USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 834 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 GLY N :NH3+ -124:sc= 0.0915 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 93:sc= 1.3 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 18 THR OG1 : rot -94:sc= -0.0873 USER MOD Single : A 19 THR OG1 : rot 74:sc= 1.28 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= -1.92! C(o=-1.9!,f=-4.6!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.49! K(o=-4.5!,f=-2.6) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.038 USER MOD Single : A 39 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.0056) USER MOD Single : A 40 CYS SG : rot -7:sc= -9! USER MOD Single : A 42 THR OG1 : rot 171:sc= 0.116 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.028 X(o=-0.028,f=0) USER MOD Single : A 57 ASN : amide:sc= -4.2 K(o=-4.2,f=-0.32) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.99 X(o=-4,f=-3.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0395 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.0058) USER MOD Single : A 69 THR OG1 : rot 81:sc= 0.0152 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -0.0429 (180deg=-0.366) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0952 X(o=-0.095,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00802) USER MOD Single : A 91 SER OG : rot 130:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.897 K(o=-0.9,f=-5.6!) USER MOD Single : A 98 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.55) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.381 -3.802 -7.158 1.00 0.00 N ATOM 2 CA GLY A 1 24.840 -4.242 -5.854 1.00 0.00 C ATOM 3 C GLY A 1 23.774 -4.102 -4.786 1.00 0.00 C ATOM 4 O GLY A 1 22.625 -3.778 -5.085 1.00 0.00 O ATOM 0 H1 GLY A 1 24.499 -4.573 -7.846 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.376 -3.539 -7.102 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.938 -2.978 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.154 -5.284 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.717 -3.662 -5.566 1.00 0.00 H new ATOM 8 N SER A 2 24.155 -4.348 -3.536 1.00 0.00 N ATOM 9 CA SER A 2 23.222 -4.253 -2.420 1.00 0.00 C ATOM 10 C SER A 2 23.120 -2.816 -1.918 1.00 0.00 C ATOM 11 O SER A 2 22.024 -2.301 -1.693 1.00 0.00 O ATOM 12 CB SER A 2 23.661 -5.173 -1.280 1.00 0.00 C ATOM 13 OG SER A 2 22.707 -5.179 -0.232 1.00 0.00 O ATOM 0 H SER A 2 25.103 -4.615 -3.271 1.00 0.00 H new ATOM 0 HA SER A 2 22.240 -4.567 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.797 -6.186 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.626 -4.845 -0.895 1.00 0.00 H new ATOM 0 HG SER A 2 23.011 -5.776 0.483 1.00 0.00 H new ATOM 19 N SER A 3 24.270 -2.173 -1.744 1.00 0.00 N ATOM 20 CA SER A 3 24.312 -0.797 -1.265 1.00 0.00 C ATOM 21 C SER A 3 23.808 0.167 -2.335 1.00 0.00 C ATOM 22 O SER A 3 24.141 0.035 -3.511 1.00 0.00 O ATOM 23 CB SER A 3 25.738 -0.421 -0.855 1.00 0.00 C ATOM 24 OG SER A 3 26.616 -0.464 -1.966 1.00 0.00 O ATOM 0 H SER A 3 25.186 -2.583 -1.928 1.00 0.00 H new ATOM 0 HA SER A 3 23.659 -0.721 -0.396 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.743 0.579 -0.422 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.090 -1.105 -0.083 1.00 0.00 H new ATOM 0 HG SER A 3 27.520 -0.218 -1.678 1.00 0.00 H new ATOM 30 N GLY A 4 23.000 1.136 -1.915 1.00 0.00 N ATOM 31 CA GLY A 4 22.462 2.108 -2.849 1.00 0.00 C ATOM 32 C GLY A 4 23.543 2.948 -3.500 1.00 0.00 C ATOM 33 O GLY A 4 24.017 3.923 -2.916 1.00 0.00 O ATOM 0 H GLY A 4 22.709 1.265 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.895 1.589 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.764 2.762 -2.326 1.00 0.00 H new ATOM 37 N SER A 5 23.935 2.569 -4.712 1.00 0.00 N ATOM 38 CA SER A 5 24.971 3.291 -5.441 1.00 0.00 C ATOM 39 C SER A 5 24.637 4.777 -5.531 1.00 0.00 C ATOM 40 O SER A 5 25.480 5.632 -5.258 1.00 0.00 O ATOM 41 CB SER A 5 25.137 2.708 -6.846 1.00 0.00 C ATOM 42 OG SER A 5 26.252 3.280 -7.507 1.00 0.00 O ATOM 0 H SER A 5 23.551 1.766 -5.210 1.00 0.00 H new ATOM 0 HA SER A 5 25.908 3.179 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.263 1.627 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.233 2.889 -7.428 1.00 0.00 H new ATOM 0 HG SER A 5 26.337 2.890 -8.402 1.00 0.00 H new ATOM 48 N SER A 6 23.401 5.077 -5.916 1.00 0.00 N ATOM 49 CA SER A 6 22.955 6.459 -6.046 1.00 0.00 C ATOM 50 C SER A 6 21.542 6.628 -5.496 1.00 0.00 C ATOM 51 O SER A 6 20.588 6.051 -6.016 1.00 0.00 O ATOM 52 CB SER A 6 22.999 6.895 -7.512 1.00 0.00 C ATOM 53 OG SER A 6 22.425 8.180 -7.679 1.00 0.00 O ATOM 0 H SER A 6 22.690 4.381 -6.143 1.00 0.00 H new ATOM 0 HA SER A 6 23.630 7.089 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.032 6.906 -7.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.463 6.171 -8.126 1.00 0.00 H new ATOM 0 HG SER A 6 22.467 8.437 -8.624 1.00 0.00 H new ATOM 59 N GLY A 7 21.416 7.424 -4.438 1.00 0.00 N ATOM 60 CA GLY A 7 20.117 7.656 -3.834 1.00 0.00 C ATOM 61 C GLY A 7 19.838 6.713 -2.681 1.00 0.00 C ATOM 62 O GLY A 7 18.732 6.189 -2.552 1.00 0.00 O ATOM 0 H GLY A 7 22.191 7.912 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.063 8.685 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.341 7.539 -4.591 1.00 0.00 H new ATOM 66 N TYR A 8 20.844 6.495 -1.840 1.00 0.00 N ATOM 67 CA TYR A 8 20.702 5.605 -0.694 1.00 0.00 C ATOM 68 C TYR A 8 19.719 6.177 0.322 1.00 0.00 C ATOM 69 O TYR A 8 18.744 5.525 0.695 1.00 0.00 O ATOM 70 CB TYR A 8 22.061 5.373 -0.031 1.00 0.00 C ATOM 71 CG TYR A 8 22.826 6.648 0.244 1.00 0.00 C ATOM 72 CD1 TYR A 8 23.588 7.252 -0.747 1.00 0.00 C ATOM 73 CD2 TYR A 8 22.785 7.249 1.496 1.00 0.00 C ATOM 74 CE1 TYR A 8 24.289 8.417 -0.500 1.00 0.00 C ATOM 75 CE2 TYR A 8 23.481 8.414 1.753 1.00 0.00 C ATOM 76 CZ TYR A 8 24.232 8.994 0.752 1.00 0.00 C ATOM 77 OH TYR A 8 24.927 10.155 1.002 1.00 0.00 O ATOM 0 H TYR A 8 21.766 6.922 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 8 20.312 4.652 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.912 4.839 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.663 4.729 -0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 8 23.634 6.803 -1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 8 22.198 6.797 2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 8 24.878 8.873 -1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 8 23.437 8.868 2.732 1.00 0.00 H new ATOM 0 HH TYR A 8 24.780 10.431 1.931 1.00 0.00 H new ATOM 87 N ARG A 9 19.983 7.402 0.765 1.00 0.00 N ATOM 88 CA ARG A 9 19.123 8.064 1.739 1.00 0.00 C ATOM 89 C ARG A 9 17.661 7.688 1.517 1.00 0.00 C ATOM 90 O ARG A 9 16.976 7.246 2.439 1.00 0.00 O ATOM 91 CB ARG A 9 19.289 9.582 1.649 1.00 0.00 C ATOM 92 CG ARG A 9 18.655 10.334 2.808 1.00 0.00 C ATOM 93 CD ARG A 9 19.398 11.626 3.107 1.00 0.00 C ATOM 94 NE ARG A 9 18.891 12.284 4.309 1.00 0.00 N ATOM 95 CZ ARG A 9 17.846 13.103 4.313 1.00 0.00 C ATOM 96 NH1 ARG A 9 17.200 13.364 3.185 1.00 0.00 N ATOM 97 NH2 ARG A 9 17.444 13.663 5.447 1.00 0.00 N ATOM 0 H ARG A 9 20.785 7.956 0.465 1.00 0.00 H new ATOM 0 HA ARG A 9 19.419 7.731 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.352 9.821 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 9 18.849 9.932 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 9 17.615 10.558 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.652 9.701 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.460 11.413 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.305 12.302 2.257 1.00 0.00 H new ATOM 0 HE ARG A 9 19.366 12.104 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.506 12.935 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.397 13.994 3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.938 13.464 6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.641 14.292 5.449 1.00 0.00 H new ATOM 111 N ALA A 10 17.189 7.867 0.288 1.00 0.00 N ATOM 112 CA ALA A 10 15.809 7.545 -0.056 1.00 0.00 C ATOM 113 C ALA A 10 15.576 6.039 -0.037 1.00 0.00 C ATOM 114 O ALA A 10 14.615 5.555 0.563 1.00 0.00 O ATOM 115 CB ALA A 10 15.457 8.119 -1.420 1.00 0.00 C ATOM 0 H ALA A 10 17.742 8.233 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 10 15.159 7.996 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.424 7.871 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.575 9.202 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.120 7.696 -2.175 1.00 0.00 H new ATOM 121 N THR A 11 16.461 5.299 -0.698 1.00 0.00 N ATOM 122 CA THR A 11 16.351 3.847 -0.759 1.00 0.00 C ATOM 123 C THR A 11 16.090 3.257 0.622 1.00 0.00 C ATOM 124 O THR A 11 15.264 2.357 0.779 1.00 0.00 O ATOM 125 CB THR A 11 17.626 3.211 -1.344 1.00 0.00 C ATOM 126 OG1 THR A 11 17.867 3.719 -2.660 1.00 0.00 O ATOM 127 CG2 THR A 11 17.499 1.696 -1.395 1.00 0.00 C ATOM 0 H THR A 11 17.263 5.682 -1.199 1.00 0.00 H new ATOM 0 HA THR A 11 15.509 3.621 -1.413 1.00 0.00 H new ATOM 0 HB THR A 11 18.465 3.468 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.470 4.490 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.411 1.268 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.344 1.310 -0.388 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.651 1.423 -2.023 1.00 0.00 H new ATOM 135 N LYS A 12 16.797 3.770 1.623 1.00 0.00 N ATOM 136 CA LYS A 12 16.641 3.296 2.993 1.00 0.00 C ATOM 137 C LYS A 12 15.170 3.266 3.394 1.00 0.00 C ATOM 138 O LYS A 12 14.677 2.262 3.910 1.00 0.00 O ATOM 139 CB LYS A 12 17.425 4.190 3.956 1.00 0.00 C ATOM 140 CG LYS A 12 17.718 3.533 5.294 1.00 0.00 C ATOM 141 CD LYS A 12 18.671 4.371 6.130 1.00 0.00 C ATOM 142 CE LYS A 12 18.663 3.935 7.588 1.00 0.00 C ATOM 143 NZ LYS A 12 19.911 4.339 8.293 1.00 0.00 N ATOM 0 H LYS A 12 17.485 4.515 1.511 1.00 0.00 H new ATOM 0 HA LYS A 12 17.035 2.281 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.367 4.476 3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.862 5.107 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.786 3.386 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.149 2.546 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.681 4.285 5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.389 5.422 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.802 4.373 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.549 2.852 7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.868 4.024 9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.731 3.901 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.007 5.374 8.263 1.00 0.00 H new ATOM 157 N LEU A 13 14.473 4.371 3.153 1.00 0.00 N ATOM 158 CA LEU A 13 13.057 4.471 3.488 1.00 0.00 C ATOM 159 C LEU A 13 12.219 3.572 2.584 1.00 0.00 C ATOM 160 O LEU A 13 11.512 2.684 3.059 1.00 0.00 O ATOM 161 CB LEU A 13 12.584 5.921 3.364 1.00 0.00 C ATOM 162 CG LEU A 13 12.696 6.773 4.629 1.00 0.00 C ATOM 163 CD1 LEU A 13 11.874 6.167 5.756 1.00 0.00 C ATOM 164 CD2 LEU A 13 14.152 6.919 5.046 1.00 0.00 C ATOM 0 H LEU A 13 14.866 5.210 2.727 1.00 0.00 H new ATOM 0 HA LEU A 13 12.929 4.140 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.158 6.403 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.542 5.916 3.044 1.00 0.00 H new ATOM 0 HG LEU A 13 12.300 7.765 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.966 6.787 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.827 6.116 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.239 5.163 5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.213 7.528 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.574 5.934 5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.713 7.400 4.245 1.00 0.00 H new ATOM 176 N TRP A 14 12.305 3.809 1.280 1.00 0.00 N ATOM 177 CA TRP A 14 11.556 3.019 0.309 1.00 0.00 C ATOM 178 C TRP A 14 11.576 1.540 0.679 1.00 0.00 C ATOM 179 O TRP A 14 10.541 0.875 0.669 1.00 0.00 O ATOM 180 CB TRP A 14 12.135 3.214 -1.093 1.00 0.00 C ATOM 181 CG TRP A 14 11.618 2.224 -2.093 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.237 1.080 -2.509 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.376 2.292 -2.802 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.455 0.433 -3.435 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.308 1.155 -3.631 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.315 3.200 -2.816 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.220 0.906 -4.465 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.236 2.952 -3.644 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.195 1.813 -4.458 1.00 0.00 C ATOM 0 H TRP A 14 12.885 4.541 0.871 1.00 0.00 H new ATOM 0 HA TRP A 14 10.522 3.363 0.319 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.903 4.222 -1.437 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.221 3.136 -1.044 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.199 0.735 -2.161 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.691 -0.443 -3.901 1.00 0.00 H new ATOM 0 HE3 TRP A 14 9.337 4.080 -2.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.187 0.029 -5.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.411 3.648 -3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.337 1.647 -5.093 1.00 0.00 H new ATOM 200 N ASN A 15 12.760 1.032 1.005 1.00 0.00 N ATOM 201 CA ASN A 15 12.914 -0.370 1.378 1.00 0.00 C ATOM 202 C ASN A 15 12.137 -0.681 2.654 1.00 0.00 C ATOM 203 O ASN A 15 11.566 -1.762 2.796 1.00 0.00 O ATOM 204 CB ASN A 15 14.393 -0.708 1.573 1.00 0.00 C ATOM 205 CG ASN A 15 14.684 -2.179 1.346 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.998 -3.049 1.883 1.00 0.00 O ATOM 207 ND2 ASN A 15 15.707 -2.463 0.548 1.00 0.00 N ATOM 0 H ASN A 15 13.627 1.570 1.019 1.00 0.00 H new ATOM 0 HA ASN A 15 12.512 -0.982 0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.993 -0.111 0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.696 -0.432 2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.952 -3.435 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.248 -1.709 0.124 1.00 0.00 H new ATOM 214 N GLU A 16 12.121 0.274 3.579 1.00 0.00 N ATOM 215 CA GLU A 16 11.415 0.101 4.843 1.00 0.00 C ATOM 216 C GLU A 16 9.904 0.151 4.633 1.00 0.00 C ATOM 217 O GLU A 16 9.189 -0.796 4.963 1.00 0.00 O ATOM 218 CB GLU A 16 11.838 1.180 5.841 1.00 0.00 C ATOM 219 CG GLU A 16 13.076 0.815 6.644 1.00 0.00 C ATOM 220 CD GLU A 16 13.613 1.982 7.449 1.00 0.00 C ATOM 221 OE1 GLU A 16 13.407 3.140 7.029 1.00 0.00 O ATOM 222 OE2 GLU A 16 14.241 1.737 8.501 1.00 0.00 O ATOM 0 H GLU A 16 12.589 1.175 3.477 1.00 0.00 H new ATOM 0 HA GLU A 16 11.677 -0.878 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.026 2.108 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.013 1.371 6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.838 -0.008 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.852 0.458 5.967 1.00 0.00 H new ATOM 229 N VAL A 17 9.426 1.262 4.083 1.00 0.00 N ATOM 230 CA VAL A 17 8.001 1.436 3.828 1.00 0.00 C ATOM 231 C VAL A 17 7.450 0.294 2.983 1.00 0.00 C ATOM 232 O VAL A 17 6.340 -0.187 3.215 1.00 0.00 O ATOM 233 CB VAL A 17 7.717 2.772 3.115 1.00 0.00 C ATOM 234 CG1 VAL A 17 8.626 2.935 1.906 1.00 0.00 C ATOM 235 CG2 VAL A 17 6.254 2.858 2.708 1.00 0.00 C ATOM 0 H VAL A 17 10.004 2.055 3.805 1.00 0.00 H new ATOM 0 HA VAL A 17 7.504 1.438 4.798 1.00 0.00 H new ATOM 0 HB VAL A 17 7.925 3.586 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.411 3.884 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.667 2.921 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.452 2.117 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.071 3.808 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.016 2.038 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.625 2.790 3.595 1.00 0.00 H new ATOM 245 N THR A 18 8.233 -0.138 1.999 1.00 0.00 N ATOM 246 CA THR A 18 7.824 -1.224 1.117 1.00 0.00 C ATOM 247 C THR A 18 7.645 -2.524 1.892 1.00 0.00 C ATOM 248 O THR A 18 6.653 -3.233 1.718 1.00 0.00 O ATOM 249 CB THR A 18 8.848 -1.448 -0.011 1.00 0.00 C ATOM 250 OG1 THR A 18 10.153 -1.647 0.545 1.00 0.00 O ATOM 251 CG2 THR A 18 8.873 -0.263 -0.963 1.00 0.00 C ATOM 0 H THR A 18 9.154 0.248 1.793 1.00 0.00 H new ATOM 0 HA THR A 18 6.870 -0.932 0.678 1.00 0.00 H new ATOM 0 HB THR A 18 8.551 -2.336 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.630 -0.791 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.604 -0.445 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.886 -0.132 -1.407 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.147 0.638 -0.415 1.00 0.00 H new ATOM 259 N THR A 19 8.612 -2.834 2.751 1.00 0.00 N ATOM 260 CA THR A 19 8.562 -4.049 3.553 1.00 0.00 C ATOM 261 C THR A 19 7.327 -4.069 4.445 1.00 0.00 C ATOM 262 O THR A 19 6.580 -5.047 4.466 1.00 0.00 O ATOM 263 CB THR A 19 9.819 -4.194 4.432 1.00 0.00 C ATOM 264 OG1 THR A 19 10.985 -4.293 3.607 1.00 0.00 O ATOM 265 CG2 THR A 19 9.717 -5.423 5.323 1.00 0.00 C ATOM 0 H THR A 19 9.440 -2.259 2.908 1.00 0.00 H new ATOM 0 HA THR A 19 8.516 -4.886 2.856 1.00 0.00 H new ATOM 0 HB THR A 19 9.896 -3.310 5.065 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.189 -3.415 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.616 -5.505 5.934 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.845 -5.332 5.970 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.617 -6.314 4.703 1.00 0.00 H new ATOM 273 N SER A 20 7.116 -2.982 5.181 1.00 0.00 N ATOM 274 CA SER A 20 5.971 -2.876 6.078 1.00 0.00 C ATOM 275 C SER A 20 4.662 -2.965 5.300 1.00 0.00 C ATOM 276 O SER A 20 3.846 -3.856 5.536 1.00 0.00 O ATOM 277 CB SER A 20 6.027 -1.560 6.856 1.00 0.00 C ATOM 278 OG SER A 20 6.871 -1.673 7.989 1.00 0.00 O ATOM 0 H SER A 20 7.723 -2.162 5.174 1.00 0.00 H new ATOM 0 HA SER A 20 6.013 -3.708 6.781 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.391 -0.765 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.023 -1.278 7.173 1.00 0.00 H new ATOM 0 HG SER A 20 6.891 -0.818 8.468 1.00 0.00 H new ATOM 284 N PHE A 21 4.468 -2.034 4.372 1.00 0.00 N ATOM 285 CA PHE A 21 3.258 -2.006 3.559 1.00 0.00 C ATOM 286 C PHE A 21 2.977 -3.377 2.952 1.00 0.00 C ATOM 287 O PHE A 21 1.857 -3.883 3.026 1.00 0.00 O ATOM 288 CB PHE A 21 3.388 -0.961 2.448 1.00 0.00 C ATOM 289 CG PHE A 21 2.341 -1.089 1.379 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.531 -1.943 0.304 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.168 -0.356 1.449 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.569 -2.063 -0.682 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.202 -0.472 0.466 1.00 0.00 C ATOM 294 CZ PHE A 21 0.404 -1.326 -0.601 1.00 0.00 C ATOM 0 H PHE A 21 5.133 -1.289 4.164 1.00 0.00 H new ATOM 0 HA PHE A 21 2.423 -1.737 4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.327 0.035 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.374 -1.048 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.441 -2.521 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.006 0.314 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.729 -2.732 -1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.709 0.104 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.348 -1.417 -1.371 1.00 0.00 H new ATOM 304 N ARG A 22 4.003 -3.973 2.352 1.00 0.00 N ATOM 305 CA ARG A 22 3.867 -5.285 1.731 1.00 0.00 C ATOM 306 C ARG A 22 3.100 -6.240 2.640 1.00 0.00 C ATOM 307 O ARG A 22 2.096 -6.826 2.236 1.00 0.00 O ATOM 308 CB ARG A 22 5.245 -5.866 1.410 1.00 0.00 C ATOM 309 CG ARG A 22 5.195 -7.097 0.520 1.00 0.00 C ATOM 310 CD ARG A 22 5.019 -8.368 1.338 1.00 0.00 C ATOM 311 NE ARG A 22 6.230 -8.715 2.077 1.00 0.00 N ATOM 312 CZ ARG A 22 6.500 -9.941 2.510 1.00 0.00 C ATOM 313 NH1 ARG A 22 5.650 -10.932 2.278 1.00 0.00 N ATOM 314 NH2 ARG A 22 7.623 -10.179 3.176 1.00 0.00 N ATOM 0 H ARG A 22 4.937 -3.568 2.283 1.00 0.00 H new ATOM 0 HA ARG A 22 3.306 -5.164 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.848 -5.100 0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.748 -6.122 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.372 -7.002 -0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.113 -7.163 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.193 -8.238 2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.750 -9.191 0.676 1.00 0.00 H new ATOM 0 HE ARG A 22 6.905 -7.975 2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.786 -10.754 1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.860 -11.873 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.280 -9.420 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.829 -11.121 3.508 1.00 0.00 H new ATOM 328 N ALA A 23 3.581 -6.393 3.869 1.00 0.00 N ATOM 329 CA ALA A 23 2.940 -7.276 4.836 1.00 0.00 C ATOM 330 C ALA A 23 1.625 -6.685 5.332 1.00 0.00 C ATOM 331 O ALA A 23 0.554 -7.245 5.101 1.00 0.00 O ATOM 332 CB ALA A 23 3.875 -7.545 6.006 1.00 0.00 C ATOM 0 H ALA A 23 4.412 -5.917 4.219 1.00 0.00 H new ATOM 0 HA ALA A 23 2.719 -8.220 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.383 -8.206 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.787 -8.018 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.126 -6.604 6.495 1.00 0.00 H new ATOM 338 N GLY A 24 1.713 -5.548 6.016 1.00 0.00 N ATOM 339 CA GLY A 24 0.522 -4.900 6.535 1.00 0.00 C ATOM 340 C GLY A 24 -0.563 -5.892 6.904 1.00 0.00 C ATOM 341 O GLY A 24 -0.433 -6.630 7.880 1.00 0.00 O ATOM 0 H GLY A 24 2.587 -5.064 6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.786 -4.311 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.136 -4.205 5.789 1.00 0.00 H new ATOM 345 N MET A 25 -1.638 -5.908 6.123 1.00 0.00 N ATOM 346 CA MET A 25 -2.751 -6.817 6.374 1.00 0.00 C ATOM 347 C MET A 25 -3.081 -7.629 5.125 1.00 0.00 C ATOM 348 O MET A 25 -2.760 -7.243 4.001 1.00 0.00 O ATOM 349 CB MET A 25 -3.984 -6.034 6.828 1.00 0.00 C ATOM 350 CG MET A 25 -4.034 -5.796 8.328 1.00 0.00 C ATOM 351 SD MET A 25 -2.997 -4.415 8.848 1.00 0.00 S ATOM 352 CE MET A 25 -3.226 -4.469 10.623 1.00 0.00 C ATOM 0 H MET A 25 -1.762 -5.303 5.312 1.00 0.00 H new ATOM 0 HA MET A 25 -2.455 -7.505 7.166 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.003 -5.072 6.315 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.880 -6.575 6.524 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.064 -5.604 8.627 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.715 -6.700 8.846 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.646 -3.673 11.089 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.282 -4.334 10.858 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.890 -5.433 11.004 1.00 0.00 H new ATOM 362 N PRO A 26 -3.739 -8.781 5.325 1.00 0.00 N ATOM 363 CA PRO A 26 -4.127 -9.671 4.227 1.00 0.00 C ATOM 364 C PRO A 26 -5.233 -9.076 3.362 1.00 0.00 C ATOM 365 O PRO A 26 -5.116 -9.021 2.137 1.00 0.00 O ATOM 366 CB PRO A 26 -4.628 -10.925 4.947 1.00 0.00 C ATOM 367 CG PRO A 26 -5.070 -10.443 6.286 1.00 0.00 C ATOM 368 CD PRO A 26 -4.154 -9.303 6.638 1.00 0.00 C ATOM 0 HA PRO A 26 -3.300 -9.858 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.449 -11.392 4.403 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.839 -11.672 5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.109 -10.115 6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.006 -11.239 7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.666 -8.544 7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.300 -9.640 7.225 1.00 0.00 H new ATOM 376 N LEU A 27 -6.307 -8.632 4.006 1.00 0.00 N ATOM 377 CA LEU A 27 -7.434 -8.039 3.294 1.00 0.00 C ATOM 378 C LEU A 27 -7.884 -6.746 3.967 1.00 0.00 C ATOM 379 O LEU A 27 -7.372 -6.374 5.023 1.00 0.00 O ATOM 380 CB LEU A 27 -8.600 -9.028 3.233 1.00 0.00 C ATOM 381 CG LEU A 27 -8.656 -9.925 1.996 1.00 0.00 C ATOM 382 CD1 LEU A 27 -8.885 -9.093 0.744 1.00 0.00 C ATOM 383 CD2 LEU A 27 -7.377 -10.740 1.870 1.00 0.00 C ATOM 0 H LEU A 27 -6.421 -8.671 5.019 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.110 -7.805 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.557 -9.664 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.531 -8.465 3.291 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.493 -10.614 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.922 -9.748 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.828 -8.554 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.069 -8.380 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.434 -11.373 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.524 -10.067 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.255 -11.365 2.755 1.00 0.00 H new ATOM 395 N ARG A 28 -8.846 -6.068 3.350 1.00 0.00 N ATOM 396 CA ARG A 28 -9.365 -4.817 3.889 1.00 0.00 C ATOM 397 C ARG A 28 -10.883 -4.875 4.031 1.00 0.00 C ATOM 398 O ARG A 28 -11.519 -5.847 3.623 1.00 0.00 O ATOM 399 CB ARG A 28 -8.971 -3.645 2.989 1.00 0.00 C ATOM 400 CG ARG A 28 -7.623 -3.036 3.338 1.00 0.00 C ATOM 401 CD ARG A 28 -7.687 -2.248 4.637 1.00 0.00 C ATOM 402 NE ARG A 28 -6.392 -2.194 5.309 1.00 0.00 N ATOM 403 CZ ARG A 28 -6.105 -1.340 6.285 1.00 0.00 C ATOM 404 NH1 ARG A 28 -7.018 -0.473 6.701 1.00 0.00 N ATOM 405 NH2 ARG A 28 -4.904 -1.352 6.848 1.00 0.00 N ATOM 0 H ARG A 28 -9.282 -6.364 2.477 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.930 -4.669 4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.950 -3.984 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.737 -2.873 3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.878 -3.826 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.298 -2.381 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.030 -1.234 4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.421 -2.703 5.301 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.668 -2.848 5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.943 -0.461 6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.795 0.182 7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.199 -2.018 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.685 -0.695 7.597 1.00 0.00 H new ATOM 419 N LYS A 29 -11.459 -3.828 4.612 1.00 0.00 N ATOM 420 CA LYS A 29 -12.902 -3.758 4.808 1.00 0.00 C ATOM 421 C LYS A 29 -13.578 -3.068 3.627 1.00 0.00 C ATOM 422 O LYS A 29 -13.430 -1.861 3.432 1.00 0.00 O ATOM 423 CB LYS A 29 -13.226 -3.009 6.103 1.00 0.00 C ATOM 424 CG LYS A 29 -13.038 -3.850 7.354 1.00 0.00 C ATOM 425 CD LYS A 29 -11.619 -3.748 7.886 1.00 0.00 C ATOM 426 CE LYS A 29 -11.567 -3.993 9.386 1.00 0.00 C ATOM 427 NZ LYS A 29 -11.593 -5.445 9.712 1.00 0.00 N ATOM 0 H LYS A 29 -10.948 -3.015 4.956 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.284 -4.776 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.592 -2.125 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.257 -2.659 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.740 -3.524 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.270 -4.892 7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.985 -4.473 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.216 -2.760 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.662 -3.545 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.412 -3.498 9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.556 -5.570 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.469 -5.868 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.772 -5.913 9.277 1.00 0.00 H new ATOM 441 N HIS A 30 -14.322 -3.842 2.843 1.00 0.00 N ATOM 442 CA HIS A 30 -15.023 -3.304 1.682 1.00 0.00 C ATOM 443 C HIS A 30 -16.086 -4.281 1.188 1.00 0.00 C ATOM 444 O HIS A 30 -16.039 -5.472 1.498 1.00 0.00 O ATOM 445 CB HIS A 30 -14.032 -2.999 0.558 1.00 0.00 C ATOM 446 CG HIS A 30 -13.045 -4.099 0.314 1.00 0.00 C ATOM 447 ND1 HIS A 30 -13.415 -5.413 0.121 1.00 0.00 N ATOM 448 CD2 HIS A 30 -11.694 -4.074 0.232 1.00 0.00 C ATOM 449 CE1 HIS A 30 -12.335 -6.149 -0.068 1.00 0.00 C ATOM 450 NE2 HIS A 30 -11.277 -5.361 -0.006 1.00 0.00 N ATOM 0 H HIS A 30 -14.455 -4.843 2.990 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.516 -2.380 1.982 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.586 -2.808 -0.361 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.491 -2.084 0.800 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -14.373 -5.762 0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.062 -3.204 0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.320 -7.215 -0.243 1.00 0.00 H new ATOM 458 N ARG A 31 -17.042 -3.770 0.420 1.00 0.00 N ATOM 459 CA ARG A 31 -18.117 -4.597 -0.114 1.00 0.00 C ATOM 460 C ARG A 31 -17.569 -5.645 -1.079 1.00 0.00 C ATOM 461 O ARG A 31 -16.460 -5.507 -1.595 1.00 0.00 O ATOM 462 CB ARG A 31 -19.154 -3.726 -0.826 1.00 0.00 C ATOM 463 CG ARG A 31 -20.155 -3.078 0.116 1.00 0.00 C ATOM 464 CD ARG A 31 -21.177 -2.246 -0.643 1.00 0.00 C ATOM 465 NE ARG A 31 -21.706 -1.154 0.170 1.00 0.00 N ATOM 466 CZ ARG A 31 -22.895 -0.598 -0.031 1.00 0.00 C ATOM 467 NH1 ARG A 31 -23.675 -1.029 -1.014 1.00 0.00 N ATOM 468 NH2 ARG A 31 -23.308 0.391 0.751 1.00 0.00 N ATOM 0 H ARG A 31 -17.094 -2.787 0.153 1.00 0.00 H new ATOM 0 HA ARG A 31 -18.595 -5.111 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.638 -2.946 -1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.693 -4.336 -1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.667 -3.849 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.628 -2.446 0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -20.716 -1.838 -1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -21.997 -2.887 -0.967 1.00 0.00 H new ATOM 0 HE ARG A 31 -21.131 -0.799 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -23.362 -1.789 -1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -24.588 -0.600 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -22.712 0.725 1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -24.222 0.817 0.595 1.00 0.00 H new ATOM 482 N GLN A 32 -18.353 -6.691 -1.316 1.00 0.00 N ATOM 483 CA GLN A 32 -17.945 -7.763 -2.217 1.00 0.00 C ATOM 484 C GLN A 32 -16.679 -8.446 -1.712 1.00 0.00 C ATOM 485 O GLN A 32 -15.780 -8.764 -2.492 1.00 0.00 O ATOM 486 CB GLN A 32 -17.716 -7.213 -3.626 1.00 0.00 C ATOM 487 CG GLN A 32 -18.981 -7.142 -4.465 1.00 0.00 C ATOM 488 CD GLN A 32 -18.836 -6.226 -5.664 1.00 0.00 C ATOM 489 OE1 GLN A 32 -19.312 -5.091 -5.654 1.00 0.00 O ATOM 490 NE2 GLN A 32 -18.176 -6.716 -6.707 1.00 0.00 N ATOM 0 H GLN A 32 -19.274 -6.820 -0.897 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.746 -8.502 -2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.283 -6.215 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.986 -7.840 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -19.242 -8.143 -4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -19.805 -6.793 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.798 -7.663 -6.672 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.047 -6.146 -7.543 1.00 0.00 H new ATOM 499 N HIS A 33 -16.613 -8.668 -0.403 1.00 0.00 N ATOM 500 CA HIS A 33 -15.456 -9.314 0.206 1.00 0.00 C ATOM 501 C HIS A 33 -15.141 -10.633 -0.492 1.00 0.00 C ATOM 502 O HIS A 33 -14.054 -10.812 -1.042 1.00 0.00 O ATOM 503 CB HIS A 33 -15.706 -9.557 1.694 1.00 0.00 C ATOM 504 CG HIS A 33 -17.106 -9.988 2.004 1.00 0.00 C ATOM 505 ND1 HIS A 33 -17.437 -11.283 2.343 1.00 0.00 N ATOM 506 CD2 HIS A 33 -18.264 -9.287 2.026 1.00 0.00 C ATOM 507 CE1 HIS A 33 -18.738 -11.360 2.559 1.00 0.00 C ATOM 508 NE2 HIS A 33 -19.263 -10.163 2.373 1.00 0.00 N ATOM 0 H HIS A 33 -17.347 -8.410 0.256 1.00 0.00 H new ATOM 0 HA HIS A 33 -14.599 -8.650 0.094 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.013 -10.319 2.051 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -15.486 -8.643 2.245 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -18.380 -8.235 1.811 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -19.280 -12.251 2.840 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -20.250 -9.927 2.471 1.00 0.00 H new ATOM 516 N PHE A 34 -16.097 -11.555 -0.464 1.00 0.00 N ATOM 517 CA PHE A 34 -15.921 -12.859 -1.091 1.00 0.00 C ATOM 518 C PHE A 34 -16.921 -13.055 -2.228 1.00 0.00 C ATOM 519 O PHE A 34 -17.168 -14.179 -2.666 1.00 0.00 O ATOM 520 CB PHE A 34 -16.084 -13.974 -0.056 1.00 0.00 C ATOM 521 CG PHE A 34 -17.496 -14.470 0.073 1.00 0.00 C ATOM 522 CD1 PHE A 34 -18.522 -13.602 0.412 1.00 0.00 C ATOM 523 CD2 PHE A 34 -17.798 -15.805 -0.144 1.00 0.00 C ATOM 524 CE1 PHE A 34 -19.822 -14.056 0.531 1.00 0.00 C ATOM 525 CE2 PHE A 34 -19.096 -16.264 -0.027 1.00 0.00 C ATOM 526 CZ PHE A 34 -20.109 -15.389 0.313 1.00 0.00 C ATOM 0 H PHE A 34 -17.002 -11.423 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.913 -12.902 -1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.438 -14.808 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.745 -13.611 0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -18.303 -12.559 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.010 -16.495 -0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -20.613 -13.369 0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -19.318 -17.306 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 34 -21.124 -15.747 0.408 1.00 0.00 H new ATOM 536 N LYS A 35 -17.494 -11.954 -2.700 1.00 0.00 N ATOM 537 CA LYS A 35 -18.466 -12.001 -3.786 1.00 0.00 C ATOM 538 C LYS A 35 -17.792 -12.367 -5.104 1.00 0.00 C ATOM 539 O LYS A 35 -18.049 -13.428 -5.672 1.00 0.00 O ATOM 540 CB LYS A 35 -19.177 -10.653 -3.921 1.00 0.00 C ATOM 541 CG LYS A 35 -20.367 -10.497 -2.990 1.00 0.00 C ATOM 542 CD LYS A 35 -21.599 -11.198 -3.538 1.00 0.00 C ATOM 543 CE LYS A 35 -22.638 -11.429 -2.452 1.00 0.00 C ATOM 544 NZ LYS A 35 -23.668 -12.419 -2.871 1.00 0.00 N ATOM 0 H LYS A 35 -17.302 -11.016 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.201 -12.770 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.463 -9.854 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.513 -10.531 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.120 -10.906 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.583 -9.438 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -22.034 -10.599 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -21.311 -12.153 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -22.144 -11.780 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -23.122 -10.484 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.358 -12.548 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -24.157 -12.073 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -23.210 -13.329 -3.082 1.00 0.00 H new ATOM 558 N LYS A 36 -16.926 -11.482 -5.586 1.00 0.00 N ATOM 559 CA LYS A 36 -16.212 -11.711 -6.836 1.00 0.00 C ATOM 560 C LYS A 36 -14.732 -11.978 -6.577 1.00 0.00 C ATOM 561 O LYS A 36 -14.112 -12.799 -7.253 1.00 0.00 O ATOM 562 CB LYS A 36 -16.368 -10.506 -7.766 1.00 0.00 C ATOM 563 CG LYS A 36 -17.560 -10.609 -8.701 1.00 0.00 C ATOM 564 CD LYS A 36 -17.159 -11.168 -10.056 1.00 0.00 C ATOM 565 CE LYS A 36 -17.340 -12.677 -10.113 1.00 0.00 C ATOM 566 NZ LYS A 36 -16.530 -13.292 -11.199 1.00 0.00 N ATOM 0 H LYS A 36 -16.702 -10.598 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.644 -12.590 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.467 -9.603 -7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.460 -10.396 -8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.321 -11.249 -8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.008 -9.624 -8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.759 -10.699 -10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.118 -10.918 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.055 -13.113 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.393 -12.911 -10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.681 -14.321 -11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.819 -12.895 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.523 -13.091 -11.037 1.00 0.00 H new ATOM 580 N TYR A 37 -14.174 -11.282 -5.593 1.00 0.00 N ATOM 581 CA TYR A 37 -12.767 -11.443 -5.245 1.00 0.00 C ATOM 582 C TYR A 37 -12.612 -11.885 -3.793 1.00 0.00 C ATOM 583 O TYR A 37 -13.595 -12.023 -3.066 1.00 0.00 O ATOM 584 CB TYR A 37 -12.010 -10.135 -5.475 1.00 0.00 C ATOM 585 CG TYR A 37 -12.861 -8.900 -5.281 1.00 0.00 C ATOM 586 CD1 TYR A 37 -13.768 -8.498 -6.254 1.00 0.00 C ATOM 587 CD2 TYR A 37 -12.758 -8.135 -4.126 1.00 0.00 C ATOM 588 CE1 TYR A 37 -14.548 -7.370 -6.081 1.00 0.00 C ATOM 589 CE2 TYR A 37 -13.534 -7.007 -3.944 1.00 0.00 C ATOM 590 CZ TYR A 37 -14.427 -6.629 -4.925 1.00 0.00 C ATOM 591 OH TYR A 37 -15.201 -5.505 -4.748 1.00 0.00 O ATOM 0 H TYR A 37 -14.674 -10.601 -5.022 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.346 -12.216 -5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.161 -10.092 -4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.606 -10.132 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.865 -9.077 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.059 -8.427 -3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.248 -7.071 -6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -13.442 -6.425 -3.039 1.00 0.00 H new ATOM 0 HH TYR A 37 -14.994 -5.099 -3.880 1.00 0.00 H new ATOM 601 N GLY A 38 -11.369 -12.105 -3.378 1.00 0.00 N ATOM 602 CA GLY A 38 -11.106 -12.528 -2.014 1.00 0.00 C ATOM 603 C GLY A 38 -9.880 -11.858 -1.426 1.00 0.00 C ATOM 604 O GLY A 38 -9.966 -11.181 -0.403 1.00 0.00 O ATOM 0 H GLY A 38 -10.539 -11.998 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.973 -12.302 -1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.971 -13.609 -1.992 1.00 0.00 H new ATOM 608 N ASN A 39 -8.735 -12.050 -2.072 1.00 0.00 N ATOM 609 CA ASN A 39 -7.485 -11.461 -1.605 1.00 0.00 C ATOM 610 C ASN A 39 -7.280 -10.073 -2.205 1.00 0.00 C ATOM 611 O ASN A 39 -6.230 -9.456 -2.023 1.00 0.00 O ATOM 612 CB ASN A 39 -6.305 -12.365 -1.966 1.00 0.00 C ATOM 613 CG ASN A 39 -6.255 -13.618 -1.113 1.00 0.00 C ATOM 614 OD1 ASN A 39 -6.302 -14.735 -1.629 1.00 0.00 O ATOM 615 ND2 ASN A 39 -6.159 -13.438 0.199 1.00 0.00 N ATOM 0 H ASN A 39 -8.647 -12.609 -2.921 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.541 -11.364 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.375 -12.647 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.375 -11.809 -1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.121 -14.244 0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.123 -12.494 0.583 1.00 0.00 H new ATOM 622 N CYS A 40 -8.289 -9.589 -2.920 1.00 0.00 N ATOM 623 CA CYS A 40 -8.220 -8.274 -3.548 1.00 0.00 C ATOM 624 C CYS A 40 -8.714 -7.190 -2.595 1.00 0.00 C ATOM 625 O CYS A 40 -9.423 -7.474 -1.630 1.00 0.00 O ATOM 626 CB CYS A 40 -9.047 -8.256 -4.834 1.00 0.00 C ATOM 627 SG CYS A 40 -8.424 -7.122 -6.097 1.00 0.00 S ATOM 0 H CYS A 40 -9.165 -10.087 -3.080 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.178 -8.069 -3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.076 -9.264 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -10.073 -7.982 -4.589 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.450 -6.416 -5.604 1.00 0.00 H new ATOM 633 N PHE A 41 -8.333 -5.948 -2.873 1.00 0.00 N ATOM 634 CA PHE A 41 -8.735 -4.821 -2.039 1.00 0.00 C ATOM 635 C PHE A 41 -8.756 -3.527 -2.847 1.00 0.00 C ATOM 636 O PHE A 41 -8.114 -3.423 -3.893 1.00 0.00 O ATOM 637 CB PHE A 41 -7.786 -4.676 -0.847 1.00 0.00 C ATOM 638 CG PHE A 41 -6.344 -4.912 -1.198 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.826 -6.197 -1.228 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.508 -3.849 -1.497 1.00 0.00 C ATOM 641 CE1 PHE A 41 -4.500 -6.416 -1.549 1.00 0.00 C ATOM 642 CE2 PHE A 41 -4.180 -4.062 -1.819 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.676 -5.348 -1.846 1.00 0.00 C ATOM 0 H PHE A 41 -7.747 -5.696 -3.669 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.742 -5.015 -1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.891 -3.675 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.082 -5.379 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.466 -7.036 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.898 -2.842 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.108 -7.422 -1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.538 -3.224 -2.049 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.640 -5.518 -2.099 1.00 0.00 H new ATOM 653 N THR A 42 -9.499 -2.540 -2.355 1.00 0.00 N ATOM 654 CA THR A 42 -9.606 -1.253 -3.030 1.00 0.00 C ATOM 655 C THR A 42 -8.399 -0.373 -2.729 1.00 0.00 C ATOM 656 O THR A 42 -7.785 -0.486 -1.669 1.00 0.00 O ATOM 657 CB THR A 42 -10.888 -0.507 -2.617 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.994 -0.469 -1.189 1.00 0.00 O ATOM 659 CG2 THR A 42 -12.120 -1.180 -3.204 1.00 0.00 C ATOM 0 H THR A 42 -10.036 -2.608 -1.490 1.00 0.00 H new ATOM 0 HA THR A 42 -9.644 -1.459 -4.100 1.00 0.00 H new ATOM 0 HB THR A 42 -10.830 0.510 -3.004 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.728 0.127 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.013 -0.635 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.050 -1.181 -4.292 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.180 -2.207 -2.843 1.00 0.00 H new ATOM 667 N ALA A 43 -8.064 0.505 -3.669 1.00 0.00 N ATOM 668 CA ALA A 43 -6.931 1.408 -3.502 1.00 0.00 C ATOM 669 C ALA A 43 -7.154 2.359 -2.331 1.00 0.00 C ATOM 670 O ALA A 43 -6.324 2.453 -1.429 1.00 0.00 O ATOM 671 CB ALA A 43 -6.689 2.193 -4.783 1.00 0.00 C ATOM 0 H ALA A 43 -8.561 0.610 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.048 0.807 -3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.841 2.863 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.476 1.502 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.577 2.777 -5.025 1.00 0.00 H new ATOM 677 N GLY A 44 -8.283 3.062 -2.352 1.00 0.00 N ATOM 678 CA GLY A 44 -8.594 3.997 -1.287 1.00 0.00 C ATOM 679 C GLY A 44 -8.119 3.511 0.068 1.00 0.00 C ATOM 680 O GLY A 44 -7.233 4.112 0.674 1.00 0.00 O ATOM 0 H GLY A 44 -8.987 3.000 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.132 4.960 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.671 4.160 -1.254 1.00 0.00 H new ATOM 684 N GLU A 45 -8.712 2.421 0.545 1.00 0.00 N ATOM 685 CA GLU A 45 -8.345 1.857 1.838 1.00 0.00 C ATOM 686 C GLU A 45 -6.831 1.867 2.027 1.00 0.00 C ATOM 687 O GLU A 45 -6.328 2.275 3.074 1.00 0.00 O ATOM 688 CB GLU A 45 -8.876 0.427 1.965 1.00 0.00 C ATOM 689 CG GLU A 45 -10.270 0.347 2.564 1.00 0.00 C ATOM 690 CD GLU A 45 -11.300 1.104 1.749 1.00 0.00 C ATOM 691 OE1 GLU A 45 -11.185 2.344 1.651 1.00 0.00 O ATOM 692 OE2 GLU A 45 -12.221 0.456 1.208 1.00 0.00 O ATOM 0 H GLU A 45 -9.448 1.912 0.056 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.795 2.475 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.886 -0.037 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.190 -0.153 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.569 -0.698 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.249 0.747 3.578 1.00 0.00 H new ATOM 699 N ALA A 46 -6.110 1.415 1.006 1.00 0.00 N ATOM 700 CA ALA A 46 -4.654 1.373 1.058 1.00 0.00 C ATOM 701 C ALA A 46 -4.082 2.718 1.493 1.00 0.00 C ATOM 702 O ALA A 46 -3.225 2.784 2.375 1.00 0.00 O ATOM 703 CB ALA A 46 -4.089 0.970 -0.296 1.00 0.00 C ATOM 0 H ALA A 46 -6.511 1.073 0.133 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.362 0.627 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.001 0.943 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.464 -0.017 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.397 1.695 -1.049 1.00 0.00 H new ATOM 709 N VAL A 47 -4.560 3.790 0.869 1.00 0.00 N ATOM 710 CA VAL A 47 -4.096 5.134 1.192 1.00 0.00 C ATOM 711 C VAL A 47 -3.927 5.310 2.697 1.00 0.00 C ATOM 712 O VAL A 47 -2.888 5.775 3.166 1.00 0.00 O ATOM 713 CB VAL A 47 -5.070 6.205 0.667 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.586 7.597 1.044 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.237 6.080 -0.840 1.00 0.00 C ATOM 0 H VAL A 47 -5.269 3.754 0.136 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.130 5.261 0.704 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.043 6.046 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.287 8.341 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.522 7.679 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.602 7.770 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.929 6.844 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.270 6.212 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.632 5.093 -1.082 1.00 0.00 H new ATOM 725 N ASP A 48 -4.956 4.934 3.450 1.00 0.00 N ATOM 726 CA ASP A 48 -4.922 5.049 4.903 1.00 0.00 C ATOM 727 C ASP A 48 -3.843 4.147 5.494 1.00 0.00 C ATOM 728 O ASP A 48 -3.022 4.590 6.298 1.00 0.00 O ATOM 729 CB ASP A 48 -6.285 4.690 5.497 1.00 0.00 C ATOM 730 CG ASP A 48 -6.362 4.973 6.984 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.031 4.067 7.777 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.753 6.099 7.355 1.00 0.00 O ATOM 0 H ASP A 48 -5.823 4.547 3.078 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.685 6.083 5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.062 5.255 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.488 3.634 5.320 1.00 0.00 H new ATOM 737 N TRP A 49 -3.851 2.882 5.092 1.00 0.00 N ATOM 738 CA TRP A 49 -2.874 1.917 5.583 1.00 0.00 C ATOM 739 C TRP A 49 -1.453 2.439 5.398 1.00 0.00 C ATOM 740 O TRP A 49 -0.673 2.495 6.349 1.00 0.00 O ATOM 741 CB TRP A 49 -3.037 0.580 4.858 1.00 0.00 C ATOM 742 CG TRP A 49 -1.794 -0.257 4.868 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.264 -0.950 3.818 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.927 -0.491 5.984 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.119 -1.600 4.213 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.109 -1.334 5.537 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.925 -0.068 7.316 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.134 -1.762 6.376 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.093 -0.494 8.148 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.112 -1.333 7.675 1.00 0.00 C ATOM 0 H TRP A 49 -4.523 2.500 4.427 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.051 1.769 6.648 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.848 0.019 5.323 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.331 0.768 3.825 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.683 -0.983 2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.466 -2.185 3.617 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.705 0.580 7.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.919 -2.410 6.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.104 -0.175 9.180 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.895 -1.647 8.349 1.00 0.00 H new ATOM 761 N LEU A 50 -1.123 2.821 4.169 1.00 0.00 N ATOM 762 CA LEU A 50 0.205 3.340 3.860 1.00 0.00 C ATOM 763 C LEU A 50 0.449 4.669 4.568 1.00 0.00 C ATOM 764 O LEU A 50 1.384 4.801 5.357 1.00 0.00 O ATOM 765 CB LEU A 50 0.365 3.517 2.349 1.00 0.00 C ATOM 766 CG LEU A 50 1.776 3.846 1.858 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.634 2.591 1.821 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.723 4.500 0.485 1.00 0.00 C ATOM 0 H LEU A 50 -1.756 2.781 3.371 1.00 0.00 H new ATOM 0 HA LEU A 50 0.942 2.620 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.036 2.601 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.306 4.312 2.023 1.00 0.00 H new ATOM 0 HG LEU A 50 2.229 4.550 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.634 2.844 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.698 2.165 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.185 1.863 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.735 4.727 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.251 3.820 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.145 5.422 0.543 1.00 0.00 H new ATOM 780 N TYR A 51 -0.400 5.650 4.281 1.00 0.00 N ATOM 781 CA TYR A 51 -0.276 6.969 4.891 1.00 0.00 C ATOM 782 C TYR A 51 0.111 6.856 6.362 1.00 0.00 C ATOM 783 O TYR A 51 1.166 7.337 6.776 1.00 0.00 O ATOM 784 CB TYR A 51 -1.590 7.741 4.756 1.00 0.00 C ATOM 785 CG TYR A 51 -1.735 8.869 5.753 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.118 10.095 5.538 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.487 8.707 6.910 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.247 11.128 6.447 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.622 9.734 7.823 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.001 10.943 7.587 1.00 0.00 C ATOM 791 OH TYR A 51 -2.132 11.969 8.495 1.00 0.00 O ATOM 0 H TYR A 51 -1.180 5.557 3.631 1.00 0.00 H new ATOM 0 HA TYR A 51 0.512 7.510 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.661 8.148 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.423 7.049 4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.528 10.243 4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.974 7.762 7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.760 12.075 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.211 9.592 8.717 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.696 11.676 9.241 1.00 0.00 H new ATOM 801 N ASP A 52 -0.749 6.216 7.146 1.00 0.00 N ATOM 802 CA ASP A 52 -0.498 6.037 8.571 1.00 0.00 C ATOM 803 C ASP A 52 0.914 5.511 8.812 1.00 0.00 C ATOM 804 O ASP A 52 1.648 6.032 9.652 1.00 0.00 O ATOM 805 CB ASP A 52 -1.523 5.077 9.175 1.00 0.00 C ATOM 806 CG ASP A 52 -1.299 4.846 10.656 1.00 0.00 C ATOM 807 OD1 ASP A 52 -1.643 5.743 11.455 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.780 3.769 11.017 1.00 0.00 O ATOM 0 H ASP A 52 -1.627 5.812 6.819 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.593 7.009 9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.525 5.476 9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.476 4.123 8.650 1.00 0.00 H new ATOM 813 N LEU A 53 1.287 4.474 8.070 1.00 0.00 N ATOM 814 CA LEU A 53 2.611 3.875 8.203 1.00 0.00 C ATOM 815 C LEU A 53 3.704 4.900 7.916 1.00 0.00 C ATOM 816 O LEU A 53 4.698 4.982 8.638 1.00 0.00 O ATOM 817 CB LEU A 53 2.751 2.684 7.254 1.00 0.00 C ATOM 818 CG LEU A 53 4.036 1.866 7.389 1.00 0.00 C ATOM 819 CD1 LEU A 53 3.903 0.844 8.507 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.372 1.179 6.073 1.00 0.00 C ATOM 0 H LEU A 53 0.692 4.031 7.370 1.00 0.00 H new ATOM 0 HA LEU A 53 2.724 3.529 9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.902 2.018 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.684 3.051 6.230 1.00 0.00 H new ATOM 0 HG LEU A 53 4.851 2.545 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.827 0.271 8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.711 1.358 9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.076 0.169 8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.289 0.602 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.557 0.513 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.511 1.930 5.296 1.00 0.00 H new ATOM 832 N LEU A 54 3.511 5.682 6.859 1.00 0.00 N ATOM 833 CA LEU A 54 4.479 6.704 6.477 1.00 0.00 C ATOM 834 C LEU A 54 4.641 7.741 7.583 1.00 0.00 C ATOM 835 O LEU A 54 5.733 7.924 8.121 1.00 0.00 O ATOM 836 CB LEU A 54 4.043 7.388 5.180 1.00 0.00 C ATOM 837 CG LEU A 54 3.834 6.471 3.974 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.119 7.213 2.857 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.167 5.922 3.485 1.00 0.00 C ATOM 0 H LEU A 54 2.693 5.628 6.252 1.00 0.00 H new ATOM 0 HA LEU A 54 5.441 6.217 6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.112 7.923 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.792 8.135 4.917 1.00 0.00 H new ATOM 0 HG LEU A 54 3.209 5.633 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.979 6.545 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.147 7.557 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.717 8.071 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.000 5.272 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.816 6.748 3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.641 5.353 4.284 1.00 0.00 H new ATOM 851 N ARG A 55 3.546 8.416 7.919 1.00 0.00 N ATOM 852 CA ARG A 55 3.566 9.434 8.963 1.00 0.00 C ATOM 853 C ARG A 55 4.182 8.885 10.246 1.00 0.00 C ATOM 854 O ARG A 55 4.995 9.547 10.889 1.00 0.00 O ATOM 855 CB ARG A 55 2.149 9.939 9.239 1.00 0.00 C ATOM 856 CG ARG A 55 1.226 8.878 9.816 1.00 0.00 C ATOM 857 CD ARG A 55 -0.142 9.452 10.149 1.00 0.00 C ATOM 858 NE ARG A 55 -0.133 10.195 11.406 1.00 0.00 N ATOM 859 CZ ARG A 55 -1.233 10.520 12.076 1.00 0.00 C ATOM 860 NH1 ARG A 55 -2.424 10.169 11.612 1.00 0.00 N ATOM 861 NH2 ARG A 55 -1.142 11.197 13.214 1.00 0.00 N ATOM 0 H ARG A 55 2.634 8.276 7.484 1.00 0.00 H new ATOM 0 HA ARG A 55 4.179 10.265 8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.200 10.779 9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.720 10.316 8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.116 8.062 9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.673 8.455 10.716 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.465 10.109 9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.869 8.642 10.212 1.00 0.00 H new ATOM 0 HE ARG A 55 0.768 10.480 11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.498 9.648 10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.267 10.420 12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.227 11.468 13.574 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.987 11.446 13.728 1.00 0.00 H new ATOM 875 N ASN A 56 3.787 7.670 10.613 1.00 0.00 N ATOM 876 CA ASN A 56 4.298 7.032 11.821 1.00 0.00 C ATOM 877 C ASN A 56 5.813 7.191 11.920 1.00 0.00 C ATOM 878 O ASN A 56 6.349 7.464 12.993 1.00 0.00 O ATOM 879 CB ASN A 56 3.928 5.547 11.835 1.00 0.00 C ATOM 880 CG ASN A 56 4.080 4.926 13.210 1.00 0.00 C ATOM 881 OD1 ASN A 56 4.863 3.995 13.399 1.00 0.00 O ATOM 882 ND2 ASN A 56 3.330 5.441 14.177 1.00 0.00 N ATOM 0 H ASN A 56 3.115 7.108 10.091 1.00 0.00 H new ATOM 0 HA ASN A 56 3.841 7.521 12.681 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.898 5.429 11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.559 5.011 11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.389 5.065 15.123 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.695 6.213 13.974 1.00 0.00 H new ATOM 889 N ASN A 57 6.495 7.018 10.793 1.00 0.00 N ATOM 890 CA ASN A 57 7.948 7.142 10.753 1.00 0.00 C ATOM 891 C ASN A 57 8.371 8.606 10.826 1.00 0.00 C ATOM 892 O ASN A 57 7.659 9.493 10.355 1.00 0.00 O ATOM 893 CB ASN A 57 8.500 6.503 9.476 1.00 0.00 C ATOM 894 CG ASN A 57 10.004 6.319 9.526 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.505 5.371 10.131 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.733 7.228 8.888 1.00 0.00 N ATOM 0 H ASN A 57 6.066 6.792 9.896 1.00 0.00 H new ATOM 0 HA ASN A 57 8.357 6.620 11.619 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.023 5.535 9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.241 7.126 8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.750 7.156 8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.275 7.997 8.399 1.00 0.00 H new ATOM 903 N SER A 58 9.535 8.851 11.419 1.00 0.00 N ATOM 904 CA SER A 58 10.052 10.207 11.558 1.00 0.00 C ATOM 905 C SER A 58 10.390 10.801 10.194 1.00 0.00 C ATOM 906 O SER A 58 9.976 11.913 9.869 1.00 0.00 O ATOM 907 CB SER A 58 11.294 10.214 12.451 1.00 0.00 C ATOM 908 OG SER A 58 10.950 9.962 13.803 1.00 0.00 O ATOM 0 H SER A 58 10.138 8.128 11.811 1.00 0.00 H new ATOM 0 HA SER A 58 9.278 10.819 12.021 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.999 9.458 12.105 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.796 11.178 12.374 1.00 0.00 H new ATOM 0 HG SER A 58 11.761 9.970 14.354 1.00 0.00 H new ATOM 914 N ASN A 59 11.146 10.050 9.399 1.00 0.00 N ATOM 915 CA ASN A 59 11.542 10.502 8.070 1.00 0.00 C ATOM 916 C ASN A 59 10.444 11.350 7.435 1.00 0.00 C ATOM 917 O ASN A 59 10.653 12.521 7.120 1.00 0.00 O ATOM 918 CB ASN A 59 11.858 9.302 7.175 1.00 0.00 C ATOM 919 CG ASN A 59 12.622 9.699 5.926 1.00 0.00 C ATOM 920 OD1 ASN A 59 12.035 9.898 4.862 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.939 9.815 6.050 1.00 0.00 N ATOM 0 H ASN A 59 11.496 9.126 9.652 1.00 0.00 H new ATOM 0 HA ASN A 59 12.437 11.116 8.173 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.442 8.575 7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.928 8.811 6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.506 10.079 5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.384 9.641 6.951 1.00 0.00 H new ATOM 928 N PHE A 60 9.273 10.749 7.249 1.00 0.00 N ATOM 929 CA PHE A 60 8.141 11.448 6.651 1.00 0.00 C ATOM 930 C PHE A 60 7.453 12.345 7.676 1.00 0.00 C ATOM 931 O PHE A 60 7.193 13.519 7.414 1.00 0.00 O ATOM 932 CB PHE A 60 7.138 10.444 6.080 1.00 0.00 C ATOM 933 CG PHE A 60 7.776 9.360 5.260 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.363 8.264 5.872 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.789 9.436 3.876 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.951 7.265 5.119 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.376 8.441 3.118 1.00 0.00 C ATOM 938 CZ PHE A 60 8.957 7.353 3.741 1.00 0.00 C ATOM 0 H PHE A 60 9.083 9.780 7.504 1.00 0.00 H new ATOM 0 HA PHE A 60 8.518 12.073 5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.584 9.989 6.901 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.414 10.977 5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.361 8.190 6.949 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.335 10.283 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.405 6.416 5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.381 8.514 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.415 6.573 3.151 1.00 0.00 H new ATOM 948 N GLY A 61 7.160 11.783 8.845 1.00 0.00 N ATOM 949 CA GLY A 61 6.504 12.544 9.891 1.00 0.00 C ATOM 950 C GLY A 61 5.036 12.786 9.599 1.00 0.00 C ATOM 951 O GLY A 61 4.524 12.424 8.540 1.00 0.00 O ATOM 0 H GLY A 61 7.366 10.813 9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.600 12.012 10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.010 13.502 10.011 1.00 0.00 H new ATOM 955 N PRO A 62 4.334 13.410 10.556 1.00 0.00 N ATOM 956 CA PRO A 62 2.906 13.712 10.420 1.00 0.00 C ATOM 957 C PRO A 62 2.639 14.795 9.381 1.00 0.00 C ATOM 958 O PRO A 62 1.508 14.966 8.926 1.00 0.00 O ATOM 959 CB PRO A 62 2.512 14.202 11.816 1.00 0.00 C ATOM 960 CG PRO A 62 3.777 14.725 12.404 1.00 0.00 C ATOM 961 CD PRO A 62 4.879 13.870 11.844 1.00 0.00 C ATOM 0 HA PRO A 62 2.337 12.846 10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.749 14.979 11.762 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.100 13.392 12.418 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.925 15.773 12.142 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.754 14.668 13.492 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.800 14.438 11.711 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.113 13.034 12.503 1.00 0.00 H new ATOM 969 N GLU A 63 3.687 15.523 9.009 1.00 0.00 N ATOM 970 CA GLU A 63 3.563 16.590 8.022 1.00 0.00 C ATOM 971 C GLU A 63 2.961 16.063 6.723 1.00 0.00 C ATOM 972 O GLU A 63 2.156 16.737 6.081 1.00 0.00 O ATOM 973 CB GLU A 63 4.930 17.219 7.745 1.00 0.00 C ATOM 974 CG GLU A 63 5.984 16.217 7.305 1.00 0.00 C ATOM 975 CD GLU A 63 7.397 16.728 7.506 1.00 0.00 C ATOM 976 OE1 GLU A 63 7.791 17.679 6.799 1.00 0.00 O ATOM 977 OE2 GLU A 63 8.108 16.178 8.372 1.00 0.00 O ATOM 0 H GLU A 63 4.630 15.394 9.375 1.00 0.00 H new ATOM 0 HA GLU A 63 2.896 17.350 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.820 17.981 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.276 17.726 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.854 15.290 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.835 15.978 6.252 1.00 0.00 H new ATOM 984 N VAL A 64 3.357 14.853 6.342 1.00 0.00 N ATOM 985 CA VAL A 64 2.857 14.234 5.120 1.00 0.00 C ATOM 986 C VAL A 64 1.335 14.142 5.134 1.00 0.00 C ATOM 987 O VAL A 64 0.736 13.714 6.121 1.00 0.00 O ATOM 988 CB VAL A 64 3.444 12.823 4.925 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.923 11.876 5.995 1.00 0.00 C ATOM 990 CG2 VAL A 64 3.119 12.300 3.534 1.00 0.00 C ATOM 0 H VAL A 64 4.023 14.282 6.862 1.00 0.00 H new ATOM 0 HA VAL A 64 3.172 14.868 4.292 1.00 0.00 H new ATOM 0 HB VAL A 64 4.528 12.882 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.348 10.884 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.211 12.246 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.836 11.819 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.541 11.302 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.038 12.255 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.545 12.968 2.785 1.00 0.00 H new ATOM 1000 N THR A 65 0.714 14.548 4.031 1.00 0.00 N ATOM 1001 CA THR A 65 -0.739 14.512 3.915 1.00 0.00 C ATOM 1002 C THR A 65 -1.186 13.432 2.938 1.00 0.00 C ATOM 1003 O THR A 65 -0.395 12.947 2.129 1.00 0.00 O ATOM 1004 CB THR A 65 -1.299 15.871 3.453 1.00 0.00 C ATOM 1005 OG1 THR A 65 -2.726 15.876 3.564 1.00 0.00 O ATOM 1006 CG2 THR A 65 -0.896 16.161 2.015 1.00 0.00 C ATOM 0 H THR A 65 1.194 14.906 3.205 1.00 0.00 H new ATOM 0 HA THR A 65 -1.130 14.284 4.907 1.00 0.00 H new ATOM 0 HB THR A 65 -0.883 16.648 4.094 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.074 16.744 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.303 17.125 1.711 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.191 16.185 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.287 15.380 1.363 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.460 13.059 3.018 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.012 12.035 2.140 1.00 0.00 C ATOM 1016 C ARG A 66 -2.499 12.207 0.713 1.00 0.00 C ATOM 1017 O ARG A 66 -1.983 11.266 0.111 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.541 12.091 2.154 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.191 11.266 1.055 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.617 11.720 0.787 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.005 11.511 -0.605 1.00 0.00 N ATOM 1022 CZ ARG A 66 -6.744 12.375 -1.579 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -6.097 13.502 -1.314 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -7.130 12.114 -2.822 1.00 0.00 N ATOM 0 H ARG A 66 -3.128 13.451 3.682 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.687 11.062 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.900 11.739 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.859 13.129 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.604 11.349 0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.190 10.214 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.300 11.175 1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.714 12.777 1.036 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.504 10.654 -0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.799 13.707 -0.360 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.898 14.164 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.628 11.249 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.929 12.779 -3.569 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.647 13.415 0.178 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.200 13.710 -1.178 1.00 0.00 C ATOM 1040 C GLN A 67 -0.860 13.041 -1.466 1.00 0.00 C ATOM 1041 O GLN A 67 -0.759 12.189 -2.348 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.083 15.222 -1.382 1.00 0.00 C ATOM 1043 CG GLN A 67 -2.042 15.637 -2.843 1.00 0.00 C ATOM 1044 CD GLN A 67 -1.356 16.973 -3.052 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -1.733 17.978 -2.448 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -0.343 16.991 -3.910 1.00 0.00 N ATOM 0 H GLN A 67 -3.073 14.205 0.663 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.941 13.313 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.927 15.712 -0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.180 15.578 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.522 14.872 -3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.060 15.691 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.065 16.134 -4.388 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.157 17.862 -4.091 1.00 0.00 H new ATOM 1055 N GLN A 68 0.166 13.434 -0.718 1.00 0.00 N ATOM 1056 CA GLN A 68 1.500 12.873 -0.895 1.00 0.00 C ATOM 1057 C GLN A 68 1.430 11.368 -1.129 1.00 0.00 C ATOM 1058 O GLN A 68 2.155 10.823 -1.963 1.00 0.00 O ATOM 1059 CB GLN A 68 2.368 13.171 0.328 1.00 0.00 C ATOM 1060 CG GLN A 68 2.653 14.651 0.526 1.00 0.00 C ATOM 1061 CD GLN A 68 3.762 15.158 -0.375 1.00 0.00 C ATOM 1062 OE1 GLN A 68 3.570 16.096 -1.149 1.00 0.00 O ATOM 1063 NE2 GLN A 68 4.933 14.538 -0.278 1.00 0.00 N ATOM 0 H GLN A 68 0.099 14.139 0.016 1.00 0.00 H new ATOM 0 HA GLN A 68 1.949 13.338 -1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.873 12.783 1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.313 12.637 0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.744 15.221 0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.926 14.829 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.048 13.765 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.717 14.835 -0.859 1.00 0.00 H new ATOM 1072 N THR A 69 0.553 10.698 -0.388 1.00 0.00 N ATOM 1073 CA THR A 69 0.389 9.255 -0.513 1.00 0.00 C ATOM 1074 C THR A 69 0.080 8.860 -1.953 1.00 0.00 C ATOM 1075 O THR A 69 0.872 8.178 -2.603 1.00 0.00 O ATOM 1076 CB THR A 69 -0.734 8.735 0.403 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.550 9.232 1.734 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.757 7.214 0.422 1.00 0.00 C ATOM 0 H THR A 69 -0.055 11.132 0.306 1.00 0.00 H new ATOM 0 HA THR A 69 1.333 8.802 -0.209 1.00 0.00 H new ATOM 0 HB THR A 69 -1.687 9.091 0.011 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.894 10.148 1.792 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.559 6.870 1.076 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.927 6.840 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.198 6.840 0.791 1.00 0.00 H new ATOM 1086 N ILE A 70 -1.076 9.293 -2.444 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.489 8.986 -3.808 1.00 0.00 C ATOM 1088 C ILE A 70 -0.306 9.050 -4.768 1.00 0.00 C ATOM 1089 O ILE A 70 -0.150 8.189 -5.634 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.584 9.952 -4.296 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.834 9.824 -3.423 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.921 9.678 -5.755 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -3.836 10.754 -2.230 1.00 0.00 C ATOM 0 H ILE A 70 -1.743 9.857 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.890 7.972 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.209 10.972 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.715 10.026 -4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.918 8.796 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.697 10.369 -6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.029 9.815 -6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.279 8.654 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.752 10.609 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.974 10.538 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.783 11.787 -2.574 1.00 0.00 H new ATOM 1105 N GLN A 71 0.526 10.074 -4.606 1.00 0.00 N ATOM 1106 CA GLN A 71 1.696 10.249 -5.458 1.00 0.00 C ATOM 1107 C GLN A 71 2.712 9.135 -5.224 1.00 0.00 C ATOM 1108 O GLN A 71 3.246 8.559 -6.172 1.00 0.00 O ATOM 1109 CB GLN A 71 2.344 11.609 -5.197 1.00 0.00 C ATOM 1110 CG GLN A 71 1.809 12.719 -6.087 1.00 0.00 C ATOM 1111 CD GLN A 71 2.824 13.820 -6.322 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.760 13.659 -7.106 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.644 14.947 -5.644 1.00 0.00 N ATOM 0 H GLN A 71 0.411 10.794 -3.893 1.00 0.00 H new ATOM 0 HA GLN A 71 1.368 10.204 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.186 11.883 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.421 11.523 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.508 12.297 -7.046 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.915 13.145 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.854 15.037 -5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.295 15.723 -5.762 1.00 0.00 H new ATOM 1122 N LEU A 72 2.974 8.837 -3.956 1.00 0.00 N ATOM 1123 CA LEU A 72 3.926 7.792 -3.597 1.00 0.00 C ATOM 1124 C LEU A 72 3.444 6.427 -4.079 1.00 0.00 C ATOM 1125 O LEU A 72 4.161 5.717 -4.785 1.00 0.00 O ATOM 1126 CB LEU A 72 4.136 7.766 -2.082 1.00 0.00 C ATOM 1127 CG LEU A 72 4.979 6.610 -1.542 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.399 6.687 -2.081 1.00 0.00 C ATOM 1129 CD2 LEU A 72 4.983 6.619 -0.020 1.00 0.00 C ATOM 0 H LEU A 72 2.541 9.304 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 72 4.875 8.015 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.607 8.703 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.159 7.733 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 72 4.535 5.673 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.984 5.856 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.379 6.631 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.854 7.629 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.588 5.790 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.402 7.560 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.962 6.514 0.347 1.00 0.00 H new ATOM 1141 N LEU A 73 2.225 6.067 -3.694 1.00 0.00 N ATOM 1142 CA LEU A 73 1.645 4.787 -4.089 1.00 0.00 C ATOM 1143 C LEU A 73 1.993 4.456 -5.537 1.00 0.00 C ATOM 1144 O LEU A 73 2.376 3.328 -5.850 1.00 0.00 O ATOM 1145 CB LEU A 73 0.126 4.817 -3.911 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.569 3.456 -3.845 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.454 2.866 -2.448 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.029 3.583 -4.254 1.00 0.00 C ATOM 0 H LEU A 73 1.619 6.642 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 73 2.064 4.012 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.102 5.364 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.305 5.383 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.074 2.782 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.954 1.898 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.598 2.739 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.923 3.538 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.508 2.605 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.537 4.273 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.089 3.962 -5.274 1.00 0.00 H new ATOM 1160 N ARG A 74 1.858 5.445 -6.414 1.00 0.00 N ATOM 1161 CA ARG A 74 2.159 5.258 -7.828 1.00 0.00 C ATOM 1162 C ARG A 74 3.449 4.463 -8.009 1.00 0.00 C ATOM 1163 O ARG A 74 3.482 3.467 -8.732 1.00 0.00 O ATOM 1164 CB ARG A 74 2.279 6.612 -8.529 1.00 0.00 C ATOM 1165 CG ARG A 74 0.941 7.284 -8.789 1.00 0.00 C ATOM 1166 CD ARG A 74 1.118 8.636 -9.463 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.067 9.029 -10.221 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.156 10.160 -10.912 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.865 11.005 -10.940 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.267 10.447 -11.577 1.00 0.00 N ATOM 0 H ARG A 74 1.542 6.384 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 74 1.340 4.696 -8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.896 7.273 -7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.798 6.476 -9.478 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.326 6.641 -9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.408 7.413 -7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.333 9.392 -8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.979 8.598 -10.130 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.870 8.400 -10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.721 10.787 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.794 11.873 -11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.054 9.799 -11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.334 11.316 -12.107 1.00 0.00 H new ATOM 1184 N LYS A 75 4.511 4.911 -7.348 1.00 0.00 N ATOM 1185 CA LYS A 75 5.804 4.243 -7.434 1.00 0.00 C ATOM 1186 C LYS A 75 5.649 2.734 -7.269 1.00 0.00 C ATOM 1187 O LYS A 75 6.062 1.960 -8.133 1.00 0.00 O ATOM 1188 CB LYS A 75 6.755 4.788 -6.366 1.00 0.00 C ATOM 1189 CG LYS A 75 7.585 5.969 -6.836 1.00 0.00 C ATOM 1190 CD LYS A 75 8.041 6.831 -5.670 1.00 0.00 C ATOM 1191 CE LYS A 75 9.354 6.331 -5.088 1.00 0.00 C ATOM 1192 NZ LYS A 75 10.489 6.523 -6.033 1.00 0.00 N ATOM 0 H LYS A 75 4.501 5.735 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 75 6.223 4.442 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.175 5.087 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.424 3.989 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.455 5.608 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.000 6.573 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.158 7.862 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.275 6.831 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.563 6.859 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.262 5.273 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.384 6.531 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.502 5.745 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.375 7.428 -6.533 1.00 0.00 H new ATOM 1206 N PHE A 76 5.050 2.323 -6.156 1.00 0.00 N ATOM 1207 CA PHE A 76 4.840 0.907 -5.879 1.00 0.00 C ATOM 1208 C PHE A 76 4.424 0.161 -7.144 1.00 0.00 C ATOM 1209 O PHE A 76 5.112 -0.757 -7.592 1.00 0.00 O ATOM 1210 CB PHE A 76 3.775 0.730 -4.796 1.00 0.00 C ATOM 1211 CG PHE A 76 4.259 1.077 -3.417 1.00 0.00 C ATOM 1212 CD1 PHE A 76 4.287 2.394 -2.988 1.00 0.00 C ATOM 1213 CD2 PHE A 76 4.687 0.085 -2.549 1.00 0.00 C ATOM 1214 CE1 PHE A 76 4.732 2.716 -1.720 1.00 0.00 C ATOM 1215 CE2 PHE A 76 5.133 0.401 -1.279 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.156 1.718 -0.865 1.00 0.00 C ATOM 0 H PHE A 76 4.702 2.951 -5.431 1.00 0.00 H new ATOM 0 HA PHE A 76 5.782 0.488 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.915 1.354 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.430 -0.304 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.957 3.179 -3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.672 -0.947 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.748 3.747 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.463 -0.381 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.505 1.967 0.126 1.00 0.00 H new ATOM 1226 N LEU A 77 3.294 0.563 -7.715 1.00 0.00 N ATOM 1227 CA LEU A 77 2.784 -0.067 -8.928 1.00 0.00 C ATOM 1228 C LEU A 77 3.826 -0.029 -10.041 1.00 0.00 C ATOM 1229 O LEU A 77 3.941 -0.966 -10.831 1.00 0.00 O ATOM 1230 CB LEU A 77 1.503 0.632 -9.389 1.00 0.00 C ATOM 1231 CG LEU A 77 1.091 0.387 -10.841 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.519 -1.013 -11.005 1.00 0.00 C ATOM 1233 CD2 LEU A 77 0.083 1.433 -11.293 1.00 0.00 C ATOM 0 H LEU A 77 2.714 1.322 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 77 2.561 -1.109 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.686 0.314 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.626 1.705 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 77 1.978 0.471 -11.469 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.231 -1.169 -12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.272 -1.749 -10.722 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.357 -1.126 -10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.199 1.243 -12.329 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.803 1.382 -10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.528 2.425 -11.214 1.00 0.00 H new ATOM 1245 N LYS A 78 4.587 1.059 -10.095 1.00 0.00 N ATOM 1246 CA LYS A 78 5.623 1.219 -11.108 1.00 0.00 C ATOM 1247 C LYS A 78 6.705 0.154 -10.952 1.00 0.00 C ATOM 1248 O LYS A 78 7.109 -0.479 -11.926 1.00 0.00 O ATOM 1249 CB LYS A 78 6.248 2.613 -11.013 1.00 0.00 C ATOM 1250 CG LYS A 78 6.806 3.120 -12.331 1.00 0.00 C ATOM 1251 CD LYS A 78 7.999 4.036 -12.115 1.00 0.00 C ATOM 1252 CE LYS A 78 7.613 5.278 -11.326 1.00 0.00 C ATOM 1253 NZ LYS A 78 8.448 6.453 -11.697 1.00 0.00 N ATOM 0 H LYS A 78 4.505 1.844 -9.448 1.00 0.00 H new ATOM 0 HA LYS A 78 5.159 1.101 -12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.496 3.315 -10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.048 2.594 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.103 2.274 -12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.028 3.656 -12.875 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.783 3.495 -11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.412 4.330 -13.080 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.563 5.509 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.720 5.079 -10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.154 7.279 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.448 6.243 -11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.326 6.660 -12.709 1.00 0.00 H new ATOM 1267 N ASN A 79 7.168 -0.037 -9.721 1.00 0.00 N ATOM 1268 CA ASN A 79 8.202 -1.026 -9.439 1.00 0.00 C ATOM 1269 C ASN A 79 7.621 -2.437 -9.445 1.00 0.00 C ATOM 1270 O ASN A 79 8.301 -3.401 -9.091 1.00 0.00 O ATOM 1271 CB ASN A 79 8.856 -0.738 -8.086 1.00 0.00 C ATOM 1272 CG ASN A 79 9.930 0.329 -8.179 1.00 0.00 C ATOM 1273 OD1 ASN A 79 11.108 0.061 -7.943 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.526 1.546 -8.523 1.00 0.00 N ATOM 0 H ASN A 79 6.844 0.480 -8.903 1.00 0.00 H new ATOM 0 HA ASN A 79 8.957 -0.960 -10.222 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.092 -0.420 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.293 -1.656 -7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.203 2.305 -8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.539 1.722 -8.709 1.00 0.00 H new ATOM 1281 N HIS A 80 6.361 -2.551 -9.851 1.00 0.00 N ATOM 1282 CA HIS A 80 5.689 -3.844 -9.905 1.00 0.00 C ATOM 1283 C HIS A 80 5.469 -4.401 -8.502 1.00 0.00 C ATOM 1284 O HIS A 80 5.485 -5.615 -8.296 1.00 0.00 O ATOM 1285 CB HIS A 80 6.506 -4.833 -10.737 1.00 0.00 C ATOM 1286 CG HIS A 80 5.675 -5.888 -11.400 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.096 -6.590 -12.510 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.442 -6.361 -11.103 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.156 -7.448 -12.867 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.142 -7.329 -12.029 1.00 0.00 N ATOM 0 H HIS A 80 5.785 -1.764 -10.148 1.00 0.00 H new ATOM 0 HA HIS A 80 4.717 -3.701 -10.376 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.058 -4.284 -11.500 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.243 -5.314 -10.094 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.811 -6.037 -10.288 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.208 -8.131 -13.702 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.277 -7.868 -12.064 1.00 0.00 H new ATOM 1298 N VAL A 81 5.266 -3.507 -7.540 1.00 0.00 N ATOM 1299 CA VAL A 81 5.043 -3.909 -6.157 1.00 0.00 C ATOM 1300 C VAL A 81 3.617 -4.410 -5.953 1.00 0.00 C ATOM 1301 O VAL A 81 3.362 -5.253 -5.093 1.00 0.00 O ATOM 1302 CB VAL A 81 5.311 -2.745 -5.184 1.00 0.00 C ATOM 1303 CG1 VAL A 81 4.972 -3.153 -3.758 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.758 -2.288 -5.287 1.00 0.00 C ATOM 0 H VAL A 81 5.251 -2.499 -7.693 1.00 0.00 H new ATOM 0 HA VAL A 81 5.743 -4.718 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 81 4.669 -1.908 -5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.168 -2.319 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.919 -3.428 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.586 -4.005 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.930 -1.465 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.420 -3.117 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.962 -1.953 -6.304 1.00 0.00 H new ATOM 1314 N ILE A 82 2.692 -3.884 -6.749 1.00 0.00 N ATOM 1315 CA ILE A 82 1.292 -4.279 -6.657 1.00 0.00 C ATOM 1316 C ILE A 82 0.609 -4.204 -8.018 1.00 0.00 C ATOM 1317 O ILE A 82 0.680 -3.185 -8.703 1.00 0.00 O ATOM 1318 CB ILE A 82 0.522 -3.394 -5.659 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.751 -1.914 -5.974 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.947 -3.709 -4.233 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.137 -0.982 -5.180 1.00 0.00 C ATOM 0 H ILE A 82 2.887 -3.184 -7.464 1.00 0.00 H new ATOM 0 HA ILE A 82 1.278 -5.310 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.543 -3.606 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.794 -1.666 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.580 -1.747 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.394 -3.075 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.737 -4.756 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.015 -3.522 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.080 0.050 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.182 -1.203 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.050 -1.121 -4.115 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.054 -5.291 -8.402 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.751 -5.347 -9.681 1.00 0.00 C ATOM 1335 C GLU A 83 -2.250 -5.132 -9.494 1.00 0.00 C ATOM 1336 O GLU A 83 -2.749 -5.111 -8.369 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.500 -6.693 -10.365 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.357 -7.823 -9.820 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.903 -9.186 -10.305 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.320 -9.437 -10.308 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.770 -10.001 -10.682 1.00 0.00 O ATOM 0 H GLU A 83 -0.123 -6.143 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.363 -4.548 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.688 -6.589 -11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.551 -6.958 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.330 -7.802 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.394 -7.663 -10.116 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.962 -4.971 -10.604 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.404 -4.758 -10.564 1.00 0.00 C ATOM 1350 C ASP A 84 -5.141 -6.072 -10.329 1.00 0.00 C ATOM 1351 O ASP A 84 -4.635 -7.146 -10.656 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.882 -4.116 -11.868 1.00 0.00 C ATOM 1353 CG ASP A 84 -6.329 -3.668 -11.795 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -6.631 -2.766 -10.986 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -7.158 -4.219 -12.549 1.00 0.00 O ATOM 0 H ASP A 84 -2.564 -4.984 -11.543 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.625 -4.086 -9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.250 -3.259 -12.101 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.766 -4.829 -12.685 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.338 -5.979 -9.759 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.145 -7.160 -9.480 1.00 0.00 C ATOM 1362 C ILE A 85 -7.031 -8.182 -10.606 1.00 0.00 C ATOM 1363 O ILE A 85 -7.055 -9.390 -10.369 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.627 -6.795 -9.280 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.423 -8.026 -8.840 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.207 -6.213 -10.561 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.702 -7.688 -8.105 1.00 0.00 C ATOM 0 H ILE A 85 -6.770 -5.098 -9.481 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.760 -7.595 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.697 -6.040 -8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.665 -8.625 -9.718 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.796 -8.643 -8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.255 -5.960 -10.404 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.654 -5.315 -10.835 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.127 -6.947 -11.363 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.214 -8.608 -7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.466 -7.115 -7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.349 -7.097 -8.753 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.907 -7.689 -11.834 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.787 -8.557 -12.999 1.00 0.00 C ATOM 1381 C LYS A 86 -5.329 -8.925 -13.256 1.00 0.00 C ATOM 1382 O LYS A 86 -5.012 -10.075 -13.555 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.376 -7.873 -14.234 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.882 -8.027 -14.355 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.260 -9.387 -14.917 1.00 0.00 C ATOM 1386 CE LYS A 86 -10.768 -9.581 -14.942 1.00 0.00 C ATOM 1387 NZ LYS A 86 -11.422 -8.714 -15.961 1.00 0.00 N ATOM 0 H LYS A 86 -6.887 -6.692 -12.048 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.344 -9.472 -12.797 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.129 -6.812 -14.204 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.904 -8.284 -15.126 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.342 -7.897 -13.375 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.278 -7.243 -15.000 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.863 -9.488 -15.927 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.801 -10.171 -14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.996 -10.626 -15.154 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.179 -9.358 -13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.443 -8.912 -15.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.268 -7.715 -15.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.012 -8.909 -16.897 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.444 -7.939 -13.134 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.030 -8.180 -13.355 1.00 0.00 C ATOM 1403 C GLY A 87 -2.411 -7.169 -14.300 1.00 0.00 C ATOM 1404 O GLY A 87 -1.744 -7.540 -15.266 1.00 0.00 O ATOM 0 H GLY A 87 -4.681 -6.978 -12.886 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.506 -8.149 -12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.894 -9.183 -13.761 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.632 -5.889 -14.022 1.00 0.00 N ATOM 1409 CA ARG A 88 -2.093 -4.821 -14.856 1.00 0.00 C ATOM 1410 C ARG A 88 -1.006 -4.048 -14.115 1.00 0.00 C ATOM 1411 O ARG A 88 -1.142 -3.752 -12.928 1.00 0.00 O ATOM 1412 CB ARG A 88 -3.210 -3.868 -15.286 1.00 0.00 C ATOM 1413 CG ARG A 88 -4.197 -4.486 -16.262 1.00 0.00 C ATOM 1414 CD ARG A 88 -5.125 -3.437 -16.856 1.00 0.00 C ATOM 1415 NE ARG A 88 -4.411 -2.500 -17.718 1.00 0.00 N ATOM 1416 CZ ARG A 88 -3.854 -1.376 -17.280 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -3.928 -1.052 -15.997 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -3.221 -0.574 -18.127 1.00 0.00 N ATOM 0 H ARG A 88 -3.181 -5.566 -13.225 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.651 -5.275 -15.743 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.750 -3.532 -14.401 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.766 -2.984 -15.743 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.653 -4.987 -17.063 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.786 -5.248 -15.752 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.910 -3.930 -17.429 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.614 -2.888 -16.051 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.336 -2.720 -18.711 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.413 -1.666 -15.343 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.499 -0.189 -15.664 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.162 -0.820 -19.115 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.794 0.289 -17.790 1.00 0.00 H new ATOM 1432 N TRP A 89 0.070 -3.726 -14.823 1.00 0.00 N ATOM 1433 CA TRP A 89 1.181 -2.988 -14.232 1.00 0.00 C ATOM 1434 C TRP A 89 1.791 -2.022 -15.241 1.00 0.00 C ATOM 1435 O TRP A 89 1.463 -2.059 -16.426 1.00 0.00 O ATOM 1436 CB TRP A 89 2.250 -3.956 -13.723 1.00 0.00 C ATOM 1437 CG TRP A 89 3.025 -4.616 -14.823 1.00 0.00 C ATOM 1438 CD1 TRP A 89 2.563 -5.549 -15.706 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.400 -4.394 -15.155 1.00 0.00 C ATOM 1440 NE1 TRP A 89 3.567 -5.921 -16.567 1.00 0.00 N ATOM 1441 CE2 TRP A 89 4.704 -5.226 -16.251 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.403 -3.572 -14.635 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 5.969 -5.258 -16.832 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.658 -3.605 -15.213 1.00 0.00 C ATOM 1445 CH2 TRP A 89 6.932 -4.443 -16.303 1.00 0.00 C ATOM 0 H TRP A 89 0.197 -3.964 -15.807 1.00 0.00 H new ATOM 0 HA TRP A 89 0.795 -2.410 -13.392 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.940 -3.416 -13.075 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.774 -4.723 -13.112 1.00 0.00 H new ATOM 0 HD1 TRP A 89 1.556 -5.938 -15.725 1.00 0.00 H new ATOM 0 HE1 TRP A 89 3.480 -6.604 -17.320 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.201 -2.922 -13.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.182 -5.904 -17.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.441 -2.974 -14.818 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.923 -4.445 -16.733 1.00 0.00 H new ATOM 1456 N GLY A 90 2.680 -1.157 -14.763 1.00 0.00 N ATOM 1457 CA GLY A 90 3.322 -0.193 -15.638 1.00 0.00 C ATOM 1458 C GLY A 90 2.384 0.920 -16.061 1.00 0.00 C ATOM 1459 O GLY A 90 2.382 1.332 -17.221 1.00 0.00 O ATOM 0 H GLY A 90 2.967 -1.106 -13.786 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.185 0.237 -15.129 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.697 -0.705 -16.524 1.00 0.00 H new ATOM 1463 N SER A 91 1.583 1.407 -15.119 1.00 0.00 N ATOM 1464 CA SER A 91 0.631 2.475 -15.402 1.00 0.00 C ATOM 1465 C SER A 91 0.945 3.716 -14.572 1.00 0.00 C ATOM 1466 O SER A 91 0.639 4.838 -14.975 1.00 0.00 O ATOM 1467 CB SER A 91 -0.796 2.005 -15.116 1.00 0.00 C ATOM 1468 OG SER A 91 -1.135 0.886 -15.918 1.00 0.00 O ATOM 0 H SER A 91 1.574 1.079 -14.153 1.00 0.00 H new ATOM 0 HA SER A 91 0.716 2.733 -16.458 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.892 1.743 -14.062 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.495 2.819 -15.307 1.00 0.00 H new ATOM 0 HG SER A 91 -1.507 0.178 -15.351 1.00 0.00 H new ATOM 1474 N GLU A 92 1.559 3.505 -13.412 1.00 0.00 N ATOM 1475 CA GLU A 92 1.914 4.607 -12.525 1.00 0.00 C ATOM 1476 C GLU A 92 0.726 5.542 -12.317 1.00 0.00 C ATOM 1477 O GLU A 92 0.896 6.747 -12.136 1.00 0.00 O ATOM 1478 CB GLU A 92 3.099 5.388 -13.095 1.00 0.00 C ATOM 1479 CG GLU A 92 2.766 6.161 -14.360 1.00 0.00 C ATOM 1480 CD GLU A 92 3.788 7.238 -14.672 1.00 0.00 C ATOM 1481 OE1 GLU A 92 3.936 8.169 -13.853 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.438 7.150 -15.735 1.00 0.00 O ATOM 0 H GLU A 92 1.821 2.582 -13.065 1.00 0.00 H new ATOM 0 HA GLU A 92 2.196 4.187 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.462 6.084 -12.339 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.913 4.694 -13.307 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.706 5.468 -15.199 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.782 6.619 -14.253 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.476 4.977 -12.343 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.693 5.760 -12.159 1.00 0.00 C ATOM 1491 C ASN A 93 -2.596 5.122 -11.108 1.00 0.00 C ATOM 1492 O ASN A 93 -3.282 4.136 -11.379 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.447 5.889 -13.484 1.00 0.00 C ATOM 1494 CG ASN A 93 -3.386 7.079 -13.500 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -3.080 8.119 -14.084 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -4.539 6.932 -12.857 1.00 0.00 N ATOM 0 H ASN A 93 -0.634 3.980 -12.490 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.407 6.753 -11.813 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.730 5.984 -14.299 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.017 4.977 -13.665 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.211 7.699 -12.834 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.752 6.053 -12.386 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.590 5.691 -9.906 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.410 5.180 -8.814 1.00 0.00 C ATOM 1505 C VAL A 94 -3.905 6.312 -7.922 1.00 0.00 C ATOM 1506 O VAL A 94 -3.113 7.098 -7.401 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.631 4.167 -7.954 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.459 2.853 -8.701 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.281 4.740 -7.549 1.00 0.00 C ATOM 0 H VAL A 94 -2.026 6.506 -9.664 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.265 4.679 -9.268 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.203 3.970 -7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.906 2.150 -8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.439 2.437 -8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.908 3.029 -9.625 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.744 4.011 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.699 4.967 -8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.431 5.653 -6.972 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.220 6.390 -7.750 1.00 0.00 N ATOM 1520 CA ASP A 95 -5.823 7.426 -6.919 1.00 0.00 C ATOM 1521 C ASP A 95 -6.485 6.818 -5.687 1.00 0.00 C ATOM 1522 O ASP A 95 -6.533 5.597 -5.535 1.00 0.00 O ATOM 1523 CB ASP A 95 -6.850 8.223 -7.725 1.00 0.00 C ATOM 1524 CG ASP A 95 -6.217 9.355 -8.510 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -5.149 9.132 -9.117 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -6.791 10.464 -8.519 1.00 0.00 O ATOM 0 H ASP A 95 -5.889 5.748 -8.175 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.031 8.098 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.368 7.553 -8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.602 8.630 -7.049 1.00 0.00 H new ATOM 1531 N ASP A 96 -6.994 7.677 -4.810 1.00 0.00 N ATOM 1532 CA ASP A 96 -7.654 7.224 -3.591 1.00 0.00 C ATOM 1533 C ASP A 96 -9.101 6.831 -3.871 1.00 0.00 C ATOM 1534 O ASP A 96 -9.892 6.642 -2.948 1.00 0.00 O ATOM 1535 CB ASP A 96 -7.607 8.318 -2.524 1.00 0.00 C ATOM 1536 CG ASP A 96 -8.732 9.322 -2.674 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -9.057 9.683 -3.825 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -9.289 9.748 -1.640 1.00 0.00 O ATOM 0 H ASP A 96 -6.962 8.690 -4.921 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.122 6.346 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.662 7.860 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.650 8.837 -2.582 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.440 6.711 -5.150 1.00 0.00 N ATOM 1544 CA ASN A 97 -10.793 6.342 -5.551 1.00 0.00 C ATOM 1545 C ASN A 97 -10.986 4.830 -5.488 1.00 0.00 C ATOM 1546 O ASN A 97 -10.058 4.089 -5.168 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.083 6.846 -6.967 1.00 0.00 C ATOM 1548 CG ASN A 97 -9.887 6.700 -7.889 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -8.992 5.892 -7.639 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -9.867 7.483 -8.960 1.00 0.00 N ATOM 0 H ASN A 97 -8.797 6.864 -5.927 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.491 6.809 -4.856 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.927 6.294 -7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.379 7.894 -6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.088 7.430 -9.616 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.631 8.138 -9.127 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.198 4.381 -5.796 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.514 2.957 -5.774 1.00 0.00 C ATOM 1559 C ASN A 98 -11.779 2.220 -6.889 1.00 0.00 C ATOM 1560 O ASN A 98 -12.175 2.283 -8.053 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.023 2.746 -5.915 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.419 1.290 -5.759 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.100 0.920 -4.802 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -13.994 0.457 -6.702 1.00 0.00 N ATOM 0 H ASN A 98 -12.977 4.982 -6.064 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.186 2.552 -4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.542 3.344 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.348 3.106 -6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.230 -0.534 -6.651 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.432 0.808 -7.477 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.709 1.522 -6.525 1.00 0.00 N ATOM 1572 CA GLN A 99 -9.919 0.773 -7.495 1.00 0.00 C ATOM 1573 C GLN A 99 -9.295 -0.462 -6.853 1.00 0.00 C ATOM 1574 O GLN A 99 -8.358 -0.356 -6.060 1.00 0.00 O ATOM 1575 CB GLN A 99 -8.825 1.661 -8.088 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.360 2.898 -8.793 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.313 3.580 -9.651 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -7.113 3.363 -9.477 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -8.762 4.411 -10.584 1.00 0.00 N ATOM 0 H GLN A 99 -10.369 1.459 -5.565 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.586 0.447 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.149 1.971 -7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.237 1.076 -8.795 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.209 2.617 -9.417 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.730 3.604 -8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.765 4.561 -10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.104 4.899 -11.191 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.821 -1.632 -7.198 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.316 -2.888 -6.655 1.00 0.00 C ATOM 1590 C LEU A 100 -7.849 -3.089 -7.021 1.00 0.00 C ATOM 1591 O LEU A 100 -7.373 -2.569 -8.031 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.148 -4.062 -7.173 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.560 -4.188 -6.601 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.363 -5.216 -7.383 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.506 -4.561 -5.126 1.00 0.00 C ATOM 0 H LEU A 100 -10.597 -1.737 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.398 -2.844 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.223 -3.978 -8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.608 -4.985 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.057 -3.222 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.365 -5.292 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.431 -4.908 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.869 -6.186 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.520 -4.646 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.991 -5.515 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.968 -3.789 -4.575 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.137 -3.848 -6.195 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.724 -4.119 -6.432 1.00 0.00 C ATOM 1609 C PHE A 101 -5.284 -5.388 -5.707 1.00 0.00 C ATOM 1610 O PHE A 101 -5.911 -5.809 -4.735 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.871 -2.935 -5.973 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.781 -1.832 -6.988 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.959 -1.957 -8.096 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.519 -0.669 -6.834 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.874 -0.943 -9.031 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.439 0.348 -7.767 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.616 0.211 -8.867 1.00 0.00 C ATOM 0 H PHE A 101 -7.515 -4.286 -5.355 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.583 -4.266 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.287 -2.534 -5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.866 -3.289 -5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.378 -2.857 -8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.164 -0.556 -5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.228 -1.052 -9.889 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.020 1.249 -7.635 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.552 1.004 -9.598 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.203 -5.993 -6.188 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.680 -7.214 -5.588 1.00 0.00 C ATOM 1629 C ARG A 102 -2.164 -7.292 -5.746 1.00 0.00 C ATOM 1630 O ARG A 102 -1.604 -6.785 -6.719 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.333 -8.441 -6.226 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.804 -8.761 -7.615 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.785 -9.615 -8.402 1.00 0.00 C ATOM 1634 NE ARG A 102 -4.105 -10.525 -9.320 1.00 0.00 N ATOM 1635 CZ ARG A 102 -4.639 -11.658 -9.761 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -5.853 -12.018 -9.371 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.957 -12.433 -10.595 1.00 0.00 N ATOM 0 H ARG A 102 -3.672 -5.657 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.917 -7.196 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.175 -9.304 -5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.409 -8.280 -6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.613 -7.834 -8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.851 -9.284 -7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.400 -10.191 -7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.458 -8.968 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.169 -10.277 -9.640 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.380 -11.424 -8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.261 -12.889 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.022 -12.158 -10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.367 -13.303 -10.934 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.506 -7.928 -4.783 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.055 -8.071 -4.814 1.00 0.00 C ATOM 1653 C PHE A 103 0.356 -9.268 -5.666 1.00 0.00 C ATOM 1654 O PHE A 103 -0.204 -10.359 -5.560 1.00 0.00 O ATOM 1655 CB PHE A 103 0.494 -8.228 -3.395 1.00 0.00 C ATOM 1656 CG PHE A 103 1.881 -7.678 -3.224 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.980 -8.369 -3.709 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.087 -6.470 -2.578 1.00 0.00 C ATOM 1659 CE1 PHE A 103 4.257 -7.865 -3.552 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.362 -5.960 -2.418 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.448 -6.659 -2.907 1.00 0.00 C ATOM 0 H PHE A 103 -1.954 -8.353 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 103 0.364 -7.169 -5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.176 -7.725 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.496 -9.285 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.837 -9.312 -4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.241 -5.920 -2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 103 5.105 -8.414 -3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.508 -5.017 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.445 -6.263 -2.785 1.00 0.00 H new ATOM 1671 N PRO A 104 1.358 -9.061 -6.533 1.00 0.00 N ATOM 1672 CA PRO A 104 1.867 -10.111 -7.421 1.00 0.00 C ATOM 1673 C PRO A 104 2.619 -11.198 -6.661 1.00 0.00 C ATOM 1674 O PRO A 104 2.764 -11.129 -5.441 1.00 0.00 O ATOM 1675 CB PRO A 104 2.817 -9.357 -8.354 1.00 0.00 C ATOM 1676 CG PRO A 104 3.247 -8.163 -7.573 1.00 0.00 C ATOM 1677 CD PRO A 104 2.072 -7.786 -6.713 1.00 0.00 C ATOM 0 HA PRO A 104 1.062 -10.631 -7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.670 -9.975 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.317 -9.067 -9.278 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.121 -8.390 -6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.525 -7.343 -8.235 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.391 -7.366 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.443 -7.038 -7.197 1.00 0.00 H new ATOM 1685 N ALA A 105 3.094 -12.202 -7.390 1.00 0.00 N ATOM 1686 CA ALA A 105 3.833 -13.303 -6.785 1.00 0.00 C ATOM 1687 C ALA A 105 5.017 -13.714 -7.654 1.00 0.00 C ATOM 1688 O ALA A 105 4.857 -14.005 -8.840 1.00 0.00 O ATOM 1689 CB ALA A 105 2.912 -14.491 -6.549 1.00 0.00 C ATOM 0 H ALA A 105 2.980 -12.276 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 105 4.222 -12.962 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.478 -15.306 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.102 -14.197 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.495 -14.823 -7.500 1.00 0.00 H new TER 1695 ALA A 105