USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 647 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 30 GLN : amide:sc= -0.499 K(o=0.26,f=-4.6!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -147:sc= 0.763 (180deg=0) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0109) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -174:sc= -0.271 (180deg=-0.325) USER MOD Set 3.1: A 5 MET CE :methyl -133:sc= -4.24 (180deg=-12.8!) USER MOD Set 3.2: A 70 THR OG1 : rot -80:sc= 0.653 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= -0.715 (180deg=-2.96!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.14) USER MOD Single : A 14 TYR OH : rot 178:sc= -1.22! USER MOD Single : A 15 SER OG : rot 44:sc= 0.492 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 18 THR OG1 : rot -28:sc= 0.6 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.558 USER MOD Single : A 34 THR OG1 : rot -81:sc= 0.824 USER MOD Single : A 36 THR OG1 : rot -60:sc= 0.0484 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.524 F(o=-2.4,f=-0.52) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0473 (180deg=-0.234) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.43) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= -0.04 (180deg=-0.242) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -130:sc= -0.205 (180deg=-0.771) USER MOD Single : A 75 MET CE :methyl -146:sc= 0 (180deg=-1.26) USER MOD Single : A 77 THR OG1 : rot 168:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.706 -0.655 -1.176 1.00 0.00 N ATOM 2 CA MET A 1 1.646 -0.678 -2.291 1.00 0.00 C ATOM 3 C MET A 1 3.081 -0.809 -1.790 1.00 0.00 C ATOM 4 O MET A 1 3.476 -0.145 -0.832 1.00 0.00 O ATOM 5 CB MET A 1 1.502 0.590 -3.135 1.00 0.00 C ATOM 6 CG MET A 1 1.873 1.861 -2.389 1.00 0.00 C ATOM 7 SD MET A 1 1.259 3.348 -3.203 1.00 0.00 S ATOM 8 CE MET A 1 1.321 4.523 -1.853 1.00 0.00 C ATOM 0 H1 MET A 1 -0.006 -1.401 -1.307 1.00 0.00 H new ATOM 0 H2 MET A 1 1.219 -0.818 -0.286 1.00 0.00 H new ATOM 0 H3 MET A 1 0.234 0.271 -1.139 1.00 0.00 H new ATOM 0 HA MET A 1 1.415 -1.545 -2.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.132 0.501 -4.020 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.472 0.670 -3.483 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.472 1.814 -1.377 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.958 1.922 -2.300 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.970 5.495 -2.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.683 4.177 -1.040 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.347 4.614 -1.496 1.00 0.00 H new ATOM 18 N ALA A 2 3.855 -1.669 -2.443 1.00 0.00 N ATOM 19 CA ALA A 2 5.246 -1.884 -2.064 1.00 0.00 C ATOM 20 C ALA A 2 6.189 -1.080 -2.953 1.00 0.00 C ATOM 21 O ALA A 2 6.271 -1.313 -4.159 1.00 0.00 O ATOM 22 CB ALA A 2 5.589 -3.365 -2.133 1.00 0.00 C ATOM 0 H ALA A 2 3.543 -2.228 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 2 5.374 -1.539 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.631 -3.511 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.945 -3.920 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.438 -3.727 -3.150 1.00 0.00 H new ATOM 28 N LEU A 3 6.898 -0.132 -2.350 1.00 0.00 N ATOM 29 CA LEU A 3 7.835 0.709 -3.088 1.00 0.00 C ATOM 30 C LEU A 3 9.238 0.111 -3.064 1.00 0.00 C ATOM 31 O LEU A 3 9.657 -0.513 -2.088 1.00 0.00 O ATOM 32 CB LEU A 3 7.859 2.120 -2.497 1.00 0.00 C ATOM 33 CG LEU A 3 6.496 2.752 -2.214 1.00 0.00 C ATOM 34 CD1 LEU A 3 5.493 2.363 -3.290 1.00 0.00 C ATOM 35 CD2 LEU A 3 5.992 2.341 -0.839 1.00 0.00 C ATOM 0 H LEU A 3 6.842 0.074 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 3 7.500 0.762 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.425 2.093 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.403 2.770 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 3 6.610 3.836 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.529 2.822 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.848 2.709 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.382 1.279 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.021 2.800 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.894 1.256 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.699 2.671 -0.078 1.00 0.00 H new ATOM 47 N PRO A 4 9.983 0.307 -4.161 1.00 0.00 N ATOM 48 CA PRO A 4 11.352 -0.203 -4.290 1.00 0.00 C ATOM 49 C PRO A 4 12.330 0.527 -3.375 1.00 0.00 C ATOM 50 O PRO A 4 12.761 1.640 -3.674 1.00 0.00 O ATOM 51 CB PRO A 4 11.693 0.063 -5.758 1.00 0.00 C ATOM 52 CG PRO A 4 10.818 1.203 -6.150 1.00 0.00 C ATOM 53 CD PRO A 4 9.548 1.041 -5.361 1.00 0.00 C ATOM 0 HA PRO A 4 11.425 -1.253 -4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.747 0.313 -5.881 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.500 -0.815 -6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.297 2.157 -5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.616 1.190 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.108 2.005 -5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.795 0.486 -5.921 1.00 0.00 H new ATOM 61 N MET A 5 12.678 -0.108 -2.261 1.00 0.00 N ATOM 62 CA MET A 5 13.607 0.481 -1.304 1.00 0.00 C ATOM 63 C MET A 5 14.560 -0.575 -0.751 1.00 0.00 C ATOM 64 O MET A 5 14.375 -1.771 -0.979 1.00 0.00 O ATOM 65 CB MET A 5 12.841 1.143 -0.157 1.00 0.00 C ATOM 66 CG MET A 5 11.360 1.332 -0.445 1.00 0.00 C ATOM 67 SD MET A 5 10.572 2.484 0.695 1.00 0.00 S ATOM 68 CE MET A 5 9.995 3.743 -0.440 1.00 0.00 C ATOM 0 H MET A 5 12.331 -1.030 -1.999 1.00 0.00 H new ATOM 0 HA MET A 5 14.193 1.238 -1.824 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.954 0.537 0.742 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.288 2.114 0.055 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.236 1.695 -1.465 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.856 0.367 -0.386 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.260 4.728 -0.056 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.461 3.596 -1.414 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.912 3.672 -0.542 1.00 0.00 H new ATOM 78 N ILE A 6 15.578 -0.124 -0.026 1.00 0.00 N ATOM 79 CA ILE A 6 16.558 -1.030 0.559 1.00 0.00 C ATOM 80 C ILE A 6 16.479 -1.017 2.082 1.00 0.00 C ATOM 81 O ILE A 6 16.347 0.040 2.699 1.00 0.00 O ATOM 82 CB ILE A 6 17.991 -0.665 0.128 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.030 -0.343 -1.368 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.949 -1.800 0.456 1.00 0.00 C ATOM 85 CD1 ILE A 6 17.595 -1.497 -2.245 1.00 0.00 C ATOM 0 H ILE A 6 15.745 0.863 0.170 1.00 0.00 H new ATOM 0 HA ILE A 6 16.321 -2.029 0.193 1.00 0.00 H new ATOM 0 HB ILE A 6 18.306 0.220 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.386 0.515 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 6 19.043 -0.050 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.957 -1.526 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.938 -1.986 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.639 -2.702 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.647 -1.198 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.253 -2.349 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 6 16.571 -1.776 -1.998 1.00 0.00 H new ATOM 97 N VAL A 7 16.562 -2.200 2.684 1.00 0.00 N ATOM 98 CA VAL A 7 16.503 -2.325 4.135 1.00 0.00 C ATOM 99 C VAL A 7 17.897 -2.493 4.730 1.00 0.00 C ATOM 100 O VAL A 7 18.688 -3.314 4.264 1.00 0.00 O ATOM 101 CB VAL A 7 15.628 -3.519 4.560 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.472 -3.555 6.073 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.271 -3.455 3.877 1.00 0.00 C ATOM 0 H VAL A 7 16.670 -3.085 2.189 1.00 0.00 H new ATOM 0 HA VAL A 7 16.058 -1.405 4.514 1.00 0.00 H new ATOM 0 HB VAL A 7 16.123 -4.439 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.851 -4.405 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.453 -3.653 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.000 -2.633 6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.666 -4.306 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.767 -2.530 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.406 -3.483 2.796 1.00 0.00 H new ATOM 113 N LYS A 8 18.192 -1.710 5.761 1.00 0.00 N ATOM 114 CA LYS A 8 19.491 -1.772 6.423 1.00 0.00 C ATOM 115 C LYS A 8 19.358 -1.465 7.911 1.00 0.00 C ATOM 116 O LYS A 8 19.731 -0.384 8.367 1.00 0.00 O ATOM 117 CB LYS A 8 20.464 -0.786 5.773 1.00 0.00 C ATOM 118 CG LYS A 8 20.449 -0.827 4.255 1.00 0.00 C ATOM 119 CD LYS A 8 21.605 -0.038 3.664 1.00 0.00 C ATOM 120 CE LYS A 8 22.902 -0.831 3.707 1.00 0.00 C ATOM 121 NZ LYS A 8 24.093 0.044 3.524 1.00 0.00 N ATOM 0 H LYS A 8 17.549 -1.024 6.157 1.00 0.00 H new ATOM 0 HA LYS A 8 19.880 -2.784 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.219 0.224 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.474 -1.000 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.504 -1.862 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.506 -0.422 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.375 0.229 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.729 0.895 4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.978 -1.352 4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.888 -1.593 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.957 -0.534 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.034 0.522 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.121 0.755 4.282 1.00 0.00 H new ATOM 135 N TRP A 9 18.828 -2.423 8.662 1.00 0.00 N ATOM 136 CA TRP A 9 18.648 -2.255 10.100 1.00 0.00 C ATOM 137 C TRP A 9 19.868 -2.760 10.864 1.00 0.00 C ATOM 138 O TRP A 9 19.831 -2.905 12.085 1.00 0.00 O ATOM 139 CB TRP A 9 17.395 -2.997 10.568 1.00 0.00 C ATOM 140 CG TRP A 9 16.960 -2.615 11.951 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.697 -3.461 12.990 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.737 -1.289 12.443 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.323 -2.741 14.099 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.341 -1.406 13.790 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.835 -0.015 11.878 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.042 -0.297 14.577 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.539 1.085 12.661 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.147 0.938 13.998 1.00 0.00 C ATOM 0 H TRP A 9 18.515 -3.324 8.300 1.00 0.00 H new ATOM 0 HA TRP A 9 18.529 -1.191 10.304 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.581 -2.797 9.871 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.584 -4.070 10.538 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.772 -4.538 12.947 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.073 -3.136 15.005 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.137 0.108 10.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.738 -0.408 15.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.611 2.075 12.235 1.00 0.00 H new ATOM 0 HH2 TRP A 9 15.923 1.818 14.583 1.00 0.00 H new ATOM 159 N GLY A 10 20.948 -3.027 10.136 1.00 0.00 N ATOM 160 CA GLY A 10 22.163 -3.512 10.762 1.00 0.00 C ATOM 161 C GLY A 10 22.397 -4.988 10.508 1.00 0.00 C ATOM 162 O GLY A 10 22.865 -5.374 9.438 1.00 0.00 O ATOM 0 H GLY A 10 21.003 -2.916 9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.013 -2.943 10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.110 -3.335 11.836 1.00 0.00 H new ATOM 166 N GLY A 11 22.072 -5.816 11.496 1.00 0.00 N ATOM 167 CA GLY A 11 22.258 -7.249 11.355 1.00 0.00 C ATOM 168 C GLY A 11 21.576 -7.803 10.121 1.00 0.00 C ATOM 169 O GLY A 11 22.047 -8.772 9.526 1.00 0.00 O ATOM 0 H GLY A 11 21.683 -5.520 12.392 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.324 -7.471 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.867 -7.752 12.239 1.00 0.00 H new ATOM 173 N GLN A 12 20.462 -7.188 9.735 1.00 0.00 N ATOM 174 CA GLN A 12 19.713 -7.629 8.564 1.00 0.00 C ATOM 175 C GLN A 12 19.674 -6.537 7.500 1.00 0.00 C ATOM 176 O GLN A 12 19.278 -5.404 7.775 1.00 0.00 O ATOM 177 CB GLN A 12 18.289 -8.021 8.961 1.00 0.00 C ATOM 178 CG GLN A 12 18.226 -9.221 9.892 1.00 0.00 C ATOM 179 CD GLN A 12 18.857 -10.461 9.290 1.00 0.00 C ATOM 180 OE1 GLN A 12 18.232 -11.166 8.497 1.00 0.00 O ATOM 181 NE2 GLN A 12 20.101 -10.734 9.664 1.00 0.00 N ATOM 0 H GLN A 12 20.059 -6.384 10.216 1.00 0.00 H new ATOM 0 HA GLN A 12 20.219 -8.500 8.147 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.808 -7.171 9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.717 -8.240 8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.732 -8.978 10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.185 -9.431 10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.581 -10.122 10.324 1.00 0.00 H new ATOM 0 HE22 GLN A 12 20.577 -11.556 9.292 1.00 0.00 H new ATOM 190 N GLU A 13 20.089 -6.885 6.286 1.00 0.00 N ATOM 191 CA GLU A 13 20.102 -5.933 5.182 1.00 0.00 C ATOM 192 C GLU A 13 19.573 -6.575 3.903 1.00 0.00 C ATOM 193 O GLU A 13 20.338 -7.121 3.107 1.00 0.00 O ATOM 194 CB GLU A 13 21.520 -5.405 4.952 1.00 0.00 C ATOM 195 CG GLU A 13 21.642 -4.498 3.738 1.00 0.00 C ATOM 196 CD GLU A 13 22.291 -5.192 2.556 1.00 0.00 C ATOM 197 OE1 GLU A 13 23.456 -5.622 2.687 1.00 0.00 O ATOM 198 OE2 GLU A 13 21.634 -5.304 1.500 1.00 0.00 O ATOM 0 H GLU A 13 20.420 -7.818 6.042 1.00 0.00 H new ATOM 0 HA GLU A 13 19.450 -5.100 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.843 -4.858 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.199 -6.250 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.651 -4.147 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 13 22.227 -3.617 4.004 1.00 0.00 H new ATOM 205 N TYR A 14 18.260 -6.507 3.713 1.00 0.00 N ATOM 206 CA TYR A 14 17.628 -7.084 2.533 1.00 0.00 C ATOM 207 C TYR A 14 16.971 -6.001 1.682 1.00 0.00 C ATOM 208 O TYR A 14 16.082 -5.286 2.144 1.00 0.00 O ATOM 209 CB TYR A 14 16.587 -8.126 2.944 1.00 0.00 C ATOM 210 CG TYR A 14 17.003 -9.549 2.647 1.00 0.00 C ATOM 211 CD1 TYR A 14 18.219 -10.046 3.099 1.00 0.00 C ATOM 212 CD2 TYR A 14 16.181 -10.395 1.914 1.00 0.00 C ATOM 213 CE1 TYR A 14 18.605 -11.345 2.829 1.00 0.00 C ATOM 214 CE2 TYR A 14 16.557 -11.696 1.641 1.00 0.00 C ATOM 215 CZ TYR A 14 17.770 -12.166 2.100 1.00 0.00 C ATOM 216 OH TYR A 14 18.149 -13.461 1.829 1.00 0.00 O ATOM 0 H TYR A 14 17.613 -6.058 4.361 1.00 0.00 H new ATOM 0 HA TYR A 14 18.402 -7.569 1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.391 -8.029 4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.651 -7.915 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.874 -9.406 3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.232 -10.030 1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.555 -11.715 3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.905 -12.342 1.071 1.00 0.00 H new ATOM 0 HH TYR A 14 17.435 -13.914 1.335 1.00 0.00 H new ATOM 226 N SER A 15 17.416 -5.887 0.434 1.00 0.00 N ATOM 227 CA SER A 15 16.875 -4.890 -0.482 1.00 0.00 C ATOM 228 C SER A 15 15.446 -5.241 -0.885 1.00 0.00 C ATOM 229 O SER A 15 15.217 -6.177 -1.651 1.00 0.00 O ATOM 230 CB SER A 15 17.756 -4.780 -1.728 1.00 0.00 C ATOM 231 OG SER A 15 17.927 -6.044 -2.345 1.00 0.00 O ATOM 0 H SER A 15 18.149 -6.473 0.035 1.00 0.00 H new ATOM 0 HA SER A 15 16.863 -3.929 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.305 -4.084 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.729 -4.371 -1.455 1.00 0.00 H new ATOM 0 HG SER A 15 17.068 -6.514 -2.371 1.00 0.00 H new ATOM 237 N VAL A 16 14.487 -4.483 -0.363 1.00 0.00 N ATOM 238 CA VAL A 16 13.080 -4.712 -0.668 1.00 0.00 C ATOM 239 C VAL A 16 12.667 -3.978 -1.939 1.00 0.00 C ATOM 240 O VAL A 16 11.661 -3.268 -1.960 1.00 0.00 O ATOM 241 CB VAL A 16 12.173 -4.259 0.492 1.00 0.00 C ATOM 242 CG1 VAL A 16 12.350 -2.772 0.758 1.00 0.00 C ATOM 243 CG2 VAL A 16 10.719 -4.586 0.189 1.00 0.00 C ATOM 0 H VAL A 16 14.659 -3.705 0.273 1.00 0.00 H new ATOM 0 HA VAL A 16 12.959 -5.785 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 16 12.463 -4.801 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.702 -2.470 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 16 13.388 -2.571 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.087 -2.208 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.092 -4.259 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.413 -4.072 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.609 -5.662 0.053 1.00 0.00 H new ATOM 253 N THR A 17 13.450 -4.154 -2.998 1.00 0.00 N ATOM 254 CA THR A 17 13.166 -3.508 -4.274 1.00 0.00 C ATOM 255 C THR A 17 11.954 -4.137 -4.951 1.00 0.00 C ATOM 256 O THR A 17 11.438 -5.160 -4.499 1.00 0.00 O ATOM 257 CB THR A 17 14.373 -3.593 -5.227 1.00 0.00 C ATOM 258 OG1 THR A 17 14.110 -2.844 -6.419 1.00 0.00 O ATOM 259 CG2 THR A 17 14.678 -5.039 -5.587 1.00 0.00 C ATOM 0 H THR A 17 14.286 -4.738 -2.998 1.00 0.00 H new ATOM 0 HA THR A 17 12.955 -2.461 -4.058 1.00 0.00 H new ATOM 0 HB THR A 17 15.240 -3.172 -4.718 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.883 -2.902 -7.019 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.534 -5.073 -6.261 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.907 -5.599 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.812 -5.482 -6.078 1.00 0.00 H new ATOM 267 N THR A 18 11.502 -3.519 -6.038 1.00 0.00 N ATOM 268 CA THR A 18 10.349 -4.018 -6.777 1.00 0.00 C ATOM 269 C THR A 18 10.759 -5.102 -7.768 1.00 0.00 C ATOM 270 O THR A 18 9.910 -5.725 -8.408 1.00 0.00 O ATOM 271 CB THR A 18 9.636 -2.885 -7.538 1.00 0.00 C ATOM 272 OG1 THR A 18 8.453 -3.387 -8.170 1.00 0.00 O ATOM 273 CG2 THR A 18 10.556 -2.274 -8.585 1.00 0.00 C ATOM 0 H THR A 18 11.917 -2.672 -6.426 1.00 0.00 H new ATOM 0 HA THR A 18 9.662 -4.441 -6.044 1.00 0.00 H new ATOM 0 HB THR A 18 9.363 -2.111 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.572 -4.337 -8.379 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.031 -1.476 -9.110 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.442 -1.866 -8.098 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.856 -3.042 -9.299 1.00 0.00 H new ATOM 281 N LEU A 19 12.063 -5.323 -7.891 1.00 0.00 N ATOM 282 CA LEU A 19 12.585 -6.333 -8.805 1.00 0.00 C ATOM 283 C LEU A 19 12.356 -5.925 -10.256 1.00 0.00 C ATOM 284 O LEU A 19 11.932 -4.803 -10.537 1.00 0.00 O ATOM 285 CB LEU A 19 11.924 -7.685 -8.533 1.00 0.00 C ATOM 286 CG LEU A 19 11.688 -8.033 -7.063 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.840 -9.290 -6.941 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.014 -8.210 -6.337 1.00 0.00 C ATOM 0 H LEU A 19 12.778 -4.816 -7.369 1.00 0.00 H new ATOM 0 HA LEU A 19 13.658 -6.420 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.965 -7.708 -9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.543 -8.465 -8.975 1.00 0.00 H new ATOM 0 HG LEU A 19 11.148 -7.209 -6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.683 -9.522 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.877 -9.127 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.352 -10.123 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.827 -8.457 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.580 -9.016 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.586 -7.284 -6.394 1.00 0.00 H new ATOM 300 N SER A 20 12.637 -6.843 -11.175 1.00 0.00 N ATOM 301 CA SER A 20 12.463 -6.578 -12.599 1.00 0.00 C ATOM 302 C SER A 20 10.984 -6.575 -12.974 1.00 0.00 C ATOM 303 O SER A 20 10.134 -7.002 -12.193 1.00 0.00 O ATOM 304 CB SER A 20 13.208 -7.625 -13.429 1.00 0.00 C ATOM 305 OG SER A 20 13.605 -7.095 -14.682 1.00 0.00 O ATOM 0 H SER A 20 12.986 -7.777 -10.959 1.00 0.00 H new ATOM 0 HA SER A 20 12.877 -5.593 -12.813 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.086 -7.970 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.568 -8.493 -13.584 1.00 0.00 H new ATOM 0 HG SER A 20 14.081 -7.783 -15.192 1.00 0.00 H new ATOM 311 N GLU A 21 10.686 -6.089 -14.175 1.00 0.00 N ATOM 312 CA GLU A 21 9.310 -6.028 -14.653 1.00 0.00 C ATOM 313 C GLU A 21 8.712 -7.428 -14.768 1.00 0.00 C ATOM 314 O GLU A 21 7.536 -7.638 -14.469 1.00 0.00 O ATOM 315 CB GLU A 21 9.248 -5.323 -16.009 1.00 0.00 C ATOM 316 CG GLU A 21 10.236 -5.871 -17.026 1.00 0.00 C ATOM 317 CD GLU A 21 10.044 -5.274 -18.406 1.00 0.00 C ATOM 318 OE1 GLU A 21 9.939 -4.034 -18.508 1.00 0.00 O ATOM 319 OE2 GLU A 21 9.999 -6.048 -19.386 1.00 0.00 O ATOM 0 H GLU A 21 11.378 -5.732 -14.834 1.00 0.00 H new ATOM 0 HA GLU A 21 8.726 -5.460 -13.929 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.239 -5.414 -16.410 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.440 -4.260 -15.865 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.252 -5.670 -16.685 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.128 -6.954 -17.085 1.00 0.00 H new ATOM 326 N ASP A 22 9.529 -8.380 -15.203 1.00 0.00 N ATOM 327 CA ASP A 22 9.082 -9.760 -15.358 1.00 0.00 C ATOM 328 C ASP A 22 8.607 -10.329 -14.025 1.00 0.00 C ATOM 329 O ASP A 22 7.665 -11.120 -13.977 1.00 0.00 O ATOM 330 CB ASP A 22 10.211 -10.623 -15.922 1.00 0.00 C ATOM 331 CG ASP A 22 9.693 -11.831 -16.678 1.00 0.00 C ATOM 332 OD1 ASP A 22 8.485 -11.860 -16.994 1.00 0.00 O ATOM 333 OD2 ASP A 22 10.495 -12.747 -16.953 1.00 0.00 O ATOM 0 H ASP A 22 10.505 -8.222 -15.455 1.00 0.00 H new ATOM 0 HA ASP A 22 8.245 -9.770 -16.056 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.829 -10.019 -16.587 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.852 -10.956 -15.106 1.00 0.00 H new ATOM 338 N ASP A 23 9.267 -9.924 -12.945 1.00 0.00 N ATOM 339 CA ASP A 23 8.912 -10.394 -11.611 1.00 0.00 C ATOM 340 C ASP A 23 7.865 -9.485 -10.975 1.00 0.00 C ATOM 341 O ASP A 23 7.369 -8.552 -11.609 1.00 0.00 O ATOM 342 CB ASP A 23 10.155 -10.459 -10.723 1.00 0.00 C ATOM 343 CG ASP A 23 11.190 -11.436 -11.245 1.00 0.00 C ATOM 344 OD1 ASP A 23 10.793 -12.436 -11.880 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.396 -11.202 -11.019 1.00 0.00 O ATOM 0 H ASP A 23 10.051 -9.271 -12.967 1.00 0.00 H new ATOM 0 HA ASP A 23 8.489 -11.394 -11.706 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.600 -9.466 -10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.862 -10.749 -9.714 1.00 0.00 H new ATOM 350 N THR A 24 7.531 -9.763 -9.719 1.00 0.00 N ATOM 351 CA THR A 24 6.541 -8.973 -8.998 1.00 0.00 C ATOM 352 C THR A 24 6.820 -8.976 -7.499 1.00 0.00 C ATOM 353 O THR A 24 7.616 -9.777 -7.008 1.00 0.00 O ATOM 354 CB THR A 24 5.114 -9.499 -9.244 1.00 0.00 C ATOM 355 OG1 THR A 24 5.161 -10.876 -9.637 1.00 0.00 O ATOM 356 CG2 THR A 24 4.415 -8.683 -10.320 1.00 0.00 C ATOM 0 H THR A 24 7.932 -10.530 -9.180 1.00 0.00 H new ATOM 0 HA THR A 24 6.615 -7.953 -9.376 1.00 0.00 H new ATOM 0 HB THR A 24 4.550 -9.405 -8.316 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.502 -11.037 -10.345 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.409 -9.073 -10.476 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.355 -7.641 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.979 -8.749 -11.251 1.00 0.00 H new ATOM 364 N VAL A 25 6.160 -8.077 -6.777 1.00 0.00 N ATOM 365 CA VAL A 25 6.335 -7.978 -5.333 1.00 0.00 C ATOM 366 C VAL A 25 5.984 -9.292 -4.645 1.00 0.00 C ATOM 367 O VAL A 25 6.468 -9.581 -3.550 1.00 0.00 O ATOM 368 CB VAL A 25 5.469 -6.852 -4.738 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.516 -6.888 -3.218 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.923 -5.498 -5.262 1.00 0.00 C ATOM 0 H VAL A 25 5.499 -7.406 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 25 7.386 -7.749 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 25 4.436 -7.009 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.898 -6.085 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.139 -7.848 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.545 -6.757 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.300 -4.714 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.963 -5.330 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.831 -5.479 -6.348 1.00 0.00 H new ATOM 380 N LEU A 26 5.139 -10.086 -5.294 1.00 0.00 N ATOM 381 CA LEU A 26 4.723 -11.372 -4.745 1.00 0.00 C ATOM 382 C LEU A 26 5.927 -12.275 -4.501 1.00 0.00 C ATOM 383 O LEU A 26 5.957 -13.040 -3.537 1.00 0.00 O ATOM 384 CB LEU A 26 3.739 -12.059 -5.694 1.00 0.00 C ATOM 385 CG LEU A 26 4.293 -12.456 -7.063 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.926 -13.838 -7.002 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.195 -12.417 -8.115 1.00 0.00 C ATOM 0 H LEU A 26 4.729 -9.862 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 26 4.230 -11.190 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.359 -12.955 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.889 -11.394 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 26 5.063 -11.738 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.315 -14.104 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.741 -13.833 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.176 -14.569 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.608 -12.702 -9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.402 -13.112 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.787 -11.408 -8.178 1.00 0.00 H new ATOM 399 N ASP A 27 6.919 -12.181 -5.380 1.00 0.00 N ATOM 400 CA ASP A 27 8.128 -12.987 -5.258 1.00 0.00 C ATOM 401 C ASP A 27 8.892 -12.633 -3.987 1.00 0.00 C ATOM 402 O ASP A 27 8.975 -13.435 -3.055 1.00 0.00 O ATOM 403 CB ASP A 27 9.025 -12.787 -6.480 1.00 0.00 C ATOM 404 CG ASP A 27 9.951 -13.963 -6.718 1.00 0.00 C ATOM 405 OD1 ASP A 27 10.085 -14.807 -5.807 1.00 0.00 O ATOM 406 OD2 ASP A 27 10.542 -14.041 -7.815 1.00 0.00 O ATOM 0 H ASP A 27 6.909 -11.554 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 27 7.832 -14.035 -5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.403 -12.634 -7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.618 -11.882 -6.347 1.00 0.00 H new ATOM 411 N LEU A 28 9.450 -11.428 -3.954 1.00 0.00 N ATOM 412 CA LEU A 28 10.209 -10.966 -2.797 1.00 0.00 C ATOM 413 C LEU A 28 9.405 -11.144 -1.513 1.00 0.00 C ATOM 414 O LEU A 28 9.959 -11.451 -0.457 1.00 0.00 O ATOM 415 CB LEU A 28 10.597 -9.497 -2.970 1.00 0.00 C ATOM 416 CG LEU A 28 9.510 -8.472 -2.644 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.561 -8.088 -1.174 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.657 -7.240 -3.525 1.00 0.00 C ATOM 0 H LEU A 28 9.391 -10.752 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 28 11.115 -11.568 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.461 -9.294 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.914 -9.345 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 28 8.539 -8.924 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.780 -7.358 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.405 -8.975 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.535 -7.655 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.875 -6.521 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.633 -6.786 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.568 -7.529 -4.572 1.00 0.00 H new ATOM 430 N LYS A 29 8.094 -10.951 -1.610 1.00 0.00 N ATOM 431 CA LYS A 29 7.211 -11.093 -0.458 1.00 0.00 C ATOM 432 C LYS A 29 7.371 -12.468 0.183 1.00 0.00 C ATOM 433 O LYS A 29 7.561 -12.579 1.394 1.00 0.00 O ATOM 434 CB LYS A 29 5.755 -10.880 -0.876 1.00 0.00 C ATOM 435 CG LYS A 29 5.294 -9.437 -0.761 1.00 0.00 C ATOM 436 CD LYS A 29 3.820 -9.294 -1.101 1.00 0.00 C ATOM 437 CE LYS A 29 3.274 -7.946 -0.657 1.00 0.00 C ATOM 438 NZ LYS A 29 3.025 -7.904 0.811 1.00 0.00 N ATOM 0 H LYS A 29 7.619 -10.695 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 29 7.486 -10.335 0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.629 -11.212 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.113 -11.508 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.471 -9.077 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.885 -8.811 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.681 -9.408 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.255 -10.093 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.980 -7.161 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.346 -7.737 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.267 -6.961 1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.021 -8.101 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.613 -8.620 1.283 1.00 0.00 H new ATOM 452 N GLN A 30 7.294 -13.511 -0.637 1.00 0.00 N ATOM 453 CA GLN A 30 7.431 -14.878 -0.148 1.00 0.00 C ATOM 454 C GLN A 30 8.819 -15.110 0.439 1.00 0.00 C ATOM 455 O GLN A 30 8.988 -15.903 1.365 1.00 0.00 O ATOM 456 CB GLN A 30 7.169 -15.875 -1.278 1.00 0.00 C ATOM 457 CG GLN A 30 5.693 -16.091 -1.570 1.00 0.00 C ATOM 458 CD GLN A 30 5.085 -17.189 -0.721 1.00 0.00 C ATOM 459 OE1 GLN A 30 4.085 -16.976 -0.034 1.00 0.00 O ATOM 460 NE2 GLN A 30 5.686 -18.372 -0.762 1.00 0.00 N ATOM 0 H GLN A 30 7.138 -13.436 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 30 6.693 -15.031 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.662 -15.522 -2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.623 -16.832 -1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.152 -15.161 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.568 -16.340 -2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.512 -18.504 -1.345 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.321 -19.149 -0.210 1.00 0.00 H new ATOM 469 N PHE A 31 9.810 -14.412 -0.105 1.00 0.00 N ATOM 470 CA PHE A 31 11.185 -14.543 0.364 1.00 0.00 C ATOM 471 C PHE A 31 11.363 -13.869 1.721 1.00 0.00 C ATOM 472 O PHE A 31 12.244 -14.237 2.500 1.00 0.00 O ATOM 473 CB PHE A 31 12.153 -13.933 -0.652 1.00 0.00 C ATOM 474 CG PHE A 31 12.650 -14.916 -1.672 1.00 0.00 C ATOM 475 CD1 PHE A 31 13.381 -16.027 -1.285 1.00 0.00 C ATOM 476 CD2 PHE A 31 12.386 -14.729 -3.020 1.00 0.00 C ATOM 477 CE1 PHE A 31 13.839 -16.935 -2.222 1.00 0.00 C ATOM 478 CE2 PHE A 31 12.841 -15.633 -3.961 1.00 0.00 C ATOM 479 CZ PHE A 31 13.570 -16.736 -3.562 1.00 0.00 C ATOM 0 H PHE A 31 9.687 -13.750 -0.871 1.00 0.00 H new ATOM 0 HA PHE A 31 11.406 -15.605 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.657 -13.109 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.006 -13.510 -0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 31 13.596 -16.186 -0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.818 -13.867 -3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.406 -17.798 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.627 -15.477 -5.008 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.929 -17.442 -4.296 1.00 0.00 H new ATOM 489 N LEU A 32 10.520 -12.880 1.999 1.00 0.00 N ATOM 490 CA LEU A 32 10.583 -12.153 3.262 1.00 0.00 C ATOM 491 C LEU A 32 9.945 -12.961 4.387 1.00 0.00 C ATOM 492 O LEU A 32 10.440 -12.974 5.515 1.00 0.00 O ATOM 493 CB LEU A 32 9.883 -10.800 3.130 1.00 0.00 C ATOM 494 CG LEU A 32 10.598 -9.755 2.272 1.00 0.00 C ATOM 495 CD1 LEU A 32 9.864 -8.424 2.330 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.042 -9.591 2.723 1.00 0.00 C ATOM 0 H LEU A 32 9.785 -12.563 1.367 1.00 0.00 H new ATOM 0 HA LEU A 32 11.632 -11.989 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.890 -10.966 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.743 -10.387 4.129 1.00 0.00 H new ATOM 0 HG LEU A 32 10.599 -10.101 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.387 -7.693 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.848 -8.552 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.830 -8.072 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.535 -8.844 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.064 -9.268 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.563 -10.543 2.627 1.00 0.00 H new ATOM 508 N LYS A 33 8.844 -13.636 4.074 1.00 0.00 N ATOM 509 CA LYS A 33 8.139 -14.450 5.056 1.00 0.00 C ATOM 510 C LYS A 33 8.921 -15.721 5.372 1.00 0.00 C ATOM 511 O LYS A 33 8.807 -16.277 6.465 1.00 0.00 O ATOM 512 CB LYS A 33 6.743 -14.810 4.543 1.00 0.00 C ATOM 513 CG LYS A 33 6.753 -15.511 3.195 1.00 0.00 C ATOM 514 CD LYS A 33 5.344 -15.778 2.695 1.00 0.00 C ATOM 515 CE LYS A 33 4.563 -14.485 2.513 1.00 0.00 C ATOM 516 NZ LYS A 33 3.355 -14.681 1.665 1.00 0.00 N ATOM 0 H LYS A 33 8.420 -13.635 3.146 1.00 0.00 H new ATOM 0 HA LYS A 33 8.043 -13.867 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.251 -15.452 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.148 -13.900 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.288 -14.898 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.295 -16.453 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.389 -16.314 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.822 -16.423 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.264 -14.101 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.207 -13.732 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.174 -13.818 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.512 -15.479 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.534 -14.883 2.271 1.00 0.00 H new ATOM 530 N THR A 34 9.715 -16.176 4.408 1.00 0.00 N ATOM 531 CA THR A 34 10.516 -17.381 4.583 1.00 0.00 C ATOM 532 C THR A 34 11.875 -17.055 5.192 1.00 0.00 C ATOM 533 O THR A 34 12.456 -17.868 5.912 1.00 0.00 O ATOM 534 CB THR A 34 10.728 -18.114 3.245 1.00 0.00 C ATOM 535 OG1 THR A 34 11.220 -17.200 2.258 1.00 0.00 O ATOM 536 CG2 THR A 34 9.430 -18.742 2.760 1.00 0.00 C ATOM 0 H THR A 34 9.820 -15.728 3.498 1.00 0.00 H new ATOM 0 HA THR A 34 9.964 -18.031 5.262 1.00 0.00 H new ATOM 0 HB THR A 34 11.460 -18.906 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.472 -16.690 1.883 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.605 -19.254 1.814 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.074 -19.459 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.680 -17.964 2.618 1.00 0.00 H new ATOM 544 N LEU A 35 12.377 -15.860 4.900 1.00 0.00 N ATOM 545 CA LEU A 35 13.669 -15.425 5.420 1.00 0.00 C ATOM 546 C LEU A 35 13.522 -14.833 6.818 1.00 0.00 C ATOM 547 O LEU A 35 14.283 -15.163 7.728 1.00 0.00 O ATOM 548 CB LEU A 35 14.298 -14.395 4.480 1.00 0.00 C ATOM 549 CG LEU A 35 15.616 -13.776 4.949 1.00 0.00 C ATOM 550 CD1 LEU A 35 16.795 -14.447 4.262 1.00 0.00 C ATOM 551 CD2 LEU A 35 15.624 -12.277 4.685 1.00 0.00 C ATOM 0 H LEU A 35 11.909 -15.175 4.306 1.00 0.00 H new ATOM 0 HA LEU A 35 14.321 -16.297 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.466 -14.870 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.579 -13.592 4.320 1.00 0.00 H new ATOM 0 HG LEU A 35 15.709 -13.936 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.724 -13.994 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 35 16.799 -15.510 4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.709 -14.319 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.569 -11.853 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.508 -12.095 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.801 -11.808 5.224 1.00 0.00 H new ATOM 563 N THR A 36 12.536 -13.956 6.983 1.00 0.00 N ATOM 564 CA THR A 36 12.288 -13.318 8.269 1.00 0.00 C ATOM 565 C THR A 36 11.013 -13.852 8.911 1.00 0.00 C ATOM 566 O THR A 36 10.964 -14.086 10.117 1.00 0.00 O ATOM 567 CB THR A 36 12.176 -11.789 8.126 1.00 0.00 C ATOM 568 OG1 THR A 36 10.819 -11.420 7.857 1.00 0.00 O ATOM 569 CG2 THR A 36 13.075 -11.283 7.007 1.00 0.00 C ATOM 0 H THR A 36 11.896 -13.672 6.241 1.00 0.00 H new ATOM 0 HA THR A 36 13.139 -13.554 8.908 1.00 0.00 H new ATOM 0 HB THR A 36 12.497 -11.334 9.063 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.525 -11.842 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.979 -10.200 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.111 -11.540 7.228 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.780 -11.746 6.065 1.00 0.00 H new ATOM 577 N GLY A 37 9.980 -14.043 8.095 1.00 0.00 N ATOM 578 CA GLY A 37 8.718 -14.549 8.601 1.00 0.00 C ATOM 579 C GLY A 37 8.232 -13.783 9.816 1.00 0.00 C ATOM 580 O GLY A 37 7.539 -14.335 10.671 1.00 0.00 O ATOM 0 H GLY A 37 9.995 -13.856 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.966 -14.492 7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.830 -15.602 8.860 1.00 0.00 H new ATOM 584 N VAL A 38 8.597 -12.507 9.894 1.00 0.00 N ATOM 585 CA VAL A 38 8.194 -11.664 11.013 1.00 0.00 C ATOM 586 C VAL A 38 7.362 -10.478 10.537 1.00 0.00 C ATOM 587 O VAL A 38 6.542 -9.942 11.282 1.00 0.00 O ATOM 588 CB VAL A 38 9.417 -11.140 11.789 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.234 -10.194 10.923 1.00 0.00 C ATOM 590 CG2 VAL A 38 8.978 -10.454 13.074 1.00 0.00 C ATOM 0 H VAL A 38 9.171 -12.035 9.195 1.00 0.00 H new ATOM 0 HA VAL A 38 7.590 -12.285 11.675 1.00 0.00 H new ATOM 0 HB VAL A 38 10.048 -11.988 12.054 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.094 -9.834 11.488 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.579 -10.721 10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.615 -9.347 10.625 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.855 -10.090 13.610 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.325 -9.615 12.834 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.439 -11.165 13.700 1.00 0.00 H new ATOM 600 N LEU A 39 7.578 -10.074 9.290 1.00 0.00 N ATOM 601 CA LEU A 39 6.847 -8.951 8.712 1.00 0.00 C ATOM 602 C LEU A 39 5.344 -9.204 8.748 1.00 0.00 C ATOM 603 O LEU A 39 4.560 -8.370 9.203 1.00 0.00 O ATOM 604 CB LEU A 39 7.301 -8.710 7.271 1.00 0.00 C ATOM 605 CG LEU A 39 8.798 -8.871 7.003 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.144 -8.387 5.603 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.611 -8.118 8.046 1.00 0.00 C ATOM 0 H LEU A 39 8.253 -10.507 8.660 1.00 0.00 H new ATOM 0 HA LEU A 39 7.062 -8.064 9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.760 -9.398 6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.007 -7.701 6.983 1.00 0.00 H new ATOM 0 HG LEU A 39 9.048 -9.930 7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.213 -8.509 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.588 -8.970 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.879 -7.334 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.674 -8.244 7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.357 -7.059 8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.385 -8.511 9.037 1.00 0.00 H new ATOM 619 N PRO A 40 4.929 -10.382 8.260 1.00 0.00 N ATOM 620 CA PRO A 40 3.517 -10.773 8.228 1.00 0.00 C ATOM 621 C PRO A 40 2.958 -11.043 9.621 1.00 0.00 C ATOM 622 O PRO A 40 1.756 -11.243 9.788 1.00 0.00 O ATOM 623 CB PRO A 40 3.523 -12.059 7.396 1.00 0.00 C ATOM 624 CG PRO A 40 4.896 -12.612 7.566 1.00 0.00 C ATOM 625 CD PRO A 40 5.808 -11.424 7.702 1.00 0.00 C ATOM 0 HA PRO A 40 2.886 -9.985 7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.767 -12.761 7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.306 -11.854 6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.953 -13.250 8.448 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.179 -13.225 6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.649 -11.636 8.362 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.225 -11.125 6.740 1.00 0.00 H new ATOM 633 N GLU A 41 3.839 -11.046 10.616 1.00 0.00 N ATOM 634 CA GLU A 41 3.431 -11.291 11.995 1.00 0.00 C ATOM 635 C GLU A 41 3.409 -9.992 12.795 1.00 0.00 C ATOM 636 O GLU A 41 2.343 -9.452 13.092 1.00 0.00 O ATOM 637 CB GLU A 41 4.377 -12.295 12.658 1.00 0.00 C ATOM 638 CG GLU A 41 4.363 -13.667 12.005 1.00 0.00 C ATOM 639 CD GLU A 41 4.958 -14.742 12.894 1.00 0.00 C ATOM 640 OE1 GLU A 41 4.944 -14.565 14.130 1.00 0.00 O ATOM 641 OE2 GLU A 41 5.437 -15.760 12.352 1.00 0.00 O ATOM 0 H GLU A 41 4.838 -10.882 10.494 1.00 0.00 H new ATOM 0 HA GLU A 41 2.423 -11.706 11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.392 -11.899 12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.105 -12.399 13.708 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.337 -13.935 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.920 -13.626 11.069 1.00 0.00 H new ATOM 648 N ARG A 42 4.593 -9.496 13.140 1.00 0.00 N ATOM 649 CA ARG A 42 4.710 -8.261 13.907 1.00 0.00 C ATOM 650 C ARG A 42 5.906 -7.440 13.436 1.00 0.00 C ATOM 651 O ARG A 42 7.056 -7.832 13.632 1.00 0.00 O ATOM 652 CB ARG A 42 4.847 -8.574 15.399 1.00 0.00 C ATOM 653 CG ARG A 42 3.933 -9.691 15.874 1.00 0.00 C ATOM 654 CD ARG A 42 4.081 -9.935 17.367 1.00 0.00 C ATOM 655 NE ARG A 42 5.324 -10.632 17.687 1.00 0.00 N ATOM 656 CZ ARG A 42 5.819 -10.726 18.916 1.00 0.00 C ATOM 657 NH1 ARG A 42 5.179 -10.171 19.936 1.00 0.00 N ATOM 658 NH2 ARG A 42 6.956 -11.378 19.127 1.00 0.00 N ATOM 0 H ARG A 42 5.484 -9.930 12.901 1.00 0.00 H new ATOM 0 HA ARG A 42 3.805 -7.676 13.747 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.881 -8.847 15.611 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.632 -7.672 15.972 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.898 -9.437 15.647 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.163 -10.607 15.330 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.054 -8.982 17.895 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.234 -10.521 17.724 1.00 0.00 H new ATOM 0 HE ARG A 42 5.840 -11.071 16.925 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.304 -9.670 19.778 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.561 -10.245 20.879 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.450 -11.807 18.345 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.335 -11.450 20.071 1.00 0.00 H new ATOM 672 N GLN A 43 5.626 -6.299 12.814 1.00 0.00 N ATOM 673 CA GLN A 43 6.679 -5.424 12.314 1.00 0.00 C ATOM 674 C GLN A 43 6.469 -3.991 12.793 1.00 0.00 C ATOM 675 O GLN A 43 5.457 -3.676 13.419 1.00 0.00 O ATOM 676 CB GLN A 43 6.720 -5.462 10.785 1.00 0.00 C ATOM 677 CG GLN A 43 5.645 -4.612 10.127 1.00 0.00 C ATOM 678 CD GLN A 43 4.243 -5.049 10.504 1.00 0.00 C ATOM 679 OE1 GLN A 43 3.613 -4.303 11.404 1.00 0.00 O flip ATOM 680 NE2 GLN A 43 3.732 -6.045 9.992 1.00 0.00 N flip ATOM 0 H GLN A 43 4.679 -5.959 12.645 1.00 0.00 H new ATOM 0 HA GLN A 43 7.631 -5.783 12.705 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.699 -5.121 10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.610 -6.494 10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.786 -3.570 10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.759 -4.664 9.044 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.253 -6.589 9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.788 -6.326 10.255 1.00 0.00 H new ATOM 689 N LYS A 44 7.433 -3.126 12.497 1.00 0.00 N ATOM 690 CA LYS A 44 7.355 -1.726 12.896 1.00 0.00 C ATOM 691 C LYS A 44 8.019 -0.826 11.859 1.00 0.00 C ATOM 692 O LYS A 44 8.542 0.239 12.189 1.00 0.00 O ATOM 693 CB LYS A 44 8.020 -1.526 14.260 1.00 0.00 C ATOM 694 CG LYS A 44 7.119 -1.873 15.433 1.00 0.00 C ATOM 695 CD LYS A 44 7.850 -1.738 16.757 1.00 0.00 C ATOM 696 CE LYS A 44 7.883 -0.293 17.231 1.00 0.00 C ATOM 697 NZ LYS A 44 6.695 0.045 18.064 1.00 0.00 N ATOM 0 H LYS A 44 8.278 -3.370 11.981 1.00 0.00 H new ATOM 0 HA LYS A 44 6.302 -1.453 12.967 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.920 -2.140 14.310 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.337 -0.487 14.351 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.247 -1.218 15.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.752 -2.893 15.322 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.361 -2.357 17.509 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.869 -2.111 16.651 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.792 -0.121 17.808 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.922 0.372 16.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.755 1.038 18.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.829 -0.095 17.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.671 -0.572 18.901 1.00 0.00 H new ATOM 711 N LEU A 45 7.994 -1.261 10.603 1.00 0.00 N ATOM 712 CA LEU A 45 8.593 -0.493 9.516 1.00 0.00 C ATOM 713 C LEU A 45 8.090 0.947 9.526 1.00 0.00 C ATOM 714 O LEU A 45 6.972 1.223 9.963 1.00 0.00 O ATOM 715 CB LEU A 45 8.277 -1.147 8.170 1.00 0.00 C ATOM 716 CG LEU A 45 9.106 -2.381 7.812 1.00 0.00 C ATOM 717 CD1 LEU A 45 8.360 -3.652 8.187 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.450 -2.380 6.330 1.00 0.00 C ATOM 0 H LEU A 45 7.566 -2.140 10.313 1.00 0.00 H new ATOM 0 HA LEU A 45 9.673 -0.482 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.224 -1.427 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.414 -0.402 7.386 1.00 0.00 H new ATOM 0 HG LEU A 45 10.035 -2.349 8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.965 -4.520 7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.165 -3.656 9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.415 -3.692 7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.040 -3.265 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.531 -2.388 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.025 -1.486 6.091 1.00 0.00 H new ATOM 730 N LEU A 46 8.922 1.861 9.039 1.00 0.00 N ATOM 731 CA LEU A 46 8.561 3.274 8.989 1.00 0.00 C ATOM 732 C LEU A 46 8.306 3.720 7.553 1.00 0.00 C ATOM 733 O LEU A 46 8.560 4.870 7.195 1.00 0.00 O ATOM 734 CB LEU A 46 9.670 4.126 9.610 1.00 0.00 C ATOM 735 CG LEU A 46 11.102 3.662 9.343 1.00 0.00 C ATOM 736 CD1 LEU A 46 11.348 3.522 7.849 1.00 0.00 C ATOM 737 CD2 LEU A 46 12.100 4.630 9.961 1.00 0.00 C ATOM 0 H LEU A 46 9.850 1.650 8.673 1.00 0.00 H new ATOM 0 HA LEU A 46 7.643 3.410 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.566 5.147 9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.515 4.158 10.688 1.00 0.00 H new ATOM 0 HG LEU A 46 11.239 2.685 9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.372 3.191 7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.656 2.790 7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.192 4.485 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.114 4.284 9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.962 5.621 9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.939 4.680 11.038 1.00 0.00 H new ATOM 749 N GLY A 47 7.800 2.803 6.734 1.00 0.00 N ATOM 750 CA GLY A 47 7.517 3.121 5.347 1.00 0.00 C ATOM 751 C GLY A 47 6.847 1.976 4.614 1.00 0.00 C ATOM 752 O GLY A 47 5.636 1.780 4.728 1.00 0.00 O ATOM 0 H GLY A 47 7.581 1.845 7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.876 4.001 5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.447 3.378 4.840 1.00 0.00 H new ATOM 756 N LEU A 48 7.634 1.219 3.858 1.00 0.00 N ATOM 757 CA LEU A 48 7.110 0.087 3.101 1.00 0.00 C ATOM 758 C LEU A 48 6.585 -0.997 4.037 1.00 0.00 C ATOM 759 O LEU A 48 7.061 -1.146 5.162 1.00 0.00 O ATOM 760 CB LEU A 48 8.196 -0.490 2.191 1.00 0.00 C ATOM 761 CG LEU A 48 7.883 -1.842 1.548 1.00 0.00 C ATOM 762 CD1 LEU A 48 8.432 -1.897 0.130 1.00 0.00 C ATOM 763 CD2 LEU A 48 8.451 -2.977 2.387 1.00 0.00 C ATOM 0 H LEU A 48 8.638 1.368 3.753 1.00 0.00 H new ATOM 0 HA LEU A 48 6.283 0.443 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.397 0.230 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.113 -0.590 2.771 1.00 0.00 H new ATOM 0 HG LEU A 48 6.800 -1.959 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.200 -2.866 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.977 -1.107 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.513 -1.758 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.218 -3.931 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.532 -2.865 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.010 -2.949 3.383 1.00 0.00 H new ATOM 775 N LYS A 49 5.601 -1.754 3.563 1.00 0.00 N ATOM 776 CA LYS A 49 5.012 -2.828 4.355 1.00 0.00 C ATOM 777 C LYS A 49 4.364 -2.278 5.621 1.00 0.00 C ATOM 778 O LYS A 49 4.880 -2.458 6.724 1.00 0.00 O ATOM 779 CB LYS A 49 6.079 -3.862 4.723 1.00 0.00 C ATOM 780 CG LYS A 49 6.166 -5.021 3.745 1.00 0.00 C ATOM 781 CD LYS A 49 5.178 -6.121 4.095 1.00 0.00 C ATOM 782 CE LYS A 49 5.687 -7.486 3.657 1.00 0.00 C ATOM 783 NZ LYS A 49 6.111 -7.488 2.229 1.00 0.00 N ATOM 0 H LYS A 49 5.194 -1.644 2.634 1.00 0.00 H new ATOM 0 HA LYS A 49 4.241 -3.309 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.049 -3.368 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.867 -4.253 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.969 -4.662 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.178 -5.425 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.002 -6.125 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.220 -5.918 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.528 -7.779 4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.904 -8.230 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.355 -8.457 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.333 -7.136 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.941 -6.873 2.113 1.00 0.00 H new ATOM 797 N VAL A 50 3.228 -1.608 5.455 1.00 0.00 N ATOM 798 CA VAL A 50 2.507 -1.033 6.585 1.00 0.00 C ATOM 799 C VAL A 50 1.435 -1.989 7.096 1.00 0.00 C ATOM 800 O VAL A 50 0.795 -2.696 6.317 1.00 0.00 O ATOM 801 CB VAL A 50 1.848 0.307 6.208 1.00 0.00 C ATOM 802 CG1 VAL A 50 0.955 0.138 4.988 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.058 0.861 7.385 1.00 0.00 C ATOM 0 H VAL A 50 2.787 -1.450 4.549 1.00 0.00 H new ATOM 0 HA VAL A 50 3.240 -0.859 7.373 1.00 0.00 H new ATOM 0 HB VAL A 50 2.633 1.021 5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.498 1.095 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.552 -0.212 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.174 -0.591 5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.599 1.808 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.281 0.151 7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.728 1.021 8.230 1.00 0.00 H new ATOM 813 N LYS A 51 1.242 -2.005 8.411 1.00 0.00 N ATOM 814 CA LYS A 51 0.245 -2.873 9.027 1.00 0.00 C ATOM 815 C LYS A 51 -1.165 -2.360 8.755 1.00 0.00 C ATOM 816 O LYS A 51 -1.371 -1.167 8.534 1.00 0.00 O ATOM 817 CB LYS A 51 0.483 -2.965 10.536 1.00 0.00 C ATOM 818 CG LYS A 51 0.086 -1.709 11.293 1.00 0.00 C ATOM 819 CD LYS A 51 0.476 -1.794 12.759 1.00 0.00 C ATOM 820 CE LYS A 51 0.199 -0.487 13.486 1.00 0.00 C ATOM 821 NZ LYS A 51 -1.211 -0.043 13.311 1.00 0.00 N ATOM 0 H LYS A 51 1.763 -1.427 9.070 1.00 0.00 H new ATOM 0 HA LYS A 51 0.342 -3.866 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.078 -3.811 10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.538 -3.170 10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.565 -0.842 10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.990 -1.558 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.077 -2.602 13.238 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.535 -2.040 12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.412 -0.610 14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.872 0.285 13.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.422 0.718 13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.347 0.308 12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.851 -0.845 13.481 1.00 0.00 H new ATOM 835 N GLY A 52 -2.135 -3.270 8.774 1.00 0.00 N ATOM 836 CA GLY A 52 -3.514 -2.890 8.529 1.00 0.00 C ATOM 837 C GLY A 52 -3.781 -2.586 7.068 1.00 0.00 C ATOM 838 O GLY A 52 -4.874 -2.150 6.706 1.00 0.00 O ATOM 0 H GLY A 52 -1.990 -4.263 8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.173 -3.695 8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.758 -2.014 9.130 1.00 0.00 H new ATOM 842 N LYS A 53 -2.780 -2.816 6.225 1.00 0.00 N ATOM 843 CA LYS A 53 -2.910 -2.564 4.795 1.00 0.00 C ATOM 844 C LYS A 53 -1.620 -2.914 4.061 1.00 0.00 C ATOM 845 O LYS A 53 -0.862 -2.041 3.637 1.00 0.00 O ATOM 846 CB LYS A 53 -3.270 -1.098 4.545 1.00 0.00 C ATOM 847 CG LYS A 53 -2.475 -0.123 5.396 1.00 0.00 C ATOM 848 CD LYS A 53 -2.331 1.226 4.711 1.00 0.00 C ATOM 849 CE LYS A 53 -2.005 2.326 5.709 1.00 0.00 C ATOM 850 NZ LYS A 53 -2.242 3.681 5.138 1.00 0.00 N ATOM 0 H LYS A 53 -1.869 -3.177 6.508 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.709 -3.198 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.106 -0.867 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.333 -0.955 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.969 0.008 6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.487 -0.537 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.544 1.171 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.256 1.470 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.614 2.197 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.963 2.239 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.008 4.403 5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.642 3.814 4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.242 3.773 4.867 1.00 0.00 H new ATOM 864 N PRO A 54 -1.362 -4.221 3.906 1.00 0.00 N ATOM 865 CA PRO A 54 -0.164 -4.716 3.221 1.00 0.00 C ATOM 866 C PRO A 54 -0.200 -4.445 1.721 1.00 0.00 C ATOM 867 O PRO A 54 -1.272 -4.344 1.125 1.00 0.00 O ATOM 868 CB PRO A 54 -0.196 -6.222 3.493 1.00 0.00 C ATOM 869 CG PRO A 54 -1.634 -6.534 3.726 1.00 0.00 C ATOM 870 CD PRO A 54 -2.220 -5.317 4.386 1.00 0.00 C ATOM 0 HA PRO A 54 0.741 -4.224 3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.200 -6.785 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.411 -6.481 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.143 -6.752 2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.745 -7.413 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.261 -5.167 4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.197 -5.399 5.473 1.00 0.00 H new ATOM 878 N ALA A 55 0.978 -4.328 1.117 1.00 0.00 N ATOM 879 CA ALA A 55 1.080 -4.071 -0.314 1.00 0.00 C ATOM 880 C ALA A 55 0.329 -5.127 -1.117 1.00 0.00 C ATOM 881 O ALA A 55 -0.251 -6.054 -0.551 1.00 0.00 O ATOM 882 CB ALA A 55 2.541 -4.023 -0.739 1.00 0.00 C ATOM 0 H ALA A 55 1.875 -4.407 1.596 1.00 0.00 H new ATOM 0 HA ALA A 55 0.621 -3.103 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.602 -3.830 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.052 -3.227 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.017 -4.978 -0.514 1.00 0.00 H new ATOM 888 N GLU A 56 0.343 -4.981 -2.438 1.00 0.00 N ATOM 889 CA GLU A 56 -0.340 -5.923 -3.318 1.00 0.00 C ATOM 890 C GLU A 56 0.657 -6.649 -4.216 1.00 0.00 C ATOM 891 O GLU A 56 1.747 -6.145 -4.486 1.00 0.00 O ATOM 892 CB GLU A 56 -1.378 -5.195 -4.174 1.00 0.00 C ATOM 893 CG GLU A 56 -2.408 -6.121 -4.800 1.00 0.00 C ATOM 894 CD GLU A 56 -3.710 -5.413 -5.120 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.656 -4.289 -5.662 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.783 -5.982 -4.828 1.00 0.00 O ATOM 0 H GLU A 56 0.819 -4.220 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.846 -6.661 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.892 -4.457 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.865 -4.648 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.998 -6.550 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.607 -6.950 -4.120 1.00 0.00 H new ATOM 903 N ASN A 57 0.276 -7.837 -4.675 1.00 0.00 N ATOM 904 CA ASN A 57 1.137 -8.634 -5.542 1.00 0.00 C ATOM 905 C ASN A 57 1.246 -8.004 -6.927 1.00 0.00 C ATOM 906 O ASN A 57 2.301 -8.050 -7.559 1.00 0.00 O ATOM 907 CB ASN A 57 0.597 -10.060 -5.659 1.00 0.00 C ATOM 908 CG ASN A 57 -0.871 -10.094 -6.041 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.218 -10.017 -7.220 1.00 0.00 O ATOM 910 ND2 ASN A 57 -1.739 -10.208 -5.044 1.00 0.00 N ATOM 0 H ASN A 57 -0.623 -8.269 -4.461 1.00 0.00 H new ATOM 0 HA ASN A 57 2.132 -8.665 -5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.176 -10.605 -6.405 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.734 -10.577 -4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.740 -10.235 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.406 -10.269 -4.082 1.00 0.00 H new ATOM 917 N ASP A 58 0.150 -7.415 -7.391 1.00 0.00 N ATOM 918 CA ASP A 58 0.122 -6.774 -8.701 1.00 0.00 C ATOM 919 C ASP A 58 1.253 -5.759 -8.833 1.00 0.00 C ATOM 920 O ASP A 58 1.730 -5.484 -9.934 1.00 0.00 O ATOM 921 CB ASP A 58 -1.226 -6.087 -8.928 1.00 0.00 C ATOM 922 CG ASP A 58 -1.593 -6.005 -10.397 1.00 0.00 C ATOM 923 OD1 ASP A 58 -1.192 -6.908 -11.160 1.00 0.00 O ATOM 924 OD2 ASP A 58 -2.284 -5.039 -10.782 1.00 0.00 O ATOM 0 H ASP A 58 -0.731 -7.368 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 58 0.260 -7.545 -9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.003 -6.632 -8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.194 -5.082 -8.508 1.00 0.00 H new ATOM 929 N VAL A 59 1.677 -5.202 -7.702 1.00 0.00 N ATOM 930 CA VAL A 59 2.751 -4.217 -7.691 1.00 0.00 C ATOM 931 C VAL A 59 3.983 -4.739 -8.421 1.00 0.00 C ATOM 932 O VAL A 59 4.457 -5.843 -8.152 1.00 0.00 O ATOM 933 CB VAL A 59 3.145 -3.833 -6.252 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.283 -2.823 -6.261 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.942 -3.286 -5.498 1.00 0.00 C ATOM 0 H VAL A 59 1.292 -5.417 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 59 2.375 -3.333 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 59 3.491 -4.729 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.548 -2.564 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.150 -3.256 -6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.968 -1.925 -6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.239 -3.020 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.564 -2.401 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.160 -4.045 -5.460 1.00 0.00 H new ATOM 945 N LYS A 60 4.499 -3.938 -9.347 1.00 0.00 N ATOM 946 CA LYS A 60 5.678 -4.316 -10.117 1.00 0.00 C ATOM 947 C LYS A 60 6.480 -3.085 -10.525 1.00 0.00 C ATOM 948 O LYS A 60 6.012 -1.954 -10.389 1.00 0.00 O ATOM 949 CB LYS A 60 5.267 -5.106 -11.362 1.00 0.00 C ATOM 950 CG LYS A 60 4.068 -4.519 -12.087 1.00 0.00 C ATOM 951 CD LYS A 60 4.480 -3.828 -13.376 1.00 0.00 C ATOM 952 CE LYS A 60 4.539 -4.807 -14.539 1.00 0.00 C ATOM 953 NZ LYS A 60 4.209 -4.150 -15.834 1.00 0.00 N ATOM 0 H LYS A 60 4.118 -3.021 -9.583 1.00 0.00 H new ATOM 0 HA LYS A 60 6.307 -4.944 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.111 -5.149 -12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.039 -6.132 -11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.353 -5.311 -12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.561 -3.806 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.772 -3.031 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.455 -3.360 -13.243 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.536 -5.243 -14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.843 -5.626 -14.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.260 -4.850 -16.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.248 -3.756 -15.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.888 -3.384 -16.018 1.00 0.00 H new ATOM 967 N LEU A 61 7.689 -3.312 -11.026 1.00 0.00 N ATOM 968 CA LEU A 61 8.556 -2.220 -11.456 1.00 0.00 C ATOM 969 C LEU A 61 7.824 -1.289 -12.417 1.00 0.00 C ATOM 970 O LEU A 61 7.744 -0.083 -12.189 1.00 0.00 O ATOM 971 CB LEU A 61 9.815 -2.775 -12.125 1.00 0.00 C ATOM 972 CG LEU A 61 10.806 -1.739 -12.655 1.00 0.00 C ATOM 973 CD1 LEU A 61 10.388 -1.257 -14.035 1.00 0.00 C ATOM 974 CD2 LEU A 61 10.919 -0.567 -11.690 1.00 0.00 C ATOM 0 H LEU A 61 8.091 -4.242 -11.145 1.00 0.00 H new ATOM 0 HA LEU A 61 8.843 -1.648 -10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.334 -3.410 -11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.510 -3.414 -12.954 1.00 0.00 H new ATOM 0 HG LEU A 61 11.785 -2.211 -12.739 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.106 -0.520 -14.396 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.359 -2.102 -14.722 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.399 -0.803 -13.978 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.629 0.161 -12.083 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.943 -0.096 -11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.266 -0.926 -10.721 1.00 0.00 H new ATOM 986 N GLY A 62 7.289 -1.859 -13.493 1.00 0.00 N ATOM 987 CA GLY A 62 6.569 -1.066 -14.471 1.00 0.00 C ATOM 988 C GLY A 62 5.421 -0.289 -13.857 1.00 0.00 C ATOM 989 O GLY A 62 4.935 0.679 -14.440 1.00 0.00 O ATOM 0 H GLY A 62 7.342 -2.856 -13.704 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.259 -0.371 -14.949 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.183 -1.721 -15.252 1.00 0.00 H new ATOM 993 N ALA A 63 4.985 -0.716 -12.676 1.00 0.00 N ATOM 994 CA ALA A 63 3.887 -0.054 -11.982 1.00 0.00 C ATOM 995 C ALA A 63 4.382 1.162 -11.207 1.00 0.00 C ATOM 996 O ALA A 63 4.001 2.296 -11.502 1.00 0.00 O ATOM 997 CB ALA A 63 3.189 -1.030 -11.047 1.00 0.00 C ATOM 0 H ALA A 63 5.375 -1.517 -12.180 1.00 0.00 H new ATOM 0 HA ALA A 63 3.172 0.290 -12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.371 -0.522 -10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.793 -1.866 -11.623 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.902 -1.402 -10.311 1.00 0.00 H new ATOM 1003 N LEU A 64 5.231 0.920 -10.215 1.00 0.00 N ATOM 1004 CA LEU A 64 5.778 1.997 -9.396 1.00 0.00 C ATOM 1005 C LEU A 64 6.838 2.780 -10.164 1.00 0.00 C ATOM 1006 O LEU A 64 6.717 3.991 -10.352 1.00 0.00 O ATOM 1007 CB LEU A 64 6.379 1.431 -8.109 1.00 0.00 C ATOM 1008 CG LEU A 64 5.655 0.228 -7.503 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.561 -0.993 -7.496 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.177 0.548 -6.094 1.00 0.00 C ATOM 0 H LEU A 64 5.556 -0.012 -9.958 1.00 0.00 H new ATOM 0 HA LEU A 64 4.964 2.676 -9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.412 1.145 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.407 2.226 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 64 4.784 0.004 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.028 -1.839 -7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.854 -1.235 -8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.452 -0.782 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.664 -0.319 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.033 0.798 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.491 1.394 -6.126 1.00 0.00 H new ATOM 1022 N LYS A 65 7.877 2.080 -10.608 1.00 0.00 N ATOM 1023 CA LYS A 65 8.958 2.708 -11.359 1.00 0.00 C ATOM 1024 C LYS A 65 9.715 3.708 -10.490 1.00 0.00 C ATOM 1025 O LYS A 65 10.179 4.741 -10.976 1.00 0.00 O ATOM 1026 CB LYS A 65 8.404 3.411 -12.600 1.00 0.00 C ATOM 1027 CG LYS A 65 7.478 2.539 -13.430 1.00 0.00 C ATOM 1028 CD LYS A 65 6.577 3.375 -14.324 1.00 0.00 C ATOM 1029 CE LYS A 65 7.382 4.162 -15.346 1.00 0.00 C ATOM 1030 NZ LYS A 65 8.135 3.267 -16.268 1.00 0.00 N ATOM 0 H LYS A 65 7.993 1.077 -10.461 1.00 0.00 H new ATOM 0 HA LYS A 65 9.651 1.927 -11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.865 4.306 -12.290 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.236 3.739 -13.223 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.070 1.859 -14.042 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.867 1.924 -12.769 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.869 2.725 -14.839 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.992 4.062 -13.713 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.712 4.798 -15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.080 4.821 -14.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.504 3.822 -17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.927 2.828 -15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.501 2.525 -16.626 1.00 0.00 H new ATOM 1044 N LEU A 66 9.837 3.395 -9.205 1.00 0.00 N ATOM 1045 CA LEU A 66 10.540 4.266 -8.269 1.00 0.00 C ATOM 1046 C LEU A 66 12.017 3.897 -8.186 1.00 0.00 C ATOM 1047 O LEU A 66 12.482 2.991 -8.878 1.00 0.00 O ATOM 1048 CB LEU A 66 9.901 4.177 -6.882 1.00 0.00 C ATOM 1049 CG LEU A 66 8.941 5.308 -6.511 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.776 4.773 -5.693 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.675 6.400 -5.747 1.00 0.00 C ATOM 0 H LEU A 66 9.459 2.545 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 66 10.461 5.290 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.362 3.232 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.697 4.145 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 66 8.544 5.739 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.104 5.592 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.235 4.027 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.153 4.316 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.977 7.197 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.100 5.983 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.475 6.804 -6.368 1.00 0.00 H new ATOM 1063 N LYS A 67 12.751 4.603 -7.333 1.00 0.00 N ATOM 1064 CA LYS A 67 14.176 4.349 -7.155 1.00 0.00 C ATOM 1065 C LYS A 67 14.471 3.879 -5.734 1.00 0.00 C ATOM 1066 O LYS A 67 13.736 4.174 -4.792 1.00 0.00 O ATOM 1067 CB LYS A 67 14.983 5.611 -7.464 1.00 0.00 C ATOM 1068 CG LYS A 67 14.807 6.713 -6.434 1.00 0.00 C ATOM 1069 CD LYS A 67 15.309 8.049 -6.955 1.00 0.00 C ATOM 1070 CE LYS A 67 16.818 8.041 -7.149 1.00 0.00 C ATOM 1071 NZ LYS A 67 17.222 8.771 -8.382 1.00 0.00 N ATOM 0 H LYS A 67 12.382 5.357 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 67 14.468 3.560 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.039 5.350 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.689 5.990 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.754 6.798 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.346 6.451 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.821 8.278 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.035 8.839 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.298 8.497 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.172 7.011 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.257 8.743 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.785 8.321 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.907 9.760 -8.319 1.00 0.00 H new ATOM 1085 N PRO A 68 15.574 3.132 -5.574 1.00 0.00 N ATOM 1086 CA PRO A 68 15.993 2.608 -4.271 1.00 0.00 C ATOM 1087 C PRO A 68 16.483 3.707 -3.334 1.00 0.00 C ATOM 1088 O PRO A 68 16.672 3.479 -2.140 1.00 0.00 O ATOM 1089 CB PRO A 68 17.138 1.655 -4.623 1.00 0.00 C ATOM 1090 CG PRO A 68 17.675 2.169 -5.915 1.00 0.00 C ATOM 1091 CD PRO A 68 16.497 2.742 -6.653 1.00 0.00 C ATOM 0 HA PRO A 68 15.170 2.129 -3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 68 17.905 1.654 -3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.783 0.629 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.437 2.929 -5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.144 1.370 -6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.784 3.597 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.046 2.008 -7.322 1.00 0.00 H new ATOM 1099 N ASN A 69 16.686 4.900 -3.884 1.00 0.00 N ATOM 1100 CA ASN A 69 17.155 6.034 -3.097 1.00 0.00 C ATOM 1101 C ASN A 69 16.235 6.288 -1.907 1.00 0.00 C ATOM 1102 O ASN A 69 16.646 6.868 -0.902 1.00 0.00 O ATOM 1103 CB ASN A 69 17.235 7.289 -3.970 1.00 0.00 C ATOM 1104 CG ASN A 69 18.064 8.386 -3.331 1.00 0.00 C ATOM 1105 OD1 ASN A 69 19.043 8.114 -2.635 1.00 0.00 O ATOM 1106 ND2 ASN A 69 17.675 9.634 -3.564 1.00 0.00 N ATOM 0 H ASN A 69 16.533 5.106 -4.871 1.00 0.00 H new ATOM 0 HA ASN A 69 18.150 5.796 -2.721 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.665 7.029 -4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.228 7.662 -4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 69 18.194 10.414 -3.160 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.857 9.813 -4.147 1.00 0.00 H new ATOM 1113 N THR A 70 14.986 5.848 -2.027 1.00 0.00 N ATOM 1114 CA THR A 70 14.006 6.028 -0.963 1.00 0.00 C ATOM 1115 C THR A 70 14.567 5.577 0.381 1.00 0.00 C ATOM 1116 O THR A 70 14.408 6.260 1.393 1.00 0.00 O ATOM 1117 CB THR A 70 12.711 5.247 -1.254 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.001 4.102 -2.063 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.694 6.130 -1.961 1.00 0.00 C ATOM 0 H THR A 70 14.629 5.364 -2.851 1.00 0.00 H new ATOM 0 HA THR A 70 13.777 7.093 -0.920 1.00 0.00 H new ATOM 0 HB THR A 70 12.287 4.922 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.086 4.377 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.788 5.557 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.453 6.985 -1.330 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.111 6.482 -2.905 1.00 0.00 H new ATOM 1127 N LYS A 71 15.224 4.422 0.386 1.00 0.00 N ATOM 1128 CA LYS A 71 15.811 3.880 1.605 1.00 0.00 C ATOM 1129 C LYS A 71 14.731 3.567 2.636 1.00 0.00 C ATOM 1130 O LYS A 71 14.035 4.464 3.112 1.00 0.00 O ATOM 1131 CB LYS A 71 16.821 4.868 2.193 1.00 0.00 C ATOM 1132 CG LYS A 71 18.258 4.575 1.800 1.00 0.00 C ATOM 1133 CD LYS A 71 19.240 5.370 2.644 1.00 0.00 C ATOM 1134 CE LYS A 71 19.000 6.867 2.517 1.00 0.00 C ATOM 1135 NZ LYS A 71 20.150 7.659 3.034 1.00 0.00 N ATOM 0 H LYS A 71 15.363 3.843 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 71 16.325 2.953 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.562 5.876 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.740 4.853 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.458 3.510 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.404 4.815 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.147 5.073 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.259 5.136 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.826 7.119 1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.097 7.138 3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.948 8.674 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.300 7.437 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.007 7.420 2.495 1.00 0.00 H new ATOM 1149 N ILE A 72 14.597 2.289 2.977 1.00 0.00 N ATOM 1150 CA ILE A 72 13.604 1.859 3.953 1.00 0.00 C ATOM 1151 C ILE A 72 14.269 1.354 5.228 1.00 0.00 C ATOM 1152 O ILE A 72 15.351 0.770 5.186 1.00 0.00 O ATOM 1153 CB ILE A 72 12.699 0.750 3.385 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.613 0.379 4.396 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.528 -0.472 3.017 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.998 -0.768 5.303 1.00 0.00 C ATOM 0 H ILE A 72 15.164 1.534 2.591 1.00 0.00 H new ATOM 0 HA ILE A 72 12.993 2.731 4.186 1.00 0.00 H new ATOM 0 HB ILE A 72 12.215 1.123 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.382 1.252 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.702 0.116 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.875 -1.248 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.268 -0.197 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.036 -0.848 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.181 -0.976 5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.200 -1.655 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.891 -0.501 5.868 1.00 0.00 H new ATOM 1168 N MET A 73 13.613 1.582 6.362 1.00 0.00 N ATOM 1169 CA MET A 73 14.140 1.146 7.650 1.00 0.00 C ATOM 1170 C MET A 73 13.150 0.229 8.360 1.00 0.00 C ATOM 1171 O MET A 73 12.014 0.616 8.629 1.00 0.00 O ATOM 1172 CB MET A 73 14.455 2.356 8.532 1.00 0.00 C ATOM 1173 CG MET A 73 15.105 3.505 7.778 1.00 0.00 C ATOM 1174 SD MET A 73 15.606 4.854 8.864 1.00 0.00 S ATOM 1175 CE MET A 73 17.382 4.836 8.629 1.00 0.00 C ATOM 0 H MET A 73 12.717 2.066 6.415 1.00 0.00 H new ATOM 0 HA MET A 73 15.059 0.588 7.469 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.532 2.710 8.992 1.00 0.00 H new ATOM 0 HB3 MET A 73 15.115 2.044 9.341 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.977 3.134 7.240 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.408 3.885 7.031 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.837 5.617 9.238 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.779 3.866 8.928 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.612 5.014 7.578 1.00 0.00 H new ATOM 1185 N MET A 74 13.589 -0.989 8.660 1.00 0.00 N ATOM 1186 CA MET A 74 12.741 -1.961 9.340 1.00 0.00 C ATOM 1187 C MET A 74 13.036 -1.987 10.837 1.00 0.00 C ATOM 1188 O MET A 74 14.194 -1.961 11.251 1.00 0.00 O ATOM 1189 CB MET A 74 12.946 -3.355 8.744 1.00 0.00 C ATOM 1190 CG MET A 74 11.904 -4.367 9.191 1.00 0.00 C ATOM 1191 SD MET A 74 12.312 -6.051 8.693 1.00 0.00 S ATOM 1192 CE MET A 74 12.207 -5.912 6.910 1.00 0.00 C ATOM 0 H MET A 74 14.527 -1.326 8.443 1.00 0.00 H new ATOM 0 HA MET A 74 11.703 -1.662 9.197 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.927 -3.282 7.657 1.00 0.00 H new ATOM 0 HB3 MET A 74 13.936 -3.718 9.022 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.806 -4.327 10.276 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.935 -4.094 8.773 1.00 0.00 H new ATOM 0 HE1 MET A 74 11.583 -6.715 6.519 1.00 0.00 H new ATOM 0 HE2 MET A 74 11.768 -4.950 6.645 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.206 -5.986 6.480 1.00 0.00 H new ATOM 1202 N MET A 75 11.980 -2.039 11.642 1.00 0.00 N ATOM 1203 CA MET A 75 12.127 -2.070 13.093 1.00 0.00 C ATOM 1204 C MET A 75 11.160 -3.071 13.716 1.00 0.00 C ATOM 1205 O MET A 75 10.225 -3.535 13.064 1.00 0.00 O ATOM 1206 CB MET A 75 11.888 -0.678 13.681 1.00 0.00 C ATOM 1207 CG MET A 75 12.481 -0.494 15.068 1.00 0.00 C ATOM 1208 SD MET A 75 12.458 1.225 15.611 1.00 0.00 S ATOM 1209 CE MET A 75 13.719 1.195 16.883 1.00 0.00 C ATOM 0 H MET A 75 11.014 -2.061 11.315 1.00 0.00 H new ATOM 0 HA MET A 75 13.145 -2.384 13.324 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.314 0.069 13.011 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.815 -0.491 13.726 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.925 -1.103 15.780 1.00 0.00 H new ATOM 0 HG3 MET A 75 13.508 -0.858 15.071 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.450 1.889 17.679 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.799 0.188 17.292 1.00 0.00 H new ATOM 0 HE3 MET A 75 14.676 1.490 16.453 1.00 0.00 H new ATOM 1219 N GLY A 76 11.391 -3.401 14.984 1.00 0.00 N ATOM 1220 CA GLY A 76 10.532 -4.345 15.673 1.00 0.00 C ATOM 1221 C GLY A 76 10.350 -5.636 14.899 1.00 0.00 C ATOM 1222 O GLY A 76 9.261 -6.209 14.879 1.00 0.00 O ATOM 0 H GLY A 76 12.158 -3.031 15.545 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.955 -4.569 16.652 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.558 -3.887 15.844 1.00 0.00 H new ATOM 1226 N THR A 77 11.421 -6.095 14.258 1.00 0.00 N ATOM 1227 CA THR A 77 11.375 -7.325 13.477 1.00 0.00 C ATOM 1228 C THR A 77 12.451 -8.305 13.930 1.00 0.00 C ATOM 1229 O THR A 77 13.624 -8.154 13.589 1.00 0.00 O ATOM 1230 CB THR A 77 11.554 -7.042 11.974 1.00 0.00 C ATOM 1231 OG1 THR A 77 12.636 -6.126 11.773 1.00 0.00 O ATOM 1232 CG2 THR A 77 10.279 -6.467 11.376 1.00 0.00 C ATOM 0 H THR A 77 12.330 -5.633 14.265 1.00 0.00 H new ATOM 0 HA THR A 77 10.393 -7.768 13.642 1.00 0.00 H new ATOM 0 HB THR A 77 11.779 -7.984 11.474 1.00 0.00 H new ATOM 0 HG1 THR A 77 12.870 -6.100 10.822 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.430 -6.275 10.314 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.464 -7.179 11.504 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.029 -5.534 11.881 1.00 0.00 H new