USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.0715 K(o=0.071,f=-2.9!) USER MOD Set 2.1: A 59 ASN : amide:sc= 0.472 X(o=0.98,f=1.2) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.512 USER MOD Set 3.1: A 5 GLN : amide:sc= -1 K(o=-1.7,f=1.1) USER MOD Set 3.2: A 37 ASN : amide:sc= -0.803 K(o=-1.7,f=0.74) USER MOD Set 3.3: A 39 SER OG : rot -70:sc= 0.0768 USER MOD Single : A 1 GLY N :NH3+ 180:sc=-0.00318 (180deg=-0.00318) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 3 MET CE :methyl 173:sc= 0 (180deg=-0.0417) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= -0.866 (180deg=-1.76!) USER MOD Single : A 17 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 18 SER OG : rot 61:sc= -0.481 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0445) USER MOD Single : A 22 TYR OH : rot 174:sc= 0.66 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0328 USER MOD Single : A 25 ASN : amide:sc= -1.5 K(o=-1.5,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -11:sc= 0.203 USER MOD Single : A 47 THR OG1 : rot -10:sc= 1.21 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -13:sc= 1.16 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 62 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=-0.26) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.5! C(o=-2.5!,f=-3.2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= -0.48 (180deg=-3.86!) USER MOD Single : A 71 ASN : amide:sc= 0.121 K(o=0.12,f=-3.3!) USER MOD Single : A 72 ASN : amide:sc=-0.00509 X(o=-0.0051,f=0) USER MOD Single : A 73 SER OG : rot 51:sc= 0.0122 USER MOD Single : A 74 SER OG : rot 1:sc= 1.36 USER MOD Single : A 83 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.6!) USER MOD Single : A 85 ASN : amide:sc= -0.0429 X(o=-0.043,f=0.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 134:sc= -0.517 (180deg=-2.15!) USER MOD Single : A 93 ASN : amide:sc= -2.43! C(o=-2.4!,f=-5.2!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 169:sc= 0 (180deg=-0.116) USER MOD Single : A 104 THR OG1 : rot 51:sc= 0.00573 USER MOD Single : A 107 LYS NZ :NH3+ 131:sc= -2.67! (180deg=-3.48!) USER MOD Single : A 108 HIS : no HD1:sc= -0.315 K(o=-0.31,f=-1.3) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.333 -18.800 -3.875 1.00 0.00 N ATOM 2 CA GLY A 1 -4.337 -18.348 -5.290 1.00 0.00 C ATOM 3 C GLY A 1 -4.290 -16.827 -5.566 1.00 0.00 C ATOM 4 O GLY A 1 -3.799 -16.388 -6.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.367 -19.839 -3.842 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.466 -18.467 -3.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.163 -18.411 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.482 -18.805 -5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.233 -18.746 -5.765 1.00 0.00 H new ATOM 8 N SER A 2 -4.829 -16.052 -4.626 1.00 0.00 N ATOM 9 CA SER A 2 -4.997 -14.588 -4.756 1.00 0.00 C ATOM 10 C SER A 2 -3.672 -13.828 -4.563 1.00 0.00 C ATOM 11 O SER A 2 -2.741 -14.342 -3.944 1.00 0.00 O ATOM 12 CB SER A 2 -6.054 -14.100 -3.758 1.00 0.00 C ATOM 13 OG SER A 2 -6.423 -12.747 -4.049 1.00 0.00 O ATOM 0 H SER A 2 -5.169 -16.419 -3.737 1.00 0.00 H new ATOM 0 HA SER A 2 -5.332 -14.379 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.933 -14.742 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.664 -14.168 -2.742 1.00 0.00 H new ATOM 0 HG SER A 2 -7.099 -12.447 -3.407 1.00 0.00 H new ATOM 16 N MET A 3 -3.695 -12.566 -4.992 1.00 0.00 N ATOM 17 CA MET A 3 -2.553 -11.624 -5.040 1.00 0.00 C ATOM 18 C MET A 3 -1.412 -12.168 -5.927 1.00 0.00 C ATOM 19 O MET A 3 -0.313 -12.503 -5.493 1.00 0.00 O ATOM 20 CB MET A 3 -2.085 -11.273 -3.616 1.00 0.00 C ATOM 21 CG MET A 3 -1.373 -9.919 -3.543 1.00 0.00 C ATOM 22 SD MET A 3 -2.500 -8.485 -3.718 1.00 0.00 S ATOM 23 CE MET A 3 -3.278 -8.466 -2.117 1.00 0.00 C ATOM 0 H MET A 3 -4.555 -12.140 -5.337 1.00 0.00 H new ATOM 0 HA MET A 3 -2.885 -10.697 -5.507 1.00 0.00 H new ATOM 0 HB2 MET A 3 -2.946 -11.262 -2.948 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.412 -12.052 -3.257 1.00 0.00 H new ATOM 0 HG2 MET A 3 -0.850 -9.844 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.617 -9.873 -4.326 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.899 -7.575 -2.025 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.899 -9.355 -2.004 1.00 0.00 H new ATOM 0 HE3 MET A 3 -2.513 -8.456 -1.341 1.00 0.00 H new ATOM 25 N GLU A 4 -1.728 -12.189 -7.218 1.00 0.00 N ATOM 26 CA GLU A 4 -0.862 -12.691 -8.301 1.00 0.00 C ATOM 27 C GLU A 4 -1.148 -11.940 -9.604 1.00 0.00 C ATOM 28 O GLU A 4 -2.228 -12.066 -10.175 1.00 0.00 O ATOM 29 CB GLU A 4 -1.058 -14.200 -8.509 1.00 0.00 C ATOM 30 CG GLU A 4 -0.044 -15.039 -7.726 1.00 0.00 C ATOM 31 CD GLU A 4 1.366 -14.899 -8.309 1.00 0.00 C ATOM 32 OE1 GLU A 4 2.069 -13.951 -7.897 1.00 0.00 O ATOM 33 OE2 GLU A 4 1.691 -15.708 -9.206 1.00 0.00 O ATOM 0 H GLU A 4 -2.626 -11.846 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 4 0.174 -12.517 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.067 -14.477 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.972 -14.431 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.040 -14.727 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.345 -16.087 -7.744 1.00 0.00 H new ATOM 35 N GLN A 5 -0.260 -10.989 -9.888 1.00 0.00 N ATOM 36 CA GLN A 5 -0.294 -10.135 -11.098 1.00 0.00 C ATOM 37 C GLN A 5 -1.466 -9.131 -11.216 1.00 0.00 C ATOM 38 O GLN A 5 -1.952 -8.843 -12.311 1.00 0.00 O ATOM 39 CB GLN A 5 -0.118 -10.995 -12.363 1.00 0.00 C ATOM 40 CG GLN A 5 1.348 -11.405 -12.523 1.00 0.00 C ATOM 41 CD GLN A 5 1.704 -11.855 -13.942 1.00 0.00 C ATOM 42 OE1 GLN A 5 1.721 -13.029 -14.281 1.00 0.00 O ATOM 43 NE2 GLN A 5 1.905 -10.909 -14.835 1.00 0.00 N ATOM 0 H GLN A 5 0.527 -10.777 -9.275 1.00 0.00 H new ATOM 0 HA GLN A 5 0.559 -9.466 -10.987 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.747 -11.883 -12.298 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.445 -10.436 -13.240 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.984 -10.565 -12.246 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.569 -12.215 -11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.891 -9.929 -14.552 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.075 -11.156 -15.810 1.00 0.00 H new ATOM 47 N PHE A 6 -1.666 -8.398 -10.116 1.00 0.00 N ATOM 48 CA PHE A 6 -2.748 -7.403 -9.906 1.00 0.00 C ATOM 49 C PHE A 6 -2.806 -6.898 -8.452 1.00 0.00 C ATOM 50 O PHE A 6 -3.036 -7.677 -7.528 1.00 0.00 O ATOM 51 CB PHE A 6 -4.147 -7.899 -10.334 1.00 0.00 C ATOM 52 CG PHE A 6 -4.815 -9.027 -9.526 1.00 0.00 C ATOM 53 CD1 PHE A 6 -4.100 -10.080 -8.959 1.00 0.00 C ATOM 54 CD2 PHE A 6 -6.198 -9.008 -9.393 1.00 0.00 C ATOM 55 CE1 PHE A 6 -4.753 -11.101 -8.281 1.00 0.00 C ATOM 56 CE2 PHE A 6 -6.853 -10.012 -8.689 1.00 0.00 C ATOM 57 CZ PHE A 6 -6.132 -11.058 -8.128 1.00 0.00 C ATOM 0 H PHE A 6 -1.055 -8.478 -9.304 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.480 -6.575 -10.562 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.819 -7.041 -10.321 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.076 -8.232 -11.369 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.024 -10.102 -9.048 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.768 -8.207 -9.840 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.189 -11.927 -7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.927 -9.978 -8.578 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.641 -11.834 -7.576 1.00 0.00 H new ATOM 64 N GLU A 7 -2.319 -5.678 -8.234 1.00 0.00 N ATOM 65 CA GLU A 7 -2.512 -4.992 -6.937 1.00 0.00 C ATOM 66 C GLU A 7 -3.192 -3.625 -7.103 1.00 0.00 C ATOM 67 O GLU A 7 -2.583 -2.671 -7.582 1.00 0.00 O ATOM 68 CB GLU A 7 -1.212 -4.843 -6.133 1.00 0.00 C ATOM 69 CG GLU A 7 -0.577 -6.177 -5.729 1.00 0.00 C ATOM 70 CD GLU A 7 0.418 -6.001 -4.581 1.00 0.00 C ATOM 71 OE1 GLU A 7 1.561 -5.576 -4.864 1.00 0.00 O ATOM 72 OE2 GLU A 7 0.020 -6.307 -3.436 1.00 0.00 O ATOM 0 H GLU A 7 -1.793 -5.141 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.175 -5.642 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.494 -4.274 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.417 -4.262 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.358 -6.877 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.069 -6.614 -6.588 1.00 0.00 H new ATOM 74 N LEU A 8 -4.489 -3.616 -6.810 1.00 0.00 N ATOM 75 CA LEU A 8 -5.339 -2.406 -6.839 1.00 0.00 C ATOM 76 C LEU A 8 -5.691 -1.919 -5.428 1.00 0.00 C ATOM 77 O LEU A 8 -6.290 -2.646 -4.633 1.00 0.00 O ATOM 78 CB LEU A 8 -6.627 -2.682 -7.624 1.00 0.00 C ATOM 79 CG LEU A 8 -6.497 -2.364 -9.116 1.00 0.00 C ATOM 80 CD1 LEU A 8 -7.629 -3.045 -9.886 1.00 0.00 C ATOM 81 CD2 LEU A 8 -6.584 -0.851 -9.343 1.00 0.00 C ATOM 0 H LEU A 8 -4.998 -4.458 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.768 -1.620 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.902 -3.730 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.438 -2.089 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.533 -2.729 -9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.535 -2.818 -10.948 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.571 -4.124 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.589 -2.680 -9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.490 -0.637 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.545 -0.484 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.779 -0.355 -8.801 1.00 0.00 H new ATOM 83 N PHE A 9 -5.162 -0.744 -5.106 1.00 0.00 N ATOM 84 CA PHE A 9 -5.344 -0.128 -3.775 1.00 0.00 C ATOM 85 C PHE A 9 -5.863 1.318 -3.850 1.00 0.00 C ATOM 86 O PHE A 9 -5.391 2.126 -4.648 1.00 0.00 O ATOM 87 CB PHE A 9 -4.015 -0.201 -3.011 1.00 0.00 C ATOM 88 CG PHE A 9 -3.427 -1.617 -2.929 1.00 0.00 C ATOM 89 CD1 PHE A 9 -4.135 -2.660 -2.341 1.00 0.00 C ATOM 90 CD2 PHE A 9 -2.118 -1.829 -3.339 1.00 0.00 C ATOM 91 CE1 PHE A 9 -3.523 -3.884 -2.108 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.505 -3.057 -3.112 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.202 -4.081 -2.484 1.00 0.00 C ATOM 0 H PHE A 9 -4.597 -0.187 -5.747 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.112 -0.689 -3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.292 0.456 -3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.166 0.179 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.169 -2.516 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.574 -1.039 -3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.075 -4.682 -1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.484 -3.215 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.718 -5.027 -2.289 1.00 0.00 H new ATOM 100 N SER A 10 -6.795 1.634 -2.952 1.00 0.00 N ATOM 101 CA SER A 10 -7.456 2.961 -2.900 1.00 0.00 C ATOM 102 C SER A 10 -7.570 3.491 -1.464 1.00 0.00 C ATOM 103 O SER A 10 -8.209 2.856 -0.622 1.00 0.00 O ATOM 104 CB SER A 10 -8.876 2.885 -3.482 1.00 0.00 C ATOM 105 OG SER A 10 -8.873 2.266 -4.771 1.00 0.00 O ATOM 0 H SER A 10 -7.121 0.986 -2.235 1.00 0.00 H new ATOM 0 HA SER A 10 -6.833 3.635 -3.488 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.519 2.321 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.295 3.888 -3.558 1.00 0.00 H new ATOM 0 HG SER A 10 -9.789 2.229 -5.118 1.00 0.00 H new ATOM 108 N ILE A 11 -6.906 4.615 -1.190 1.00 0.00 N ATOM 109 CA ILE A 11 -7.012 5.289 0.129 1.00 0.00 C ATOM 110 C ILE A 11 -8.325 6.091 0.240 1.00 0.00 C ATOM 111 O ILE A 11 -8.854 6.555 -0.763 1.00 0.00 O ATOM 112 CB ILE A 11 -5.766 6.154 0.438 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.579 6.283 1.959 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.797 7.531 -0.250 1.00 0.00 C ATOM 115 CD1 ILE A 11 -4.186 6.759 2.395 1.00 0.00 C ATOM 0 H ILE A 11 -6.289 5.085 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.043 4.513 0.894 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.902 5.639 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.323 6.979 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.778 5.315 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.895 8.087 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.844 7.397 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.673 8.086 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.146 6.820 3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.434 6.053 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.988 7.742 1.969 1.00 0.00 H new ATOM 117 N ASP A 12 -8.740 6.356 1.473 1.00 0.00 N ATOM 118 CA ASP A 12 -9.903 7.224 1.748 1.00 0.00 C ATOM 119 C ASP A 12 -9.765 8.707 1.342 1.00 0.00 C ATOM 120 O ASP A 12 -10.747 9.314 0.930 1.00 0.00 O ATOM 121 CB ASP A 12 -10.255 7.077 3.234 1.00 0.00 C ATOM 122 CG ASP A 12 -11.753 7.208 3.550 1.00 0.00 C ATOM 123 OD1 ASP A 12 -12.557 7.287 2.597 1.00 0.00 O ATOM 124 OD2 ASP A 12 -12.048 7.211 4.764 1.00 0.00 O ATOM 0 H ASP A 12 -8.292 5.984 2.311 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.709 6.879 1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.907 6.105 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.710 7.832 3.800 1.00 0.00 H new ATOM 126 N LYS A 13 -8.558 9.271 1.475 1.00 0.00 N ATOM 127 CA LYS A 13 -8.260 10.726 1.369 1.00 0.00 C ATOM 128 C LYS A 13 -9.307 11.631 2.062 1.00 0.00 C ATOM 129 O LYS A 13 -9.765 12.652 1.553 1.00 0.00 O ATOM 130 CB LYS A 13 -7.971 11.140 -0.084 1.00 0.00 C ATOM 131 CG LYS A 13 -7.023 12.347 -0.157 1.00 0.00 C ATOM 132 CD LYS A 13 -7.639 13.693 -0.558 1.00 0.00 C ATOM 133 CE LYS A 13 -7.960 13.797 -2.052 1.00 0.00 C ATOM 134 NZ LYS A 13 -8.166 15.201 -2.439 1.00 0.00 N ATOM 0 H LYS A 13 -7.724 8.716 1.667 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.343 10.890 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.531 10.299 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.908 11.383 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.552 12.467 0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.230 12.112 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.554 13.850 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.952 14.494 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.145 13.369 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.854 13.216 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.383 15.253 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.959 15.598 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.303 15.746 -2.241 1.00 0.00 H new ATOM 139 N PHE A 14 -9.712 11.161 3.237 1.00 0.00 N ATOM 140 CA PHE A 14 -10.704 11.837 4.094 1.00 0.00 C ATOM 141 C PHE A 14 -10.136 12.309 5.448 1.00 0.00 C ATOM 142 O PHE A 14 -10.714 13.175 6.100 1.00 0.00 O ATOM 143 CB PHE A 14 -11.876 10.862 4.280 1.00 0.00 C ATOM 144 CG PHE A 14 -13.159 11.491 4.836 1.00 0.00 C ATOM 145 CD1 PHE A 14 -13.553 12.778 4.478 1.00 0.00 C ATOM 146 CD2 PHE A 14 -13.944 10.749 5.709 1.00 0.00 C ATOM 147 CE1 PHE A 14 -14.715 13.325 5.005 1.00 0.00 C ATOM 148 CE2 PHE A 14 -15.110 11.295 6.234 1.00 0.00 C ATOM 149 CZ PHE A 14 -15.494 12.584 5.885 1.00 0.00 C ATOM 0 H PHE A 14 -9.362 10.289 3.634 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.028 12.756 3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -12.102 10.401 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.561 10.062 4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.953 13.352 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.648 9.746 5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.013 14.326 4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.718 10.717 6.914 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.397 13.009 6.297 1.00 0.00 H new ATOM 156 N LYS A 15 -8.971 11.765 5.814 1.00 0.00 N ATOM 157 CA LYS A 15 -8.269 12.000 7.094 1.00 0.00 C ATOM 158 C LYS A 15 -6.879 11.319 7.040 1.00 0.00 C ATOM 159 O LYS A 15 -6.425 10.975 5.949 1.00 0.00 O ATOM 160 CB LYS A 15 -9.152 11.472 8.237 1.00 0.00 C ATOM 161 CG LYS A 15 -8.990 12.313 9.508 1.00 0.00 C ATOM 162 CD LYS A 15 -10.066 12.005 10.555 1.00 0.00 C ATOM 163 CE LYS A 15 -11.394 12.746 10.335 1.00 0.00 C ATOM 164 NZ LYS A 15 -12.107 12.361 9.104 1.00 0.00 N ATOM 0 H LYS A 15 -8.465 11.121 5.206 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.098 13.062 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.196 11.480 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.891 10.435 8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.005 12.130 9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.032 13.371 9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.258 10.932 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.680 12.261 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.045 12.563 11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.198 13.818 10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.119 12.580 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.718 12.890 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.989 11.341 8.939 1.00 0.00 H new ATOM 169 N CYS A 16 -6.308 11.003 8.209 1.00 0.00 N ATOM 170 CA CYS A 16 -4.943 10.460 8.418 1.00 0.00 C ATOM 171 C CYS A 16 -3.827 11.452 8.034 1.00 0.00 C ATOM 172 O CYS A 16 -3.277 11.424 6.935 1.00 0.00 O ATOM 173 CB CYS A 16 -4.750 9.096 7.728 1.00 0.00 C ATOM 174 SG CYS A 16 -5.838 7.765 8.355 1.00 0.00 S ATOM 0 H CYS A 16 -6.808 11.123 9.090 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.852 10.301 9.492 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.924 9.216 6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.712 8.786 7.849 1.00 0.00 H new ATOM 176 N ASN A 17 -3.425 12.247 9.031 1.00 0.00 N ATOM 177 CA ASN A 17 -2.349 13.269 8.922 1.00 0.00 C ATOM 178 C ASN A 17 -0.919 12.691 8.797 1.00 0.00 C ATOM 179 O ASN A 17 0.065 13.414 8.673 1.00 0.00 O ATOM 180 CB ASN A 17 -2.462 14.204 10.135 1.00 0.00 C ATOM 181 CG ASN A 17 -1.487 15.392 10.133 1.00 0.00 C ATOM 182 OD1 ASN A 17 -0.761 15.633 11.084 1.00 0.00 O ATOM 183 ND2 ASN A 17 -1.434 16.144 9.054 1.00 0.00 N ATOM 0 H ASN A 17 -3.840 12.206 9.962 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.501 13.808 7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.480 14.589 10.184 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.298 13.620 11.041 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.785 16.930 9.011 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.042 15.941 8.260 1.00 0.00 H new ATOM 187 N SER A 18 -0.858 11.369 8.761 1.00 0.00 N ATOM 188 CA SER A 18 0.344 10.530 8.636 1.00 0.00 C ATOM 189 C SER A 18 1.157 10.781 7.344 1.00 0.00 C ATOM 190 O SER A 18 1.835 11.795 7.206 1.00 0.00 O ATOM 191 CB SER A 18 -0.128 9.077 8.841 1.00 0.00 C ATOM 192 OG SER A 18 -1.498 8.838 8.469 1.00 0.00 O ATOM 0 H SER A 18 -1.705 10.804 8.822 1.00 0.00 H new ATOM 0 HA SER A 18 1.081 10.789 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.514 8.414 8.261 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.003 8.810 9.890 1.00 0.00 H new ATOM 0 HG SER A 18 -1.617 9.033 7.516 1.00 0.00 H new ATOM 195 N GLU A 19 1.270 9.758 6.507 1.00 0.00 N ATOM 196 CA GLU A 19 1.860 9.822 5.155 1.00 0.00 C ATOM 197 C GLU A 19 1.081 10.707 4.165 1.00 0.00 C ATOM 198 O GLU A 19 -0.138 10.599 4.047 1.00 0.00 O ATOM 199 CB GLU A 19 2.014 8.380 4.656 1.00 0.00 C ATOM 200 CG GLU A 19 0.743 7.531 4.816 1.00 0.00 C ATOM 201 CD GLU A 19 0.984 6.023 4.734 1.00 0.00 C ATOM 202 OE1 GLU A 19 2.134 5.577 4.961 1.00 0.00 O ATOM 203 OE2 GLU A 19 -0.034 5.328 4.536 1.00 0.00 O ATOM 0 H GLU A 19 0.945 8.822 6.750 1.00 0.00 H new ATOM 0 HA GLU A 19 2.830 10.315 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.298 8.398 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.830 7.902 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.283 7.763 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.029 7.816 4.044 1.00 0.00 H new ATOM 205 N ALA A 20 1.842 11.497 3.404 1.00 0.00 N ATOM 206 CA ALA A 20 1.300 12.468 2.426 1.00 0.00 C ATOM 207 C ALA A 20 2.192 12.666 1.180 1.00 0.00 C ATOM 208 O ALA A 20 2.115 11.849 0.266 1.00 0.00 O ATOM 209 CB ALA A 20 0.945 13.788 3.129 1.00 0.00 C ATOM 0 H ALA A 20 2.861 11.487 3.443 1.00 0.00 H new ATOM 0 HA ALA A 20 0.381 12.041 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.548 14.493 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.196 13.601 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.840 14.207 3.589 1.00 0.00 H new ATOM 211 N LYS A 21 3.135 13.615 1.210 1.00 0.00 N ATOM 212 CA LYS A 21 4.032 13.936 0.073 1.00 0.00 C ATOM 213 C LYS A 21 4.788 12.716 -0.479 1.00 0.00 C ATOM 214 O LYS A 21 4.444 12.210 -1.546 1.00 0.00 O ATOM 215 CB LYS A 21 5.018 15.065 0.420 1.00 0.00 C ATOM 216 CG LYS A 21 4.412 16.475 0.365 1.00 0.00 C ATOM 217 CD LYS A 21 3.452 16.816 1.513 1.00 0.00 C ATOM 218 CE LYS A 21 4.142 16.975 2.873 1.00 0.00 C ATOM 219 NZ LYS A 21 5.017 18.156 2.917 1.00 0.00 N ATOM 0 H LYS A 21 3.306 14.194 2.032 1.00 0.00 H new ATOM 0 HA LYS A 21 3.370 14.282 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.413 14.891 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.862 15.018 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.224 17.203 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.879 16.588 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.927 17.741 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.698 16.032 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.387 17.055 3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.729 16.082 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.355 18.301 3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.830 18.009 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.485 18.994 2.607 1.00 0.00 H new ATOM 224 N TYR A 22 5.722 12.200 0.323 1.00 0.00 N ATOM 225 CA TYR A 22 6.475 10.967 0.016 1.00 0.00 C ATOM 226 C TYR A 22 5.582 9.738 -0.264 1.00 0.00 C ATOM 227 O TYR A 22 5.820 9.020 -1.230 1.00 0.00 O ATOM 228 CB TYR A 22 7.511 10.715 1.123 1.00 0.00 C ATOM 229 CG TYR A 22 6.983 10.146 2.447 1.00 0.00 C ATOM 230 CD1 TYR A 22 5.895 10.684 3.127 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.502 8.927 2.851 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.303 9.971 4.163 1.00 0.00 C ATOM 233 CE2 TYR A 22 6.895 8.194 3.857 1.00 0.00 C ATOM 234 CZ TYR A 22 5.786 8.713 4.508 1.00 0.00 C ATOM 235 OH TYR A 22 5.128 7.967 5.429 1.00 0.00 O ATOM 0 H TYR A 22 5.984 12.624 1.213 1.00 0.00 H new ATOM 0 HA TYR A 22 6.998 11.125 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.264 10.029 0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.017 11.657 1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.511 11.655 2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.392 8.543 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.467 10.394 4.701 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.283 7.224 4.133 1.00 0.00 H new ATOM 0 HH TYR A 22 5.537 7.078 5.483 1.00 0.00 H new ATOM 242 N TYR A 23 4.416 9.696 0.388 1.00 0.00 N ATOM 243 CA TYR A 23 3.389 8.665 0.137 1.00 0.00 C ATOM 244 C TYR A 23 2.905 8.740 -1.319 1.00 0.00 C ATOM 245 O TYR A 23 3.317 7.916 -2.126 1.00 0.00 O ATOM 246 CB TYR A 23 2.210 8.780 1.107 1.00 0.00 C ATOM 247 CG TYR A 23 1.403 7.477 1.179 1.00 0.00 C ATOM 248 CD1 TYR A 23 1.996 6.356 1.743 1.00 0.00 C ATOM 249 CD2 TYR A 23 0.077 7.409 0.767 1.00 0.00 C ATOM 250 CE1 TYR A 23 1.289 5.169 1.873 1.00 0.00 C ATOM 251 CE2 TYR A 23 -0.639 6.228 0.923 1.00 0.00 C ATOM 252 CZ TYR A 23 -0.029 5.102 1.458 1.00 0.00 C ATOM 253 OH TYR A 23 -0.725 3.950 1.630 1.00 0.00 O ATOM 0 H TYR A 23 4.152 10.372 1.105 1.00 0.00 H new ATOM 0 HA TYR A 23 3.850 7.692 0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.580 9.034 2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.558 9.595 0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.019 6.408 2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.397 8.274 0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.767 4.299 2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.677 6.186 0.626 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.636 4.064 1.288 1.00 0.00 H new ATOM 260 N LEU A 24 2.271 9.846 -1.704 1.00 0.00 N ATOM 261 CA LEU A 24 1.771 10.014 -3.084 1.00 0.00 C ATOM 262 C LEU A 24 2.877 9.965 -4.156 1.00 0.00 C ATOM 263 O LEU A 24 2.804 9.111 -5.033 1.00 0.00 O ATOM 264 CB LEU A 24 0.842 11.234 -3.205 1.00 0.00 C ATOM 265 CG LEU A 24 1.471 12.602 -2.919 1.00 0.00 C ATOM 266 CD1 LEU A 24 1.911 13.286 -4.215 1.00 0.00 C ATOM 267 CD2 LEU A 24 0.480 13.485 -2.160 1.00 0.00 C ATOM 0 H LEU A 24 2.088 10.640 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 24 1.159 9.138 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.431 11.251 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.004 11.094 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 24 2.357 12.450 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.354 14.255 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.647 12.663 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.046 13.428 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.935 14.455 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.419 13.623 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.216 13.008 -1.216 1.00 0.00 H new ATOM 269 N ASN A 25 4.011 10.613 -3.884 1.00 0.00 N ATOM 270 CA ASN A 25 5.169 10.629 -4.804 1.00 0.00 C ATOM 271 C ASN A 25 5.815 9.255 -5.072 1.00 0.00 C ATOM 272 O ASN A 25 6.414 9.055 -6.124 1.00 0.00 O ATOM 273 CB ASN A 25 6.225 11.621 -4.303 1.00 0.00 C ATOM 274 CG ASN A 25 6.223 12.931 -5.097 1.00 0.00 C ATOM 275 OD1 ASN A 25 7.211 13.343 -5.683 1.00 0.00 O ATOM 276 ND2 ASN A 25 5.125 13.653 -5.088 1.00 0.00 N ATOM 0 H ASN A 25 4.161 11.142 -3.025 1.00 0.00 H new ATOM 0 HA ASN A 25 4.766 10.945 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.045 11.838 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.211 11.161 -4.369 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.102 14.552 -5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.296 13.314 -4.600 1.00 0.00 H new ATOM 280 N ILE A 26 5.748 8.361 -4.085 1.00 0.00 N ATOM 281 CA ILE A 26 6.347 7.012 -4.191 1.00 0.00 C ATOM 282 C ILE A 26 5.294 5.869 -4.116 1.00 0.00 C ATOM 283 O ILE A 26 5.640 4.698 -4.055 1.00 0.00 O ATOM 284 CB ILE A 26 7.530 6.967 -3.179 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.607 7.998 -3.543 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.277 5.636 -3.055 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.568 9.256 -2.672 1.00 0.00 C ATOM 0 H ILE A 26 5.284 8.540 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 26 6.761 6.821 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 26 7.025 7.165 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.589 7.533 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.486 8.285 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.076 5.734 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.584 4.858 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.703 5.367 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.357 9.940 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.600 9.744 -2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.720 8.981 -1.628 1.00 0.00 H new ATOM 289 N ILE A 27 3.995 6.173 -4.074 1.00 0.00 N ATOM 290 CA ILE A 27 2.937 5.131 -4.121 1.00 0.00 C ATOM 291 C ILE A 27 1.726 5.404 -5.043 1.00 0.00 C ATOM 292 O ILE A 27 1.046 4.468 -5.461 1.00 0.00 O ATOM 293 CB ILE A 27 2.579 4.701 -2.680 1.00 0.00 C ATOM 294 CG1 ILE A 27 2.515 3.172 -2.519 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.398 5.440 -2.035 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.376 2.389 -3.178 1.00 0.00 C ATOM 0 H ILE A 27 3.639 7.127 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 27 3.368 4.277 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 27 3.426 5.043 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.452 2.765 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.483 2.958 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.237 5.058 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.618 6.507 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.500 5.281 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.490 1.327 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.420 2.739 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.405 2.543 -4.257 1.00 0.00 H new ATOM 298 N GLU A 28 1.422 6.677 -5.300 1.00 0.00 N ATOM 299 CA GLU A 28 0.335 7.058 -6.225 1.00 0.00 C ATOM 300 C GLU A 28 0.756 6.760 -7.674 1.00 0.00 C ATOM 301 O GLU A 28 1.500 7.509 -8.305 1.00 0.00 O ATOM 302 CB GLU A 28 -0.105 8.511 -5.981 1.00 0.00 C ATOM 303 CG GLU A 28 -1.051 9.125 -7.025 1.00 0.00 C ATOM 304 CD GLU A 28 -2.270 8.257 -7.353 1.00 0.00 C ATOM 305 OE1 GLU A 28 -3.260 8.346 -6.593 1.00 0.00 O ATOM 306 OE2 GLU A 28 -2.224 7.595 -8.411 1.00 0.00 O ATOM 0 H GLU A 28 1.911 7.469 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.551 6.454 -6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.593 8.561 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.788 9.133 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.395 10.094 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.492 9.309 -7.942 1.00 0.00 H new ATOM 308 N GLY A 29 0.280 5.595 -8.108 1.00 0.00 N ATOM 309 CA GLY A 29 0.629 4.992 -9.407 1.00 0.00 C ATOM 310 C GLY A 29 1.019 3.517 -9.233 1.00 0.00 C ATOM 311 O GLY A 29 0.623 2.878 -8.260 1.00 0.00 O ATOM 0 H GLY A 29 -0.370 5.029 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.217 5.072 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.455 5.541 -9.858 1.00 0.00 H new ATOM 313 N GLU A 30 1.849 3.042 -10.157 1.00 0.00 N ATOM 314 CA GLU A 30 2.165 1.602 -10.287 1.00 0.00 C ATOM 315 C GLU A 30 3.661 1.300 -10.130 1.00 0.00 C ATOM 316 O GLU A 30 4.495 1.734 -10.924 1.00 0.00 O ATOM 317 CB GLU A 30 1.727 0.965 -11.619 1.00 0.00 C ATOM 318 CG GLU A 30 0.611 1.665 -12.407 1.00 0.00 C ATOM 319 CD GLU A 30 1.092 2.810 -13.311 1.00 0.00 C ATOM 320 OE1 GLU A 30 2.167 3.390 -13.033 1.00 0.00 O ATOM 321 OE2 GLU A 30 0.335 3.114 -14.256 1.00 0.00 O ATOM 0 H GLU A 30 2.325 3.632 -10.839 1.00 0.00 H new ATOM 0 HA GLU A 30 1.589 1.164 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.603 0.898 -12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.404 -0.056 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.098 0.925 -13.021 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.122 2.058 -11.703 1.00 0.00 H new ATOM 323 N TRP A 31 3.944 0.471 -9.135 1.00 0.00 N ATOM 324 CA TRP A 31 5.284 -0.096 -8.895 1.00 0.00 C ATOM 325 C TRP A 31 5.707 -1.132 -9.931 1.00 0.00 C ATOM 326 O TRP A 31 5.110 -2.199 -10.052 1.00 0.00 O ATOM 327 CB TRP A 31 5.396 -0.684 -7.495 1.00 0.00 C ATOM 328 CG TRP A 31 5.580 0.465 -6.515 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.617 1.174 -5.932 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.800 0.978 -6.112 1.00 0.00 C ATOM 331 NE1 TRP A 31 5.174 2.104 -5.161 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.498 2.001 -5.234 1.00 0.00 C ATOM 333 CE3 TRP A 31 8.120 0.610 -6.342 1.00 0.00 C ATOM 334 CZ2 TRP A 31 7.521 2.658 -4.571 1.00 0.00 C ATOM 335 CZ3 TRP A 31 9.141 1.272 -5.671 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.840 2.330 -4.828 1.00 0.00 C ATOM 0 H TRP A 31 3.247 0.163 -8.457 1.00 0.00 H new ATOM 0 HA TRP A 31 5.972 0.744 -8.990 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.501 -1.255 -7.249 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.239 -1.373 -7.437 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.556 1.020 -6.063 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.665 2.789 -4.602 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.351 -0.184 -7.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.288 3.429 -3.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.167 0.963 -5.806 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.636 2.899 -4.371 1.00 0.00 H new ATOM 344 N HIS A 32 6.770 -0.758 -10.637 1.00 0.00 N ATOM 345 CA HIS A 32 7.366 -1.508 -11.764 1.00 0.00 C ATOM 346 C HIS A 32 6.321 -1.688 -12.898 1.00 0.00 C ATOM 347 O HIS A 32 5.932 -2.816 -13.222 1.00 0.00 O ATOM 348 CB HIS A 32 7.927 -2.832 -11.220 1.00 0.00 C ATOM 349 CG HIS A 32 9.213 -3.272 -11.913 1.00 0.00 C ATOM 350 ND1 HIS A 32 10.438 -2.875 -11.574 1.00 0.00 N ATOM 351 CD2 HIS A 32 9.328 -4.272 -12.781 1.00 0.00 C ATOM 352 CE1 HIS A 32 11.311 -3.634 -12.227 1.00 0.00 C ATOM 353 NE2 HIS A 32 10.623 -4.496 -12.971 1.00 0.00 N ATOM 0 H HIS A 32 7.268 0.110 -10.440 1.00 0.00 H new ATOM 0 HA HIS A 32 8.195 -0.960 -12.213 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.116 -2.727 -10.152 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.175 -3.612 -11.336 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.514 -4.807 -13.248 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.387 -3.564 -12.165 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.022 -5.208 -13.583 1.00 0.00 H new ATOM 356 N PRO A 33 5.920 -0.580 -13.557 1.00 0.00 N ATOM 357 CA PRO A 33 4.843 -0.566 -14.575 1.00 0.00 C ATOM 358 C PRO A 33 5.289 -1.107 -15.950 1.00 0.00 C ATOM 359 O PRO A 33 5.005 -0.542 -17.002 1.00 0.00 O ATOM 360 CB PRO A 33 4.413 0.903 -14.613 1.00 0.00 C ATOM 361 CG PRO A 33 5.725 1.656 -14.397 1.00 0.00 C ATOM 362 CD PRO A 33 6.472 0.782 -13.387 1.00 0.00 C ATOM 0 HA PRO A 33 4.022 -1.236 -14.319 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.952 1.163 -15.566 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.685 1.130 -13.834 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.284 1.764 -15.326 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.553 2.660 -14.010 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.546 0.796 -13.574 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.321 1.142 -12.369 1.00 0.00 H new ATOM 363 N GLN A 34 5.966 -2.251 -15.899 1.00 0.00 N ATOM 364 CA GLN A 34 6.620 -2.907 -17.054 1.00 0.00 C ATOM 365 C GLN A 34 6.819 -4.428 -16.876 1.00 0.00 C ATOM 366 O GLN A 34 7.607 -5.056 -17.579 1.00 0.00 O ATOM 367 CB GLN A 34 7.955 -2.191 -17.334 1.00 0.00 C ATOM 368 CG GLN A 34 8.902 -2.161 -16.126 1.00 0.00 C ATOM 369 CD GLN A 34 10.063 -1.188 -16.331 1.00 0.00 C ATOM 370 OE1 GLN A 34 11.131 -1.525 -16.815 1.00 0.00 O ATOM 371 NE2 GLN A 34 9.860 0.060 -15.960 1.00 0.00 N ATOM 0 H GLN A 34 6.085 -2.772 -15.030 1.00 0.00 H new ATOM 0 HA GLN A 34 5.954 -2.814 -17.912 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.456 -2.687 -18.166 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.750 -1.168 -17.650 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.343 -1.876 -15.235 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.295 -3.162 -15.949 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.964 0.333 -15.556 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.599 0.753 -16.077 1.00 0.00 H new ATOM 375 N ASP A 35 5.937 -5.030 -16.074 1.00 0.00 N ATOM 376 CA ASP A 35 5.965 -6.467 -15.723 1.00 0.00 C ATOM 377 C ASP A 35 5.383 -7.377 -16.834 1.00 0.00 C ATOM 378 O ASP A 35 4.384 -8.060 -16.612 1.00 0.00 O ATOM 379 CB ASP A 35 5.222 -6.613 -14.382 1.00 0.00 C ATOM 380 CG ASP A 35 5.423 -7.945 -13.639 1.00 0.00 C ATOM 381 OD1 ASP A 35 5.967 -8.893 -14.245 1.00 0.00 O ATOM 382 OD2 ASP A 35 5.042 -7.957 -12.450 1.00 0.00 O ATOM 0 H ASP A 35 5.164 -4.528 -15.637 1.00 0.00 H new ATOM 0 HA ASP A 35 6.996 -6.807 -15.625 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.537 -5.803 -13.725 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.156 -6.479 -14.564 1.00 0.00 H new ATOM 384 N LEU A 36 5.877 -7.155 -18.056 1.00 0.00 N ATOM 385 CA LEU A 36 5.583 -7.883 -19.314 1.00 0.00 C ATOM 386 C LEU A 36 4.173 -8.484 -19.522 1.00 0.00 C ATOM 387 O LEU A 36 4.002 -9.480 -20.221 1.00 0.00 O ATOM 388 CB LEU A 36 6.695 -8.921 -19.517 1.00 0.00 C ATOM 389 CG LEU A 36 7.553 -8.572 -20.736 1.00 0.00 C ATOM 390 CD1 LEU A 36 9.037 -8.746 -20.405 1.00 0.00 C ATOM 391 CD2 LEU A 36 7.175 -9.470 -21.917 1.00 0.00 C ATOM 0 H LEU A 36 6.548 -6.403 -18.214 1.00 0.00 H new ATOM 0 HA LEU A 36 5.568 -7.117 -20.090 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.322 -8.966 -18.627 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.255 -9.910 -19.648 1.00 0.00 H new ATOM 0 HG LEU A 36 7.371 -7.532 -21.006 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.637 -8.495 -21.280 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.305 -8.087 -19.580 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.227 -9.781 -20.120 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.790 -9.215 -22.780 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.341 -10.513 -21.649 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.124 -9.322 -22.165 1.00 0.00 H new ATOM 393 N ASN A 37 3.172 -7.673 -19.175 1.00 0.00 N ATOM 394 CA ASN A 37 1.748 -8.079 -19.045 1.00 0.00 C ATOM 395 C ASN A 37 0.879 -6.930 -18.489 1.00 0.00 C ATOM 396 O ASN A 37 -0.288 -6.788 -18.835 1.00 0.00 O ATOM 397 CB ASN A 37 1.596 -9.307 -18.124 1.00 0.00 C ATOM 398 CG ASN A 37 0.241 -10.020 -18.250 1.00 0.00 C ATOM 399 OD1 ASN A 37 -0.631 -9.676 -19.032 1.00 0.00 O ATOM 400 ND2 ASN A 37 0.047 -11.087 -17.505 1.00 0.00 N ATOM 0 H ASN A 37 3.321 -6.685 -18.968 1.00 0.00 H new ATOM 0 HA ASN A 37 1.406 -8.334 -20.048 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.391 -10.018 -18.349 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.734 -8.992 -17.090 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.823 -11.614 -17.586 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.766 -11.387 -16.847 1.00 0.00 H new ATOM 404 N ASP A 38 1.509 -6.111 -17.639 1.00 0.00 N ATOM 405 CA ASP A 38 0.953 -4.928 -16.942 1.00 0.00 C ATOM 406 C ASP A 38 0.062 -5.376 -15.767 1.00 0.00 C ATOM 407 O ASP A 38 -1.147 -5.172 -15.710 1.00 0.00 O ATOM 408 CB ASP A 38 0.233 -3.966 -17.907 1.00 0.00 C ATOM 409 CG ASP A 38 0.370 -2.490 -17.520 1.00 0.00 C ATOM 410 OD1 ASP A 38 0.500 -2.209 -16.305 1.00 0.00 O ATOM 411 OD2 ASP A 38 0.452 -1.676 -18.464 1.00 0.00 O ATOM 0 H ASP A 38 2.489 -6.261 -17.398 1.00 0.00 H new ATOM 0 HA ASP A 38 1.782 -4.353 -16.529 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.631 -4.108 -18.912 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.825 -4.226 -17.944 1.00 0.00 H new ATOM 413 N SER A 39 0.798 -5.765 -14.730 1.00 0.00 N ATOM 414 CA SER A 39 0.271 -6.457 -13.534 1.00 0.00 C ATOM 415 C SER A 39 0.727 -5.920 -12.151 1.00 0.00 C ATOM 416 O SER A 39 0.695 -6.674 -11.174 1.00 0.00 O ATOM 417 CB SER A 39 0.756 -7.900 -13.676 1.00 0.00 C ATOM 418 OG SER A 39 0.179 -8.547 -14.813 1.00 0.00 O ATOM 0 H SER A 39 1.805 -5.609 -14.687 1.00 0.00 H new ATOM 0 HA SER A 39 -0.809 -6.312 -13.522 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.842 -7.911 -13.765 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.504 -8.458 -12.774 1.00 0.00 H new ATOM 0 HG SER A 39 -0.775 -8.704 -14.651 1.00 0.00 H new ATOM 421 N PRO A 40 1.095 -4.636 -12.018 1.00 0.00 N ATOM 422 CA PRO A 40 1.931 -4.149 -10.904 1.00 0.00 C ATOM 423 C PRO A 40 1.125 -3.853 -9.620 1.00 0.00 C ATOM 424 O PRO A 40 0.024 -4.364 -9.414 1.00 0.00 O ATOM 425 CB PRO A 40 2.578 -2.882 -11.490 1.00 0.00 C ATOM 426 CG PRO A 40 2.035 -2.731 -12.912 1.00 0.00 C ATOM 427 CD PRO A 40 0.710 -3.481 -12.846 1.00 0.00 C ATOM 0 HA PRO A 40 2.656 -4.893 -10.573 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.333 -2.008 -10.887 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.664 -2.970 -11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.895 -1.685 -13.183 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.709 -3.164 -13.651 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.080 -2.887 -12.387 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.353 -3.779 -13.832 1.00 0.00 H new ATOM 428 N LEU A 41 1.725 -3.023 -8.769 1.00 0.00 N ATOM 429 CA LEU A 41 1.120 -2.472 -7.541 1.00 0.00 C ATOM 430 C LEU A 41 0.703 -1.013 -7.791 1.00 0.00 C ATOM 431 O LEU A 41 1.552 -0.128 -7.869 1.00 0.00 O ATOM 432 CB LEU A 41 2.142 -2.680 -6.401 1.00 0.00 C ATOM 433 CG LEU A 41 2.382 -1.564 -5.368 1.00 0.00 C ATOM 434 CD1 LEU A 41 1.157 -1.237 -4.517 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.541 -1.951 -4.455 1.00 0.00 C ATOM 0 H LEU A 41 2.681 -2.699 -8.914 1.00 0.00 H new ATOM 0 HA LEU A 41 0.201 -2.978 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.837 -3.570 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.103 -2.905 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 41 2.615 -0.665 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.404 -0.442 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.342 -0.910 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.849 -2.126 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.709 -1.159 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.301 -2.879 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.443 -2.092 -5.051 1.00 0.00 H new ATOM 437 N LYS A 42 -0.591 -0.828 -8.042 1.00 0.00 N ATOM 438 CA LYS A 42 -1.164 0.505 -8.298 1.00 0.00 C ATOM 439 C LYS A 42 -2.176 0.974 -7.244 1.00 0.00 C ATOM 440 O LYS A 42 -3.077 0.247 -6.823 1.00 0.00 O ATOM 441 CB LYS A 42 -1.732 0.660 -9.716 1.00 0.00 C ATOM 442 CG LYS A 42 -2.850 -0.313 -10.113 1.00 0.00 C ATOM 443 CD LYS A 42 -3.485 0.096 -11.448 1.00 0.00 C ATOM 444 CE LYS A 42 -2.599 -0.196 -12.663 1.00 0.00 C ATOM 445 NZ LYS A 42 -3.139 0.444 -13.873 1.00 0.00 N ATOM 0 H LYS A 42 -1.272 -1.586 -8.075 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.306 1.172 -8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.110 1.677 -9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.913 0.548 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.447 -1.323 -10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.613 -0.334 -9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.433 -0.429 -11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.712 1.162 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.588 0.166 -12.476 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.529 -1.273 -12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.522 0.232 -14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.095 0.080 -14.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.183 1.473 -13.731 1.00 0.00 H new ATOM 450 N PHE A 43 -1.886 2.174 -6.757 1.00 0.00 N ATOM 451 CA PHE A 43 -2.701 2.866 -5.746 1.00 0.00 C ATOM 452 C PHE A 43 -3.142 4.283 -6.155 1.00 0.00 C ATOM 453 O PHE A 43 -2.344 5.091 -6.635 1.00 0.00 O ATOM 454 CB PHE A 43 -1.911 2.834 -4.432 1.00 0.00 C ATOM 455 CG PHE A 43 -2.346 3.848 -3.375 1.00 0.00 C ATOM 456 CD1 PHE A 43 -1.774 5.111 -3.415 1.00 0.00 C ATOM 457 CD2 PHE A 43 -3.250 3.517 -2.376 1.00 0.00 C ATOM 458 CE1 PHE A 43 -2.098 6.055 -2.455 1.00 0.00 C ATOM 459 CE2 PHE A 43 -3.559 4.451 -1.399 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.992 5.720 -1.449 1.00 0.00 C ATOM 0 H PHE A 43 -1.068 2.708 -7.052 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.651 2.345 -5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.991 1.834 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.858 3.001 -4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.073 5.359 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.709 2.540 -2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.659 7.041 -2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.239 4.194 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.250 6.451 -0.697 1.00 0.00 H new ATOM 467 N ILE A 44 -4.384 4.566 -5.773 1.00 0.00 N ATOM 468 CA ILE A 44 -5.076 5.853 -5.992 1.00 0.00 C ATOM 469 C ILE A 44 -5.569 6.483 -4.663 1.00 0.00 C ATOM 470 O ILE A 44 -5.623 5.834 -3.616 1.00 0.00 O ATOM 471 CB ILE A 44 -6.188 5.632 -7.050 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.668 6.929 -7.717 1.00 0.00 C ATOM 473 CG2 ILE A 44 -7.392 4.845 -6.517 1.00 0.00 C ATOM 474 CD1 ILE A 44 -5.645 7.504 -8.702 1.00 0.00 C ATOM 0 H ILE A 44 -4.966 3.887 -5.283 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.383 6.596 -6.387 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.701 5.025 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.603 6.737 -8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.881 7.671 -6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.130 4.728 -7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.064 3.862 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.839 5.385 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.039 8.420 -9.142 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.717 7.725 -8.175 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.450 6.777 -9.490 1.00 0.00 H new ATOM 476 N LEU A 45 -5.990 7.744 -4.757 1.00 0.00 N ATOM 477 CA LEU A 45 -6.541 8.517 -3.625 1.00 0.00 C ATOM 478 C LEU A 45 -8.057 8.750 -3.748 1.00 0.00 C ATOM 479 O LEU A 45 -8.608 8.779 -4.847 1.00 0.00 O ATOM 480 CB LEU A 45 -5.811 9.857 -3.444 1.00 0.00 C ATOM 481 CG LEU A 45 -4.427 9.701 -2.798 1.00 0.00 C ATOM 482 CD1 LEU A 45 -3.306 9.676 -3.834 1.00 0.00 C ATOM 483 CD2 LEU A 45 -4.167 10.815 -1.785 1.00 0.00 C ATOM 0 H LEU A 45 -5.961 8.272 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.374 7.907 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.701 10.339 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.422 10.517 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.431 8.740 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.346 9.564 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.458 8.838 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.312 10.608 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.180 10.681 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.211 11.781 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.924 10.779 -1.002 1.00 0.00 H new ATOM 485 N SER A 46 -8.691 8.715 -2.578 1.00 0.00 N ATOM 486 CA SER A 46 -10.144 8.891 -2.336 1.00 0.00 C ATOM 487 C SER A 46 -11.020 7.864 -3.086 1.00 0.00 C ATOM 488 O SER A 46 -10.652 6.692 -3.158 1.00 0.00 O ATOM 489 CB SER A 46 -10.608 10.359 -2.442 1.00 0.00 C ATOM 490 OG SER A 46 -10.594 10.846 -3.786 1.00 0.00 O ATOM 0 H SER A 46 -8.181 8.553 -1.709 1.00 0.00 H new ATOM 0 HA SER A 46 -10.307 8.646 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.617 10.447 -2.038 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.963 10.985 -1.826 1.00 0.00 H new ATOM 0 HG SER A 46 -10.118 10.210 -4.360 1.00 0.00 H new ATOM 493 N THR A 47 -12.110 8.323 -3.705 1.00 0.00 N ATOM 494 CA THR A 47 -13.166 7.515 -4.373 1.00 0.00 C ATOM 495 C THR A 47 -13.947 6.583 -3.422 1.00 0.00 C ATOM 496 O THR A 47 -13.679 6.513 -2.220 1.00 0.00 O ATOM 497 CB THR A 47 -12.679 6.741 -5.618 1.00 0.00 C ATOM 498 OG1 THR A 47 -11.804 5.671 -5.256 1.00 0.00 O ATOM 499 CG2 THR A 47 -12.029 7.664 -6.657 1.00 0.00 C ATOM 0 H THR A 47 -12.302 9.323 -3.764 1.00 0.00 H new ATOM 0 HA THR A 47 -13.867 8.273 -4.723 1.00 0.00 H new ATOM 0 HB THR A 47 -13.563 6.307 -6.086 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.561 5.753 -4.310 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.703 7.075 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.753 8.410 -6.984 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.169 8.164 -6.212 1.00 0.00 H new ATOM 502 N SER A 48 -15.047 6.041 -3.949 1.00 0.00 N ATOM 503 CA SER A 48 -16.018 5.173 -3.232 1.00 0.00 C ATOM 504 C SER A 48 -16.602 5.730 -1.915 1.00 0.00 C ATOM 505 O SER A 48 -17.078 4.979 -1.063 1.00 0.00 O ATOM 506 CB SER A 48 -15.426 3.773 -2.998 1.00 0.00 C ATOM 507 OG SER A 48 -15.173 3.136 -4.253 1.00 0.00 O ATOM 0 H SER A 48 -15.307 6.193 -4.924 1.00 0.00 H new ATOM 0 HA SER A 48 -16.872 5.129 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.501 3.851 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 48 -16.116 3.171 -2.407 1.00 0.00 H new ATOM 0 HG SER A 48 -14.794 2.246 -4.097 1.00 0.00 H new ATOM 510 N ASP A 49 -16.679 7.062 -1.819 1.00 0.00 N ATOM 511 CA ASP A 49 -17.082 7.826 -0.612 1.00 0.00 C ATOM 512 C ASP A 49 -16.174 7.599 0.610 1.00 0.00 C ATOM 513 O ASP A 49 -15.379 8.471 0.949 1.00 0.00 O ATOM 514 CB ASP A 49 -18.566 7.652 -0.251 1.00 0.00 C ATOM 515 CG ASP A 49 -19.470 8.482 -1.164 1.00 0.00 C ATOM 516 OD1 ASP A 49 -19.815 7.966 -2.249 1.00 0.00 O ATOM 517 OD2 ASP A 49 -19.775 9.626 -0.764 1.00 0.00 O ATOM 0 H ASP A 49 -16.455 7.670 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.942 8.868 -0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.839 6.599 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.726 7.948 0.786 1.00 0.00 H new ATOM 519 N ASP A 50 -16.211 6.385 1.157 1.00 0.00 N ATOM 520 CA ASP A 50 -15.379 5.986 2.308 1.00 0.00 C ATOM 521 C ASP A 50 -14.257 5.007 1.885 1.00 0.00 C ATOM 522 O ASP A 50 -13.580 4.419 2.729 1.00 0.00 O ATOM 523 CB ASP A 50 -16.305 5.341 3.349 1.00 0.00 C ATOM 524 CG ASP A 50 -15.823 5.453 4.802 1.00 0.00 C ATOM 525 OD1 ASP A 50 -14.601 5.576 5.031 1.00 0.00 O ATOM 526 OD2 ASP A 50 -16.721 5.436 5.675 1.00 0.00 O ATOM 0 H ASP A 50 -16.820 5.641 0.817 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.884 6.861 2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.290 5.801 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.426 4.286 3.102 1.00 0.00 H new ATOM 528 N SER A 51 -13.905 5.041 0.596 1.00 0.00 N ATOM 529 CA SER A 51 -12.948 4.118 -0.063 1.00 0.00 C ATOM 530 C SER A 51 -13.184 2.633 0.297 1.00 0.00 C ATOM 531 O SER A 51 -14.308 2.236 0.593 1.00 0.00 O ATOM 532 CB SER A 51 -11.508 4.561 0.241 1.00 0.00 C ATOM 533 OG SER A 51 -11.172 4.251 1.601 1.00 0.00 O ATOM 0 H SER A 51 -14.287 5.733 -0.049 1.00 0.00 H new ATOM 0 HA SER A 51 -13.119 4.180 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.815 4.061 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.405 5.632 0.068 1.00 0.00 H new ATOM 0 HG SER A 51 -11.987 4.025 2.096 1.00 0.00 H new ATOM 536 N ASP A 52 -12.136 1.818 0.171 1.00 0.00 N ATOM 537 CA ASP A 52 -12.118 0.419 0.651 1.00 0.00 C ATOM 538 C ASP A 52 -11.031 0.144 1.714 1.00 0.00 C ATOM 539 O ASP A 52 -11.189 -0.752 2.545 1.00 0.00 O ATOM 540 CB ASP A 52 -11.987 -0.536 -0.544 1.00 0.00 C ATOM 541 CG ASP A 52 -13.069 -0.308 -1.612 1.00 0.00 C ATOM 542 OD1 ASP A 52 -14.257 -0.197 -1.240 1.00 0.00 O ATOM 543 OD2 ASP A 52 -12.654 -0.099 -2.772 1.00 0.00 O ATOM 0 H ASP A 52 -11.263 2.105 -0.270 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.067 0.241 1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.004 -0.410 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.045 -1.565 -0.189 1.00 0.00 H new ATOM 545 N TYR A 53 -10.004 0.998 1.761 1.00 0.00 N ATOM 546 CA TYR A 53 -8.841 0.829 2.657 1.00 0.00 C ATOM 547 C TYR A 53 -8.791 1.937 3.721 1.00 0.00 C ATOM 548 O TYR A 53 -8.646 3.123 3.411 1.00 0.00 O ATOM 549 CB TYR A 53 -7.544 0.865 1.838 1.00 0.00 C ATOM 550 CG TYR A 53 -6.686 -0.403 1.929 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.588 -1.150 3.096 1.00 0.00 C ATOM 552 CD2 TYR A 53 -6.021 -0.837 0.790 1.00 0.00 C ATOM 553 CE1 TYR A 53 -5.894 -2.352 3.101 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.303 -2.024 0.806 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.293 -2.818 1.942 1.00 0.00 C ATOM 556 OH TYR A 53 -5.076 -4.150 1.798 1.00 0.00 O ATOM 0 H TYR A 53 -9.950 1.833 1.178 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.943 -0.133 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.797 1.041 0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.947 1.715 2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.054 -0.794 4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.063 -0.247 -0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.822 -2.927 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.750 -2.330 -0.070 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.648 -4.320 0.933 1.00 0.00 H new ATOM 563 N ILE A 54 -8.803 1.500 4.975 1.00 0.00 N ATOM 564 CA ILE A 54 -8.797 2.413 6.136 1.00 0.00 C ATOM 565 C ILE A 54 -7.479 2.386 6.930 1.00 0.00 C ATOM 566 O ILE A 54 -7.028 1.355 7.431 1.00 0.00 O ATOM 567 CB ILE A 54 -10.073 2.260 6.998 1.00 0.00 C ATOM 568 CG1 ILE A 54 -10.126 3.243 8.178 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.324 0.829 7.484 1.00 0.00 C ATOM 570 CD1 ILE A 54 -10.299 4.700 7.732 1.00 0.00 C ATOM 0 H ILE A 54 -8.817 0.511 5.226 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.835 3.428 5.740 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.884 2.513 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.951 2.969 8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.210 3.153 8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.235 0.802 8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.433 0.167 6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.482 0.498 8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.330 5.348 8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.461 4.988 7.097 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.229 4.801 7.173 1.00 0.00 H new ATOM 572 N CYS A 55 -6.818 3.535 6.823 1.00 0.00 N ATOM 573 CA CYS A 55 -5.537 3.873 7.476 1.00 0.00 C ATOM 574 C CYS A 55 -5.650 3.977 9.004 1.00 0.00 C ATOM 575 O CYS A 55 -6.276 4.898 9.520 1.00 0.00 O ATOM 576 CB CYS A 55 -4.971 5.163 6.860 1.00 0.00 C ATOM 577 SG CYS A 55 -6.150 6.564 6.733 1.00 0.00 S ATOM 0 H CYS A 55 -7.172 4.302 6.251 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.844 3.052 7.292 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.116 5.484 7.455 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.597 4.934 5.862 1.00 0.00 H new ATOM 579 N LYS A 56 -5.114 2.964 9.685 1.00 0.00 N ATOM 580 CA LYS A 56 -5.118 2.913 11.162 1.00 0.00 C ATOM 581 C LYS A 56 -4.212 4.004 11.763 1.00 0.00 C ATOM 582 O LYS A 56 -4.704 4.897 12.447 1.00 0.00 O ATOM 583 CB LYS A 56 -4.758 1.506 11.664 1.00 0.00 C ATOM 584 CG LYS A 56 -5.181 1.327 13.127 1.00 0.00 C ATOM 585 CD LYS A 56 -5.565 -0.119 13.459 1.00 0.00 C ATOM 586 CE LYS A 56 -4.547 -0.843 14.344 1.00 0.00 C ATOM 587 NZ LYS A 56 -3.344 -1.258 13.610 1.00 0.00 N ATOM 0 H LYS A 56 -4.668 2.161 9.243 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.130 3.125 11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.250 0.757 11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.684 1.344 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.365 1.640 13.778 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.027 1.981 13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.534 -0.122 13.959 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.685 -0.676 12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.257 -0.188 15.166 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.017 -1.721 14.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.691 -1.742 14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.612 -1.905 12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.876 -0.420 13.209 1.00 0.00 H new ATOM 592 N TYR A 57 -2.923 3.951 11.415 1.00 0.00 N ATOM 593 CA TYR A 57 -1.895 4.908 11.885 1.00 0.00 C ATOM 594 C TYR A 57 -0.506 4.659 11.280 1.00 0.00 C ATOM 595 O TYR A 57 -0.205 3.566 10.793 1.00 0.00 O ATOM 596 CB TYR A 57 -1.770 4.930 13.422 1.00 0.00 C ATOM 597 CG TYR A 57 -1.144 3.705 14.105 1.00 0.00 C ATOM 598 CD1 TYR A 57 -1.405 2.392 13.715 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.345 3.935 15.216 1.00 0.00 C ATOM 600 CE1 TYR A 57 -0.870 1.329 14.430 1.00 0.00 C ATOM 601 CE2 TYR A 57 0.189 2.876 15.934 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.073 1.573 15.541 1.00 0.00 C ATOM 603 OH TYR A 57 0.392 0.541 16.291 1.00 0.00 O ATOM 0 H TYR A 57 -2.551 3.236 10.791 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.251 5.878 11.537 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.182 5.805 13.698 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.768 5.072 13.838 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.026 2.201 12.853 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.137 4.949 15.524 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.073 0.314 14.123 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.808 3.066 16.798 1.00 0.00 H new ATOM 0 HH TYR A 57 0.934 0.891 17.029 1.00 0.00 H new ATOM 610 N ILE A 58 0.242 5.757 11.179 1.00 0.00 N ATOM 611 CA ILE A 58 1.679 5.745 10.839 1.00 0.00 C ATOM 612 C ILE A 58 2.492 5.162 12.011 1.00 0.00 C ATOM 613 O ILE A 58 2.163 5.346 13.182 1.00 0.00 O ATOM 614 CB ILE A 58 2.163 7.159 10.434 1.00 0.00 C ATOM 615 CG1 ILE A 58 3.521 7.152 9.721 1.00 0.00 C ATOM 616 CG2 ILE A 58 2.176 8.171 11.590 1.00 0.00 C ATOM 617 CD1 ILE A 58 3.408 6.771 8.243 1.00 0.00 C ATOM 0 H ILE A 58 -0.130 6.695 11.331 1.00 0.00 H new ATOM 0 HA ILE A 58 1.837 5.101 9.974 1.00 0.00 H new ATOM 0 HB ILE A 58 1.409 7.495 9.722 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.976 8.139 9.804 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.187 6.451 10.223 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.527 9.136 11.225 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.168 8.279 11.990 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.842 7.817 12.376 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.398 6.782 7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.980 5.772 8.156 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.765 7.487 7.731 1.00 0.00 H new ATOM 619 N ASN A 59 3.542 4.456 11.633 1.00 0.00 N ATOM 620 CA ASN A 59 4.511 3.825 12.547 1.00 0.00 C ATOM 621 C ASN A 59 5.931 4.198 12.086 1.00 0.00 C ATOM 622 O ASN A 59 6.105 4.931 11.110 1.00 0.00 O ATOM 623 CB ASN A 59 4.335 2.298 12.486 1.00 0.00 C ATOM 624 CG ASN A 59 2.898 1.842 12.745 1.00 0.00 C ATOM 625 OD1 ASN A 59 2.496 1.509 13.847 1.00 0.00 O ATOM 626 ND2 ASN A 59 2.137 1.719 11.682 1.00 0.00 N ATOM 0 H ASN A 59 3.762 4.293 10.650 1.00 0.00 H new ATOM 0 HA ASN A 59 4.350 4.168 13.569 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.650 1.942 11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.994 1.834 13.220 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.194 1.340 11.771 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.489 2.002 10.767 1.00 0.00 H new ATOM 630 N THR A 60 6.920 3.670 12.806 1.00 0.00 N ATOM 631 CA THR A 60 8.347 3.716 12.409 1.00 0.00 C ATOM 632 C THR A 60 8.577 3.050 11.031 1.00 0.00 C ATOM 633 O THR A 60 8.121 3.587 10.022 1.00 0.00 O ATOM 634 CB THR A 60 9.268 3.216 13.551 1.00 0.00 C ATOM 635 OG1 THR A 60 10.632 3.175 13.116 1.00 0.00 O ATOM 636 CG2 THR A 60 8.853 1.866 14.159 1.00 0.00 C ATOM 0 H THR A 60 6.763 3.191 13.693 1.00 0.00 H new ATOM 0 HA THR A 60 8.639 4.755 12.257 1.00 0.00 H new ATOM 0 HB THR A 60 9.158 3.944 14.355 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.200 2.859 13.849 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.552 1.593 14.950 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.849 1.947 14.575 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.864 1.099 13.384 1.00 0.00 H new ATOM 639 N GLU A 61 9.297 1.926 10.967 1.00 0.00 N ATOM 640 CA GLU A 61 9.609 1.182 9.722 1.00 0.00 C ATOM 641 C GLU A 61 10.101 2.139 8.605 1.00 0.00 C ATOM 642 O GLU A 61 9.529 2.224 7.522 1.00 0.00 O ATOM 643 CB GLU A 61 8.351 0.376 9.369 1.00 0.00 C ATOM 644 CG GLU A 61 8.585 -1.109 9.067 1.00 0.00 C ATOM 645 CD GLU A 61 9.160 -1.450 7.685 1.00 0.00 C ATOM 646 OE1 GLU A 61 9.406 -0.524 6.882 1.00 0.00 O ATOM 647 OE2 GLU A 61 9.355 -2.664 7.466 1.00 0.00 O ATOM 0 H GLU A 61 9.695 1.488 11.798 1.00 0.00 H new ATOM 0 HA GLU A 61 10.441 0.489 9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.646 0.454 10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.877 0.836 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.260 -1.508 9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.636 -1.633 9.179 1.00 0.00 H new ATOM 649 N HIS A 62 10.938 3.077 9.063 1.00 0.00 N ATOM 650 CA HIS A 62 11.533 4.203 8.306 1.00 0.00 C ATOM 651 C HIS A 62 10.594 5.215 7.602 1.00 0.00 C ATOM 652 O HIS A 62 11.109 6.088 6.907 1.00 0.00 O ATOM 653 CB HIS A 62 12.616 3.687 7.345 1.00 0.00 C ATOM 654 CG HIS A 62 14.043 3.664 7.902 1.00 0.00 C ATOM 655 ND1 HIS A 62 14.456 4.058 9.105 1.00 0.00 N ATOM 656 CD2 HIS A 62 15.119 3.321 7.200 1.00 0.00 C ATOM 657 CE1 HIS A 62 15.780 3.949 9.146 1.00 0.00 C ATOM 658 NE2 HIS A 62 16.191 3.494 7.967 1.00 0.00 N ATOM 0 H HIS A 62 11.243 3.077 10.036 1.00 0.00 H new ATOM 0 HA HIS A 62 11.955 4.820 9.099 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.350 2.676 7.036 1.00 0.00 H new ATOM 0 HB3 HIS A 62 12.606 4.307 6.449 1.00 0.00 H new ATOM 0 HD2 HIS A 62 15.122 2.963 6.181 1.00 0.00 H new ATOM 0 HE1 HIS A 62 16.411 4.188 9.989 1.00 0.00 H new ATOM 0 HE2 HIS A 62 17.158 3.310 7.698 1.00 0.00 H new ATOM 661 N LYS A 63 9.321 5.231 8.024 1.00 0.00 N ATOM 662 CA LYS A 63 8.156 6.077 7.625 1.00 0.00 C ATOM 663 C LYS A 63 6.999 5.304 6.945 1.00 0.00 C ATOM 664 O LYS A 63 6.453 5.703 5.914 1.00 0.00 O ATOM 665 CB LYS A 63 8.478 7.374 6.855 1.00 0.00 C ATOM 666 CG LYS A 63 8.859 8.549 7.764 1.00 0.00 C ATOM 667 CD LYS A 63 10.307 9.033 7.597 1.00 0.00 C ATOM 668 CE LYS A 63 10.590 9.698 6.245 1.00 0.00 C ATOM 669 NZ LYS A 63 12.002 10.100 6.153 1.00 0.00 N ATOM 0 H LYS A 63 9.034 4.570 8.746 1.00 0.00 H new ATOM 0 HA LYS A 63 7.804 6.404 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.297 7.181 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.612 7.655 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.185 9.382 7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.704 8.255 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.537 9.741 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.980 8.184 7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.349 9.008 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.949 10.571 6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.176 10.549 5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.221 10.775 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.609 9.261 6.250 1.00 0.00 H new ATOM 674 N GLN A 64 6.487 4.310 7.671 1.00 0.00 N ATOM 675 CA GLN A 64 5.477 3.342 7.182 1.00 0.00 C ATOM 676 C GLN A 64 4.176 3.350 8.005 1.00 0.00 C ATOM 677 O GLN A 64 4.228 3.358 9.233 1.00 0.00 O ATOM 678 CB GLN A 64 6.150 1.966 7.233 1.00 0.00 C ATOM 679 CG GLN A 64 5.281 0.731 6.944 1.00 0.00 C ATOM 680 CD GLN A 64 4.938 -0.109 8.181 1.00 0.00 C ATOM 681 OE1 GLN A 64 5.092 -1.320 8.191 1.00 0.00 O ATOM 682 NE2 GLN A 64 4.556 0.505 9.282 1.00 0.00 N ATOM 0 H GLN A 64 6.762 4.143 8.639 1.00 0.00 H new ATOM 0 HA GLN A 64 5.167 3.611 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.974 1.970 6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.587 1.843 8.224 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.354 1.057 6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.799 0.098 6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.425 1.517 9.283 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.391 -0.031 10.134 1.00 0.00 H new ATOM 686 N LEU A 65 3.063 3.054 7.336 1.00 0.00 N ATOM 687 CA LEU A 65 1.732 2.939 7.975 1.00 0.00 C ATOM 688 C LEU A 65 1.077 1.551 7.808 1.00 0.00 C ATOM 689 O LEU A 65 1.403 0.795 6.892 1.00 0.00 O ATOM 690 CB LEU A 65 0.870 4.090 7.433 1.00 0.00 C ATOM 691 CG LEU A 65 -0.616 4.138 7.809 1.00 0.00 C ATOM 692 CD1 LEU A 65 -1.096 5.585 7.866 1.00 0.00 C ATOM 693 CD2 LEU A 65 -1.448 3.435 6.742 1.00 0.00 C ATOM 0 H LEU A 65 3.048 2.884 6.330 1.00 0.00 H new ATOM 0 HA LEU A 65 1.837 3.027 9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.324 5.025 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.935 4.068 6.345 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.732 3.651 8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.152 5.608 8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.520 6.130 8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.959 6.053 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.502 3.474 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.305 3.933 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.133 2.395 6.661 1.00 0.00 H new ATOM 695 N THR A 66 0.202 1.247 8.768 1.00 0.00 N ATOM 696 CA THR A 66 -0.692 0.064 8.768 1.00 0.00 C ATOM 697 C THR A 66 -2.142 0.451 8.438 1.00 0.00 C ATOM 698 O THR A 66 -2.727 1.321 9.088 1.00 0.00 O ATOM 699 CB THR A 66 -0.722 -0.676 10.120 1.00 0.00 C ATOM 700 OG1 THR A 66 -0.294 0.142 11.217 1.00 0.00 O ATOM 701 CG2 THR A 66 0.053 -1.988 10.067 1.00 0.00 C ATOM 0 H THR A 66 0.084 1.829 9.597 1.00 0.00 H new ATOM 0 HA THR A 66 -0.276 -0.593 8.004 1.00 0.00 H new ATOM 0 HB THR A 66 -1.769 -0.917 10.306 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.335 -0.377 12.047 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.007 -2.478 11.040 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.386 -2.640 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.093 -1.786 9.812 1.00 0.00 H new ATOM 704 N LEU A 67 -2.655 -0.126 7.352 1.00 0.00 N ATOM 705 CA LEU A 67 -4.067 0.035 6.934 1.00 0.00 C ATOM 706 C LEU A 67 -4.802 -1.273 6.605 1.00 0.00 C ATOM 707 O LEU A 67 -4.245 -2.169 5.978 1.00 0.00 O ATOM 708 CB LEU A 67 -4.262 1.085 5.822 1.00 0.00 C ATOM 709 CG LEU A 67 -3.268 1.169 4.655 1.00 0.00 C ATOM 710 CD1 LEU A 67 -3.345 -0.029 3.719 1.00 0.00 C ATOM 711 CD2 LEU A 67 -3.550 2.436 3.849 1.00 0.00 C ATOM 0 H LEU A 67 -2.110 -0.722 6.729 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.547 0.420 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.251 0.921 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.281 2.064 6.302 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.268 1.183 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.618 0.090 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.125 -0.940 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.347 -0.096 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.848 2.503 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.568 2.402 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.436 3.309 4.492 1.00 0.00 H new ATOM 713 N TYR A 68 -6.088 -1.301 6.941 1.00 0.00 N ATOM 714 CA TYR A 68 -6.939 -2.503 6.807 1.00 0.00 C ATOM 715 C TYR A 68 -8.117 -2.330 5.841 1.00 0.00 C ATOM 716 O TYR A 68 -8.728 -1.266 5.744 1.00 0.00 O ATOM 717 CB TYR A 68 -7.382 -3.043 8.178 1.00 0.00 C ATOM 718 CG TYR A 68 -8.001 -2.012 9.126 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.219 -0.985 9.642 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.346 -2.094 9.467 1.00 0.00 C ATOM 721 CE1 TYR A 68 -7.796 -0.006 10.434 1.00 0.00 C ATOM 722 CE2 TYR A 68 -9.913 -1.140 10.303 1.00 0.00 C ATOM 723 CZ TYR A 68 -9.136 -0.086 10.771 1.00 0.00 C ATOM 724 OH TYR A 68 -9.683 0.912 11.509 1.00 0.00 O ATOM 0 H TYR A 68 -6.582 -0.492 7.317 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.306 -3.260 6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.105 -3.843 8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.517 -3.489 8.669 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.162 -0.950 9.425 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.952 -2.901 9.081 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.199 0.821 10.789 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.952 -1.217 10.588 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.631 0.720 11.667 1.00 0.00 H new ATOM 731 N ASN A 69 -8.214 -3.319 4.959 1.00 0.00 N ATOM 732 CA ASN A 69 -9.191 -3.360 3.857 1.00 0.00 C ATOM 733 C ASN A 69 -10.560 -3.882 4.309 1.00 0.00 C ATOM 734 O ASN A 69 -10.769 -5.084 4.494 1.00 0.00 O ATOM 735 CB ASN A 69 -8.641 -4.208 2.705 1.00 0.00 C ATOM 736 CG ASN A 69 -9.229 -3.787 1.356 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.377 -3.382 1.230 1.00 0.00 O ATOM 738 ND2 ASN A 69 -8.448 -3.953 0.313 1.00 0.00 N ATOM 0 H ASN A 69 -7.605 -4.137 4.984 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.344 -2.337 3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.555 -4.116 2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.867 -5.259 2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.795 -3.743 -0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.494 -4.292 0.439 1.00 0.00 H new ATOM 742 N LYS A 70 -11.489 -2.934 4.340 1.00 0.00 N ATOM 743 CA LYS A 70 -12.894 -3.165 4.724 1.00 0.00 C ATOM 744 C LYS A 70 -13.795 -3.690 3.586 1.00 0.00 C ATOM 745 O LYS A 70 -15.010 -3.788 3.745 1.00 0.00 O ATOM 746 CB LYS A 70 -13.455 -1.865 5.307 1.00 0.00 C ATOM 747 CG LYS A 70 -13.569 -1.902 6.837 1.00 0.00 C ATOM 748 CD LYS A 70 -14.938 -2.397 7.327 1.00 0.00 C ATOM 749 CE LYS A 70 -15.031 -3.884 7.703 1.00 0.00 C ATOM 750 NZ LYS A 70 -14.907 -4.800 6.558 1.00 0.00 N ATOM 0 H LYS A 70 -11.293 -1.963 4.096 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.897 -3.964 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.813 -1.034 5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.439 -1.674 4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.790 -2.550 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.387 -0.903 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.224 -1.806 8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.673 -2.195 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.249 -4.115 8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.986 -4.064 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.580 -5.585 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.114 -4.286 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.939 -5.177 6.519 1.00 0.00 H new ATOM 755 N ASN A 71 -13.163 -4.153 2.507 1.00 0.00 N ATOM 756 CA ASN A 71 -13.890 -4.748 1.369 1.00 0.00 C ATOM 757 C ASN A 71 -13.780 -6.279 1.259 1.00 0.00 C ATOM 758 O ASN A 71 -14.648 -6.904 0.651 1.00 0.00 O ATOM 759 CB ASN A 71 -13.402 -4.101 0.070 1.00 0.00 C ATOM 760 CG ASN A 71 -14.512 -3.864 -0.963 1.00 0.00 C ATOM 761 OD1 ASN A 71 -14.416 -2.973 -1.791 1.00 0.00 O ATOM 762 ND2 ASN A 71 -15.536 -4.691 -0.993 1.00 0.00 N ATOM 0 H ASN A 71 -12.150 -4.131 2.391 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.946 -4.546 1.547 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.929 -3.148 0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.635 -4.735 -0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -16.254 -4.588 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -15.612 -5.434 -0.299 1.00 0.00 H new ATOM 766 N ASN A 72 -12.749 -6.862 1.871 1.00 0.00 N ATOM 767 CA ASN A 72 -12.487 -8.312 1.753 1.00 0.00 C ATOM 768 C ASN A 72 -12.813 -9.042 3.072 1.00 0.00 C ATOM 769 O ASN A 72 -13.966 -9.385 3.314 1.00 0.00 O ATOM 770 CB ASN A 72 -11.043 -8.582 1.298 1.00 0.00 C ATOM 771 CG ASN A 72 -10.597 -7.858 0.027 1.00 0.00 C ATOM 772 OD1 ASN A 72 -10.788 -8.305 -1.092 1.00 0.00 O ATOM 773 ND2 ASN A 72 -9.855 -6.786 0.191 1.00 0.00 N ATOM 0 H ASN A 72 -12.078 -6.361 2.454 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.149 -8.711 0.984 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.369 -8.302 2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.926 -9.654 1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.438 -6.326 -0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.697 -6.414 1.127 1.00 0.00 H new ATOM 777 N SER A 73 -11.805 -9.225 3.930 1.00 0.00 N ATOM 778 CA SER A 73 -11.952 -9.862 5.256 1.00 0.00 C ATOM 779 C SER A 73 -10.770 -9.533 6.183 1.00 0.00 C ATOM 780 O SER A 73 -9.834 -10.305 6.391 1.00 0.00 O ATOM 781 CB SER A 73 -12.150 -11.382 5.115 1.00 0.00 C ATOM 782 OG SER A 73 -11.161 -11.954 4.248 1.00 0.00 O ATOM 0 H SER A 73 -10.849 -8.934 3.727 1.00 0.00 H new ATOM 0 HA SER A 73 -12.846 -9.448 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.093 -11.852 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.145 -11.587 4.721 1.00 0.00 H new ATOM 0 HG SER A 73 -10.269 -11.667 4.535 1.00 0.00 H new ATOM 785 N SER A 74 -10.849 -8.335 6.761 1.00 0.00 N ATOM 786 CA SER A 74 -9.888 -7.805 7.763 1.00 0.00 C ATOM 787 C SER A 74 -8.401 -7.795 7.336 1.00 0.00 C ATOM 788 O SER A 74 -7.500 -8.099 8.120 1.00 0.00 O ATOM 789 CB SER A 74 -10.089 -8.532 9.108 1.00 0.00 C ATOM 790 OG SER A 74 -9.730 -9.918 9.016 1.00 0.00 O ATOM 0 H SER A 74 -11.600 -7.678 6.548 1.00 0.00 H new ATOM 0 HA SER A 74 -10.125 -6.746 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.486 -8.049 9.877 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.130 -8.445 9.418 1.00 0.00 H new ATOM 0 HG SER A 74 -9.407 -10.113 8.111 1.00 0.00 H new ATOM 793 N ILE A 75 -8.152 -7.291 6.127 1.00 0.00 N ATOM 794 CA ILE A 75 -6.797 -7.317 5.527 1.00 0.00 C ATOM 795 C ILE A 75 -6.004 -6.048 5.892 1.00 0.00 C ATOM 796 O ILE A 75 -6.124 -5.010 5.248 1.00 0.00 O ATOM 797 CB ILE A 75 -6.819 -7.586 4.005 1.00 0.00 C ATOM 798 CG1 ILE A 75 -7.596 -8.884 3.705 1.00 0.00 C ATOM 799 CG2 ILE A 75 -5.382 -7.656 3.455 1.00 0.00 C ATOM 800 CD1 ILE A 75 -7.713 -9.282 2.227 1.00 0.00 C ATOM 0 H ILE A 75 -8.862 -6.858 5.537 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.271 -8.166 5.963 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.331 -6.763 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.116 -9.702 4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.602 -8.782 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.412 -7.846 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.874 -6.710 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.841 -8.462 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.280 -10.209 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.226 -8.493 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.717 -9.427 1.809 1.00 0.00 H new ATOM 802 N VAL A 76 -5.108 -6.231 6.848 1.00 0.00 N ATOM 803 CA VAL A 76 -4.232 -5.177 7.399 1.00 0.00 C ATOM 804 C VAL A 76 -2.879 -5.270 6.672 1.00 0.00 C ATOM 805 O VAL A 76 -2.131 -6.225 6.860 1.00 0.00 O ATOM 806 CB VAL A 76 -3.998 -5.345 8.917 1.00 0.00 C ATOM 807 CG1 VAL A 76 -3.346 -4.089 9.504 1.00 0.00 C ATOM 808 CG2 VAL A 76 -5.259 -5.690 9.717 1.00 0.00 C ATOM 0 H VAL A 76 -4.955 -7.140 7.284 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.712 -4.210 7.249 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.330 -6.201 9.011 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.189 -4.227 10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.387 -3.915 9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.997 -3.231 9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.005 -5.790 10.772 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.996 -4.896 9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.675 -6.630 9.354 1.00 0.00 H new ATOM 810 N ILE A 77 -2.618 -4.315 5.790 1.00 0.00 N ATOM 811 CA ILE A 77 -1.310 -4.246 5.106 1.00 0.00 C ATOM 812 C ILE A 77 -0.476 -3.059 5.610 1.00 0.00 C ATOM 813 O ILE A 77 -0.989 -1.992 5.952 1.00 0.00 O ATOM 814 CB ILE A 77 -1.358 -4.318 3.562 1.00 0.00 C ATOM 815 CG1 ILE A 77 -1.945 -3.070 2.897 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.109 -5.584 3.125 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.577 -2.925 1.413 1.00 0.00 C ATOM 0 H ILE A 77 -3.276 -3.582 5.526 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.803 -5.169 5.388 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.324 -4.364 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.031 -3.096 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.600 -2.187 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.141 -5.631 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.594 -6.464 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.126 -5.557 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.030 -2.018 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.493 -2.865 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.946 -3.789 0.860 1.00 0.00 H new ATOM 819 N GLU A 78 0.809 -3.356 5.747 1.00 0.00 N ATOM 820 CA GLU A 78 1.839 -2.426 6.247 1.00 0.00 C ATOM 821 C GLU A 78 2.928 -2.200 5.196 1.00 0.00 C ATOM 822 O GLU A 78 3.586 -3.142 4.748 1.00 0.00 O ATOM 823 CB GLU A 78 2.396 -2.878 7.604 1.00 0.00 C ATOM 824 CG GLU A 78 2.871 -4.333 7.675 1.00 0.00 C ATOM 825 CD GLU A 78 3.159 -4.796 9.106 1.00 0.00 C ATOM 826 OE1 GLU A 78 2.292 -4.568 9.979 1.00 0.00 O ATOM 827 OE2 GLU A 78 4.202 -5.464 9.275 1.00 0.00 O ATOM 0 H GLU A 78 1.185 -4.274 5.509 1.00 0.00 H new ATOM 0 HA GLU A 78 1.370 -1.458 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.231 -2.229 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.625 -2.729 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.112 -4.980 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.773 -4.445 7.074 1.00 0.00 H new ATOM 829 N ILE A 79 2.850 -0.996 4.639 1.00 0.00 N ATOM 830 CA ILE A 79 3.642 -0.595 3.458 1.00 0.00 C ATOM 831 C ILE A 79 4.487 0.666 3.695 1.00 0.00 C ATOM 832 O ILE A 79 3.987 1.683 4.184 1.00 0.00 O ATOM 833 CB ILE A 79 2.754 -0.460 2.201 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.580 0.524 2.377 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.265 -1.852 1.784 1.00 0.00 C ATOM 836 CD1 ILE A 79 0.875 0.902 1.067 1.00 0.00 C ATOM 0 H ILE A 79 2.236 -0.260 4.988 1.00 0.00 H new ATOM 0 HA ILE A 79 4.353 -1.402 3.281 1.00 0.00 H new ATOM 0 HB ILE A 79 3.365 -0.028 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.850 0.083 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.950 1.432 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.637 -1.766 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.122 -2.487 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.687 -2.293 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.062 1.597 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.589 1.374 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.472 0.004 0.598 1.00 0.00 H new ATOM 838 N PHE A 80 5.784 0.533 3.423 1.00 0.00 N ATOM 839 CA PHE A 80 6.733 1.659 3.543 1.00 0.00 C ATOM 840 C PHE A 80 7.081 2.210 2.163 1.00 0.00 C ATOM 841 O PHE A 80 7.628 1.507 1.318 1.00 0.00 O ATOM 842 CB PHE A 80 8.023 1.322 4.307 1.00 0.00 C ATOM 843 CG PHE A 80 8.992 2.509 4.476 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.551 3.831 4.478 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.357 2.256 4.473 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.451 4.885 4.420 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.261 3.311 4.439 1.00 0.00 C ATOM 848 CZ PHE A 80 10.812 4.623 4.412 1.00 0.00 C ATOM 0 H PHE A 80 6.211 -0.341 3.117 1.00 0.00 H new ATOM 0 HA PHE A 80 6.216 2.413 4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.758 0.942 5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.541 0.518 3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.492 4.038 4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.717 1.238 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.093 5.903 4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.322 3.108 4.434 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.520 5.438 4.385 1.00 0.00 H new ATOM 855 N ILE A 81 6.880 3.520 2.094 1.00 0.00 N ATOM 856 CA ILE A 81 6.914 4.326 0.861 1.00 0.00 C ATOM 857 C ILE A 81 8.029 5.382 1.041 1.00 0.00 C ATOM 858 O ILE A 81 7.732 6.489 1.486 1.00 0.00 O ATOM 859 CB ILE A 81 5.538 5.017 0.722 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.323 4.176 1.149 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.351 5.609 -0.673 1.00 0.00 C ATOM 862 CD1 ILE A 81 4.145 2.782 0.544 1.00 0.00 C ATOM 0 H ILE A 81 6.680 4.080 2.923 1.00 0.00 H new ATOM 0 HA ILE A 81 7.112 3.726 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 81 5.568 5.826 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.363 4.063 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.426 4.752 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.374 6.087 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.130 6.348 -0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.416 4.815 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.243 2.323 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.057 2.864 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.009 2.165 0.792 1.00 0.00 H new ATOM 864 N PRO A 82 9.305 5.020 0.843 1.00 0.00 N ATOM 865 CA PRO A 82 10.452 5.912 1.100 1.00 0.00 C ATOM 866 C PRO A 82 10.602 6.967 -0.016 1.00 0.00 C ATOM 867 O PRO A 82 10.066 8.066 0.079 1.00 0.00 O ATOM 868 CB PRO A 82 11.675 4.979 1.215 1.00 0.00 C ATOM 869 CG PRO A 82 11.133 3.551 1.145 1.00 0.00 C ATOM 870 CD PRO A 82 9.773 3.679 0.470 1.00 0.00 C ATOM 0 HA PRO A 82 10.327 6.495 2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.384 5.166 0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.206 5.148 2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.798 2.904 0.573 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.041 3.115 2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.855 3.573 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.084 2.908 0.814 1.00 0.00 H new ATOM 871 N ASN A 83 11.414 6.586 -1.000 1.00 0.00 N ATOM 872 CA ASN A 83 11.844 7.233 -2.254 1.00 0.00 C ATOM 873 C ASN A 83 13.071 6.414 -2.713 1.00 0.00 C ATOM 874 O ASN A 83 13.163 5.234 -2.365 1.00 0.00 O ATOM 875 CB ASN A 83 12.177 8.731 -2.104 1.00 0.00 C ATOM 876 CG ASN A 83 12.282 9.385 -3.491 1.00 0.00 C ATOM 877 OD1 ASN A 83 11.711 8.940 -4.475 1.00 0.00 O ATOM 878 ND2 ASN A 83 13.233 10.269 -3.670 1.00 0.00 N ATOM 0 H ASN A 83 11.859 5.671 -0.929 1.00 0.00 H new ATOM 0 HA ASN A 83 11.036 7.230 -2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.405 9.227 -1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.116 8.851 -1.564 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.480 10.569 -4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.726 10.657 -2.866 1.00 0.00 H new ATOM 882 N ASP A 84 13.955 6.996 -3.527 1.00 0.00 N ATOM 883 CA ASP A 84 15.242 6.396 -3.950 1.00 0.00 C ATOM 884 C ASP A 84 15.114 4.952 -4.474 1.00 0.00 C ATOM 885 O ASP A 84 16.010 4.121 -4.322 1.00 0.00 O ATOM 886 CB ASP A 84 16.265 6.505 -2.813 1.00 0.00 C ATOM 887 CG ASP A 84 17.513 7.239 -3.301 1.00 0.00 C ATOM 888 OD1 ASP A 84 17.488 8.488 -3.224 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.442 6.549 -3.770 1.00 0.00 O ATOM 0 H ASP A 84 13.800 7.922 -3.926 1.00 0.00 H new ATOM 0 HA ASP A 84 15.596 6.970 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.827 7.037 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.534 5.510 -2.458 1.00 0.00 H new ATOM 891 N ASN A 85 14.001 4.733 -5.172 1.00 0.00 N ATOM 892 CA ASN A 85 13.615 3.455 -5.804 1.00 0.00 C ATOM 893 C ASN A 85 13.452 2.296 -4.797 1.00 0.00 C ATOM 894 O ASN A 85 13.954 1.200 -5.019 1.00 0.00 O ATOM 895 CB ASN A 85 14.600 3.104 -6.939 1.00 0.00 C ATOM 896 CG ASN A 85 15.076 4.330 -7.727 1.00 0.00 C ATOM 897 OD1 ASN A 85 14.307 5.148 -8.212 1.00 0.00 O ATOM 898 ND2 ASN A 85 16.334 4.655 -7.539 1.00 0.00 N ATOM 0 H ASN A 85 13.309 5.467 -5.324 1.00 0.00 H new ATOM 0 HA ASN A 85 12.624 3.596 -6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.465 2.594 -6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 85 14.121 2.404 -7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.665 5.585 -7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.981 3.978 -7.135 1.00 0.00 H new ATOM 902 N LYS A 86 12.662 2.523 -3.749 1.00 0.00 N ATOM 903 CA LYS A 86 12.412 1.535 -2.671 1.00 0.00 C ATOM 904 C LYS A 86 10.948 1.526 -2.189 1.00 0.00 C ATOM 905 O LYS A 86 10.294 2.565 -2.234 1.00 0.00 O ATOM 906 CB LYS A 86 13.309 1.881 -1.473 1.00 0.00 C ATOM 907 CG LYS A 86 14.797 1.578 -1.676 1.00 0.00 C ATOM 908 CD LYS A 86 15.599 2.106 -0.481 1.00 0.00 C ATOM 909 CE LYS A 86 16.874 1.296 -0.215 1.00 0.00 C ATOM 910 NZ LYS A 86 17.924 1.471 -1.231 1.00 0.00 N ATOM 0 H LYS A 86 12.167 3.404 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 86 12.632 0.548 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.196 2.941 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.956 1.330 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.948 0.504 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.150 2.042 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.867 3.147 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.970 2.088 0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.275 1.580 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.614 0.239 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.750 0.892 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.562 1.173 -2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 18.203 2.472 -1.273 1.00 0.00 H new ATOM 915 N ILE A 87 10.449 0.337 -1.836 1.00 0.00 N ATOM 916 CA ILE A 87 9.159 0.104 -1.126 1.00 0.00 C ATOM 917 C ILE A 87 9.090 -1.341 -0.581 1.00 0.00 C ATOM 918 O ILE A 87 9.612 -2.275 -1.193 1.00 0.00 O ATOM 919 CB ILE A 87 7.924 0.402 -2.019 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.588 0.315 -1.253 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.891 -0.528 -3.231 1.00 0.00 C ATOM 922 CD1 ILE A 87 5.319 0.664 -2.039 1.00 0.00 C ATOM 0 H ILE A 87 10.942 -0.533 -2.039 1.00 0.00 H new ATOM 0 HA ILE A 87 9.129 0.805 -0.291 1.00 0.00 H new ATOM 0 HB ILE A 87 8.035 1.433 -2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.482 -0.699 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.647 0.978 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.017 -0.300 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.795 -0.385 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.838 -1.563 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.450 0.564 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.386 1.690 -2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.218 -0.014 -2.887 1.00 0.00 H new ATOM 924 N LEU A 88 8.394 -1.493 0.542 1.00 0.00 N ATOM 925 CA LEU A 88 8.031 -2.817 1.095 1.00 0.00 C ATOM 926 C LEU A 88 6.532 -2.965 1.403 1.00 0.00 C ATOM 927 O LEU A 88 5.890 -2.014 1.851 1.00 0.00 O ATOM 928 CB LEU A 88 8.914 -3.161 2.306 1.00 0.00 C ATOM 929 CG LEU A 88 8.871 -2.149 3.458 1.00 0.00 C ATOM 930 CD1 LEU A 88 7.796 -2.510 4.488 1.00 0.00 C ATOM 931 CD2 LEU A 88 10.256 -2.036 4.095 1.00 0.00 C ATOM 0 H LEU A 88 8.060 -0.709 1.103 1.00 0.00 H new ATOM 0 HA LEU A 88 8.229 -3.549 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.612 -4.136 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.945 -3.257 1.967 1.00 0.00 H new ATOM 0 HG LEU A 88 8.595 -1.174 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.796 -1.770 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.819 -2.522 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.007 -3.495 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.223 -1.316 4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.560 -3.009 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.974 -1.701 3.347 1.00 0.00 H new ATOM 933 N LEU A 89 6.010 -4.150 1.088 1.00 0.00 N ATOM 934 CA LEU A 89 4.611 -4.557 1.356 1.00 0.00 C ATOM 935 C LEU A 89 4.503 -5.848 2.183 1.00 0.00 C ATOM 936 O LEU A 89 5.073 -6.886 1.841 1.00 0.00 O ATOM 937 CB LEU A 89 3.863 -4.695 0.020 1.00 0.00 C ATOM 938 CG LEU A 89 2.400 -5.154 0.055 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.604 -4.403 -1.014 1.00 0.00 C ATOM 940 CD2 LEU A 89 2.314 -6.650 -0.256 1.00 0.00 C ATOM 0 H LEU A 89 6.554 -4.880 0.627 1.00 0.00 H new ATOM 0 HA LEU A 89 4.150 -3.779 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.897 -3.728 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.418 -5.397 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 89 1.995 -4.953 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.564 -4.729 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.653 -3.332 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.027 -4.612 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.272 -6.968 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.726 -6.840 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.883 -7.209 0.487 1.00 0.00 H new ATOM 942 N THR A 90 3.651 -5.747 3.200 1.00 0.00 N ATOM 943 CA THR A 90 3.273 -6.884 4.069 1.00 0.00 C ATOM 944 C THR A 90 1.742 -6.921 4.229 1.00 0.00 C ATOM 945 O THR A 90 1.139 -5.894 4.525 1.00 0.00 O ATOM 946 CB THR A 90 3.940 -6.747 5.449 1.00 0.00 C ATOM 947 OG1 THR A 90 5.308 -6.355 5.296 1.00 0.00 O ATOM 948 CG2 THR A 90 3.896 -8.059 6.240 1.00 0.00 C ATOM 0 H THR A 90 3.194 -4.872 3.455 1.00 0.00 H new ATOM 0 HA THR A 90 3.613 -7.812 3.609 1.00 0.00 H new ATOM 0 HB THR A 90 3.383 -5.989 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.724 -6.269 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.378 -7.917 7.207 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.859 -8.358 6.392 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.420 -8.837 5.684 1.00 0.00 H new ATOM 951 N ILE A 91 1.199 -8.138 4.244 1.00 0.00 N ATOM 952 CA ILE A 91 -0.247 -8.460 4.312 1.00 0.00 C ATOM 953 C ILE A 91 -0.493 -9.277 5.598 1.00 0.00 C ATOM 954 O ILE A 91 0.279 -10.173 5.936 1.00 0.00 O ATOM 955 CB ILE A 91 -0.675 -9.284 3.071 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.371 -8.544 1.756 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.168 -9.657 3.122 1.00 0.00 C ATOM 958 CD1 ILE A 91 -0.318 -9.455 0.523 1.00 0.00 C ATOM 0 H ILE A 91 1.777 -8.978 4.208 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.834 -7.542 4.326 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.085 -10.200 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.132 -7.780 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.584 -8.028 1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.429 -10.234 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.364 -10.253 4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.769 -8.748 3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.099 -8.857 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.462 -10.204 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.280 -9.952 0.396 1.00 0.00 H new ATOM 960 N MET A 92 -1.552 -8.891 6.299 1.00 0.00 N ATOM 961 CA MET A 92 -2.071 -9.549 7.516 1.00 0.00 C ATOM 962 C MET A 92 -3.604 -9.604 7.515 1.00 0.00 C ATOM 963 O MET A 92 -4.256 -8.785 6.872 1.00 0.00 O ATOM 964 CB MET A 92 -1.604 -8.774 8.753 1.00 0.00 C ATOM 965 CG MET A 92 -0.373 -9.400 9.415 1.00 0.00 C ATOM 966 SD MET A 92 -0.752 -10.926 10.355 1.00 0.00 S ATOM 967 CE MET A 92 -0.370 -12.196 9.165 1.00 0.00 C ATOM 0 H MET A 92 -2.104 -8.076 6.032 1.00 0.00 H new ATOM 0 HA MET A 92 -1.688 -10.569 7.535 1.00 0.00 H new ATOM 0 HB2 MET A 92 -1.375 -7.747 8.468 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.417 -8.730 9.477 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.367 -9.629 8.648 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.080 -8.671 10.087 1.00 0.00 H new ATOM 0 HE1 MET A 92 0.221 -12.977 9.643 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.296 -12.625 8.781 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.198 -11.764 8.341 1.00 0.00 H new ATOM 969 N ASN A 93 -4.152 -10.552 8.269 1.00 0.00 N ATOM 970 CA ASN A 93 -5.610 -10.696 8.448 1.00 0.00 C ATOM 971 C ASN A 93 -5.986 -10.865 9.923 1.00 0.00 C ATOM 972 O ASN A 93 -5.583 -11.837 10.561 1.00 0.00 O ATOM 973 CB ASN A 93 -6.132 -11.905 7.666 1.00 0.00 C ATOM 974 CG ASN A 93 -6.458 -11.640 6.196 1.00 0.00 C ATOM 975 OD1 ASN A 93 -5.928 -10.767 5.526 1.00 0.00 O ATOM 976 ND2 ASN A 93 -7.333 -12.459 5.656 1.00 0.00 N ATOM 0 H ASN A 93 -3.605 -11.247 8.777 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.068 -9.782 8.070 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.388 -12.700 7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.030 -12.276 8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.575 -12.369 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.770 -13.185 6.224 1.00 0.00 H new ATOM 980 N THR A 94 -6.840 -9.966 10.400 1.00 0.00 N ATOM 981 CA THR A 94 -7.392 -10.017 11.777 1.00 0.00 C ATOM 982 C THR A 94 -8.212 -11.305 12.019 1.00 0.00 C ATOM 983 O THR A 94 -8.366 -11.740 13.158 1.00 0.00 O ATOM 984 CB THR A 94 -8.255 -8.774 12.066 1.00 0.00 C ATOM 985 OG1 THR A 94 -7.650 -7.609 11.490 1.00 0.00 O ATOM 986 CG2 THR A 94 -8.436 -8.536 13.570 1.00 0.00 C ATOM 0 H THR A 94 -7.178 -9.174 9.853 1.00 0.00 H new ATOM 0 HA THR A 94 -6.546 -10.026 12.464 1.00 0.00 H new ATOM 0 HB THR A 94 -9.234 -8.956 11.623 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.207 -6.825 11.678 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.051 -7.650 13.727 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.925 -9.401 14.019 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.461 -8.388 14.035 1.00 0.00 H new ATOM 989 N GLU A 95 -8.800 -11.842 10.950 1.00 0.00 N ATOM 990 CA GLU A 95 -9.545 -13.118 10.986 1.00 0.00 C ATOM 991 C GLU A 95 -8.924 -14.245 10.118 1.00 0.00 C ATOM 992 O GLU A 95 -9.639 -15.018 9.481 1.00 0.00 O ATOM 993 CB GLU A 95 -10.993 -12.788 10.586 1.00 0.00 C ATOM 994 CG GLU A 95 -12.003 -13.863 11.001 1.00 0.00 C ATOM 995 CD GLU A 95 -13.376 -13.584 10.388 1.00 0.00 C ATOM 996 OE1 GLU A 95 -13.589 -14.028 9.238 1.00 0.00 O ATOM 997 OE2 GLU A 95 -14.174 -12.900 11.065 1.00 0.00 O ATOM 0 H GLU A 95 -8.778 -11.409 10.027 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.501 -13.537 11.991 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.279 -11.838 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.041 -12.654 9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.649 -14.843 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.084 -13.892 12.088 1.00 0.00 H new ATOM 999 N ALA A 96 -7.587 -14.332 10.087 1.00 0.00 N ATOM 1000 CA ALA A 96 -6.829 -15.400 9.379 1.00 0.00 C ATOM 1001 C ALA A 96 -5.322 -15.381 9.727 1.00 0.00 C ATOM 1002 O ALA A 96 -4.907 -14.666 10.634 1.00 0.00 O ATOM 1003 CB ALA A 96 -7.053 -15.333 7.856 1.00 0.00 C ATOM 0 H ALA A 96 -6.983 -13.658 10.557 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.223 -16.352 9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.485 -16.126 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.114 -15.460 7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.719 -14.366 7.481 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.520 -16.160 8.992 1.00 0.00 N ATOM 1006 CA LEU A 97 -3.071 -16.353 9.221 1.00 0.00 C ATOM 1007 C LEU A 97 -2.436 -16.902 7.929 1.00 0.00 C ATOM 1008 O LEU A 97 -3.116 -17.561 7.142 1.00 0.00 O ATOM 1009 CB LEU A 97 -2.921 -17.344 10.394 1.00 0.00 C ATOM 1010 CG LEU A 97 -1.568 -17.477 11.121 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -0.543 -18.298 10.334 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -0.997 -16.115 11.532 1.00 0.00 C ATOM 0 H LEU A 97 -4.866 -16.693 8.194 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.566 -15.420 9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.667 -17.076 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.187 -18.333 10.019 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.777 -18.035 12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.388 -18.355 10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.930 -19.304 10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.356 -17.821 9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.044 -16.259 12.041 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.846 -15.501 10.644 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.695 -15.616 12.204 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.194 -16.469 7.667 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.419 -16.926 6.492 1.00 0.00 C ATOM 1016 C GLY A 98 0.873 -16.125 6.279 1.00 0.00 C ATOM 1017 O GLY A 98 1.085 -15.088 6.906 1.00 0.00 O ATOM 0 H GLY A 98 -0.698 -15.799 8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.171 -17.980 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.041 -16.847 5.600 1.00 0.00 H new ATOM 1019 N THR A 99 1.787 -16.721 5.520 1.00 0.00 N ATOM 1020 CA THR A 99 3.023 -16.036 5.078 1.00 0.00 C ATOM 1021 C THR A 99 3.162 -16.145 3.551 1.00 0.00 C ATOM 1022 O THR A 99 3.464 -17.203 3.008 1.00 0.00 O ATOM 1023 CB THR A 99 4.263 -16.566 5.816 1.00 0.00 C ATOM 1024 OG1 THR A 99 3.984 -16.594 7.221 1.00 0.00 O ATOM 1025 CG2 THR A 99 5.488 -15.672 5.579 1.00 0.00 C ATOM 0 H THR A 99 1.705 -17.683 5.190 1.00 0.00 H new ATOM 0 HA THR A 99 2.948 -14.980 5.336 1.00 0.00 H new ATOM 0 HB THR A 99 4.486 -17.563 5.436 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.767 -16.932 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 99 6.345 -16.079 6.116 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.712 -15.637 4.513 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.279 -14.665 5.939 1.00 0.00 H new ATOM 1028 N SER A 100 2.565 -15.130 2.942 1.00 0.00 N ATOM 1029 CA SER A 100 2.529 -14.852 1.486 1.00 0.00 C ATOM 1030 C SER A 100 3.095 -13.471 1.054 1.00 0.00 C ATOM 1031 O SER A 100 3.644 -13.401 -0.045 1.00 0.00 O ATOM 1032 CB SER A 100 1.093 -15.065 0.977 1.00 0.00 C ATOM 1033 OG SER A 100 0.917 -14.620 -0.370 1.00 0.00 O ATOM 0 H SER A 100 2.055 -14.424 3.474 1.00 0.00 H new ATOM 0 HA SER A 100 3.214 -15.559 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.841 -16.124 1.042 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.398 -14.532 1.626 1.00 0.00 H new ATOM 0 HG SER A 100 -0.009 -14.778 -0.648 1.00 0.00 H new ATOM 1036 N PRO A 101 2.960 -12.382 1.840 1.00 0.00 N ATOM 1037 CA PRO A 101 3.560 -11.063 1.525 1.00 0.00 C ATOM 1038 C PRO A 101 5.101 -11.026 1.586 1.00 0.00 C ATOM 1039 O PRO A 101 5.759 -11.943 1.104 1.00 0.00 O ATOM 1040 CB PRO A 101 2.899 -10.113 2.523 1.00 0.00 C ATOM 1041 CG PRO A 101 2.640 -11.002 3.735 1.00 0.00 C ATOM 1042 CD PRO A 101 2.116 -12.252 3.050 1.00 0.00 C ATOM 0 HA PRO A 101 3.375 -10.784 0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.549 -9.274 2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.974 -9.693 2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.546 -11.193 4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.912 -10.568 4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.205 -13.127 3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.062 -12.153 2.792 1.00 0.00 H new ATOM 1043 N ARG A 102 5.648 -9.940 2.149 1.00 0.00 N ATOM 1044 CA ARG A 102 7.088 -9.644 2.314 1.00 0.00 C ATOM 1045 C ARG A 102 7.728 -9.358 0.942 1.00 0.00 C ATOM 1046 O ARG A 102 8.680 -9.993 0.491 1.00 0.00 O ATOM 1047 CB ARG A 102 7.783 -10.777 3.092 1.00 0.00 C ATOM 1048 CG ARG A 102 9.008 -10.304 3.878 1.00 0.00 C ATOM 1049 CD ARG A 102 8.595 -9.407 5.047 1.00 0.00 C ATOM 1050 NE ARG A 102 9.796 -9.014 5.801 1.00 0.00 N ATOM 1051 CZ ARG A 102 9.882 -8.825 7.120 1.00 0.00 C ATOM 1052 NH1 ARG A 102 8.850 -8.997 7.936 1.00 0.00 N ATOM 1053 NH2 ARG A 102 11.029 -8.423 7.646 1.00 0.00 N ATOM 0 H ARG A 102 5.064 -9.194 2.527 1.00 0.00 H new ATOM 0 HA ARG A 102 7.216 -8.742 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.069 -11.227 3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.086 -11.556 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 102 9.559 -11.166 4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.681 -9.759 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.077 -8.522 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.898 -9.935 5.698 1.00 0.00 H new ATOM 0 HE ARG A 102 10.650 -8.871 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.946 -9.285 7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.961 -8.841 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.837 -8.261 7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.105 -8.276 8.652 1.00 0.00 H new ATOM 1060 N MET A 103 7.226 -8.277 0.354 1.00 0.00 N ATOM 1061 CA MET A 103 7.575 -7.878 -1.020 1.00 0.00 C ATOM 1062 C MET A 103 8.319 -6.537 -1.040 1.00 0.00 C ATOM 1063 O MET A 103 7.814 -5.520 -0.562 1.00 0.00 O ATOM 1064 CB MET A 103 6.290 -7.793 -1.847 1.00 0.00 C ATOM 1065 CG MET A 103 6.552 -8.145 -3.315 1.00 0.00 C ATOM 1066 SD MET A 103 6.915 -9.918 -3.592 1.00 0.00 S ATOM 1067 CE MET A 103 5.298 -10.628 -3.356 1.00 0.00 C ATOM 0 H MET A 103 6.565 -7.648 0.810 1.00 0.00 H new ATOM 0 HA MET A 103 8.244 -8.624 -1.449 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.544 -8.472 -1.435 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.877 -6.787 -1.780 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.681 -7.864 -3.908 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.390 -7.550 -3.678 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.307 -11.669 -3.680 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.029 -10.578 -2.301 1.00 0.00 H new ATOM 0 HE3 MET A 103 4.567 -10.072 -3.943 1.00 0.00 H new ATOM 1069 N THR A 104 9.556 -6.614 -1.515 1.00 0.00 N ATOM 1070 CA THR A 104 10.469 -5.459 -1.654 1.00 0.00 C ATOM 1071 C THR A 104 10.661 -5.069 -3.124 1.00 0.00 C ATOM 1072 O THR A 104 11.522 -5.567 -3.848 1.00 0.00 O ATOM 1073 CB THR A 104 11.823 -5.732 -0.983 1.00 0.00 C ATOM 1074 OG1 THR A 104 12.280 -7.049 -1.308 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.738 -5.523 0.531 1.00 0.00 C ATOM 0 H THR A 104 9.972 -7.493 -1.824 1.00 0.00 H new ATOM 0 HA THR A 104 10.003 -4.617 -1.142 1.00 0.00 H new ATOM 0 HB THR A 104 12.552 -5.018 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.244 -7.177 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.710 -5.723 0.981 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.446 -4.494 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.997 -6.203 0.951 1.00 0.00 H new ATOM 1078 N PHE A 105 9.888 -4.059 -3.496 1.00 0.00 N ATOM 1079 CA PHE A 105 9.783 -3.589 -4.892 1.00 0.00 C ATOM 1080 C PHE A 105 10.594 -2.291 -5.016 1.00 0.00 C ATOM 1081 O PHE A 105 10.729 -1.512 -4.071 1.00 0.00 O ATOM 1082 CB PHE A 105 8.332 -3.295 -5.314 1.00 0.00 C ATOM 1083 CG PHE A 105 7.232 -4.075 -4.580 1.00 0.00 C ATOM 1084 CD1 PHE A 105 6.932 -3.719 -3.270 1.00 0.00 C ATOM 1085 CD2 PHE A 105 6.341 -4.881 -5.280 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.745 -4.109 -2.684 1.00 0.00 C ATOM 1087 CE2 PHE A 105 5.159 -5.302 -4.681 1.00 0.00 C ATOM 1088 CZ PHE A 105 4.856 -4.915 -3.382 1.00 0.00 C ATOM 0 H PHE A 105 9.308 -3.532 -2.843 1.00 0.00 H new ATOM 0 HA PHE A 105 10.161 -4.379 -5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.146 -2.230 -5.175 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.240 -3.498 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.637 -3.129 -2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.568 -5.181 -6.292 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.507 -3.787 -1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.474 -5.932 -5.228 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.936 -5.239 -2.918 1.00 0.00 H new ATOM 1095 N ILE A 106 11.200 -2.128 -6.183 1.00 0.00 N ATOM 1096 CA ILE A 106 12.085 -0.981 -6.463 1.00 0.00 C ATOM 1097 C ILE A 106 11.594 -0.104 -7.630 1.00 0.00 C ATOM 1098 O ILE A 106 11.203 -0.607 -8.686 1.00 0.00 O ATOM 1099 CB ILE A 106 13.554 -1.454 -6.597 1.00 0.00 C ATOM 1100 CG1 ILE A 106 13.780 -2.644 -7.543 1.00 0.00 C ATOM 1101 CG2 ILE A 106 14.121 -1.814 -5.217 1.00 0.00 C ATOM 1102 CD1 ILE A 106 13.805 -2.287 -9.031 1.00 0.00 C ATOM 0 H ILE A 106 11.100 -2.776 -6.965 1.00 0.00 H new ATOM 0 HA ILE A 106 12.046 -0.309 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 106 14.074 -0.606 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.724 -3.122 -7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.993 -3.379 -7.374 1.00 0.00 H new ATOM 0 HG21 ILE A 106 15.154 -2.145 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.085 -0.938 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.527 -2.615 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 106 13.970 -3.190 -9.619 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.853 -1.839 -9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 106 14.611 -1.578 -9.222 1.00 0.00 H new ATOM 1104 N LYS A 107 11.613 1.212 -7.416 1.00 0.00 N ATOM 1105 CA LYS A 107 11.208 2.221 -8.424 1.00 0.00 C ATOM 1106 C LYS A 107 12.333 2.509 -9.444 1.00 0.00 C ATOM 1107 O LYS A 107 12.570 3.637 -9.861 1.00 0.00 O ATOM 1108 CB LYS A 107 10.673 3.483 -7.713 1.00 0.00 C ATOM 1109 CG LYS A 107 9.989 4.518 -8.623 1.00 0.00 C ATOM 1110 CD LYS A 107 8.786 3.955 -9.386 1.00 0.00 C ATOM 1111 CE LYS A 107 7.559 3.798 -8.487 1.00 0.00 C ATOM 1112 NZ LYS A 107 6.722 2.695 -8.969 1.00 0.00 N ATOM 0 H LYS A 107 11.912 1.623 -6.531 1.00 0.00 H new ATOM 0 HA LYS A 107 10.392 1.818 -9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.962 3.173 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.503 3.969 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.663 5.364 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.717 4.900 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.543 4.616 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.048 2.987 -9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.872 3.606 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.984 4.724 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.483 2.068 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.848 3.078 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.240 2.156 -9.692 1.00 0.00 H new ATOM 1117 N HIS A 108 12.982 1.413 -9.846 1.00 0.00 N ATOM 1118 CA HIS A 108 14.015 1.283 -10.903 1.00 0.00 C ATOM 1119 C HIS A 108 15.433 1.357 -10.310 1.00 0.00 C ATOM 1120 O HIS A 108 15.936 2.416 -9.948 1.00 0.00 O ATOM 1121 CB HIS A 108 13.879 2.265 -12.086 1.00 0.00 C ATOM 1122 CG HIS A 108 12.496 2.293 -12.763 1.00 0.00 C ATOM 1123 ND1 HIS A 108 11.377 1.714 -12.336 1.00 0.00 N ATOM 1124 CD2 HIS A 108 12.167 3.055 -13.803 1.00 0.00 C ATOM 1125 CE1 HIS A 108 10.368 2.114 -13.100 1.00 0.00 C ATOM 1126 NE2 HIS A 108 10.858 2.935 -14.020 1.00 0.00 N ATOM 0 H HIS A 108 12.789 0.512 -9.409 1.00 0.00 H new ATOM 0 HA HIS A 108 13.839 0.294 -11.327 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.112 3.269 -11.732 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.627 2.010 -12.836 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.847 3.668 -14.375 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.333 1.823 -12.992 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.327 3.393 -14.761 1.00 0.00 H new ATOM 1129 N LYS A 109 16.004 0.173 -10.111 1.00 0.00 N ATOM 1130 CA LYS A 109 17.363 0.009 -9.545 1.00 0.00 C ATOM 1131 C LYS A 109 18.278 -0.762 -10.519 1.00 0.00 C ATOM 1132 O LYS A 109 19.444 -0.343 -10.676 1.00 99.99 O ATOM 1133 CG LYS A 109 18.518 -0.795 -7.356 1.00 0.00 C ATOM 1134 CD LYS A 109 19.343 -2.014 -7.773 1.00 0.00 C ATOM 1135 CE LYS A 109 20.836 -1.691 -7.758 1.00 0.00 C ATOM 1136 NZ LYS A 109 21.479 -2.277 -8.942 1.00 0.00 N ATOM 1137 OXT LYS A 109 17.760 -1.725 -11.131 1.00 99.99 O ATOM 0 H LYS A 109 15.546 -0.710 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 109 19.139 -2.845 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 109 19.046 -2.335 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 109 20.985 -0.611 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 109 21.294 -2.084 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 22.495 -2.056 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 21.349 -3.309 -8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 21.049 -1.881 -9.802 1.00 0.00 H new TER 1142 LYS A 109