USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.00623 (180deg=-0.26) USER MOD Single : A 5 MET CE :methyl 161:sc= -7.67! (180deg=-8.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= 0.349 F(o=-0.66,f=0.35) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 26:sc= 0.802 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 18 THR OG1 : rot -31:sc= -0.331 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.486 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00763) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -54:sc= 1.13 USER MOD Single : A 43 GLN : amide:sc= -1.95 K(o=-2,f=-3.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -118:sc= 0.724 (180deg=-0.231) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.086 (180deg=-0.482) USER MOD Single : A 57 ASN :FLIP amide:sc= 0.0246 F(o=-1.1!,f=0.025) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -140:sc= -0.383 (180deg=-2.17!) USER MOD Single : A 69 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.3) USER MOD Single : A 70 THR OG1 : rot -123:sc= 0.377 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 -127:sc= -1.26 (180deg=-3.84!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 130:sc= -0.0185 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.342 -0.946 -1.730 1.00 0.00 N ATOM 2 CA MET A 1 1.464 -1.157 -2.637 1.00 0.00 C ATOM 3 C MET A 1 2.791 -0.922 -1.923 1.00 0.00 C ATOM 4 O MET A 1 2.879 -0.102 -1.010 1.00 0.00 O ATOM 5 CB MET A 1 1.351 -0.229 -3.848 1.00 0.00 C ATOM 6 CG MET A 1 0.091 -0.450 -4.668 1.00 0.00 C ATOM 7 SD MET A 1 0.263 0.114 -6.372 1.00 0.00 S ATOM 8 CE MET A 1 -0.501 1.731 -6.272 1.00 0.00 C ATOM 0 H1 MET A 1 -0.278 -1.781 -1.745 1.00 0.00 H new ATOM 0 H2 MET A 1 0.699 -0.797 -0.765 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.197 -0.110 -2.033 1.00 0.00 H new ATOM 0 HA MET A 1 1.433 -2.192 -2.978 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.375 0.806 -3.506 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.221 -0.373 -4.488 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.159 -1.511 -4.664 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.740 0.075 -4.198 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.472 2.208 -7.252 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.537 1.625 -5.951 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.041 2.345 -5.553 1.00 0.00 H new ATOM 18 N ALA A 2 3.822 -1.648 -2.345 1.00 0.00 N ATOM 19 CA ALA A 2 5.144 -1.517 -1.747 1.00 0.00 C ATOM 20 C ALA A 2 5.992 -0.501 -2.506 1.00 0.00 C ATOM 21 O ALA A 2 5.561 0.048 -3.521 1.00 0.00 O ATOM 22 CB ALA A 2 5.843 -2.868 -1.710 1.00 0.00 C ATOM 0 H ALA A 2 3.766 -2.333 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 2 5.019 -1.157 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.830 -2.755 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.253 -3.567 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.948 -3.251 -2.725 1.00 0.00 H new ATOM 28 N LEU A 3 7.198 -0.255 -2.008 1.00 0.00 N ATOM 29 CA LEU A 3 8.107 0.697 -2.639 1.00 0.00 C ATOM 30 C LEU A 3 9.480 0.072 -2.862 1.00 0.00 C ATOM 31 O LEU A 3 10.040 -0.585 -1.984 1.00 0.00 O ATOM 32 CB LEU A 3 8.239 1.954 -1.778 1.00 0.00 C ATOM 33 CG LEU A 3 6.950 2.466 -1.134 1.00 0.00 C ATOM 34 CD1 LEU A 3 7.265 3.379 0.040 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.093 3.191 -2.161 1.00 0.00 C ATOM 0 H LEU A 3 7.570 -0.701 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 3 7.691 0.971 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.962 1.754 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.654 2.751 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 3 6.388 1.610 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.335 3.733 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.838 2.828 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.848 4.231 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.180 3.549 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.648 4.038 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.837 2.506 -2.970 1.00 0.00 H new ATOM 47 N PRO A 4 10.038 0.283 -4.063 1.00 0.00 N ATOM 48 CA PRO A 4 11.355 -0.249 -4.429 1.00 0.00 C ATOM 49 C PRO A 4 12.487 0.438 -3.673 1.00 0.00 C ATOM 50 O PRO A 4 13.174 1.301 -4.218 1.00 0.00 O ATOM 51 CB PRO A 4 11.454 0.048 -5.927 1.00 0.00 C ATOM 52 CG PRO A 4 10.553 1.215 -6.142 1.00 0.00 C ATOM 53 CD PRO A 4 9.427 1.056 -5.157 1.00 0.00 C ATOM 0 HA PRO A 4 11.450 -1.307 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.479 0.280 -6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.140 -0.809 -6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.084 2.153 -5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.177 1.234 -7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.058 2.021 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.580 0.530 -5.597 1.00 0.00 H new ATOM 61 N MET A 5 12.677 0.047 -2.417 1.00 0.00 N ATOM 62 CA MET A 5 13.728 0.625 -1.588 1.00 0.00 C ATOM 63 C MET A 5 14.579 -0.468 -0.949 1.00 0.00 C ATOM 64 O MET A 5 14.200 -1.640 -0.947 1.00 0.00 O ATOM 65 CB MET A 5 13.120 1.515 -0.502 1.00 0.00 C ATOM 66 CG MET A 5 11.746 2.057 -0.860 1.00 0.00 C ATOM 67 SD MET A 5 11.168 3.308 0.303 1.00 0.00 S ATOM 68 CE MET A 5 10.208 2.303 1.432 1.00 0.00 C ATOM 0 H MET A 5 12.117 -0.667 -1.951 1.00 0.00 H new ATOM 0 HA MET A 5 14.368 1.232 -2.228 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.047 0.945 0.424 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.793 2.351 -0.310 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.778 2.485 -1.862 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.031 1.235 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.068 2.841 2.370 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.236 2.087 0.990 1.00 0.00 H new ATOM 0 HE3 MET A 5 10.735 1.368 1.625 1.00 0.00 H new ATOM 78 N ILE A 6 15.728 -0.077 -0.408 1.00 0.00 N ATOM 79 CA ILE A 6 16.630 -1.024 0.234 1.00 0.00 C ATOM 80 C ILE A 6 16.636 -0.839 1.748 1.00 0.00 C ATOM 81 O ILE A 6 16.679 0.286 2.246 1.00 0.00 O ATOM 82 CB ILE A 6 18.069 -0.878 -0.295 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.142 -1.305 -1.763 1.00 0.00 C ATOM 84 CG2 ILE A 6 19.030 -1.701 0.550 1.00 0.00 C ATOM 85 CD1 ILE A 6 17.685 -0.234 -2.727 1.00 0.00 C ATOM 0 H ILE A 6 16.056 0.889 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 6 16.262 -2.022 -0.006 1.00 0.00 H new ATOM 0 HB ILE A 6 18.361 0.170 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.169 -1.583 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.530 -2.195 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.043 -1.588 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.995 -1.354 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.742 -2.751 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.764 -0.606 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.648 0.028 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.313 0.650 -2.613 1.00 0.00 H new ATOM 97 N VAL A 7 16.594 -1.950 2.475 1.00 0.00 N ATOM 98 CA VAL A 7 16.597 -1.911 3.933 1.00 0.00 C ATOM 99 C VAL A 7 17.976 -2.250 4.488 1.00 0.00 C ATOM 100 O VAL A 7 18.609 -3.216 4.063 1.00 0.00 O ATOM 101 CB VAL A 7 15.563 -2.888 4.523 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.757 -4.283 3.947 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.659 -2.911 6.041 1.00 0.00 C ATOM 0 H VAL A 7 16.557 -2.889 2.079 1.00 0.00 H new ATOM 0 HA VAL A 7 16.331 -0.895 4.224 1.00 0.00 H new ATOM 0 HB VAL A 7 14.566 -2.544 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.018 -4.960 4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.634 -4.250 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.758 -4.640 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.921 -3.606 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.658 -3.231 6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.466 -1.912 6.433 1.00 0.00 H new ATOM 113 N LYS A 8 18.436 -1.448 5.442 1.00 0.00 N ATOM 114 CA LYS A 8 19.740 -1.662 6.060 1.00 0.00 C ATOM 115 C LYS A 8 19.631 -1.648 7.581 1.00 0.00 C ATOM 116 O LYS A 8 20.215 -0.792 8.246 1.00 0.00 O ATOM 117 CB LYS A 8 20.728 -0.588 5.598 1.00 0.00 C ATOM 118 CG LYS A 8 22.177 -1.042 5.628 1.00 0.00 C ATOM 119 CD LYS A 8 23.010 -0.318 4.584 1.00 0.00 C ATOM 120 CE LYS A 8 23.275 1.125 4.986 1.00 0.00 C ATOM 121 NZ LYS A 8 24.015 1.869 3.929 1.00 0.00 N ATOM 0 H LYS A 8 17.925 -0.643 5.805 1.00 0.00 H new ATOM 0 HA LYS A 8 20.105 -2.641 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.472 -0.283 4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.618 0.292 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.595 -0.861 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.226 -2.117 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.958 -0.839 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.493 -0.341 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.328 1.626 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.849 1.144 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.176 2.848 4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.930 1.406 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.457 1.873 3.052 1.00 0.00 H new ATOM 135 N TRP A 9 18.881 -2.599 8.124 1.00 0.00 N ATOM 136 CA TRP A 9 18.697 -2.696 9.568 1.00 0.00 C ATOM 137 C TRP A 9 19.945 -3.258 10.239 1.00 0.00 C ATOM 138 O TRP A 9 20.645 -4.094 9.670 1.00 0.00 O ATOM 139 CB TRP A 9 17.488 -3.577 9.891 1.00 0.00 C ATOM 140 CG TRP A 9 17.240 -3.729 11.361 1.00 0.00 C ATOM 141 CD1 TRP A 9 17.142 -2.726 12.284 1.00 0.00 C ATOM 142 CD2 TRP A 9 17.061 -4.955 12.078 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.912 -3.256 13.531 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.857 -4.621 13.431 1.00 0.00 C ATOM 145 CE3 TRP A 9 17.050 -6.303 11.708 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.648 -5.586 14.412 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.842 -7.259 12.683 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.642 -6.898 14.022 1.00 0.00 C ATOM 0 H TRP A 9 18.390 -3.314 7.587 1.00 0.00 H new ATOM 0 HA TRP A 9 18.520 -1.693 9.955 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.601 -3.151 9.422 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.638 -4.563 9.451 1.00 0.00 H new ATOM 0 HD1 TRP A 9 17.232 -1.672 12.066 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.800 -2.720 14.391 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.201 -6.592 10.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 16.496 -5.309 15.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.833 -8.303 12.408 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.480 -7.669 14.760 1.00 0.00 H new ATOM 159 N GLY A 10 20.218 -2.793 11.455 1.00 0.00 N ATOM 160 CA GLY A 10 21.383 -3.261 12.183 1.00 0.00 C ATOM 161 C GLY A 10 21.400 -4.769 12.342 1.00 0.00 C ATOM 162 O GLY A 10 20.692 -5.320 13.184 1.00 0.00 O ATOM 0 H GLY A 10 19.654 -2.101 11.948 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.286 -2.944 11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.404 -2.795 13.168 1.00 0.00 H new ATOM 166 N GLY A 11 22.211 -5.439 11.529 1.00 0.00 N ATOM 167 CA GLY A 11 22.301 -6.886 11.597 1.00 0.00 C ATOM 168 C GLY A 11 21.787 -7.559 10.340 1.00 0.00 C ATOM 169 O GLY A 11 22.161 -8.692 10.039 1.00 0.00 O ATOM 0 H GLY A 11 22.807 -5.005 10.824 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.339 -7.175 11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.731 -7.242 12.455 1.00 0.00 H new ATOM 173 N GLN A 12 20.926 -6.861 9.607 1.00 0.00 N ATOM 174 CA GLN A 12 20.359 -7.400 8.377 1.00 0.00 C ATOM 175 C GLN A 12 20.172 -6.301 7.336 1.00 0.00 C ATOM 176 O GLN A 12 19.505 -5.299 7.591 1.00 0.00 O ATOM 177 CB GLN A 12 19.019 -8.080 8.663 1.00 0.00 C ATOM 178 CG GLN A 12 19.156 -9.436 9.336 1.00 0.00 C ATOM 179 CD GLN A 12 19.959 -10.420 8.507 1.00 0.00 C ATOM 180 OE1 GLN A 12 19.366 -10.900 7.420 1.00 0.00 O flip ATOM 181 NE2 GLN A 12 21.099 -10.745 8.840 1.00 0.00 N flip ATOM 0 H GLN A 12 20.606 -5.922 9.843 1.00 0.00 H new ATOM 0 HA GLN A 12 21.056 -8.138 7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.418 -7.428 9.297 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.476 -8.202 7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.635 -9.309 10.307 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.164 -9.847 9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 12 21.516 -10.351 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.627 -11.408 8.272 1.00 0.00 H new ATOM 190 N GLU A 13 20.766 -6.497 6.163 1.00 0.00 N ATOM 191 CA GLU A 13 20.665 -5.520 5.084 1.00 0.00 C ATOM 192 C GLU A 13 20.084 -6.158 3.825 1.00 0.00 C ATOM 193 O GLU A 13 20.821 -6.609 2.948 1.00 0.00 O ATOM 194 CB GLU A 13 22.040 -4.922 4.778 1.00 0.00 C ATOM 195 CG GLU A 13 22.036 -3.958 3.603 1.00 0.00 C ATOM 196 CD GLU A 13 23.347 -3.208 3.460 1.00 0.00 C ATOM 197 OE1 GLU A 13 24.255 -3.439 4.286 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.464 -2.392 2.523 1.00 0.00 O ATOM 0 H GLU A 13 21.321 -7.322 5.935 1.00 0.00 H new ATOM 0 HA GLU A 13 19.995 -4.725 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.406 -4.401 5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.741 -5.731 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.836 -4.511 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.224 -3.242 3.728 1.00 0.00 H new ATOM 205 N TYR A 14 18.759 -6.193 3.745 1.00 0.00 N ATOM 206 CA TYR A 14 18.078 -6.779 2.596 1.00 0.00 C ATOM 207 C TYR A 14 17.668 -5.700 1.598 1.00 0.00 C ATOM 208 O TYR A 14 17.772 -4.506 1.880 1.00 0.00 O ATOM 209 CB TYR A 14 16.846 -7.562 3.052 1.00 0.00 C ATOM 210 CG TYR A 14 16.729 -8.930 2.417 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.765 -9.851 2.511 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.584 -9.300 1.723 1.00 0.00 C ATOM 213 CE1 TYR A 14 17.663 -11.101 1.933 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.473 -10.549 1.143 1.00 0.00 C ATOM 215 CZ TYR A 14 16.515 -11.446 1.250 1.00 0.00 C ATOM 216 OH TYR A 14 16.409 -12.690 0.672 1.00 0.00 O ATOM 0 H TYR A 14 18.135 -5.823 4.462 1.00 0.00 H new ATOM 0 HA TYR A 14 18.771 -7.460 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.878 -7.675 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.952 -6.984 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.665 -9.585 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.767 -8.599 1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.478 -11.805 2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.575 -10.821 0.609 1.00 0.00 H new ATOM 0 HH TYR A 14 15.538 -12.773 0.231 1.00 0.00 H new ATOM 226 N SER A 15 17.202 -6.130 0.430 1.00 0.00 N ATOM 227 CA SER A 15 16.779 -5.203 -0.613 1.00 0.00 C ATOM 228 C SER A 15 15.289 -5.355 -0.904 1.00 0.00 C ATOM 229 O SER A 15 14.858 -6.349 -1.488 1.00 0.00 O ATOM 230 CB SER A 15 17.587 -5.436 -1.891 1.00 0.00 C ATOM 231 OG SER A 15 17.327 -6.721 -2.431 1.00 0.00 O ATOM 0 H SER A 15 17.108 -7.115 0.182 1.00 0.00 H new ATOM 0 HA SER A 15 16.960 -4.189 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.338 -4.671 -2.627 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.651 -5.337 -1.676 1.00 0.00 H new ATOM 0 HG SER A 15 16.437 -7.020 -2.150 1.00 0.00 H new ATOM 237 N VAL A 16 14.508 -4.362 -0.492 1.00 0.00 N ATOM 238 CA VAL A 16 13.066 -4.384 -0.708 1.00 0.00 C ATOM 239 C VAL A 16 12.700 -3.739 -2.041 1.00 0.00 C ATOM 240 O VAL A 16 11.815 -2.886 -2.109 1.00 0.00 O ATOM 241 CB VAL A 16 12.317 -3.656 0.424 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.828 -3.959 0.361 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.892 -4.045 1.778 1.00 0.00 C ATOM 0 H VAL A 16 14.849 -3.532 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 16 12.764 -5.431 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 16 12.450 -2.582 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.316 -3.436 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.429 -3.626 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.670 -5.032 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.351 -3.522 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.791 -5.121 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.946 -3.771 1.818 1.00 0.00 H new ATOM 253 N THR A 17 13.388 -4.154 -3.101 1.00 0.00 N ATOM 254 CA THR A 17 13.136 -3.617 -4.432 1.00 0.00 C ATOM 255 C THR A 17 11.900 -4.253 -5.057 1.00 0.00 C ATOM 256 O THR A 17 11.506 -5.360 -4.690 1.00 0.00 O ATOM 257 CB THR A 17 14.342 -3.840 -5.364 1.00 0.00 C ATOM 258 OG1 THR A 17 14.042 -3.354 -6.678 1.00 0.00 O ATOM 259 CG2 THR A 17 14.706 -5.316 -5.435 1.00 0.00 C ATOM 0 H THR A 17 14.123 -4.860 -3.063 1.00 0.00 H new ATOM 0 HA THR A 17 12.969 -2.546 -4.315 1.00 0.00 H new ATOM 0 HB THR A 17 15.192 -3.291 -4.959 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.814 -3.498 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.560 -5.449 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.962 -5.676 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.857 -5.882 -5.819 1.00 0.00 H new ATOM 267 N THR A 18 11.291 -3.546 -6.004 1.00 0.00 N ATOM 268 CA THR A 18 10.099 -4.042 -6.680 1.00 0.00 C ATOM 269 C THR A 18 10.452 -5.123 -7.696 1.00 0.00 C ATOM 270 O THR A 18 9.569 -5.749 -8.284 1.00 0.00 O ATOM 271 CB THR A 18 9.347 -2.905 -7.398 1.00 0.00 C ATOM 272 OG1 THR A 18 8.146 -3.411 -7.992 1.00 0.00 O ATOM 273 CG2 THR A 18 10.221 -2.270 -8.470 1.00 0.00 C ATOM 0 H THR A 18 11.604 -2.628 -6.320 1.00 0.00 H new ATOM 0 HA THR A 18 9.453 -4.467 -5.911 1.00 0.00 H new ATOM 0 HB THR A 18 9.094 -2.144 -6.660 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.282 -4.343 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.669 -1.470 -8.963 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.120 -1.860 -8.010 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.501 -3.024 -9.205 1.00 0.00 H new ATOM 281 N LEU A 19 11.747 -5.338 -7.897 1.00 0.00 N ATOM 282 CA LEU A 19 12.217 -6.345 -8.842 1.00 0.00 C ATOM 283 C LEU A 19 11.901 -5.936 -10.277 1.00 0.00 C ATOM 284 O LEU A 19 11.288 -4.895 -10.515 1.00 0.00 O ATOM 285 CB LEU A 19 11.578 -7.700 -8.533 1.00 0.00 C ATOM 286 CG LEU A 19 11.411 -8.042 -7.052 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.702 -9.377 -6.889 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.764 -8.065 -6.355 1.00 0.00 C ATOM 0 H LEU A 19 12.490 -4.829 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 19 13.299 -6.428 -8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.596 -7.732 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.182 -8.479 -8.999 1.00 0.00 H new ATOM 0 HG LEU A 19 10.798 -7.270 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.592 -9.604 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.717 -9.325 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.288 -10.161 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.627 -8.310 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.401 -8.816 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.234 -7.086 -6.441 1.00 0.00 H new ATOM 300 N SER A 20 12.321 -6.763 -11.229 1.00 0.00 N ATOM 301 CA SER A 20 12.083 -6.486 -12.641 1.00 0.00 C ATOM 302 C SER A 20 10.609 -6.669 -12.990 1.00 0.00 C ATOM 303 O SER A 20 9.851 -7.268 -12.229 1.00 0.00 O ATOM 304 CB SER A 20 12.943 -7.403 -13.513 1.00 0.00 C ATOM 305 OG SER A 20 14.276 -6.929 -13.592 1.00 0.00 O ATOM 0 H SER A 20 12.827 -7.630 -11.049 1.00 0.00 H new ATOM 0 HA SER A 20 12.358 -5.449 -12.834 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.936 -8.412 -13.101 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.516 -7.464 -14.514 1.00 0.00 H new ATOM 0 HG SER A 20 14.805 -7.533 -14.153 1.00 0.00 H new ATOM 311 N GLU A 21 10.213 -6.147 -14.147 1.00 0.00 N ATOM 312 CA GLU A 21 8.829 -6.252 -14.596 1.00 0.00 C ATOM 313 C GLU A 21 8.394 -7.712 -14.680 1.00 0.00 C ATOM 314 O GLU A 21 7.280 -8.062 -14.289 1.00 0.00 O ATOM 315 CB GLU A 21 8.661 -5.579 -15.960 1.00 0.00 C ATOM 316 CG GLU A 21 9.565 -6.153 -17.038 1.00 0.00 C ATOM 317 CD GLU A 21 8.891 -7.247 -17.842 1.00 0.00 C ATOM 318 OE1 GLU A 21 7.745 -7.036 -18.290 1.00 0.00 O ATOM 319 OE2 GLU A 21 9.511 -8.316 -18.024 1.00 0.00 O ATOM 0 H GLU A 21 10.829 -5.648 -14.789 1.00 0.00 H new ATOM 0 HA GLU A 21 8.197 -5.744 -13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.623 -5.677 -16.278 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.864 -4.513 -15.857 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.877 -5.353 -17.710 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.468 -6.551 -16.576 1.00 0.00 H new ATOM 326 N ASP A 22 9.279 -8.559 -15.194 1.00 0.00 N ATOM 327 CA ASP A 22 8.987 -9.981 -15.330 1.00 0.00 C ATOM 328 C ASP A 22 8.528 -10.571 -14.000 1.00 0.00 C ATOM 329 O ASP A 22 7.654 -11.438 -13.963 1.00 0.00 O ATOM 330 CB ASP A 22 10.221 -10.731 -15.835 1.00 0.00 C ATOM 331 CG ASP A 22 9.921 -12.178 -16.172 1.00 0.00 C ATOM 332 OD1 ASP A 22 8.843 -12.444 -16.745 1.00 0.00 O ATOM 333 OD2 ASP A 22 10.764 -13.045 -15.863 1.00 0.00 O ATOM 0 H ASP A 22 10.205 -8.285 -15.523 1.00 0.00 H new ATOM 0 HA ASP A 22 8.181 -10.093 -16.055 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.611 -10.228 -16.720 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.002 -10.692 -15.076 1.00 0.00 H new ATOM 338 N ASP A 23 9.122 -10.096 -12.911 1.00 0.00 N ATOM 339 CA ASP A 23 8.774 -10.576 -11.579 1.00 0.00 C ATOM 340 C ASP A 23 7.753 -9.655 -10.919 1.00 0.00 C ATOM 341 O ASP A 23 7.242 -8.725 -11.545 1.00 0.00 O ATOM 342 CB ASP A 23 10.026 -10.677 -10.707 1.00 0.00 C ATOM 343 CG ASP A 23 11.046 -11.648 -11.269 1.00 0.00 C ATOM 344 OD1 ASP A 23 10.724 -12.849 -11.380 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.168 -11.206 -11.597 1.00 0.00 O ATOM 0 H ASP A 23 9.847 -9.379 -12.925 1.00 0.00 H new ATOM 0 HA ASP A 23 8.331 -11.567 -11.681 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.481 -9.691 -10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.742 -10.994 -9.703 1.00 0.00 H new ATOM 350 N THR A 24 7.457 -9.919 -9.650 1.00 0.00 N ATOM 351 CA THR A 24 6.495 -9.116 -8.906 1.00 0.00 C ATOM 352 C THR A 24 6.821 -9.109 -7.417 1.00 0.00 C ATOM 353 O THR A 24 7.693 -9.847 -6.958 1.00 0.00 O ATOM 354 CB THR A 24 5.058 -9.635 -9.103 1.00 0.00 C ATOM 355 OG1 THR A 24 5.076 -11.045 -9.348 1.00 0.00 O ATOM 356 CG2 THR A 24 4.381 -8.922 -10.264 1.00 0.00 C ATOM 0 H THR A 24 7.870 -10.683 -9.116 1.00 0.00 H new ATOM 0 HA THR A 24 6.563 -8.100 -9.295 1.00 0.00 H new ATOM 0 HB THR A 24 4.493 -9.432 -8.193 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.315 -11.288 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.367 -9.304 -10.385 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.343 -7.852 -10.061 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.947 -9.098 -11.179 1.00 0.00 H new ATOM 364 N VAL A 25 6.113 -8.272 -6.665 1.00 0.00 N ATOM 365 CA VAL A 25 6.325 -8.171 -5.226 1.00 0.00 C ATOM 366 C VAL A 25 6.016 -9.491 -4.530 1.00 0.00 C ATOM 367 O VAL A 25 6.599 -9.812 -3.494 1.00 0.00 O ATOM 368 CB VAL A 25 5.455 -7.061 -4.607 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.482 -7.145 -3.089 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.920 -5.692 -5.082 1.00 0.00 C ATOM 0 H VAL A 25 5.388 -7.654 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 25 7.376 -7.924 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 25 4.426 -7.204 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.862 -6.353 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.097 -8.114 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.507 -7.028 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.294 -4.920 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.957 -5.536 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.843 -5.638 -6.168 1.00 0.00 H new ATOM 380 N LEU A 26 5.094 -10.255 -5.107 1.00 0.00 N ATOM 381 CA LEU A 26 4.707 -11.544 -4.543 1.00 0.00 C ATOM 382 C LEU A 26 5.930 -12.423 -4.302 1.00 0.00 C ATOM 383 O LEU A 26 6.002 -13.143 -3.306 1.00 0.00 O ATOM 384 CB LEU A 26 3.727 -12.258 -5.476 1.00 0.00 C ATOM 385 CG LEU A 26 4.317 -12.802 -6.778 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.849 -14.213 -6.574 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.275 -12.778 -7.886 1.00 0.00 C ATOM 0 H LEU A 26 4.601 -10.004 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 26 4.220 -11.362 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.275 -13.087 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.924 -11.565 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 26 5.148 -12.162 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.265 -14.584 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.627 -14.202 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.037 -14.865 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.712 -13.168 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.424 -13.395 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.941 -11.753 -8.050 1.00 0.00 H new ATOM 399 N ASP A 27 6.889 -12.357 -5.218 1.00 0.00 N ATOM 400 CA ASP A 27 8.111 -13.144 -5.104 1.00 0.00 C ATOM 401 C ASP A 27 8.912 -12.729 -3.874 1.00 0.00 C ATOM 402 O ASP A 27 9.037 -13.491 -2.914 1.00 0.00 O ATOM 403 CB ASP A 27 8.966 -12.984 -6.362 1.00 0.00 C ATOM 404 CG ASP A 27 8.672 -14.049 -7.401 1.00 0.00 C ATOM 405 OD1 ASP A 27 8.759 -15.248 -7.062 1.00 0.00 O ATOM 406 OD2 ASP A 27 8.355 -13.683 -8.551 1.00 0.00 O ATOM 0 H ASP A 27 6.844 -11.766 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 27 7.830 -14.192 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.789 -11.999 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.020 -13.028 -6.089 1.00 0.00 H new ATOM 411 N LEU A 28 9.454 -11.516 -3.909 1.00 0.00 N ATOM 412 CA LEU A 28 10.245 -10.999 -2.797 1.00 0.00 C ATOM 413 C LEU A 28 9.478 -11.116 -1.484 1.00 0.00 C ATOM 414 O LEU A 28 10.070 -11.318 -0.423 1.00 0.00 O ATOM 415 CB LEU A 28 10.625 -9.539 -3.052 1.00 0.00 C ATOM 416 CG LEU A 28 9.575 -8.496 -2.666 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.764 -8.058 -1.222 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.646 -7.298 -3.602 1.00 0.00 C ATOM 0 H LEU A 28 9.360 -10.873 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 28 11.154 -11.596 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.542 -9.322 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.851 -9.423 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 28 8.588 -8.949 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.008 -7.316 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.664 -8.921 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.756 -7.623 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.892 -6.566 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.635 -6.845 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.461 -7.624 -4.625 1.00 0.00 H new ATOM 430 N LYS A 29 8.158 -10.988 -1.562 1.00 0.00 N ATOM 431 CA LYS A 29 7.309 -11.083 -0.380 1.00 0.00 C ATOM 432 C LYS A 29 7.545 -12.398 0.356 1.00 0.00 C ATOM 433 O LYS A 29 7.855 -12.405 1.547 1.00 0.00 O ATOM 434 CB LYS A 29 5.835 -10.965 -0.776 1.00 0.00 C ATOM 435 CG LYS A 29 4.875 -11.236 0.369 1.00 0.00 C ATOM 436 CD LYS A 29 3.480 -10.716 0.063 1.00 0.00 C ATOM 437 CE LYS A 29 2.705 -10.414 1.336 1.00 0.00 C ATOM 438 NZ LYS A 29 2.104 -11.643 1.924 1.00 0.00 N ATOM 0 H LYS A 29 7.653 -10.818 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 29 7.567 -10.262 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.651 -9.963 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.628 -11.664 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.830 -12.308 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.249 -10.764 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.552 -9.813 -0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.937 -11.454 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.370 -9.951 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.917 -9.692 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.584 -11.395 2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.450 -12.072 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.857 -12.322 2.155 1.00 0.00 H new ATOM 452 N GLN A 30 7.398 -13.507 -0.361 1.00 0.00 N ATOM 453 CA GLN A 30 7.597 -14.827 0.225 1.00 0.00 C ATOM 454 C GLN A 30 9.023 -14.985 0.741 1.00 0.00 C ATOM 455 O GLN A 30 9.268 -15.701 1.712 1.00 0.00 O ATOM 456 CB GLN A 30 7.290 -15.917 -0.803 1.00 0.00 C ATOM 457 CG GLN A 30 5.820 -16.003 -1.179 1.00 0.00 C ATOM 458 CD GLN A 30 5.484 -17.272 -1.937 1.00 0.00 C ATOM 459 OE1 GLN A 30 5.391 -18.352 -1.353 1.00 0.00 O ATOM 460 NE2 GLN A 30 5.301 -17.148 -3.247 1.00 0.00 N ATOM 0 H GLN A 30 7.142 -13.518 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 30 6.912 -14.929 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.876 -15.731 -1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.612 -16.880 -0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.214 -15.954 -0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.554 -15.139 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.388 -16.233 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.074 -17.968 -3.810 1.00 0.00 H new ATOM 469 N PHE A 31 9.962 -14.311 0.084 1.00 0.00 N ATOM 470 CA PHE A 31 11.365 -14.378 0.476 1.00 0.00 C ATOM 471 C PHE A 31 11.583 -13.721 1.836 1.00 0.00 C ATOM 472 O PHE A 31 12.423 -14.159 2.622 1.00 0.00 O ATOM 473 CB PHE A 31 12.243 -13.698 -0.578 1.00 0.00 C ATOM 474 CG PHE A 31 12.740 -14.637 -1.640 1.00 0.00 C ATOM 475 CD1 PHE A 31 13.626 -15.654 -1.325 1.00 0.00 C ATOM 476 CD2 PHE A 31 12.320 -14.501 -2.954 1.00 0.00 C ATOM 477 CE1 PHE A 31 14.085 -16.519 -2.301 1.00 0.00 C ATOM 478 CE2 PHE A 31 12.775 -15.364 -3.933 1.00 0.00 C ATOM 479 CZ PHE A 31 13.659 -16.373 -3.607 1.00 0.00 C ATOM 0 H PHE A 31 9.777 -13.713 -0.721 1.00 0.00 H new ATOM 0 HA PHE A 31 11.645 -15.429 0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.675 -12.896 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.098 -13.236 -0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 31 13.962 -15.773 -0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.630 -13.712 -3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.776 -17.308 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.439 -15.249 -4.953 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.017 -17.047 -4.371 1.00 0.00 H new ATOM 489 N LEU A 32 10.819 -12.668 2.105 1.00 0.00 N ATOM 490 CA LEU A 32 10.927 -11.948 3.370 1.00 0.00 C ATOM 491 C LEU A 32 10.258 -12.727 4.498 1.00 0.00 C ATOM 492 O LEU A 32 10.685 -12.661 5.651 1.00 0.00 O ATOM 493 CB LEU A 32 10.294 -10.562 3.247 1.00 0.00 C ATOM 494 CG LEU A 32 10.963 -9.603 2.260 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.318 -8.228 2.332 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.456 -9.510 2.537 1.00 0.00 C ATOM 0 H LEU A 32 10.118 -12.294 1.465 1.00 0.00 H new ATOM 0 HA LEU A 32 11.985 -11.837 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.252 -10.685 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.294 -10.096 4.232 1.00 0.00 H new ATOM 0 HG LEU A 32 10.825 -9.994 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.807 -7.559 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.260 -8.309 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.425 -7.828 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.916 -8.824 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.616 -9.143 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.907 -10.497 2.433 1.00 0.00 H new ATOM 508 N LYS A 33 9.209 -13.467 4.158 1.00 0.00 N ATOM 509 CA LYS A 33 8.481 -14.262 5.140 1.00 0.00 C ATOM 510 C LYS A 33 9.294 -15.483 5.561 1.00 0.00 C ATOM 511 O LYS A 33 9.207 -15.937 6.703 1.00 0.00 O ATOM 512 CB LYS A 33 7.133 -14.707 4.569 1.00 0.00 C ATOM 513 CG LYS A 33 6.604 -15.989 5.187 1.00 0.00 C ATOM 514 CD LYS A 33 7.042 -17.211 4.397 1.00 0.00 C ATOM 515 CE LYS A 33 5.894 -17.791 3.585 1.00 0.00 C ATOM 516 NZ LYS A 33 4.911 -18.505 4.446 1.00 0.00 N ATOM 0 H LYS A 33 8.843 -13.533 3.208 1.00 0.00 H new ATOM 0 HA LYS A 33 8.309 -13.640 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.403 -13.912 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.232 -14.846 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.959 -16.072 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.515 -15.952 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.860 -16.940 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.425 -17.969 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.389 -16.989 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.289 -18.479 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.210 -18.986 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.407 -19.208 5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.429 -17.821 5.063 1.00 0.00 H new ATOM 530 N THR A 34 10.086 -16.010 4.633 1.00 0.00 N ATOM 531 CA THR A 34 10.914 -17.177 4.908 1.00 0.00 C ATOM 532 C THR A 34 12.277 -16.768 5.456 1.00 0.00 C ATOM 533 O THR A 34 12.906 -17.516 6.205 1.00 0.00 O ATOM 534 CB THR A 34 11.119 -18.032 3.643 1.00 0.00 C ATOM 535 OG1 THR A 34 11.809 -19.242 3.975 1.00 0.00 O ATOM 536 CG2 THR A 34 11.908 -17.264 2.593 1.00 0.00 C ATOM 0 H THR A 34 10.171 -15.647 3.684 1.00 0.00 H new ATOM 0 HA THR A 34 10.386 -17.768 5.656 1.00 0.00 H new ATOM 0 HB THR A 34 10.139 -18.275 3.233 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.934 -19.780 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.040 -17.888 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.366 -16.359 2.320 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.884 -16.995 2.996 1.00 0.00 H new ATOM 544 N LEU A 35 12.727 -15.576 5.079 1.00 0.00 N ATOM 545 CA LEU A 35 14.015 -15.066 5.535 1.00 0.00 C ATOM 546 C LEU A 35 13.887 -14.404 6.903 1.00 0.00 C ATOM 547 O LEU A 35 14.684 -14.659 7.806 1.00 0.00 O ATOM 548 CB LEU A 35 14.576 -14.065 4.523 1.00 0.00 C ATOM 549 CG LEU A 35 15.885 -13.377 4.914 1.00 0.00 C ATOM 550 CD1 LEU A 35 17.073 -14.103 4.302 1.00 0.00 C ATOM 551 CD2 LEU A 35 15.869 -11.918 4.483 1.00 0.00 C ATOM 0 H LEU A 35 12.219 -14.945 4.459 1.00 0.00 H new ATOM 0 HA LEU A 35 14.700 -15.909 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.730 -14.583 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.823 -13.296 4.347 1.00 0.00 H new ATOM 0 HG LEU A 35 15.983 -13.414 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.995 -13.599 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.094 -15.132 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.982 -14.098 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.808 -11.444 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.748 -11.859 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.040 -11.404 4.969 1.00 0.00 H new ATOM 563 N THR A 36 12.875 -13.554 7.051 1.00 0.00 N ATOM 564 CA THR A 36 12.641 -12.857 8.309 1.00 0.00 C ATOM 565 C THR A 36 11.375 -13.364 8.991 1.00 0.00 C ATOM 566 O THR A 36 11.337 -13.525 10.210 1.00 0.00 O ATOM 567 CB THR A 36 12.521 -11.336 8.095 1.00 0.00 C ATOM 568 OG1 THR A 36 11.170 -10.993 7.767 1.00 0.00 O ATOM 569 CG2 THR A 36 13.451 -10.871 6.985 1.00 0.00 C ATOM 0 H THR A 36 12.205 -13.332 6.315 1.00 0.00 H new ATOM 0 HA THR A 36 13.501 -13.060 8.947 1.00 0.00 H new ATOM 0 HB THR A 36 12.808 -10.837 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.877 -11.521 6.995 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.349 -9.794 6.852 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.481 -11.108 7.251 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.190 -11.378 6.056 1.00 0.00 H new ATOM 577 N GLY A 37 10.340 -13.615 8.196 1.00 0.00 N ATOM 578 CA GLY A 37 9.086 -14.102 8.741 1.00 0.00 C ATOM 579 C GLY A 37 8.582 -13.249 9.888 1.00 0.00 C ATOM 580 O GLY A 37 7.869 -13.734 10.766 1.00 0.00 O ATOM 0 H GLY A 37 10.347 -13.490 7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.335 -14.124 7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.217 -15.128 9.085 1.00 0.00 H new ATOM 584 N VAL A 38 8.955 -11.973 9.882 1.00 0.00 N ATOM 585 CA VAL A 38 8.537 -11.049 10.930 1.00 0.00 C ATOM 586 C VAL A 38 7.703 -9.909 10.357 1.00 0.00 C ATOM 587 O VAL A 38 6.813 -9.380 11.024 1.00 0.00 O ATOM 588 CB VAL A 38 9.749 -10.460 11.676 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.292 -9.525 12.784 1.00 0.00 C ATOM 590 CG2 VAL A 38 10.624 -11.573 12.233 1.00 0.00 C ATOM 0 H VAL A 38 9.546 -11.556 9.163 1.00 0.00 H new ATOM 0 HA VAL A 38 7.931 -11.621 11.633 1.00 0.00 H new ATOM 0 HB VAL A 38 10.343 -9.882 10.968 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.162 -9.119 13.299 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.711 -8.709 12.355 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.675 -10.076 13.493 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.476 -11.139 12.757 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.043 -12.180 12.927 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.982 -12.198 11.415 1.00 0.00 H new ATOM 600 N LEU A 39 7.996 -9.534 9.117 1.00 0.00 N ATOM 601 CA LEU A 39 7.273 -8.456 8.452 1.00 0.00 C ATOM 602 C LEU A 39 5.766 -8.667 8.554 1.00 0.00 C ATOM 603 O LEU A 39 5.031 -7.829 9.075 1.00 0.00 O ATOM 604 CB LEU A 39 7.689 -8.366 6.983 1.00 0.00 C ATOM 605 CG LEU A 39 8.802 -7.368 6.660 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.046 -7.671 7.481 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.124 -7.390 5.173 1.00 0.00 C ATOM 0 H LEU A 39 8.730 -9.961 8.551 1.00 0.00 H new ATOM 0 HA LEU A 39 7.525 -7.521 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.009 -9.355 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.811 -8.104 6.393 1.00 0.00 H new ATOM 0 HG LEU A 39 8.454 -6.369 6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.827 -6.951 7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.807 -7.602 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.397 -8.677 7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.918 -6.674 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.451 -8.389 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.234 -7.123 4.604 1.00 0.00 H new ATOM 619 N PRO A 40 5.294 -9.815 8.046 1.00 0.00 N ATOM 620 CA PRO A 40 3.871 -10.165 8.070 1.00 0.00 C ATOM 621 C PRO A 40 3.372 -10.469 9.478 1.00 0.00 C ATOM 622 O PRO A 40 2.175 -10.652 9.696 1.00 0.00 O ATOM 623 CB PRO A 40 3.799 -11.419 7.195 1.00 0.00 C ATOM 624 CG PRO A 40 5.161 -12.017 7.277 1.00 0.00 C ATOM 625 CD PRO A 40 6.113 -10.861 7.410 1.00 0.00 C ATOM 0 HA PRO A 40 3.244 -9.346 7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.040 -12.112 7.558 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.537 -11.170 6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.241 -12.689 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.383 -12.605 6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.978 -11.121 8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.493 -10.540 6.440 1.00 0.00 H new ATOM 633 N GLU A 41 4.298 -10.521 10.431 1.00 0.00 N ATOM 634 CA GLU A 41 3.951 -10.803 11.819 1.00 0.00 C ATOM 635 C GLU A 41 3.806 -9.511 12.617 1.00 0.00 C ATOM 636 O GLU A 41 2.695 -9.085 12.934 1.00 0.00 O ATOM 637 CB GLU A 41 5.013 -11.697 12.462 1.00 0.00 C ATOM 638 CG GLU A 41 5.062 -13.099 11.879 1.00 0.00 C ATOM 639 CD GLU A 41 3.927 -13.976 12.371 1.00 0.00 C ATOM 640 OE1 GLU A 41 3.393 -13.695 13.464 1.00 0.00 O ATOM 641 OE2 GLU A 41 3.573 -14.942 11.663 1.00 0.00 O ATOM 0 H GLU A 41 5.294 -10.372 10.267 1.00 0.00 H new ATOM 0 HA GLU A 41 2.994 -11.324 11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.990 -11.229 12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.820 -11.764 13.533 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.023 -13.038 10.791 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.013 -13.563 12.138 1.00 0.00 H new ATOM 648 N ARG A 42 4.937 -8.891 12.939 1.00 0.00 N ATOM 649 CA ARG A 42 4.938 -7.649 13.701 1.00 0.00 C ATOM 650 C ARG A 42 6.288 -6.946 13.594 1.00 0.00 C ATOM 651 O ARG A 42 7.337 -7.569 13.754 1.00 0.00 O ATOM 652 CB ARG A 42 4.611 -7.927 15.170 1.00 0.00 C ATOM 653 CG ARG A 42 5.640 -8.801 15.868 1.00 0.00 C ATOM 654 CD ARG A 42 5.137 -9.283 17.220 1.00 0.00 C ATOM 655 NE ARG A 42 5.331 -8.281 18.265 1.00 0.00 N ATOM 656 CZ ARG A 42 6.500 -8.049 18.852 1.00 0.00 C ATOM 657 NH1 ARG A 42 7.573 -8.743 18.497 1.00 0.00 N ATOM 658 NH2 ARG A 42 6.598 -7.121 19.795 1.00 0.00 N ATOM 0 H ARG A 42 5.865 -9.229 12.683 1.00 0.00 H new ATOM 0 HA ARG A 42 4.173 -6.995 13.282 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.532 -6.979 15.702 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.635 -8.409 15.231 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.876 -9.660 15.239 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.565 -8.240 16.002 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.078 -9.529 17.146 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.659 -10.200 17.495 1.00 0.00 H new ATOM 0 HE ARG A 42 4.525 -7.730 18.560 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.502 -9.457 17.772 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.469 -8.563 18.949 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.775 -6.585 20.070 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.496 -6.944 20.245 1.00 0.00 H new ATOM 672 N GLN A 43 6.252 -5.645 13.321 1.00 0.00 N ATOM 673 CA GLN A 43 7.472 -4.859 13.191 1.00 0.00 C ATOM 674 C GLN A 43 7.156 -3.368 13.134 1.00 0.00 C ATOM 675 O GLN A 43 6.015 -2.956 13.346 1.00 0.00 O ATOM 676 CB GLN A 43 8.243 -5.277 11.938 1.00 0.00 C ATOM 677 CG GLN A 43 7.703 -4.660 10.658 1.00 0.00 C ATOM 678 CD GLN A 43 6.199 -4.803 10.530 1.00 0.00 C ATOM 679 OE1 GLN A 43 5.654 -5.899 10.669 1.00 0.00 O ATOM 680 NE2 GLN A 43 5.519 -3.694 10.266 1.00 0.00 N ATOM 0 H GLN A 43 5.391 -5.114 13.186 1.00 0.00 H new ATOM 0 HA GLN A 43 8.090 -5.048 14.069 1.00 0.00 H new ATOM 0 HB2 GLN A 43 9.289 -4.995 12.054 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.214 -6.363 11.849 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.967 -3.603 10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.183 -5.132 9.801 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.011 -2.807 10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.504 -3.729 10.170 1.00 0.00 H new ATOM 689 N LYS A 44 8.173 -2.563 12.846 1.00 0.00 N ATOM 690 CA LYS A 44 8.004 -1.117 12.760 1.00 0.00 C ATOM 691 C LYS A 44 8.938 -0.521 11.712 1.00 0.00 C ATOM 692 O LYS A 44 10.154 -0.471 11.906 1.00 0.00 O ATOM 693 CB LYS A 44 8.269 -0.470 14.121 1.00 0.00 C ATOM 694 CG LYS A 44 7.178 -0.736 15.144 1.00 0.00 C ATOM 695 CD LYS A 44 7.632 -0.379 16.549 1.00 0.00 C ATOM 696 CE LYS A 44 7.954 1.102 16.671 1.00 0.00 C ATOM 697 NZ LYS A 44 7.753 1.601 18.060 1.00 0.00 N ATOM 0 H LYS A 44 9.123 -2.888 12.668 1.00 0.00 H new ATOM 0 HA LYS A 44 6.975 -0.914 12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.218 -0.838 14.510 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.376 0.607 13.988 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.290 -0.157 14.889 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.894 -1.788 15.109 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.852 -0.643 17.263 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.513 -0.967 16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.987 1.275 16.369 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.322 1.669 15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.983 2.614 18.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.761 1.459 18.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.374 1.078 18.710 1.00 0.00 H new ATOM 711 N LEU A 45 8.364 -0.071 10.602 1.00 0.00 N ATOM 712 CA LEU A 45 9.146 0.523 9.523 1.00 0.00 C ATOM 713 C LEU A 45 8.691 1.952 9.243 1.00 0.00 C ATOM 714 O LEU A 45 7.626 2.375 9.694 1.00 0.00 O ATOM 715 CB LEU A 45 9.024 -0.321 8.253 1.00 0.00 C ATOM 716 CG LEU A 45 8.958 -1.835 8.458 1.00 0.00 C ATOM 717 CD1 LEU A 45 9.093 -2.560 7.128 1.00 0.00 C ATOM 718 CD2 LEU A 45 10.039 -2.290 9.427 1.00 0.00 C ATOM 0 H LEU A 45 7.360 -0.106 10.425 1.00 0.00 H new ATOM 0 HA LEU A 45 10.190 0.548 9.836 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.128 -0.008 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.875 -0.098 7.609 1.00 0.00 H new ATOM 0 HG LEU A 45 7.987 -2.082 8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.044 -3.636 7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.283 -2.257 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.050 -2.307 6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.977 -3.370 9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.019 -2.030 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.897 -1.797 10.388 1.00 0.00 H new ATOM 730 N LEU A 46 9.503 2.690 8.494 1.00 0.00 N ATOM 731 CA LEU A 46 9.182 4.071 8.151 1.00 0.00 C ATOM 732 C LEU A 46 7.776 4.176 7.570 1.00 0.00 C ATOM 733 O LEU A 46 7.080 5.169 7.777 1.00 0.00 O ATOM 734 CB LEU A 46 10.202 4.619 7.151 1.00 0.00 C ATOM 735 CG LEU A 46 11.470 5.228 7.750 1.00 0.00 C ATOM 736 CD1 LEU A 46 11.117 6.326 8.742 1.00 0.00 C ATOM 737 CD2 LEU A 46 12.314 4.153 8.419 1.00 0.00 C ATOM 0 H LEU A 46 10.388 2.355 8.113 1.00 0.00 H new ATOM 0 HA LEU A 46 9.222 4.665 9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.493 3.811 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.712 5.378 6.542 1.00 0.00 H new ATOM 0 HG LEU A 46 12.054 5.670 6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.032 6.748 9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.555 7.109 8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.511 5.909 9.546 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.212 4.605 8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.738 3.681 9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.597 3.401 7.682 1.00 0.00 H new ATOM 749 N GLY A 47 7.363 3.142 6.843 1.00 0.00 N ATOM 750 CA GLY A 47 6.040 3.137 6.245 1.00 0.00 C ATOM 751 C GLY A 47 5.826 1.953 5.323 1.00 0.00 C ATOM 752 O GLY A 47 4.696 1.499 5.136 1.00 0.00 O ATOM 0 H GLY A 47 7.920 2.308 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.288 3.120 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.894 4.061 5.685 1.00 0.00 H new ATOM 756 N LEU A 48 6.911 1.451 4.745 1.00 0.00 N ATOM 757 CA LEU A 48 6.836 0.313 3.835 1.00 0.00 C ATOM 758 C LEU A 48 6.350 -0.935 4.564 1.00 0.00 C ATOM 759 O LEU A 48 6.673 -1.151 5.732 1.00 0.00 O ATOM 760 CB LEU A 48 8.205 0.049 3.205 1.00 0.00 C ATOM 761 CG LEU A 48 8.387 -1.319 2.546 1.00 0.00 C ATOM 762 CD1 LEU A 48 7.504 -1.440 1.314 1.00 0.00 C ATOM 763 CD2 LEU A 48 9.847 -1.546 2.182 1.00 0.00 C ATOM 0 H LEU A 48 7.853 1.814 4.890 1.00 0.00 H new ATOM 0 HA LEU A 48 6.121 0.554 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.393 0.819 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.966 0.163 3.977 1.00 0.00 H new ATOM 0 HG LEU A 48 8.087 -2.087 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.647 -2.420 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.459 -1.323 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.772 -0.664 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.957 -2.524 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.173 -0.772 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.458 -1.504 3.084 1.00 0.00 H new ATOM 775 N LYS A 49 5.572 -1.756 3.866 1.00 0.00 N ATOM 776 CA LYS A 49 5.043 -2.986 4.444 1.00 0.00 C ATOM 777 C LYS A 49 4.226 -2.690 5.698 1.00 0.00 C ATOM 778 O LYS A 49 4.620 -3.049 6.807 1.00 0.00 O ATOM 779 CB LYS A 49 6.185 -3.947 4.782 1.00 0.00 C ATOM 780 CG LYS A 49 6.662 -4.765 3.594 1.00 0.00 C ATOM 781 CD LYS A 49 5.970 -6.116 3.532 1.00 0.00 C ATOM 782 CE LYS A 49 6.450 -6.934 2.343 1.00 0.00 C ATOM 783 NZ LYS A 49 6.258 -8.395 2.562 1.00 0.00 N ATOM 0 H LYS A 49 5.294 -1.592 2.899 1.00 0.00 H new ATOM 0 HA LYS A 49 4.389 -3.453 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.024 -3.376 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.858 -4.624 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.471 -4.215 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.740 -4.910 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.160 -6.666 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.892 -5.971 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.909 -6.627 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.505 -6.729 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.597 -8.918 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.795 -8.694 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.248 -8.594 2.708 1.00 0.00 H new ATOM 797 N VAL A 50 3.085 -2.034 5.514 1.00 0.00 N ATOM 798 CA VAL A 50 2.211 -1.692 6.630 1.00 0.00 C ATOM 799 C VAL A 50 1.339 -2.878 7.028 1.00 0.00 C ATOM 800 O VAL A 50 0.910 -3.660 6.180 1.00 0.00 O ATOM 801 CB VAL A 50 1.305 -0.495 6.287 1.00 0.00 C ATOM 802 CG1 VAL A 50 0.517 -0.768 5.015 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.370 -0.185 7.447 1.00 0.00 C ATOM 0 H VAL A 50 2.744 -1.729 4.602 1.00 0.00 H new ATOM 0 HA VAL A 50 2.856 -1.422 7.466 1.00 0.00 H new ATOM 0 HB VAL A 50 1.935 0.377 6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.117 0.089 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.207 -0.937 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.104 -1.652 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.263 0.664 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.255 -1.054 7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.957 0.058 8.333 1.00 0.00 H new ATOM 813 N LYS A 51 1.079 -3.005 8.325 1.00 0.00 N ATOM 814 CA LYS A 51 0.257 -4.094 8.838 1.00 0.00 C ATOM 815 C LYS A 51 -1.224 -3.815 8.601 1.00 0.00 C ATOM 816 O LYS A 51 -1.635 -2.663 8.468 1.00 0.00 O ATOM 817 CB LYS A 51 0.516 -4.296 10.332 1.00 0.00 C ATOM 818 CG LYS A 51 0.234 -5.709 10.812 1.00 0.00 C ATOM 819 CD LYS A 51 1.276 -6.690 10.301 1.00 0.00 C ATOM 820 CE LYS A 51 0.953 -8.116 10.722 1.00 0.00 C ATOM 821 NZ LYS A 51 0.075 -8.801 9.733 1.00 0.00 N ATOM 0 H LYS A 51 1.426 -2.366 9.040 1.00 0.00 H new ATOM 0 HA LYS A 51 0.528 -5.004 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.555 -4.048 10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.103 -3.599 10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.219 -5.728 11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.755 -6.018 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.328 -6.633 9.214 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.258 -6.411 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.879 -8.679 10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.464 -8.105 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.825 -9.057 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.110 -8.163 8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.546 -9.662 9.388 1.00 0.00 H new ATOM 835 N GLY A 52 -2.022 -4.878 8.551 1.00 0.00 N ATOM 836 CA GLY A 52 -3.448 -4.725 8.333 1.00 0.00 C ATOM 837 C GLY A 52 -3.780 -4.369 6.897 1.00 0.00 C ATOM 838 O GLY A 52 -4.938 -4.118 6.563 1.00 0.00 O ATOM 0 H GLY A 52 -1.706 -5.842 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.955 -5.652 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.832 -3.949 8.995 1.00 0.00 H new ATOM 842 N LYS A 53 -2.761 -4.346 6.044 1.00 0.00 N ATOM 843 CA LYS A 53 -2.949 -4.018 4.636 1.00 0.00 C ATOM 844 C LYS A 53 -1.621 -4.061 3.886 1.00 0.00 C ATOM 845 O LYS A 53 -1.076 -3.034 3.482 1.00 0.00 O ATOM 846 CB LYS A 53 -3.583 -2.633 4.494 1.00 0.00 C ATOM 847 CG LYS A 53 -2.988 -1.593 5.428 1.00 0.00 C ATOM 848 CD LYS A 53 -3.466 -0.193 5.081 1.00 0.00 C ATOM 849 CE LYS A 53 -4.946 -0.018 5.387 1.00 0.00 C ATOM 850 NZ LYS A 53 -5.247 -0.263 6.825 1.00 0.00 N ATOM 0 H LYS A 53 -1.796 -4.551 6.304 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.616 -4.762 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.467 -2.293 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.653 -2.711 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.262 -1.827 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.900 -1.632 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.888 0.540 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.286 0.003 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.256 0.992 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.528 -0.704 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.156 0.179 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.302 -1.287 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.493 0.147 7.412 1.00 0.00 H new ATOM 864 N PRO A 54 -1.088 -5.277 3.693 1.00 0.00 N ATOM 865 CA PRO A 54 0.181 -5.482 2.989 1.00 0.00 C ATOM 866 C PRO A 54 0.070 -5.186 1.497 1.00 0.00 C ATOM 867 O PRO A 54 -1.005 -5.300 0.910 1.00 0.00 O ATOM 868 CB PRO A 54 0.479 -6.965 3.219 1.00 0.00 C ATOM 869 CG PRO A 54 -0.855 -7.588 3.450 1.00 0.00 C ATOM 870 CD PRO A 54 -1.684 -6.544 4.148 1.00 0.00 C ATOM 0 HA PRO A 54 0.962 -4.815 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.978 -7.407 2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.137 -7.108 4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.315 -7.886 2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.766 -8.487 4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.736 -6.615 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.631 -6.647 5.232 1.00 0.00 H new ATOM 878 N ALA A 55 1.190 -4.806 0.889 1.00 0.00 N ATOM 879 CA ALA A 55 1.218 -4.496 -0.535 1.00 0.00 C ATOM 880 C ALA A 55 0.571 -5.609 -1.352 1.00 0.00 C ATOM 881 O ALA A 55 0.429 -6.736 -0.878 1.00 0.00 O ATOM 882 CB ALA A 55 2.649 -4.264 -0.996 1.00 0.00 C ATOM 0 H ALA A 55 2.089 -4.706 1.361 1.00 0.00 H new ATOM 0 HA ALA A 55 0.644 -3.583 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.655 -4.033 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.079 -3.430 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.239 -5.162 -0.816 1.00 0.00 H new ATOM 888 N GLU A 56 0.181 -5.285 -2.580 1.00 0.00 N ATOM 889 CA GLU A 56 -0.453 -6.258 -3.462 1.00 0.00 C ATOM 890 C GLU A 56 0.586 -6.965 -4.328 1.00 0.00 C ATOM 891 O GLU A 56 1.667 -6.432 -4.578 1.00 0.00 O ATOM 892 CB GLU A 56 -1.494 -5.574 -4.350 1.00 0.00 C ATOM 893 CG GLU A 56 -2.473 -6.540 -4.995 1.00 0.00 C ATOM 894 CD GLU A 56 -3.779 -5.874 -5.384 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.790 -5.134 -6.390 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.789 -6.093 -4.684 1.00 0.00 O ATOM 0 H GLU A 56 0.293 -4.356 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.951 -7.003 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.050 -4.851 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.981 -5.014 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.015 -6.978 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.678 -7.358 -4.305 1.00 0.00 H new ATOM 903 N ASN A 57 0.249 -8.167 -4.784 1.00 0.00 N ATOM 904 CA ASN A 57 1.152 -8.947 -5.622 1.00 0.00 C ATOM 905 C ASN A 57 1.329 -8.292 -6.988 1.00 0.00 C ATOM 906 O ASN A 57 2.413 -8.329 -7.570 1.00 0.00 O ATOM 907 CB ASN A 57 0.621 -10.372 -5.791 1.00 0.00 C ATOM 908 CG ASN A 57 -0.840 -10.400 -6.197 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.728 -10.362 -5.210 1.00 0.00 O flip ATOM 910 ND2 ASN A 57 -1.166 -10.454 -7.382 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.643 -8.622 -4.587 1.00 0.00 H new ATOM 0 HA ASN A 57 2.123 -8.985 -5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.214 -10.891 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.746 -10.917 -4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.449 -10.482 -8.107 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.153 -10.471 -7.639 1.00 0.00 H new ATOM 917 N ASP A 58 0.256 -7.694 -7.494 1.00 0.00 N ATOM 918 CA ASP A 58 0.293 -7.028 -8.791 1.00 0.00 C ATOM 919 C ASP A 58 1.401 -5.981 -8.834 1.00 0.00 C ATOM 920 O ASP A 58 1.925 -5.660 -9.901 1.00 0.00 O ATOM 921 CB ASP A 58 -1.057 -6.373 -9.090 1.00 0.00 C ATOM 922 CG ASP A 58 -2.061 -7.353 -9.665 1.00 0.00 C ATOM 923 OD1 ASP A 58 -2.061 -7.547 -10.898 1.00 0.00 O ATOM 924 OD2 ASP A 58 -2.848 -7.925 -8.881 1.00 0.00 O ATOM 0 H ASP A 58 -0.650 -7.657 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 58 0.500 -7.780 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.459 -5.941 -8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.912 -5.552 -9.792 1.00 0.00 H new ATOM 929 N VAL A 59 1.753 -5.451 -7.667 1.00 0.00 N ATOM 930 CA VAL A 59 2.799 -4.440 -7.571 1.00 0.00 C ATOM 931 C VAL A 59 4.065 -4.889 -8.292 1.00 0.00 C ATOM 932 O VAL A 59 4.543 -6.006 -8.094 1.00 0.00 O ATOM 933 CB VAL A 59 3.141 -4.124 -6.103 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.267 -3.105 -6.024 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.908 -3.627 -5.364 1.00 0.00 C ATOM 0 H VAL A 59 1.329 -5.705 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 59 2.413 -3.539 -8.048 1.00 0.00 H new ATOM 0 HB VAL A 59 3.480 -5.041 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.495 -2.894 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.154 -3.504 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.960 -2.185 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.168 -3.409 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.537 -2.721 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.134 -4.394 -5.390 1.00 0.00 H new ATOM 945 N LYS A 60 4.605 -4.010 -9.130 1.00 0.00 N ATOM 946 CA LYS A 60 5.818 -4.314 -9.880 1.00 0.00 C ATOM 947 C LYS A 60 6.525 -3.033 -10.313 1.00 0.00 C ATOM 948 O LYS A 60 6.005 -1.932 -10.127 1.00 0.00 O ATOM 949 CB LYS A 60 5.483 -5.164 -11.108 1.00 0.00 C ATOM 950 CG LYS A 60 4.269 -4.671 -11.877 1.00 0.00 C ATOM 951 CD LYS A 60 4.591 -4.450 -13.345 1.00 0.00 C ATOM 952 CE LYS A 60 3.391 -4.751 -14.230 1.00 0.00 C ATOM 953 NZ LYS A 60 2.436 -3.609 -14.278 1.00 0.00 N ATOM 0 H LYS A 60 4.222 -3.081 -9.307 1.00 0.00 H new ATOM 0 HA LYS A 60 6.487 -4.876 -9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.344 -5.178 -11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.309 -6.192 -10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.460 -5.396 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.912 -3.739 -11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.908 -3.418 -13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.427 -5.086 -13.635 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.733 -4.981 -15.239 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.878 -5.638 -13.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.633 -3.854 -14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.090 -3.405 -13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.918 -2.769 -14.658 1.00 0.00 H new ATOM 967 N LEU A 61 7.711 -3.185 -10.892 1.00 0.00 N ATOM 968 CA LEU A 61 8.489 -2.040 -11.353 1.00 0.00 C ATOM 969 C LEU A 61 7.655 -1.147 -12.267 1.00 0.00 C ATOM 970 O LEU A 61 7.677 0.077 -12.145 1.00 0.00 O ATOM 971 CB LEU A 61 9.743 -2.514 -12.089 1.00 0.00 C ATOM 972 CG LEU A 61 10.464 -1.461 -12.932 1.00 0.00 C ATOM 973 CD1 LEU A 61 10.901 -0.291 -12.065 1.00 0.00 C ATOM 974 CD2 LEU A 61 11.661 -2.076 -13.643 1.00 0.00 C ATOM 0 H LEU A 61 8.155 -4.089 -11.053 1.00 0.00 H new ATOM 0 HA LEU A 61 8.786 -1.458 -10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.446 -2.905 -11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.467 -3.344 -12.739 1.00 0.00 H new ATOM 0 HG LEU A 61 9.770 -1.089 -13.686 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.412 0.448 -12.682 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.026 0.165 -11.602 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.578 -0.647 -11.289 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.162 -1.313 -14.238 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.357 -2.476 -12.905 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.323 -2.881 -14.296 1.00 0.00 H new ATOM 986 N GLY A 62 6.918 -1.770 -13.182 1.00 0.00 N ATOM 987 CA GLY A 62 6.086 -1.017 -14.102 1.00 0.00 C ATOM 988 C GLY A 62 5.024 -0.203 -13.389 1.00 0.00 C ATOM 989 O GLY A 62 4.434 0.705 -13.973 1.00 0.00 O ATOM 0 H GLY A 62 6.882 -2.782 -13.302 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.714 -0.351 -14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.606 -1.704 -14.799 1.00 0.00 H new ATOM 993 N ALA A 63 4.781 -0.528 -12.124 1.00 0.00 N ATOM 994 CA ALA A 63 3.784 0.180 -11.331 1.00 0.00 C ATOM 995 C ALA A 63 4.411 1.347 -10.577 1.00 0.00 C ATOM 996 O ALA A 63 4.248 2.507 -10.960 1.00 0.00 O ATOM 997 CB ALA A 63 3.105 -0.775 -10.361 1.00 0.00 C ATOM 0 H ALA A 63 5.261 -1.278 -11.626 1.00 0.00 H new ATOM 0 HA ALA A 63 3.033 0.582 -12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.363 -0.232 -9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.614 -1.573 -10.919 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.851 -1.206 -9.692 1.00 0.00 H new ATOM 1003 N LEU A 64 5.126 1.035 -9.502 1.00 0.00 N ATOM 1004 CA LEU A 64 5.777 2.059 -8.692 1.00 0.00 C ATOM 1005 C LEU A 64 6.607 2.996 -9.564 1.00 0.00 C ATOM 1006 O LEU A 64 6.452 4.216 -9.506 1.00 0.00 O ATOM 1007 CB LEU A 64 6.668 1.409 -7.632 1.00 0.00 C ATOM 1008 CG LEU A 64 6.016 0.311 -6.790 1.00 0.00 C ATOM 1009 CD1 LEU A 64 4.523 0.563 -6.648 1.00 0.00 C ATOM 1010 CD2 LEU A 64 6.272 -1.057 -7.406 1.00 0.00 C ATOM 0 H LEU A 64 5.270 0.081 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 64 5.001 2.643 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.542 0.988 -8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.028 2.189 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 64 6.463 0.329 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.076 -0.228 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.361 1.525 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.060 0.573 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.801 -1.826 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.853 -1.087 -8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.346 -1.239 -7.454 1.00 0.00 H new ATOM 1022 N LYS A 65 7.487 2.418 -10.374 1.00 0.00 N ATOM 1023 CA LYS A 65 8.340 3.200 -11.261 1.00 0.00 C ATOM 1024 C LYS A 65 9.231 4.148 -10.465 1.00 0.00 C ATOM 1025 O LYS A 65 9.700 5.161 -10.985 1.00 0.00 O ATOM 1026 CB LYS A 65 7.486 3.997 -12.251 1.00 0.00 C ATOM 1027 CG LYS A 65 6.533 3.137 -13.062 1.00 0.00 C ATOM 1028 CD LYS A 65 5.391 3.958 -13.635 1.00 0.00 C ATOM 1029 CE LYS A 65 5.896 5.022 -14.597 1.00 0.00 C ATOM 1030 NZ LYS A 65 4.847 5.433 -15.571 1.00 0.00 N ATOM 0 H LYS A 65 7.628 1.410 -10.435 1.00 0.00 H new ATOM 0 HA LYS A 65 8.977 2.509 -11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.911 4.744 -11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.143 4.537 -12.932 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.078 2.654 -13.873 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.131 2.344 -12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.693 3.300 -14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.840 4.432 -12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.229 5.893 -14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.763 4.641 -15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.231 6.159 -16.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.547 4.607 -16.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.029 5.820 -15.058 1.00 0.00 H new ATOM 1044 N LEU A 66 9.462 3.812 -9.200 1.00 0.00 N ATOM 1045 CA LEU A 66 10.299 4.632 -8.331 1.00 0.00 C ATOM 1046 C LEU A 66 11.749 4.161 -8.369 1.00 0.00 C ATOM 1047 O LEU A 66 12.081 3.189 -9.049 1.00 0.00 O ATOM 1048 CB LEU A 66 9.774 4.589 -6.895 1.00 0.00 C ATOM 1049 CG LEU A 66 8.940 5.790 -6.449 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.780 5.340 -5.576 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.809 6.797 -5.708 1.00 0.00 C ATOM 0 H LEU A 66 9.081 2.978 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 66 10.260 5.659 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.170 3.689 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.625 4.493 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 66 8.533 6.275 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.198 6.209 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.144 4.658 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.166 4.830 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.199 7.645 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.246 6.323 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.605 7.144 -6.366 1.00 0.00 H new ATOM 1063 N LYS A 67 12.611 4.854 -7.632 1.00 0.00 N ATOM 1064 CA LYS A 67 14.025 4.505 -7.577 1.00 0.00 C ATOM 1065 C LYS A 67 14.431 4.101 -6.163 1.00 0.00 C ATOM 1066 O LYS A 67 13.831 4.523 -5.175 1.00 0.00 O ATOM 1067 CB LYS A 67 14.881 5.683 -8.048 1.00 0.00 C ATOM 1068 CG LYS A 67 14.880 6.858 -7.085 1.00 0.00 C ATOM 1069 CD LYS A 67 15.768 7.987 -7.582 1.00 0.00 C ATOM 1070 CE LYS A 67 15.058 8.837 -8.625 1.00 0.00 C ATOM 1071 NZ LYS A 67 15.166 8.248 -9.988 1.00 0.00 N ATOM 0 H LYS A 67 12.354 5.661 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 67 14.190 3.656 -8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.906 5.342 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.518 6.020 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.861 7.224 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.225 6.527 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.066 8.614 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.681 7.572 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.007 8.939 -8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.485 9.840 -8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.323 9.006 -10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.964 7.582 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.286 7.744 -10.219 1.00 0.00 H new ATOM 1085 N PRO A 68 15.476 3.265 -6.063 1.00 0.00 N ATOM 1086 CA PRO A 68 15.986 2.788 -4.774 1.00 0.00 C ATOM 1087 C PRO A 68 16.669 3.893 -3.976 1.00 0.00 C ATOM 1088 O PRO A 68 17.033 3.700 -2.817 1.00 0.00 O ATOM 1089 CB PRO A 68 16.999 1.711 -5.171 1.00 0.00 C ATOM 1090 CG PRO A 68 17.435 2.088 -6.545 1.00 0.00 C ATOM 1091 CD PRO A 68 16.238 2.722 -7.199 1.00 0.00 C ATOM 0 HA PRO A 68 15.187 2.424 -4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 68 17.842 1.687 -4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.548 0.719 -5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.275 2.782 -6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 68 17.767 1.213 -7.103 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.530 3.506 -7.898 1.00 0.00 H new ATOM 0 HD3 PRO A 68 15.655 1.993 -7.762 1.00 0.00 H new ATOM 1099 N ASN A 69 16.840 5.051 -4.604 1.00 0.00 N ATOM 1100 CA ASN A 69 17.479 6.188 -3.952 1.00 0.00 C ATOM 1101 C ASN A 69 16.709 6.601 -2.701 1.00 0.00 C ATOM 1102 O ASN A 69 17.284 7.136 -1.752 1.00 0.00 O ATOM 1103 CB ASN A 69 17.576 7.370 -4.919 1.00 0.00 C ATOM 1104 CG ASN A 69 18.775 8.253 -4.634 1.00 0.00 C ATOM 1105 OD1 ASN A 69 19.429 8.116 -3.600 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.068 9.167 -5.552 1.00 0.00 N ATOM 0 H ASN A 69 16.545 5.227 -5.564 1.00 0.00 H new ATOM 0 HA ASN A 69 18.484 5.887 -3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.639 6.996 -5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.666 7.966 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 69 19.863 9.791 -5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 69 18.498 9.245 -6.394 1.00 0.00 H new ATOM 1113 N THR A 70 15.404 6.349 -2.706 1.00 0.00 N ATOM 1114 CA THR A 70 14.554 6.694 -1.573 1.00 0.00 C ATOM 1115 C THR A 70 15.107 6.117 -0.275 1.00 0.00 C ATOM 1116 O THR A 70 15.119 6.785 0.759 1.00 0.00 O ATOM 1117 CB THR A 70 13.114 6.187 -1.776 1.00 0.00 C ATOM 1118 OG1 THR A 70 12.338 6.435 -0.598 1.00 0.00 O ATOM 1119 CG2 THR A 70 13.104 4.699 -2.093 1.00 0.00 C ATOM 0 H THR A 70 14.912 5.907 -3.483 1.00 0.00 H new ATOM 0 HA THR A 70 14.542 7.782 -1.507 1.00 0.00 H new ATOM 0 HB THR A 70 12.677 6.724 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.962 5.591 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.076 4.364 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.672 4.518 -3.006 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.557 4.148 -1.269 1.00 0.00 H new ATOM 1127 N LYS A 71 15.564 4.871 -0.335 1.00 0.00 N ATOM 1128 CA LYS A 71 16.121 4.202 0.835 1.00 0.00 C ATOM 1129 C LYS A 71 15.047 3.976 1.894 1.00 0.00 C ATOM 1130 O LYS A 71 14.200 4.839 2.127 1.00 0.00 O ATOM 1131 CB LYS A 71 17.266 5.029 1.424 1.00 0.00 C ATOM 1132 CG LYS A 71 18.625 4.362 1.297 1.00 0.00 C ATOM 1133 CD LYS A 71 19.755 5.355 1.509 1.00 0.00 C ATOM 1134 CE LYS A 71 20.452 5.131 2.843 1.00 0.00 C ATOM 1135 NZ LYS A 71 19.645 5.646 3.984 1.00 0.00 N ATOM 0 H LYS A 71 15.560 4.303 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 71 16.506 3.232 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.298 5.998 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.061 5.220 2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.706 3.556 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.718 3.909 0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.479 5.262 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.361 6.370 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.638 4.066 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 71 21.423 5.625 2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.154 5.474 4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.489 6.667 3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.728 5.156 4.010 1.00 0.00 H new ATOM 1149 N ILE A 72 15.089 2.812 2.534 1.00 0.00 N ATOM 1150 CA ILE A 72 14.120 2.475 3.570 1.00 0.00 C ATOM 1151 C ILE A 72 14.815 1.950 4.822 1.00 0.00 C ATOM 1152 O ILE A 72 15.850 1.290 4.738 1.00 0.00 O ATOM 1153 CB ILE A 72 13.112 1.421 3.076 1.00 0.00 C ATOM 1154 CG1 ILE A 72 12.042 1.169 4.141 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.828 0.127 2.721 1.00 0.00 C ATOM 1156 CD1 ILE A 72 12.366 0.012 5.060 1.00 0.00 C ATOM 0 H ILE A 72 15.783 2.087 2.353 1.00 0.00 H new ATOM 0 HA ILE A 72 13.584 3.393 3.812 1.00 0.00 H new ATOM 0 HB ILE A 72 12.623 1.800 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.915 2.072 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.089 0.976 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.101 -0.607 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.556 0.318 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.341 -0.259 3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.565 -0.109 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.464 -0.902 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.303 0.212 5.580 1.00 0.00 H new ATOM 1168 N MET A 73 14.237 2.246 5.981 1.00 0.00 N ATOM 1169 CA MET A 73 14.799 1.801 7.251 1.00 0.00 C ATOM 1170 C MET A 73 13.782 0.981 8.038 1.00 0.00 C ATOM 1171 O MET A 73 12.598 1.312 8.073 1.00 0.00 O ATOM 1172 CB MET A 73 15.254 3.003 8.081 1.00 0.00 C ATOM 1173 CG MET A 73 16.765 3.151 8.159 1.00 0.00 C ATOM 1174 SD MET A 73 17.506 2.068 9.396 1.00 0.00 S ATOM 1175 CE MET A 73 17.853 3.239 10.706 1.00 0.00 C ATOM 0 H MET A 73 13.380 2.792 6.067 1.00 0.00 H new ATOM 0 HA MET A 73 15.661 1.169 7.037 1.00 0.00 H new ATOM 0 HB2 MET A 73 14.830 3.911 7.653 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.854 2.909 9.091 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.199 2.932 7.183 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.013 4.186 8.393 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.315 2.719 11.545 1.00 0.00 H new ATOM 0 HE2 MET A 73 18.532 4.008 10.337 1.00 0.00 H new ATOM 0 HE3 MET A 73 16.923 3.704 11.034 1.00 0.00 H new ATOM 1185 N MET A 74 14.253 -0.091 8.667 1.00 0.00 N ATOM 1186 CA MET A 74 13.384 -0.958 9.454 1.00 0.00 C ATOM 1187 C MET A 74 13.849 -1.022 10.905 1.00 0.00 C ATOM 1188 O MET A 74 15.047 -0.988 11.184 1.00 0.00 O ATOM 1189 CB MET A 74 13.352 -2.365 8.854 1.00 0.00 C ATOM 1190 CG MET A 74 12.665 -2.433 7.500 1.00 0.00 C ATOM 1191 SD MET A 74 12.240 -4.118 7.021 1.00 0.00 S ATOM 1192 CE MET A 74 11.601 -3.850 5.369 1.00 0.00 C ATOM 0 H MET A 74 15.231 -0.380 8.647 1.00 0.00 H new ATOM 0 HA MET A 74 12.378 -0.538 9.432 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.374 -2.731 8.753 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.841 -3.034 9.546 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.759 -1.827 7.526 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.318 -1.998 6.743 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.612 -4.300 5.284 1.00 0.00 H new ATOM 0 HE2 MET A 74 11.531 -2.780 5.175 1.00 0.00 H new ATOM 0 HE3 MET A 74 12.271 -4.308 4.641 1.00 0.00 H new ATOM 1202 N MET A 75 12.894 -1.113 11.825 1.00 0.00 N ATOM 1203 CA MET A 75 13.208 -1.182 13.248 1.00 0.00 C ATOM 1204 C MET A 75 12.325 -2.209 13.950 1.00 0.00 C ATOM 1205 O MET A 75 11.189 -2.446 13.543 1.00 0.00 O ATOM 1206 CB MET A 75 13.029 0.191 13.898 1.00 0.00 C ATOM 1207 CG MET A 75 13.393 0.217 15.374 1.00 0.00 C ATOM 1208 SD MET A 75 13.318 1.874 16.080 1.00 0.00 S ATOM 1209 CE MET A 75 14.357 1.674 17.525 1.00 0.00 C ATOM 0 H MET A 75 11.897 -1.141 11.611 1.00 0.00 H new ATOM 0 HA MET A 75 14.248 -1.492 13.351 1.00 0.00 H new ATOM 0 HB2 MET A 75 13.644 0.918 13.368 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.992 0.506 13.782 1.00 0.00 H new ATOM 0 HG2 MET A 75 12.716 -0.438 15.922 1.00 0.00 H new ATOM 0 HG3 MET A 75 14.399 -0.183 15.503 1.00 0.00 H new ATOM 0 HE1 MET A 75 14.410 2.617 18.069 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.936 0.905 18.173 1.00 0.00 H new ATOM 0 HE3 MET A 75 15.359 1.378 17.215 1.00 0.00 H new ATOM 1219 N GLY A 76 12.856 -2.815 15.007 1.00 0.00 N ATOM 1220 CA GLY A 76 12.102 -3.809 15.748 1.00 0.00 C ATOM 1221 C GLY A 76 11.527 -4.888 14.851 1.00 0.00 C ATOM 1222 O GLY A 76 10.359 -5.257 14.981 1.00 0.00 O ATOM 0 H GLY A 76 13.795 -2.635 15.363 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.749 -4.269 16.495 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.291 -3.318 16.287 1.00 0.00 H new ATOM 1226 N THR A 77 12.348 -5.394 13.936 1.00 0.00 N ATOM 1227 CA THR A 77 11.913 -6.434 13.012 1.00 0.00 C ATOM 1228 C THR A 77 12.419 -7.804 13.449 1.00 0.00 C ATOM 1229 O THR A 77 12.832 -8.617 12.622 1.00 0.00 O ATOM 1230 CB THR A 77 12.402 -6.152 11.579 1.00 0.00 C ATOM 1231 OG1 THR A 77 12.543 -4.742 11.378 1.00 0.00 O ATOM 1232 CG2 THR A 77 11.432 -6.721 10.555 1.00 0.00 C ATOM 0 H THR A 77 13.317 -5.101 13.815 1.00 0.00 H new ATOM 0 HA THR A 77 10.823 -6.432 13.023 1.00 0.00 H new ATOM 0 HB THR A 77 13.370 -6.636 11.447 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.426 -4.552 10.998 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.798 -6.510 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.350 -7.799 10.692 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.452 -6.262 10.688 1.00 0.00 H new ATOM 1240 N ARG A 78 12.384 -8.054 14.754 1.00 0.00 N ATOM 1241 CA ARG A 78 12.840 -9.327 15.301 1.00 0.00 C ATOM 1242 C ARG A 78 12.055 -9.691 16.558 1.00 0.00 C ATOM 1243 O ARG A 78 11.480 -8.823 17.214 1.00 0.00 O ATOM 1244 CB ARG A 78 14.334 -9.263 15.620 1.00 0.00 C ATOM 1245 CG ARG A 78 14.943 -10.613 15.960 1.00 0.00 C ATOM 1246 CD ARG A 78 16.442 -10.629 15.706 1.00 0.00 C ATOM 1247 NE ARG A 78 16.755 -10.694 14.281 1.00 0.00 N ATOM 1248 CZ ARG A 78 17.964 -10.976 13.806 1.00 0.00 C ATOM 1249 NH1 ARG A 78 18.967 -11.217 14.639 1.00 0.00 N ATOM 1250 NH2 ARG A 78 18.170 -11.017 12.496 1.00 0.00 N ATOM 0 H ARG A 78 12.045 -7.392 15.452 1.00 0.00 H new ATOM 0 HA ARG A 78 12.669 -10.099 14.551 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.862 -8.841 14.765 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.489 -8.583 16.457 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.748 -10.848 17.006 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.464 -11.390 15.364 1.00 0.00 H new ATOM 0 HD2 ARG A 78 16.892 -9.734 16.136 1.00 0.00 H new ATOM 0 HD3 ARG A 78 16.887 -11.485 16.214 1.00 0.00 H new ATOM 0 HE ARG A 78 16.005 -10.513 13.614 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.812 -11.186 15.647 1.00 0.00 H new ATOM 0 HH12 ARG A 78 19.894 -11.433 14.272 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.400 -10.832 11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.098 -11.233 12.132 1.00 0.00 H new ATOM 1264 N GLU A 79 12.037 -10.979 16.886 1.00 0.00 N ATOM 1265 CA GLU A 79 11.322 -11.456 18.064 1.00 0.00 C ATOM 1266 C GLU A 79 12.203 -11.370 19.307 1.00 0.00 C ATOM 1267 O GLU A 79 12.454 -12.374 19.973 1.00 0.00 O ATOM 1268 CB GLU A 79 10.856 -12.899 17.855 1.00 0.00 C ATOM 1269 CG GLU A 79 10.084 -13.107 16.563 1.00 0.00 C ATOM 1270 CD GLU A 79 9.685 -14.555 16.349 1.00 0.00 C ATOM 1271 OE1 GLU A 79 9.875 -15.367 17.278 1.00 0.00 O ATOM 1272 OE2 GLU A 79 9.182 -14.875 15.252 1.00 0.00 O ATOM 0 H GLU A 79 12.509 -11.710 16.353 1.00 0.00 H new ATOM 0 HA GLU A 79 10.451 -10.818 18.212 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.725 -13.557 17.859 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.228 -13.195 18.695 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.189 -12.485 16.575 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.693 -12.774 15.723 1.00 0.00 H new ATOM 1279 N GLU A 80 12.669 -10.163 19.613 1.00 0.00 N ATOM 1280 CA GLU A 80 13.523 -9.947 20.775 1.00 0.00 C ATOM 1281 C GLU A 80 12.688 -9.614 22.008 1.00 0.00 C ATOM 1282 O GLU A 80 12.201 -8.494 22.158 1.00 0.00 O ATOM 1283 CB GLU A 80 14.519 -8.818 20.500 1.00 0.00 C ATOM 1284 CG GLU A 80 15.785 -8.907 21.335 1.00 0.00 C ATOM 1285 CD GLU A 80 15.503 -8.904 22.825 1.00 0.00 C ATOM 1286 OE1 GLU A 80 14.738 -8.029 23.282 1.00 0.00 O ATOM 1287 OE2 GLU A 80 16.046 -9.777 23.534 1.00 0.00 O ATOM 0 H GLU A 80 12.470 -9.321 19.073 1.00 0.00 H new ATOM 0 HA GLU A 80 14.073 -10.868 20.967 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.789 -8.832 19.444 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.033 -7.861 20.692 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.325 -9.817 21.073 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.437 -8.068 21.091 1.00 0.00 H new ATOM 1294 N SER A 81 12.528 -10.596 22.889 1.00 0.00 N ATOM 1295 CA SER A 81 11.750 -10.411 24.108 1.00 0.00 C ATOM 1296 C SER A 81 12.358 -11.196 25.266 1.00 0.00 C ATOM 1297 O SER A 81 13.173 -12.093 25.060 1.00 0.00 O ATOM 1298 CB SER A 81 10.301 -10.849 23.885 1.00 0.00 C ATOM 1299 OG SER A 81 10.227 -11.900 22.936 1.00 0.00 O ATOM 0 H SER A 81 12.927 -11.528 22.781 1.00 0.00 H new ATOM 0 HA SER A 81 11.767 -9.351 24.362 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.867 -11.176 24.830 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.710 -10.001 23.540 1.00 0.00 H new ATOM 0 HG SER A 81 9.291 -12.164 22.812 1.00 0.00 H new TER 1305 SER A 81