.745 1.00 0.00 C ATOM 313 C GLU A 21 8.829 -7.802 -14.775 1.00 0.00 C ATOM 314 O GLU A 21 7.650 -7.916 -14.440 1.00 0.00 O ATOM 315 CB GLU A 21 9.552 -5.842 -16.152 1.00 0.00 C ATOM 316 CG GLU A 21 10.384 -6.643 -17.139 1.00 0.00 C ATOM 317 CD GLU A 21 10.517 -5.955 -18.484 1.00 0.00 C ATOM 318 OE1 GLU A 21 10.488 -4.707 -18.518 1.00 0.00 O ATOM 319 OE2 GLU A 21 10.650 -6.665 -19.502 1.00 0.00 O ATOM 0 H GLU A 21 11.602 -6.185 -14.826 1.00 0.00 H new ATOM 0 HA GLU A 21 8.960 -5.781 -14.087 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.531 -5.767 -16.527 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.947 -4.827 -16.097 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.377 -6.809 -16.721 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.929 -7.623 -17.280 1.00 0.00 H new ATOM 326 N ASP A 22 9.569 -8.829 -15.179 1.00 0.00 N ATOM 327 CA ASP A 22 9.027 -10.180 -15.252 1.00 0.00 C ATOM 328 C ASP A 22 8.581 -10.662 -13.876 1.00 0.00 C ATOM 329 O ASP A 22 7.630 -11.435 -13.756 1.00 0.00 O ATOM 330 CB ASP A 22 10.068 -11.140 -15.830 1.00 0.00 C ATOM 331 CG ASP A 22 10.581 -10.692 -17.184 1.00 0.00 C ATOM 332 OD1 ASP A 22 9.823 -10.015 -17.910 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.739 -11.019 -17.519 1.00 0.00 O ATOM 0 H ASP A 22 10.546 -8.751 -15.461 1.00 0.00 H new ATOM 0 HA ASP A 22 8.158 -10.161 -15.909 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.905 -11.223 -15.137 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.630 -12.134 -15.922 1.00 0.00 H new ATOM 338 N ASP A 23 9.274 -10.202 -12.840 1.00 0.00 N ATOM 339 CA ASP A 23 8.949 -10.587 -11.471 1.00 0.00 C ATOM 340 C ASP A 23 7.875 -9.672 -10.890 1.00 0.00 C ATOM 341 O ASP A 23 7.326 -8.819 -11.588 1.00 0.00 O ATOM 342 CB ASP A 23 10.202 -10.542 -10.596 1.00 0.00 C ATOM 343 CG ASP A 23 11.245 -11.555 -11.026 1.00 0.00 C ATOM 344 OD1 ASP A 23 10.864 -12.578 -11.632 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.443 -11.325 -10.757 1.00 0.00 O ATOM 0 H ASP A 23 10.064 -9.562 -12.922 1.00 0.00 H new ATOM 0 HA ASP A 23 8.563 -11.606 -11.488 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.633 -9.542 -10.635 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.924 -10.729 -9.559 1.00 0.00 H new ATOM 350 N THR A 24 7.579 -9.856 -9.607 1.00 0.00 N ATOM 351 CA THR A 24 6.570 -9.050 -8.933 1.00 0.00 C ATOM 352 C THR A 24 6.884 -8.905 -7.448 1.00 0.00 C ATOM 353 O THR A 24 7.838 -9.497 -6.944 1.00 0.00 O ATOM 354 CB THR A 24 5.164 -9.661 -9.092 1.00 0.00 C ATOM 355 OG1 THR A 24 5.262 -11.081 -9.240 1.00 0.00 O ATOM 356 CG2 THR A 24 4.449 -9.068 -10.296 1.00 0.00 C ATOM 0 H THR A 24 8.024 -10.557 -9.014 1.00 0.00 H new ATOM 0 HA THR A 24 6.586 -8.066 -9.403 1.00 0.00 H new ATOM 0 HB THR A 24 4.587 -9.428 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.617 -11.385 -9.913 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.459 -9.515 -10.388 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.350 -7.990 -10.166 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.025 -9.273 -11.199 1.00 0.00 H new ATOM 364 N VAL A 25 6.074 -8.113 -6.751 1.00 0.00 N ATOM 365 CA VAL A 25 6.265 -7.892 -5.323 1.00 0.00 C ATOM 366 C VAL A 25 5.958 -9.155 -4.526 1.00 0.00 C ATOM 367 O VAL A 25 6.481 -9.352 -3.428 1.00 0.00 O ATOM 368 CB VAL A 25 5.375 -6.745 -4.809 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.440 -6.657 -3.292 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.786 -5.426 -5.446 1.00 0.00 C ATOM 0 H VAL A 25 5.280 -7.614 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 25 7.311 -7.622 -5.181 1.00 0.00 H new ATOM 0 HB VAL A 25 4.343 -6.954 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.805 -5.841 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.093 -7.595 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.469 -6.472 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.147 -4.626 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.824 -5.208 -5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.682 -5.497 -6.529 1.00 0.00 H new ATOM 380 N LEU A 26 5.107 -10.009 -5.084 1.00 0.00 N ATOM 381 CA LEU A 26 4.730 -11.255 -4.426 1.00 0.00 C ATOM 382 C LEU A 26 5.959 -12.113 -4.141 1.00 0.00 C ATOM 383 O LEU A 26 6.058 -12.742 -3.087 1.00 0.00 O ATOM 384 CB LEU A 26 3.740 -12.034 -5.294 1.00 0.00 C ATOM 385 CG LEU A 26 4.273 -12.532 -6.638 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.822 -13.944 -6.504 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.181 -12.480 -7.696 1.00 0.00 C ATOM 0 H LEU A 26 4.665 -9.861 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 26 4.254 -11.007 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.387 -12.894 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.874 -11.399 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 26 5.086 -11.877 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.197 -14.282 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.634 -13.951 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.029 -14.612 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.578 -12.838 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.347 -13.112 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.835 -11.453 -7.811 1.00 0.00 H new ATOM 399 N ASP A 27 6.893 -12.132 -5.085 1.00 0.00 N ATOM 400 CA ASP A 27 8.117 -12.910 -4.934 1.00 0.00 C ATOM 401 C ASP A 27 8.918 -12.433 -3.727 1.00 0.00 C ATOM 402 O ASP A 27 9.271 -13.224 -2.850 1.00 0.00 O ATOM 403 CB ASP A 27 8.969 -12.811 -6.200 1.00 0.00 C ATOM 404 CG ASP A 27 8.658 -13.910 -7.196 1.00 0.00 C ATOM 405 OD1 ASP A 27 8.704 -15.096 -6.805 1.00 0.00 O ATOM 406 OD2 ASP A 27 8.367 -13.586 -8.366 1.00 0.00 O ATOM 0 H ASP A 27 6.826 -11.617 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 27 7.839 -13.952 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.804 -11.842 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.024 -12.858 -5.929 1.00 0.00 H new ATOM 411 N LEU A 28 9.204 -11.137 -3.688 1.00 0.00 N ATOM 412 CA LEU A 28 9.966 -10.554 -2.589 1.00 0.00 C ATOM 413 C LEU A 28 9.181 -10.628 -1.283 1.00 0.00 C ATOM 414 O LEU A 28 9.761 -10.654 -0.198 1.00 0.00 O ATOM 415 CB LEU A 28 10.319 -9.099 -2.902 1.00 0.00 C ATOM 416 CG LEU A 28 9.343 -8.044 -2.381 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.736 -7.598 -0.981 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.290 -6.853 -3.327 1.00 0.00 C ATOM 0 H LEU A 28 8.920 -10.469 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 28 10.885 -11.128 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.305 -8.888 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.397 -8.990 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 28 8.349 -8.489 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.030 -6.847 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.721 -8.456 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.739 -7.171 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.590 -6.112 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.282 -6.408 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.960 -7.185 -4.311 1.00 0.00 H new ATOM 430 N LYS A 29 7.858 -10.665 -1.396 1.00 0.00 N ATOM 431 CA LYS A 29 6.991 -10.740 -0.225 1.00 0.00 C ATOM 432 C LYS A 29 7.256 -12.017 0.566 1.00 0.00 C ATOM 433 O LYS A 29 7.403 -11.981 1.788 1.00 0.00 O ATOM 434 CB LYS A 29 5.522 -10.686 -0.648 1.00 0.00 C ATOM 435 CG LYS A 29 4.551 -10.722 0.519 1.00 0.00 C ATOM 436 CD LYS A 29 4.196 -9.323 0.993 1.00 0.00 C ATOM 437 CE LYS A 29 2.943 -8.802 0.307 1.00 0.00 C ATOM 438 NZ LYS A 29 3.250 -8.175 -1.008 1.00 0.00 N ATOM 0 H LYS A 29 7.362 -10.644 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 29 7.210 -9.885 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.352 -9.776 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.312 -11.526 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.643 -11.248 0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.991 -11.285 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.044 -9.331 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.028 -8.648 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.240 -9.623 0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.453 -8.072 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.446 -7.588 -1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.099 -7.581 -0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.420 -8.918 -1.716 1.00 0.00 H new ATOM 452 N GLN A 30 7.318 -13.142 -0.138 1.00 0.00 N ATOM 453 CA GLN A 30 7.566 -14.430 0.500 1.00 0.00 C ATOM 454 C GLN A 30 9.024 -14.552 0.931 1.00 0.00 C ATOM 455 O GLN A 30 9.339 -15.229 1.910 1.00 0.00 O ATOM 456 CB GLN A 30 7.205 -15.572 -0.450 1.00 0.00 C ATOM 457 CG GLN A 30 8.363 -16.024 -1.326 1.00 0.00 C ATOM 458 CD GLN A 30 7.965 -17.111 -2.305 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.812 -17.188 -2.730 1.00 0.00 O ATOM 460 NE2 GLN A 30 8.920 -17.959 -2.668 1.00 0.00 N ATOM 0 H GLN A 30 7.200 -13.188 -1.150 1.00 0.00 H new ATOM 0 HA GLN A 30 6.937 -14.494 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.849 -16.421 0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.380 -15.256 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.752 -15.168 -1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.172 -16.389 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.862 -17.858 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.711 -18.712 -3.324 1.00 0.00 H new ATOM 469 N PHE A 31 9.911 -13.892 0.192 1.00 0.00 N ATOM 470 CA PHE A 31 11.337 -13.928 0.497 1.00 0.00 C ATOM 471 C PHE A 31 11.626 -13.243 1.829 1.00 0.00 C ATOM 472 O PHE A 31 12.467 -13.698 2.605 1.00 0.00 O ATOM 473 CB PHE A 31 12.135 -13.252 -0.620 1.00 0.00 C ATOM 474 CG PHE A 31 12.739 -14.222 -1.596 1.00 0.00 C ATOM 475 CD1 PHE A 31 11.941 -15.132 -2.272 1.00 0.00 C ATOM 476 CD2 PHE A 31 14.103 -14.223 -1.838 1.00 0.00 C ATOM 477 CE1 PHE A 31 12.494 -16.025 -3.170 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.661 -15.114 -2.735 1.00 0.00 C ATOM 479 CZ PHE A 31 13.856 -16.016 -3.402 1.00 0.00 C ATOM 0 H PHE A 31 9.667 -13.327 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 31 11.641 -14.972 0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.481 -12.566 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.930 -12.653 -0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.876 -15.143 -2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.738 -13.519 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.862 -16.730 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.726 -15.105 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.290 -16.713 -4.104 1.00 0.00 H new ATOM 489 N LEU A 32 10.923 -12.145 2.088 1.00 0.00 N ATOM 490 CA LEU A 32 11.103 -11.396 3.327 1.00 0.00 C ATOM 491 C LEU A 32 10.397 -12.086 4.489 1.00 0.00 C ATOM 492 O LEU A 32 10.841 -12.008 5.635 1.00 0.00 O ATOM 493 CB LEU A 32 10.571 -9.971 3.165 1.00 0.00 C ATOM 494 CG LEU A 32 11.305 -9.090 2.154 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.801 -7.657 2.229 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.807 -9.142 2.394 1.00 0.00 C ATOM 0 H LEU A 32 10.224 -11.754 1.457 1.00 0.00 H new ATOM 0 HA LEU A 32 12.170 -11.357 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.522 -10.027 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.605 -9.479 4.137 1.00 0.00 H new ATOM 0 HG LEU A 32 11.103 -9.472 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.335 -7.045 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.734 -7.635 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.972 -7.263 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.314 -8.509 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.027 -8.785 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.157 -10.169 2.288 1.00 0.00 H new ATOM 508 N LYS A 33 9.296 -12.765 4.186 1.00 0.00 N ATOM 509 CA LYS A 33 8.529 -13.474 5.204 1.00 0.00 C ATOM 510 C LYS A 33 9.285 -14.703 5.697 1.00 0.00 C ATOM 511 O LYS A 33 9.193 -15.074 6.868 1.00 0.00 O ATOM 512 CB LYS A 33 7.166 -13.890 4.647 1.00 0.00 C ATOM 513 CG LYS A 33 6.568 -15.100 5.344 1.00 0.00 C ATOM 514 CD LYS A 33 6.938 -16.391 4.634 1.00 0.00 C ATOM 515 CE LYS A 33 5.785 -17.384 4.646 1.00 0.00 C ATOM 516 NZ LYS A 33 6.094 -18.602 3.848 1.00 0.00 N ATOM 0 H LYS A 33 8.914 -12.839 3.243 1.00 0.00 H new ATOM 0 HA LYS A 33 8.380 -12.799 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.475 -13.052 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.268 -14.107 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.919 -15.137 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.483 -15.001 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.221 -16.173 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.808 -16.836 5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.563 -17.670 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.890 -16.906 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.284 -19.253 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.281 -18.332 2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.933 -19.072 4.243 1.00 0.00 H new ATOM 530 N THR A 34 10.035 -15.332 4.798 1.00 0.00 N ATOM 531 CA THR A 34 10.807 -16.519 5.142 1.00 0.00 C ATOM 532 C THR A 34 12.198 -16.144 5.641 1.00 0.00 C ATOM 533 O THR A 34 12.812 -16.883 6.412 1.00 0.00 O ATOM 534 CB THR A 34 10.945 -17.468 3.936 1.00 0.00 C ATOM 535 OG1 THR A 34 11.506 -18.717 4.358 1.00 0.00 O ATOM 536 CG2 THR A 34 11.823 -16.850 2.858 1.00 0.00 C ATOM 0 H THR A 34 10.124 -15.039 3.825 1.00 0.00 H new ATOM 0 HA THR A 34 10.264 -17.030 5.937 1.00 0.00 H new ATOM 0 HB THR A 34 9.952 -17.638 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.589 -19.316 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.906 -17.538 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.378 -15.914 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.815 -16.654 3.265 1.00 0.00 H new ATOM 544 N LEU A 35 12.691 -14.993 5.196 1.00 0.00 N ATOM 545 CA LEU A 35 14.010 -14.520 5.599 1.00 0.00 C ATOM 546 C LEU A 35 13.945 -13.802 6.943 1.00 0.00 C ATOM 547 O LEU A 35 14.761 -14.048 7.832 1.00 0.00 O ATOM 548 CB LEU A 35 14.584 -13.582 4.535 1.00 0.00 C ATOM 549 CG LEU A 35 15.954 -12.977 4.842 1.00 0.00 C ATOM 550 CD1 LEU A 35 15.806 -11.726 5.694 1.00 0.00 C ATOM 551 CD2 LEU A 35 16.844 -13.996 5.538 1.00 0.00 C ATOM 0 H LEU A 35 12.197 -14.371 4.556 1.00 0.00 H new ATOM 0 HA LEU A 35 14.663 -15.387 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.654 -14.130 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.877 -12.768 4.377 1.00 0.00 H new ATOM 0 HG LEU A 35 16.425 -12.697 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.791 -11.309 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.206 -10.990 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.314 -11.981 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.815 -13.547 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.378 -14.308 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.978 -14.864 4.892 1.00 0.00 H new ATOM 563 N THR A 36 12.966 -12.913 7.087 1.00 0.00 N ATOM 564 CA THR A 36 12.792 -12.160 8.323 1.00 0.00 C ATOM 565 C THR A 36 11.811 -12.858 9.258 1.00 0.00 C ATOM 566 O THR A 36 12.029 -12.919 10.467 1.00 0.00 O ATOM 567 CB THR A 36 12.291 -10.731 8.044 1.00 0.00 C ATOM 568 OG1 THR A 36 10.870 -10.737 7.866 1.00 0.00 O ATOM 569 CG2 THR A 36 12.960 -10.155 6.805 1.00 0.00 C ATOM 0 H THR A 36 12.282 -12.697 6.362 1.00 0.00 H new ATOM 0 HA THR A 36 13.770 -12.107 8.802 1.00 0.00 H new ATOM 0 HB THR A 36 12.547 -10.106 8.899 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.631 -11.378 7.164 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.590 -9.145 6.628 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.039 -10.125 6.955 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.731 -10.782 5.943 1.00 0.00 H new ATOM 577 N GLY A 37 10.730 -13.383 8.690 1.00 0.00 N ATOM 578 CA GLY A 37 9.732 -14.070 9.489 1.00 0.00 C ATOM 579 C GLY A 37 9.223 -13.221 10.636 1.00 0.00 C ATOM 580 O GLY A 37 8.724 -13.745 11.632 1.00 0.00 O ATOM 0 H GLY A 37 10.527 -13.345 7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.894 -14.355 8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.159 -14.991 9.885 1.00 0.00 H new ATOM 584 N VAL A 38 9.351 -11.905 10.499 1.00 0.00 N ATOM 585 CA VAL A 38 8.900 -10.981 11.533 1.00 0.00 C ATOM 586 C VAL A 38 7.831 -10.035 10.997 1.00 0.00 C ATOM 587 O VAL A 38 7.069 -9.444 11.763 1.00 0.00 O ATOM 588 CB VAL A 38 10.071 -10.151 12.092 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.609 -9.298 13.265 1.00 0.00 C ATOM 590 CG2 VAL A 38 11.219 -11.060 12.504 1.00 0.00 C ATOM 0 H VAL A 38 9.763 -11.455 9.682 1.00 0.00 H new ATOM 0 HA VAL A 38 8.476 -11.585 12.335 1.00 0.00 H new ATOM 0 HB VAL A 38 10.429 -9.485 11.307 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.450 -8.719 13.647 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.822 -8.621 12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.224 -9.943 14.055 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.038 -10.457 12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.877 -11.752 13.273 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.566 -11.623 11.638 1.00 0.00 H new ATOM 600 N LEU A 39 7.781 -9.895 9.677 1.00 0.00 N ATOM 601 CA LEU A 39 6.804 -9.021 9.037 1.00 0.00 C ATOM 602 C LEU A 39 5.388 -9.364 9.487 1.00 0.00 C ATOM 603 O LEU A 39 4.613 -8.499 9.896 1.00 0.00 O ATOM 604 CB LEU A 39 6.909 -9.134 7.515 1.00 0.00 C ATOM 605 CG LEU A 39 8.325 -9.228 6.945 1.00 0.00 C ATOM 606 CD1 LEU A 39 8.296 -9.148 5.427 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.206 -8.130 7.522 1.00 0.00 C ATOM 0 H LEU A 39 8.405 -10.375 9.029 1.00 0.00 H new ATOM 0 HA LEU A 39 7.021 -7.995 9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.352 -10.015 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.417 -8.268 7.072 1.00 0.00 H new ATOM 0 HG LEU A 39 8.747 -10.192 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.313 -9.217 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.700 -9.970 5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.854 -8.200 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.210 -8.212 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.787 -7.156 7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.254 -8.234 8.606 1.00 0.00 H new ATOM 619 N PRO A 40 5.040 -10.658 9.413 1.00 0.00 N ATOM 620 CA PRO A 40 3.717 -11.146 9.811 1.00 0.00 C ATOM 621 C PRO A 40 3.502 -11.073 11.319 1.00 0.00 C ATOM 622 O PRO A 40 2.400 -11.317 11.810 1.00 0.00 O ATOM 623 CB PRO A 40 3.720 -12.603 9.341 1.00 0.00 C ATOM 624 CG PRO A 40 5.159 -12.988 9.311 1.00 0.00 C ATOM 625 CD PRO A 40 5.913 -11.743 8.935 1.00 0.00 C ATOM 0 HA PRO A 40 2.915 -10.547 9.380 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.154 -13.240 10.021 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.263 -12.702 8.356 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.483 -13.362 10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.335 -13.784 8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.894 -11.708 9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.077 -11.682 7.859 1.00 0.00 H new ATOM 633 N GLU A 41 4.561 -10.736 12.048 1.00 0.00 N ATOM 634 CA GLU A 41 4.486 -10.632 13.500 1.00 0.00 C ATOM 635 C GLU A 41 4.403 -9.173 13.938 1.00 0.00 C ATOM 636 O GLU A 41 3.366 -8.717 14.421 1.00 0.00 O ATOM 637 CB GLU A 41 5.702 -11.301 14.145 1.00 0.00 C ATOM 638 CG GLU A 41 5.757 -12.803 13.929 1.00 0.00 C ATOM 639 CD GLU A 41 6.783 -13.483 14.814 1.00 0.00 C ATOM 640 OE1 GLU A 41 7.988 -13.198 14.650 1.00 0.00 O ATOM 641 OE2 GLU A 41 6.383 -14.300 15.669 1.00 0.00 O ATOM 0 H GLU A 41 5.480 -10.530 11.657 1.00 0.00 H new ATOM 0 HA GLU A 41 3.581 -11.144 13.829 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.610 -10.851 13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.693 -11.097 15.216 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.774 -13.231 14.125 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.991 -13.008 12.884 1.00 0.00 H new ATOM 648 N ARG A 42 5.502 -8.446 13.765 1.00 0.00 N ATOM 649 CA ARG A 42 5.555 -7.039 14.143 1.00 0.00 C ATOM 650 C ARG A 42 6.479 -6.260 13.211 1.00 0.00 C ATOM 651 O ARG A 42 7.600 -6.686 12.936 1.00 0.00 O ATOM 652 CB ARG A 42 6.031 -6.894 15.589 1.00 0.00 C ATOM 653 CG ARG A 42 5.297 -7.800 16.565 1.00 0.00 C ATOM 654 CD ARG A 42 5.792 -7.601 17.989 1.00 0.00 C ATOM 655 NE ARG A 42 5.155 -6.457 18.636 1.00 0.00 N ATOM 656 CZ ARG A 42 3.939 -6.498 19.169 1.00 0.00 C ATOM 657 NH1 ARG A 42 3.233 -7.620 19.134 1.00 0.00 N ATOM 658 NH2 ARG A 42 3.427 -5.415 19.740 1.00 0.00 N ATOM 0 H ARG A 42 6.368 -8.808 13.365 1.00 0.00 H new ATOM 0 HA ARG A 42 4.549 -6.628 14.057 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.098 -7.113 15.635 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.904 -5.858 15.902 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.227 -7.596 16.519 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.436 -8.841 16.272 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.595 -8.502 18.570 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.872 -7.457 17.980 1.00 0.00 H new ATOM 0 HE ARG A 42 5.672 -5.579 18.681 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.623 -8.455 18.697 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.300 -7.648 19.544 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.967 -4.550 19.770 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.493 -5.447 20.149 1.00 0.00 H new ATOM 672 N GLN A 43 5.999 -5.117 12.730 1.00 0.00 N ATOM 673 CA GLN A 43 6.782 -4.280 11.829 1.00 0.00 C ATOM 674 C GLN A 43 6.780 -2.828 12.294 1.00 0.00 C ATOM 675 O GLN A 43 5.754 -2.307 12.733 1.00 0.00 O ATOM 676 CB GLN A 43 6.231 -4.373 10.405 1.00 0.00 C ATOM 677 CG GLN A 43 5.638 -5.732 10.069 1.00 0.00 C ATOM 678 CD GLN A 43 4.139 -5.783 10.284 1.00 0.00 C ATOM 679 OE1 GLN A 43 3.665 -6.209 11.339 1.00 0.00 O ATOM 680 NE2 GLN A 43 3.381 -5.349 9.284 1.00 0.00 N ATOM 0 H GLN A 43 5.073 -4.750 12.949 1.00 0.00 H new ATOM 0 HA GLN A 43 7.810 -4.643 11.838 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.466 -3.609 10.270 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.032 -4.151 9.699 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.861 -5.975 9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.116 -6.495 10.684 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.815 -5.004 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.365 -5.360 9.372 1.00 0.00 H new ATOM 689 N LYS A 44 7.934 -2.178 12.197 1.00 0.00 N ATOM 690 CA LYS A 44 8.066 -0.785 12.607 1.00 0.00 C ATOM 691 C LYS A 44 8.888 0.005 11.593 1.00 0.00 C ATOM 692 O LYS A 44 9.916 0.592 11.935 1.00 0.00 O ATOM 693 CB LYS A 44 8.720 -0.698 13.988 1.00 0.00 C ATOM 694 CG LYS A 44 8.053 -1.576 15.033 1.00 0.00 C ATOM 695 CD LYS A 44 8.904 -1.696 16.286 1.00 0.00 C ATOM 696 CE LYS A 44 8.718 -0.497 17.203 1.00 0.00 C ATOM 697 NZ LYS A 44 7.400 -0.528 17.896 1.00 0.00 N ATOM 0 H LYS A 44 8.793 -2.594 11.837 1.00 0.00 H new ATOM 0 HA LYS A 44 7.067 -0.351 12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.769 -0.982 13.903 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.697 0.338 14.327 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.080 -1.160 15.292 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.875 -2.567 14.617 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.640 -2.609 16.820 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.954 -1.783 16.007 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.517 -0.479 17.944 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.801 0.421 16.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.408 0.147 18.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.649 -0.267 17.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.221 -1.486 18.260 1.00 0.00 H new ATOM 711 N LEU A 45 8.429 0.017 10.347 1.00 0.00 N ATOM 712 CA LEU A 45 9.121 0.737 9.283 1.00 0.00 C ATOM 713 C LEU A 45 8.656 2.188 9.216 1.00 0.00 C ATOM 714 O LEU A 45 7.754 2.596 9.948 1.00 0.00 O ATOM 715 CB LEU A 45 8.883 0.050 7.937 1.00 0.00 C ATOM 716 CG LEU A 45 9.006 -1.474 7.931 1.00 0.00 C ATOM 717 CD1 LEU A 45 7.649 -2.120 8.158 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.615 -1.955 6.621 1.00 0.00 C ATOM 0 H LEU A 45 7.580 -0.464 10.048 1.00 0.00 H new ATOM 0 HA LEU A 45 10.188 0.727 9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.885 0.315 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.592 0.455 7.215 1.00 0.00 H new ATOM 0 HG LEU A 45 9.667 -1.769 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.757 -3.205 8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.251 -1.802 9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.965 -1.818 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.695 -3.042 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.980 -1.648 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.607 -1.520 6.499 1.00 0.00 H new ATOM 730 N LEU A 46 9.275 2.961 8.331 1.00 0.00 N ATOM 731 CA LEU A 46 8.923 4.367 8.165 1.00 0.00 C ATOM 732 C LEU A 46 7.640 4.515 7.354 1.00 0.00 C ATOM 733 O LEU A 46 7.082 5.607 7.249 1.00 0.00 O ATOM 734 CB LEU A 46 10.063 5.122 7.480 1.00 0.00 C ATOM 735 CG LEU A 46 10.789 4.370 6.363 1.00 0.00 C ATOM 736 CD1 LEU A 46 9.796 3.848 5.337 1.00 0.00 C ATOM 737 CD2 LEU A 46 11.822 5.269 5.699 1.00 0.00 C ATOM 0 H LEU A 46 10.023 2.638 7.717 1.00 0.00 H new ATOM 0 HA LEU A 46 8.757 4.793 9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.663 6.048 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.795 5.401 8.238 1.00 0.00 H new ATOM 0 HG LEU A 46 11.307 3.518 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.331 3.316 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.095 3.169 5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.249 4.684 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.329 4.718 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.326 6.141 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.553 5.593 6.440 1.00 0.00 H new ATOM 749 N GLY A 47 7.176 3.408 6.782 1.00 0.00 N ATOM 750 CA GLY A 47 5.961 3.436 5.989 1.00 0.00 C ATOM 751 C GLY A 47 5.811 2.207 5.114 1.00 0.00 C ATOM 752 O GLY A 47 4.712 1.670 4.968 1.00 0.00 O ATOM 0 H GLY A 47 7.620 2.492 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.100 3.513 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.961 4.327 5.361 1.00 0.00 H new ATOM 756 N LEU A 48 6.917 1.761 4.530 1.00 0.00 N ATOM 757 CA LEU A 48 6.905 0.587 3.663 1.00 0.00 C ATOM 758 C LEU A 48 6.529 -0.665 4.447 1.00 0.00 C ATOM 759 O LEU A 48 7.043 -0.905 5.540 1.00 0.00 O ATOM 760 CB LEU A 48 8.273 0.400 3.005 1.00 0.00 C ATOM 761 CG LEU A 48 8.380 -0.739 1.991 1.00 0.00 C ATOM 762 CD1 LEU A 48 8.556 -2.072 2.701 1.00 0.00 C ATOM 763 CD2 LEU A 48 7.152 -0.769 1.092 1.00 0.00 C ATOM 0 H LEU A 48 7.834 2.194 4.641 1.00 0.00 H new ATOM 0 HA LEU A 48 6.155 0.746 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.544 1.330 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.011 0.232 3.789 1.00 0.00 H new ATOM 0 HG LEU A 48 9.258 -0.564 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.630 -2.870 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.465 -2.047 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.699 -2.255 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.245 -1.586 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.260 -0.919 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.071 0.176 0.555 1.00 0.00 H new ATOM 775 N LYS A 49 5.630 -1.464 3.882 1.00 0.00 N ATOM 776 CA LYS A 49 5.187 -2.695 4.525 1.00 0.00 C ATOM 777 C LYS A 49 4.497 -2.397 5.852 1.00 0.00 C ATOM 778 O LYS A 49 5.075 -2.591 6.922 1.00 0.00 O ATOM 779 CB LYS A 49 6.376 -3.631 4.755 1.00 0.00 C ATOM 780 CG LYS A 49 6.520 -4.704 3.690 1.00 0.00 C ATOM 781 CD LYS A 49 5.444 -5.768 3.820 1.00 0.00 C ATOM 782 CE LYS A 49 5.147 -6.428 2.482 1.00 0.00 C ATOM 783 NZ LYS A 49 3.990 -5.791 1.794 1.00 0.00 N ATOM 0 H LYS A 49 5.193 -1.280 2.979 1.00 0.00 H new ATOM 0 HA LYS A 49 4.471 -3.183 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.291 -3.040 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.268 -4.109 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.463 -4.247 2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.503 -5.168 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.764 -6.524 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.533 -5.319 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.028 -6.367 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.939 -7.487 2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.820 -6.269 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.143 -5.872 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.198 -4.787 1.623 1.00 0.00 H new ATOM 797 N VAL A 50 3.256 -1.927 5.776 1.00 0.00 N ATOM 798 CA VAL A 50 2.486 -1.605 6.972 1.00 0.00 C ATOM 799 C VAL A 50 1.689 -2.812 7.454 1.00 0.00 C ATOM 800 O VAL A 50 1.580 -3.819 6.753 1.00 0.00 O ATOM 801 CB VAL A 50 1.519 -0.433 6.718 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.291 0.857 6.492 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.613 -0.737 5.534 1.00 0.00 C ATOM 0 H VAL A 50 2.762 -1.761 4.899 1.00 0.00 H new ATOM 0 HA VAL A 50 3.202 -1.316 7.741 1.00 0.00 H new ATOM 0 HB VAL A 50 0.893 -0.303 7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.591 1.673 6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.893 1.080 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.944 0.744 5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.064 0.102 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.220 -0.895 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.033 -1.636 5.741 1.00 0.00 H new ATOM 813 N LYS A 51 1.131 -2.705 8.655 1.00 0.00 N ATOM 814 CA LYS A 51 0.341 -3.786 9.232 1.00 0.00 C ATOM 815 C LYS A 51 -1.151 -3.528 9.048 1.00 0.00 C ATOM 816 O LYS A 51 -1.593 -2.381 9.018 1.00 0.00 O ATOM 817 CB LYS A 51 0.663 -3.942 10.720 1.00 0.00 C ATOM 818 CG LYS A 51 -0.048 -5.113 11.376 1.00 0.00 C ATOM 819 CD LYS A 51 0.311 -5.230 12.848 1.00 0.00 C ATOM 820 CE LYS A 51 -0.315 -4.110 13.665 1.00 0.00 C ATOM 821 NZ LYS A 51 0.154 -4.125 15.078 1.00 0.00 N ATOM 0 H LYS A 51 1.211 -1.879 9.248 1.00 0.00 H new ATOM 0 HA LYS A 51 0.599 -4.709 8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.739 -4.068 10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.390 -3.024 11.241 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.126 -4.990 11.272 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.218 -6.036 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.027 -6.193 13.230 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.395 -5.204 12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.071 -3.149 13.211 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.400 -4.207 13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.295 -3.347 15.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.101 -5.032 15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.187 -4.007 15.102 1.00 0.00 H new ATOM 835 N GLY A 52 -1.922 -4.604 8.926 1.00 0.00 N ATOM 836 CA GLY A 52 -3.357 -4.473 8.748 1.00 0.00 C ATOM 837 C GLY A 52 -3.735 -4.128 7.322 1.00 0.00 C ATOM 838 O GLY A 52 -4.906 -3.898 7.020 1.00 0.00 O ATOM 0 H GLY A 52 -1.579 -5.564 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.842 -5.406 9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.734 -3.700 9.418 1.00 0.00 H new ATOM 842 N LYS A 53 -2.741 -4.089 6.441 1.00 0.00 N ATOM 843 CA LYS A 53 -2.973 -3.769 5.037 1.00 0.00 C ATOM 844 C LYS A 53 -1.670 -3.814 4.246 1.00 0.00 C ATOM 845 O LYS A 53 -1.113 -2.786 3.861 1.00 0.00 O ATOM 846 CB LYS A 53 -3.613 -2.385 4.908 1.00 0.00 C ATOM 847 CG LYS A 53 -2.980 -1.336 5.806 1.00 0.00 C ATOM 848 CD LYS A 53 -3.528 0.051 5.515 1.00 0.00 C ATOM 849 CE LYS A 53 -2.987 1.081 6.496 1.00 0.00 C ATOM 850 NZ LYS A 53 -3.638 2.409 6.321 1.00 0.00 N ATOM 0 H LYS A 53 -1.766 -4.275 6.675 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.652 -4.517 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.540 -2.056 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.674 -2.461 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.165 -1.590 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.899 -1.338 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.264 0.342 4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.617 0.032 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.146 0.730 7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.911 1.183 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.242 3.083 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.465 2.756 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.662 2.317 6.477 1.00 0.00 H new ATOM 864 N PRO A 54 -1.171 -5.034 3.995 1.00 0.00 N ATOM 865 CA PRO A 54 0.071 -5.242 3.245 1.00 0.00 C ATOM 866 C PRO A 54 -0.078 -4.892 1.768 1.00 0.00 C ATOM 867 O PRO A 54 -1.174 -4.959 1.212 1.00 0.00 O ATOM 868 CB PRO A 54 0.341 -6.739 3.414 1.00 0.00 C ATOM 869 CG PRO A 54 -0.999 -7.340 3.665 1.00 0.00 C ATOM 870 CD PRO A 54 -1.782 -6.304 4.423 1.00 0.00 C ATOM 0 HA PRO A 54 0.878 -4.605 3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.803 -7.161 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.021 -6.927 4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.494 -7.595 2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.912 -8.262 4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.843 -6.343 4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.699 -6.447 5.500 1.00 0.00 H new ATOM 878 N ALA A 55 1.031 -4.518 1.139 1.00 0.00 N ATOM 879 CA ALA A 55 1.024 -4.160 -0.274 1.00 0.00 C ATOM 880 C ALA A 55 0.344 -5.238 -1.111 1.00 0.00 C ATOM 881 O ALA A 55 0.062 -6.331 -0.620 1.00 0.00 O ATOM 882 CB ALA A 55 2.444 -3.925 -0.766 1.00 0.00 C ATOM 0 H ALA A 55 1.946 -4.455 1.586 1.00 0.00 H new ATOM 0 HA ALA A 55 0.455 -3.237 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.424 -3.658 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.897 -3.114 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.030 -4.834 -0.632 1.00 0.00 H new ATOM 888 N GLU A 56 0.082 -4.923 -2.376 1.00 0.00 N ATOM 889 CA GLU A 56 -0.567 -5.865 -3.279 1.00 0.00 C ATOM 890 C GLU A 56 0.460 -6.563 -4.167 1.00 0.00 C ATOM 891 O GLU A 56 1.522 -6.013 -4.456 1.00 0.00 O ATOM 892 CB GLU A 56 -1.602 -5.145 -4.146 1.00 0.00 C ATOM 893 CG GLU A 56 -2.631 -6.076 -4.764 1.00 0.00 C ATOM 894 CD GLU A 56 -3.931 -5.369 -5.098 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.917 -4.125 -5.210 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.960 -6.059 -5.249 1.00 0.00 O ATOM 0 H GLU A 56 0.309 -4.023 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.072 -6.619 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.117 -4.400 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.086 -4.607 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.218 -6.517 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.834 -6.896 -4.075 1.00 0.00 H new ATOM 903 N ASN A 57 0.134 -7.778 -4.596 1.00 0.00 N ATOM 904 CA ASN A 57 1.028 -8.551 -5.451 1.00 0.00 C ATOM 905 C ASN A 57 1.101 -7.947 -6.850 1.00 0.00 C ATOM 906 O ASN A 57 2.135 -8.018 -7.514 1.00 0.00 O ATOM 907 CB ASN A 57 0.556 -10.004 -5.534 1.00 0.00 C ATOM 908 CG ASN A 57 -0.854 -10.124 -6.081 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.820 -9.729 -5.429 1.00 0.00 O ATOM 910 ND2 ASN A 57 -0.977 -10.671 -7.285 1.00 0.00 N ATOM 0 H ASN A 57 -0.741 -8.248 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 57 2.025 -8.524 -5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.238 -10.569 -6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.597 -10.454 -4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.900 -10.777 -7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.148 -10.985 -7.790 1.00 0.00 H new ATOM 917 N ASP A 58 -0.002 -7.353 -7.290 1.00 0.00 N ATOM 918 CA ASP A 58 -0.063 -6.734 -8.609 1.00 0.00 C ATOM 919 C ASP A 58 1.067 -5.726 -8.789 1.00 0.00 C ATOM 920 O ASP A 58 1.513 -5.471 -9.908 1.00 0.00 O ATOM 921 CB ASP A 58 -1.414 -6.046 -8.811 1.00 0.00 C ATOM 922 CG ASP A 58 -1.721 -5.792 -10.274 1.00 0.00 C ATOM 923 OD1 ASP A 58 -1.765 -6.770 -11.050 1.00 0.00 O ATOM 924 OD2 ASP A 58 -1.919 -4.616 -10.643 1.00 0.00 O ATOM 0 H ASP A 58 -0.867 -7.287 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 58 0.052 -7.519 -9.357 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.201 -6.664 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.420 -5.099 -8.272 1.00 0.00 H new ATOM 929 N VAL A 59 1.526 -5.155 -7.680 1.00 0.00 N ATOM 930 CA VAL A 59 2.605 -4.174 -7.716 1.00 0.00 C ATOM 931 C VAL A 59 3.849 -4.750 -8.381 1.00 0.00 C ATOM 932 O VAL A 59 4.138 -5.940 -8.259 1.00 0.00 O ATOM 933 CB VAL A 59 2.970 -3.690 -6.300 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.042 -2.614 -6.363 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.733 -3.181 -5.576 1.00 0.00 C ATOM 0 H VAL A 59 1.168 -5.354 -6.746 1.00 0.00 H new ATOM 0 HA VAL A 59 2.244 -3.327 -8.300 1.00 0.00 H new ATOM 0 HB VAL A 59 3.370 -4.534 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.287 -2.285 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.935 -3.018 -6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.674 -1.767 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.009 -2.843 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.301 -2.350 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.001 -3.985 -5.498 1.00 0.00 H new ATOM 945 N LYS A 60 4.585 -3.897 -9.086 1.00 0.00 N ATOM 946 CA LYS A 60 5.801 -4.318 -9.771 1.00 0.00 C ATOM 947 C LYS A 60 6.629 -3.112 -10.203 1.00 0.00 C ATOM 948 O LYS A 60 6.212 -1.966 -10.029 1.00 0.00 O ATOM 949 CB LYS A 60 5.453 -5.174 -10.991 1.00 0.00 C ATOM 950 CG LYS A 60 4.281 -4.640 -11.795 1.00 0.00 C ATOM 951 CD LYS A 60 4.547 -4.720 -13.289 1.00 0.00 C ATOM 952 CE LYS A 60 3.262 -4.942 -14.072 1.00 0.00 C ATOM 953 NZ LYS A 60 2.501 -3.676 -14.260 1.00 0.00 N ATOM 0 H LYS A 60 4.360 -2.908 -9.198 1.00 0.00 H new ATOM 0 HA LYS A 60 6.393 -4.912 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.327 -5.240 -11.639 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.224 -6.187 -10.660 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.383 -5.209 -11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.087 -3.605 -11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.025 -3.799 -13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.244 -5.533 -13.493 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.500 -5.371 -15.046 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.638 -5.666 -13.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.641 -3.867 -14.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.237 -3.288 -13.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.093 -2.987 -14.767 1.00 0.00 H new ATOM 967 N LEU A 61 7.802 -3.377 -10.767 1.00 0.00 N ATOM 968 CA LEU A 61 8.688 -2.312 -11.225 1.00 0.00 C ATOM 969 C LEU A 61 8.053 -1.532 -12.372 1.00 0.00 C ATOM 970 O LEU A 61 8.178 -0.310 -12.449 1.00 0.00 O ATOM 971 CB LEU A 61 10.030 -2.895 -11.671 1.00 0.00 C ATOM 972 CG LEU A 61 10.908 -1.981 -12.526 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.326 -0.750 -11.735 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.131 -2.734 -13.029 1.00 0.00 C ATOM 0 H LEU A 61 8.162 -4.319 -10.918 1.00 0.00 H new ATOM 0 HA LEU A 61 8.855 -1.628 -10.393 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.593 -3.179 -10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.838 -3.809 -12.232 1.00 0.00 H new ATOM 0 HG LEU A 61 10.327 -1.654 -13.388 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.950 -0.111 -12.359 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.439 -0.198 -11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.889 -1.058 -10.854 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.744 -2.068 -13.636 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.714 -3.091 -12.180 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.812 -3.584 -13.633 1.00 0.00 H new ATOM 986 N GLY A 62 7.371 -2.247 -13.262 1.00 0.00 N ATOM 987 CA GLY A 62 6.725 -1.604 -14.391 1.00 0.00 C ATOM 988 C GLY A 62 5.481 -0.837 -13.989 1.00 0.00 C ATOM 989 O GLY A 62 4.876 -0.148 -14.810 1.00 0.00 O ATOM 0 H GLY A 62 7.255 -3.260 -13.221 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.429 -0.923 -14.869 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.459 -2.359 -15.131 1.00 0.00 H new ATOM 993 N ALA A 63 5.098 -0.957 -12.722 1.00 0.00 N ATOM 994 CA ALA A 63 3.918 -0.268 -12.213 1.00 0.00 C ATOM 995 C ALA A 63 4.290 1.079 -11.602 1.00 0.00 C ATOM 996 O ALA A 63 3.777 2.121 -12.012 1.00 0.00 O ATOM 997 CB ALA A 63 3.203 -1.135 -11.187 1.00 0.00 C ATOM 0 H ALA A 63 5.587 -1.524 -12.030 1.00 0.00 H new ATOM 0 HA ALA A 63 3.245 -0.084 -13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.324 -0.609 -10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.895 -2.071 -11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.877 -1.347 -10.357 1.00 0.00 H new ATOM 1003 N LEU A 64 5.184 1.051 -10.620 1.00 0.00 N ATOM 1004 CA LEU A 64 5.624 2.271 -9.952 1.00 0.00 C ATOM 1005 C LEU A 64 6.790 2.911 -10.700 1.00 0.00 C ATOM 1006 O LEU A 64 6.822 4.126 -10.899 1.00 0.00 O ATOM 1007 CB LEU A 64 6.034 1.967 -8.510 1.00 0.00 C ATOM 1008 CG LEU A 64 5.033 1.159 -7.684 1.00 0.00 C ATOM 1009 CD1 LEU A 64 5.757 0.171 -6.784 1.00 0.00 C ATOM 1010 CD2 LEU A 64 4.151 2.086 -6.860 1.00 0.00 C ATOM 0 H LEU A 64 5.618 0.198 -10.269 1.00 0.00 H new ATOM 0 HA LEU A 64 4.791 2.973 -9.946 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.980 1.426 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.218 2.912 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 64 4.397 0.597 -8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.028 -0.395 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.345 -0.514 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.418 0.712 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.444 1.494 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.772 2.675 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.604 2.754 -7.525 1.00 0.00 H new ATOM 1022 N LYS A 65 7.745 2.086 -11.114 1.00 0.00 N ATOM 1023 CA LYS A 65 8.912 2.569 -11.843 1.00 0.00 C ATOM 1024 C LYS A 65 9.722 3.541 -10.991 1.00 0.00 C ATOM 1025 O LYS A 65 10.299 4.500 -11.504 1.00 0.00 O ATOM 1026 CB LYS A 65 8.479 3.252 -13.142 1.00 0.00 C ATOM 1027 CG LYS A 65 7.362 2.524 -13.870 1.00 0.00 C ATOM 1028 CD LYS A 65 7.645 2.415 -15.359 1.00 0.00 C ATOM 1029 CE LYS A 65 7.242 3.683 -16.097 1.00 0.00 C ATOM 1030 NZ LYS A 65 8.384 4.628 -16.239 1.00 0.00 N ATOM 0 H LYS A 65 7.734 1.078 -10.957 1.00 0.00 H new ATOM 0 HA LYS A 65 9.541 1.712 -12.082 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.153 4.268 -12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.341 3.333 -13.805 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.241 1.526 -13.448 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.421 3.052 -13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.707 2.223 -15.516 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.103 1.564 -15.772 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.861 3.423 -17.084 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.430 4.173 -15.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.069 5.479 -16.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.732 4.896 -15.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.150 4.170 -16.773 1.00 0.00 H new ATOM 1044 N LEU A 66 9.762 3.286 -9.688 1.00 0.00 N ATOM 1045 CA LEU A 66 10.504 4.137 -8.764 1.00 0.00 C ATOM 1046 C LEU A 66 11.977 3.746 -8.727 1.00 0.00 C ATOM 1047 O LEU A 66 12.409 2.841 -9.440 1.00 0.00 O ATOM 1048 CB LEU A 66 9.904 4.044 -7.360 1.00 0.00 C ATOM 1049 CG LEU A 66 9.055 5.234 -6.912 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.864 4.762 -6.092 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.896 6.221 -6.116 1.00 0.00 C ATOM 0 H LEU A 66 9.289 2.497 -9.247 1.00 0.00 H new ATOM 0 HA LEU A 66 10.429 5.166 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.290 3.145 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.718 3.915 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 66 8.680 5.742 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.272 5.623 -5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.248 4.096 -6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.218 4.229 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.275 7.061 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.302 5.725 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.715 6.585 -6.737 1.00 0.00 H new ATOM 1063 N LYS A 67 12.746 4.434 -7.888 1.00 0.00 N ATOM 1064 CA LYS A 67 14.171 4.157 -7.754 1.00 0.00 C ATOM 1065 C LYS A 67 14.518 3.774 -6.318 1.00 0.00 C ATOM 1066 O LYS A 67 13.816 4.126 -5.370 1.00 0.00 O ATOM 1067 CB LYS A 67 14.991 5.377 -8.180 1.00 0.00 C ATOM 1068 CG LYS A 67 14.654 6.638 -7.403 1.00 0.00 C ATOM 1069 CD LYS A 67 13.605 7.471 -8.120 1.00 0.00 C ATOM 1070 CE LYS A 67 14.229 8.344 -9.199 1.00 0.00 C ATOM 1071 NZ LYS A 67 13.375 9.519 -9.525 1.00 0.00 N ATOM 0 H LYS A 67 12.405 5.187 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 67 14.415 3.317 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.050 5.154 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.829 5.560 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.291 6.369 -6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.557 7.232 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.860 6.813 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.082 8.100 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.208 8.688 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.389 7.750 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.835 10.088 -10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.449 9.191 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.243 10.100 -8.672 1.00 0.00 H new ATOM 1085 N PRO A 68 15.627 3.038 -6.153 1.00 0.00 N ATOM 1086 CA PRO A 68 16.092 2.594 -4.836 1.00 0.00 C ATOM 1087 C PRO A 68 16.613 3.748 -3.986 1.00 0.00 C ATOM 1088 O PRO A 68 16.793 3.608 -2.777 1.00 0.00 O ATOM 1089 CB PRO A 68 17.226 1.621 -5.170 1.00 0.00 C ATOM 1090 CG PRO A 68 17.716 2.056 -6.509 1.00 0.00 C ATOM 1091 CD PRO A 68 16.511 2.583 -7.239 1.00 0.00 C ATOM 0 HA PRO A 68 15.289 2.149 -4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.019 1.667 -4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.870 0.591 -5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.482 2.826 -6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.167 1.223 -7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.774 3.399 -7.912 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.038 1.810 -7.845 1.00 0.00 H new ATOM 1099 N ASN A 69 16.854 4.887 -4.626 1.00 0.00 N ATOM 1100 CA ASN A 69 17.355 6.065 -3.928 1.00 0.00 C ATOM 1101 C ASN A 69 16.446 6.432 -2.758 1.00 0.00 C ATOM 1102 O ASN A 69 16.876 7.076 -1.801 1.00 0.00 O ATOM 1103 CB ASN A 69 17.464 7.248 -4.893 1.00 0.00 C ATOM 1104 CG ASN A 69 18.161 8.441 -4.269 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.528 9.280 -3.629 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.474 8.521 -4.454 1.00 0.00 N ATOM 0 H ASN A 69 16.710 5.019 -5.627 1.00 0.00 H new ATOM 0 HA ASN A 69 18.345 5.831 -3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 69 18.009 6.937 -5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.466 7.542 -5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 69 19.998 9.301 -4.058 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.958 7.802 -4.992 1.00 0.00 H new ATOM 1113 N THR A 70 15.186 6.016 -2.842 1.00 0.00 N ATOM 1114 CA THR A 70 14.216 6.300 -1.791 1.00 0.00 C ATOM 1115 C THR A 70 14.774 5.944 -0.418 1.00 0.00 C ATOM 1116 O THR A 70 14.598 6.689 0.547 1.00 0.00 O ATOM 1117 CB THR A 70 12.903 5.527 -2.016 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.160 4.326 -2.752 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.894 6.382 -2.767 1.00 0.00 C ATOM 0 H THR A 70 14.813 5.481 -3.627 1.00 0.00 H new ATOM 0 HA THR A 70 14.010 7.370 -1.830 1.00 0.00 H new ATOM 0 HB THR A 70 12.486 5.272 -1.042 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.231 4.536 -3.707 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.975 5.815 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.677 7.281 -2.190 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.306 6.664 -3.736 1.00 0.00 H new ATOM 1127 N LYS A 71 15.447 4.801 -0.335 1.00 0.00 N ATOM 1128 CA LYS A 71 16.032 4.347 0.920 1.00 0.00 C ATOM 1129 C LYS A 71 14.951 4.105 1.969 1.00 0.00 C ATOM 1130 O LYS A 71 14.327 5.047 2.458 1.00 0.00 O ATOM 1131 CB LYS A 71 17.040 5.375 1.439 1.00 0.00 C ATOM 1132 CG LYS A 71 18.475 5.073 1.044 1.00 0.00 C ATOM 1133 CD LYS A 71 19.107 4.054 1.978 1.00 0.00 C ATOM 1134 CE LYS A 71 19.497 4.682 3.307 1.00 0.00 C ATOM 1135 NZ LYS A 71 20.500 5.769 3.134 1.00 0.00 N ATOM 0 H LYS A 71 15.601 4.172 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 71 16.547 3.405 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.768 6.361 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.973 5.420 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.500 4.696 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.059 5.993 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.408 3.236 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.990 3.624 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.608 5.082 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.903 3.915 3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.034 5.893 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.155 5.518 2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.013 6.657 2.897 1.00 0.00 H new ATOM 1149 N ILE A 72 14.736 2.839 2.310 1.00 0.00 N ATOM 1150 CA ILE A 72 13.733 2.476 3.302 1.00 0.00 C ATOM 1151 C ILE A 72 14.385 2.049 4.613 1.00 0.00 C ATOM 1152 O ILE A 72 15.446 1.426 4.615 1.00 0.00 O ATOM 1153 CB ILE A 72 12.828 1.337 2.797 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.772 0.990 3.848 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.661 0.112 2.452 1.00 0.00 C ATOM 1156 CD1 ILE A 72 12.199 -0.111 4.794 1.00 0.00 C ATOM 0 H ILE A 72 15.243 2.048 1.914 1.00 0.00 H new ATOM 0 HA ILE A 72 13.124 3.364 3.474 1.00 0.00 H new ATOM 0 HB ILE A 72 12.318 1.672 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.539 1.884 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.854 0.688 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.007 -0.684 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.378 0.368 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.195 -0.226 3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.401 -0.304 5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.404 -1.019 4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.099 0.196 5.326 1.00 0.00 H new ATOM 1168 N MET A 73 13.741 2.386 5.725 1.00 0.00 N ATOM 1169 CA MET A 73 14.257 2.034 7.043 1.00 0.00 C ATOM 1170 C MET A 73 13.232 1.222 7.829 1.00 0.00 C ATOM 1171 O MET A 73 12.135 1.702 8.116 1.00 0.00 O ATOM 1172 CB MET A 73 14.631 3.296 7.822 1.00 0.00 C ATOM 1173 CG MET A 73 16.017 3.826 7.491 1.00 0.00 C ATOM 1174 SD MET A 73 16.768 4.714 8.869 1.00 0.00 S ATOM 1175 CE MET A 73 18.456 4.869 8.292 1.00 0.00 C ATOM 0 H MET A 73 12.861 2.902 5.740 1.00 0.00 H new ATOM 0 HA MET A 73 15.149 1.424 6.905 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.895 4.073 7.615 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.578 3.083 8.890 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.661 2.994 7.205 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.952 4.489 6.629 1.00 0.00 H new ATOM 0 HE1 MET A 73 19.048 5.399 9.038 1.00 0.00 H new ATOM 0 HE2 MET A 73 18.878 3.877 8.131 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.471 5.426 7.355 1.00 0.00 H new ATOM 1185 N MET A 74 13.597 -0.008 8.174 1.00 0.00 N ATOM 1186 CA MET A 74 12.708 -0.885 8.928 1.00 0.00 C ATOM 1187 C MET A 74 13.292 -1.199 10.302 1.00 0.00 C ATOM 1188 O MET A 74 14.508 -1.290 10.464 1.00 0.00 O ATOM 1189 CB MET A 74 12.463 -2.183 8.157 1.00 0.00 C ATOM 1190 CG MET A 74 13.437 -3.295 8.514 1.00 0.00 C ATOM 1191 SD MET A 74 13.242 -4.751 7.467 1.00 0.00 S ATOM 1192 CE MET A 74 11.472 -5.003 7.564 1.00 0.00 C ATOM 0 H MET A 74 14.501 -0.420 7.944 1.00 0.00 H new ATOM 0 HA MET A 74 11.758 -0.368 9.065 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.447 -2.525 8.351 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.532 -1.980 7.088 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.457 -2.922 8.425 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.292 -3.579 9.556 1.00 0.00 H new ATOM 0 HE1 MET A 74 11.253 -6.069 7.512 1.00 0.00 H new ATOM 0 HE2 MET A 74 11.098 -4.602 8.506 1.00 0.00 H new ATOM 0 HE3 MET A 74 10.986 -4.491 6.733 1.00 0.00 H new ATOM 1202 N MET A 75 12.417 -1.362 11.289 1.00 0.00 N ATOM 1203 CA MET A 75 12.846 -1.666 12.649 1.00 0.00 C ATOM 1204 C MET A 75 11.943 -2.720 13.282 1.00 0.00 C ATOM 1205 O MET A 75 10.763 -2.820 12.950 1.00 0.00 O ATOM 1206 CB MET A 75 12.844 -0.397 13.503 1.00 0.00 C ATOM 1207 CG MET A 75 13.649 -0.526 14.786 1.00 0.00 C ATOM 1208 SD MET A 75 12.626 -0.953 16.208 1.00 0.00 S ATOM 1209 CE MET A 75 13.360 0.078 17.475 1.00 0.00 C ATOM 0 H MET A 75 11.406 -1.289 11.172 1.00 0.00 H new ATOM 0 HA MET A 75 13.860 -2.063 12.603 1.00 0.00 H new ATOM 0 HB2 MET A 75 13.245 0.428 12.914 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.815 -0.139 13.754 1.00 0.00 H new ATOM 0 HG2 MET A 75 14.417 -1.288 14.654 1.00 0.00 H new ATOM 0 HG3 MET A 75 14.164 0.414 14.983 1.00 0.00 H new ATOM 0 HE1 MET A 75 12.834 -0.074 18.418 1.00 0.00 H new ATOM 0 HE2 MET A 75 14.410 -0.188 17.598 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.283 1.125 17.182 1.00 0.00 H new ATOM 1219 N GLY A 76 12.507 -3.505 14.195 1.00 0.00 N ATOM 1220 CA GLY A 76 11.738 -4.542 14.858 1.00 0.00 C ATOM 1221 C GLY A 76 11.541 -5.766 13.987 1.00 0.00 C ATOM 1222 O GLY A 76 10.417 -6.239 13.811 1.00 0.00 O ATOM 0 H GLY A 76 13.482 -3.441 14.487 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.244 -4.833 15.778 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.765 -4.142 15.142 1.00 0.00 H new ATOM 1226 N THR A 77 12.636 -6.281 13.436 1.00 0.00 N ATOM 1227 CA THR A 77 12.578 -7.456 12.576 1.00 0.00 C ATOM 1228 C THR A 77 13.382 -8.609 13.165 1.00 0.00 C ATOM 1229 O THR A 77 14.371 -9.052 12.581 1.00 0.00 O ATOM 1230 CB THR A 77 13.109 -7.144 11.164 1.00 0.00 C ATOM 1231 OG1 THR A 77 14.178 -6.195 11.241 1.00 0.00 O ATOM 1232 CG2 THR A 77 12.000 -6.596 10.278 1.00 0.00 C ATOM 0 H THR A 77 13.574 -5.902 13.570 1.00 0.00 H new ATOM 0 HA THR A 77 11.530 -7.746 12.507 1.00 0.00 H new ATOM 0 HB THR A 77 13.478 -8.071 10.726 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.917 -6.576 11.760 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.399 -6.383 9.286 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.201 -7.333 10.197 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.605 -5.679 10.715 1.00 0.00 H new ATOM 1240 N ARG A 78 12.951 -9.092 14.326 1.00 0.00 N ATOM 1241 CA ARG A 78 13.632 -10.195 14.995 1.00 0.00 C ATOM 1242 C ARG A 78 12.701 -10.888 15.986 1.00 0.00 C ATOM 1243 O ARG A 78 11.616 -10.390 16.283 1.00 0.00 O ATOM 1244 CB ARG A 78 14.879 -9.687 15.720 1.00 0.00 C ATOM 1245 CG ARG A 78 14.603 -8.535 16.673 1.00 0.00 C ATOM 1246 CD ARG A 78 14.680 -8.981 18.124 1.00 0.00 C ATOM 1247 NE ARG A 78 14.305 -7.913 19.046 1.00 0.00 N ATOM 1248 CZ ARG A 78 15.134 -6.950 19.433 1.00 0.00 C ATOM 1249 NH1 ARG A 78 16.379 -6.922 18.979 1.00 0.00 N ATOM 1250 NH2 ARG A 78 14.718 -6.013 20.275 1.00 0.00 N ATOM 0 H ARG A 78 12.134 -8.737 14.823 1.00 0.00 H new ATOM 0 HA ARG A 78 13.930 -10.919 14.236 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.325 -10.510 16.278 1.00 0.00 H new ATOM 0 HB3 ARG A 78 15.614 -9.368 14.981 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.324 -7.736 16.498 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.615 -8.123 16.470 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.023 -9.838 18.275 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.694 -9.313 18.348 1.00 0.00 H new ATOM 0 HE ARG A 78 13.354 -7.906 19.413 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.702 -7.641 18.331 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.014 -6.182 19.277 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.760 -6.031 20.626 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.356 -5.274 20.571 1.00 0.00 H new ATOM 1264 N GLU A 79 13.134 -12.038 16.491 1.00 0.00 N ATOM 1265 CA GLU A 79 12.338 -12.799 17.447 1.00 0.00 C ATOM 1266 C GLU A 79 12.964 -12.750 18.838 1.00 0.00 C ATOM 1267 O GLU A 79 14.043 -13.297 19.064 1.00 0.00 O ATOM 1268 CB GLU A 79 12.203 -14.253 16.988 1.00 0.00 C ATOM 1269 CG GLU A 79 11.096 -15.014 17.699 1.00 0.00 C ATOM 1270 CD GLU A 79 11.503 -15.475 19.085 1.00 0.00 C ATOM 1271 OE1 GLU A 79 12.530 -16.174 19.202 1.00 0.00 O ATOM 1272 OE2 GLU A 79 10.792 -15.135 20.055 1.00 0.00 O ATOM 0 H GLU A 79 14.031 -12.463 16.255 1.00 0.00 H new ATOM 0 HA GLU A 79 11.347 -12.347 17.497 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.013 -14.271 15.915 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.150 -14.767 17.153 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.214 -14.378 17.776 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.813 -15.880 17.101 1.00 0.00 H new ATOM 1279 N GLU A 80 12.279 -12.089 19.766 1.00 0.00 N ATOM 1280 CA GLU A 80 12.769 -11.966 21.134 1.00 0.00 C ATOM 1281 C GLU A 80 12.356 -13.174 21.970 1.00 0.00 C ATOM 1282 O GLU A 80 11.185 -13.336 22.311 1.00 0.00 O ATOM 1283 CB GLU A 80 12.238 -10.683 21.776 1.00 0.00 C ATOM 1284 CG GLU A 80 12.798 -10.420 23.164 1.00 0.00 C ATOM 1285 CD GLU A 80 11.934 -9.471 23.972 1.00 0.00 C ATOM 1286 OE1 GLU A 80 10.713 -9.417 23.716 1.00 0.00 O ATOM 1287 OE2 GLU A 80 12.480 -8.784 24.860 1.00 0.00 O ATOM 0 H GLU A 80 11.384 -11.631 19.596 1.00 0.00 H new ATOM 0 HA GLU A 80 13.858 -11.923 21.100 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.477 -9.838 21.131 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.151 -10.740 21.837 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.891 -11.365 23.699 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.802 -10.004 23.074 1.00 0.00 H new ATOM 1294 N SER A 81 13.328 -14.021 22.295 1.00 0.00 N ATOM 1295 CA SER A 81 13.066 -15.217 23.087 1.00 0.00 C ATOM 1296 C SER A 81 13.094 -14.898 24.579 1.00 0.00 C ATOM 1297 O SER A 81 13.489 -15.730 25.394 1.00 0.00 O ATOM 1298 CB SER A 81 14.096 -16.302 22.767 1.00 0.00 C ATOM 1299 OG SER A 81 14.392 -16.331 21.381 1.00 0.00 O ATOM 0 H SER A 81 14.303 -13.901 22.022 1.00 0.00 H new ATOM 0 HA SER A 81 12.072 -15.582 22.830 1.00 0.00 H new ATOM 0 HB2 SER A 81 15.009 -16.119 23.333 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.715 -17.274 23.081 1.00 0.00 H new ATOM 0 HG SER A 81 13.560 -16.261 20.867 1.00 0.00 H new TER 1305 SER A 81