USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 67:sc= 0.82 USER MOD Single : A 15 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.031) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 23 SER OG : rot 31:sc= 1.05 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.504) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 132:sc= 2.11 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 67 THR OG1 : rot 25:sc= 0.479 USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.194) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.473) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.287 X(o=0.29,f=-0.14) USER MOD Single : A 81 TYR OH : rot -77:sc= 0.969 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -6:sc= 0.104 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -112:sc= 0.449 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0195) USER MOD Single : A 92 ASN : amide:sc= -0.982 X(o=-0.98,f=-0.95) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -156:sc= -0.0595 (180deg=-0.799) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 11.628 3.764 -12.099 1.00 0.00 N ATOM 35 CA ASN A 5 11.915 4.063 -10.665 1.00 0.00 C ATOM 36 C ASN A 5 11.074 3.111 -9.763 1.00 0.00 C ATOM 37 O ASN A 5 10.195 3.521 -8.998 1.00 0.00 O ATOM 38 CB ASN A 5 11.644 5.552 -10.360 1.00 0.00 C ATOM 39 CG ASN A 5 12.617 6.555 -11.009 1.00 0.00 C ATOM 40 OD1 ASN A 5 13.826 6.509 -10.774 1.00 0.00 O ATOM 41 ND2 ASN A 5 12.132 7.474 -11.827 1.00 0.00 N ATOM 0 HA ASN A 5 12.969 3.885 -10.451 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.632 5.792 -10.686 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.672 5.694 -9.280 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.759 8.148 -12.266 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.131 7.509 -12.019 1.00 0.00 H new ATOM 42 N ALA A 6 11.396 1.818 -9.894 1.00 0.00 N ATOM 43 CA ALA A 6 10.649 0.702 -9.258 1.00 0.00 C ATOM 44 C ALA A 6 11.552 -0.150 -8.344 1.00 0.00 C ATOM 45 O ALA A 6 12.774 -0.230 -8.496 1.00 0.00 O ATOM 46 CB ALA A 6 10.001 -0.172 -10.349 1.00 0.00 C ATOM 0 H ALA A 6 12.191 1.503 -10.450 1.00 0.00 H new ATOM 0 HA ALA A 6 9.872 1.131 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.453 -0.990 -9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.314 0.434 -10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.777 -0.578 -10.998 1.00 0.00 H new ATOM 47 N LEU A 7 10.887 -0.775 -7.362 1.00 0.00 N ATOM 48 CA LEU A 7 11.542 -1.376 -6.187 1.00 0.00 C ATOM 49 C LEU A 7 11.145 -2.865 -6.164 1.00 0.00 C ATOM 50 O LEU A 7 9.971 -3.245 -6.234 1.00 0.00 O ATOM 51 CB LEU A 7 11.120 -0.643 -4.881 1.00 0.00 C ATOM 52 CG LEU A 7 11.435 0.881 -4.824 1.00 0.00 C ATOM 53 CD1 LEU A 7 10.847 1.528 -3.561 1.00 0.00 C ATOM 54 CD2 LEU A 7 12.935 1.221 -4.921 1.00 0.00 C ATOM 0 H LEU A 7 9.872 -0.879 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 7 12.626 -1.279 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.047 -0.778 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.614 -1.128 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 7 10.958 1.295 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.085 2.592 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.765 1.398 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.273 1.054 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.067 2.302 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.468 0.754 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.332 0.848 -5.865 1.00 0.00 H new ATOM 55 N GLU A 8 12.185 -3.686 -6.039 1.00 0.00 N ATOM 56 CA GLU A 8 12.057 -5.159 -5.906 1.00 0.00 C ATOM 57 C GLU A 8 11.691 -5.473 -4.436 1.00 0.00 C ATOM 58 O GLU A 8 12.477 -5.291 -3.502 1.00 0.00 O ATOM 59 CB GLU A 8 13.355 -5.885 -6.318 1.00 0.00 C ATOM 60 CG GLU A 8 13.669 -5.907 -7.828 1.00 0.00 C ATOM 61 CD GLU A 8 14.128 -4.595 -8.474 1.00 0.00 C ATOM 62 OE1 GLU A 8 15.262 -4.149 -8.196 1.00 0.00 O ATOM 63 OE2 GLU A 8 13.356 -4.013 -9.271 1.00 0.00 O ATOM 0 H GLU A 8 13.151 -3.359 -6.026 1.00 0.00 H new ATOM 0 HA GLU A 8 11.277 -5.519 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.191 -5.414 -5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.300 -6.914 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.443 -6.655 -8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.776 -6.246 -8.353 1.00 0.00 H new ATOM 64 N THR A 9 10.428 -5.864 -4.282 1.00 0.00 N ATOM 65 CA THR A 9 9.702 -5.780 -2.990 1.00 0.00 C ATOM 66 C THR A 9 9.439 -7.245 -2.559 1.00 0.00 C ATOM 67 O THR A 9 8.532 -7.912 -3.058 1.00 0.00 O ATOM 68 CB THR A 9 8.435 -4.893 -3.160 1.00 0.00 C ATOM 69 OG1 THR A 9 8.784 -3.622 -3.700 1.00 0.00 O ATOM 70 CG2 THR A 9 7.686 -4.617 -1.860 1.00 0.00 C ATOM 0 H THR A 9 9.868 -6.250 -5.042 1.00 0.00 H new ATOM 0 HA THR A 9 10.263 -5.290 -2.194 1.00 0.00 H new ATOM 0 HB THR A 9 7.787 -5.466 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.107 -3.734 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.817 -3.993 -2.066 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.359 -5.560 -1.421 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.346 -4.101 -1.162 1.00 0.00 H new ATOM 71 N TRP A 10 10.308 -7.740 -1.666 1.00 0.00 N ATOM 72 CA TRP A 10 10.488 -9.196 -1.449 1.00 0.00 C ATOM 73 C TRP A 10 9.567 -9.714 -0.314 1.00 0.00 C ATOM 74 O TRP A 10 9.526 -9.158 0.787 1.00 0.00 O ATOM 75 CB TRP A 10 11.980 -9.517 -1.157 1.00 0.00 C ATOM 76 CG TRP A 10 12.925 -9.323 -2.355 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.836 -8.259 -2.518 1.00 0.00 C ATOM 78 CD2 TRP A 10 13.037 -10.086 -3.506 1.00 0.00 C ATOM 79 NE1 TRP A 10 14.517 -8.337 -3.744 1.00 0.00 N ATOM 80 CE2 TRP A 10 14.000 -9.473 -4.346 1.00 0.00 C ATOM 81 CE3 TRP A 10 12.369 -11.268 -3.929 1.00 0.00 C ATOM 82 CZ2 TRP A 10 14.302 -10.030 -5.612 1.00 0.00 C ATOM 83 CZ3 TRP A 10 12.695 -11.808 -5.174 1.00 0.00 C ATOM 84 CH2 TRP A 10 13.640 -11.196 -6.006 1.00 0.00 C ATOM 0 H TRP A 10 10.902 -7.157 -1.077 1.00 0.00 H new ATOM 0 HA TRP A 10 10.199 -9.717 -2.362 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.320 -8.884 -0.337 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.055 -10.549 -0.815 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.991 -7.478 -1.788 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.229 -7.703 -4.108 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.626 -11.737 -3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 15.029 -9.563 -6.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 12.209 -12.715 -5.502 1.00 0.00 H new ATOM 0 HH2 TRP A 10 13.861 -11.632 -6.969 1.00 0.00 H new ATOM 85 N GLY A 11 8.848 -10.805 -0.623 1.00 0.00 N ATOM 86 CA GLY A 11 7.975 -11.499 0.343 1.00 0.00 C ATOM 87 C GLY A 11 8.151 -13.027 0.262 1.00 0.00 C ATOM 88 O GLY A 11 9.264 -13.541 0.095 1.00 0.00 O ATOM 0 H GLY A 11 8.854 -11.232 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.203 -11.158 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.935 -11.240 0.147 1.00 0.00 H new ATOM 89 N ALA A 12 7.033 -13.748 0.437 1.00 0.00 N ATOM 90 CA ALA A 12 7.013 -15.233 0.426 1.00 0.00 C ATOM 91 C ALA A 12 5.607 -15.754 0.019 1.00 0.00 C ATOM 92 O ALA A 12 4.577 -15.111 0.262 1.00 0.00 O ATOM 93 CB ALA A 12 7.447 -15.793 1.801 1.00 0.00 C ATOM 0 H ALA A 12 6.116 -13.327 0.590 1.00 0.00 H new ATOM 0 HA ALA A 12 7.728 -15.587 -0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.426 -16.882 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.458 -15.455 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.763 -15.436 2.571 1.00 0.00 H new ATOM 94 N LEU A 13 5.576 -16.955 -0.596 1.00 0.00 N ATOM 95 CA LEU A 13 4.309 -17.600 -1.045 1.00 0.00 C ATOM 96 C LEU A 13 3.667 -18.349 0.153 1.00 0.00 C ATOM 97 O LEU A 13 4.333 -19.074 0.901 1.00 0.00 O ATOM 98 CB LEU A 13 4.495 -18.427 -2.353 1.00 0.00 C ATOM 99 CG LEU A 13 4.340 -19.976 -2.391 1.00 0.00 C ATOM 100 CD1 LEU A 13 2.888 -20.486 -2.371 1.00 0.00 C ATOM 101 CD2 LEU A 13 4.968 -20.509 -3.686 1.00 0.00 C ATOM 0 H LEU A 13 6.412 -17.504 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 13 3.586 -16.844 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.789 -18.025 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.496 -18.204 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 13 4.829 -20.332 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.885 -21.576 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.395 -20.146 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.354 -20.098 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.864 -21.593 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.461 -20.068 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.025 -20.245 -3.713 1.00 0.00 H new ATOM 102 N GLY A 14 2.362 -18.117 0.334 1.00 0.00 N ATOM 103 CA GLY A 14 1.650 -18.476 1.584 1.00 0.00 C ATOM 104 C GLY A 14 2.084 -17.614 2.784 1.00 0.00 C ATOM 105 O GLY A 14 2.651 -18.150 3.740 1.00 0.00 O ATOM 0 H GLY A 14 1.767 -17.680 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.577 -18.364 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.832 -19.526 1.812 1.00 0.00 H new ATOM 106 N GLN A 15 1.883 -16.285 2.683 1.00 0.00 N ATOM 107 CA GLN A 15 2.483 -15.314 3.651 1.00 0.00 C ATOM 108 C GLN A 15 1.952 -13.874 3.424 1.00 0.00 C ATOM 109 O GLN A 15 1.909 -13.379 2.295 1.00 0.00 O ATOM 110 CB GLN A 15 4.049 -15.299 3.652 1.00 0.00 C ATOM 111 CG GLN A 15 4.732 -14.715 4.915 1.00 0.00 C ATOM 112 CD GLN A 15 4.452 -15.476 6.226 1.00 0.00 C ATOM 113 OE1 GLN A 15 3.569 -15.107 7.000 1.00 0.00 O ATOM 114 NE2 GLN A 15 5.185 -16.547 6.502 1.00 0.00 N ATOM 0 H GLN A 15 1.318 -15.852 1.953 1.00 0.00 H new ATOM 0 HA GLN A 15 2.166 -15.671 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.400 -16.322 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.386 -14.728 2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.809 -14.694 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.409 -13.681 5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.915 -16.846 5.855 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.019 -17.071 7.361 1.00 0.00 H new ATOM 115 N ASP A 16 1.594 -13.196 4.533 1.00 0.00 N ATOM 116 CA ASP A 16 1.173 -11.767 4.530 1.00 0.00 C ATOM 117 C ASP A 16 2.367 -10.811 4.258 1.00 0.00 C ATOM 118 O ASP A 16 3.458 -10.983 4.815 1.00 0.00 O ATOM 119 CB ASP A 16 0.328 -11.446 5.801 1.00 0.00 C ATOM 120 CG ASP A 16 0.796 -10.398 6.822 1.00 0.00 C ATOM 121 OD1 ASP A 16 0.597 -9.188 6.587 1.00 0.00 O ATOM 122 OD2 ASP A 16 1.370 -10.787 7.864 1.00 0.00 O ATOM 0 H ASP A 16 1.586 -13.618 5.461 1.00 0.00 H new ATOM 0 HA ASP A 16 0.505 -11.586 3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.659 -11.137 5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.199 -12.383 6.343 1.00 0.00 H new ATOM 123 N ILE A 17 2.119 -9.795 3.414 1.00 0.00 N ATOM 124 CA ILE A 17 3.174 -8.801 3.042 1.00 0.00 C ATOM 125 C ILE A 17 2.557 -7.387 2.814 1.00 0.00 C ATOM 126 O ILE A 17 1.544 -7.242 2.122 1.00 0.00 O ATOM 127 CB ILE A 17 4.074 -9.332 1.868 1.00 0.00 C ATOM 128 CG1 ILE A 17 5.418 -8.568 1.672 1.00 0.00 C ATOM 129 CG2 ILE A 17 3.312 -9.415 0.528 1.00 0.00 C ATOM 130 CD1 ILE A 17 6.419 -8.674 2.832 1.00 0.00 C ATOM 0 H ILE A 17 1.213 -9.630 2.974 1.00 0.00 H new ATOM 0 HA ILE A 17 3.860 -8.677 3.880 1.00 0.00 H new ATOM 0 HB ILE A 17 4.339 -10.339 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.898 -8.940 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.195 -7.514 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.980 -9.788 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.464 -10.092 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.952 -8.424 0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.317 -8.106 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.968 -8.272 3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.683 -9.720 2.991 1.00 0.00 H new ATOM 131 N ASN A 18 3.197 -6.351 3.395 1.00 0.00 N ATOM 132 CA ASN A 18 2.634 -4.975 3.453 1.00 0.00 C ATOM 133 C ASN A 18 3.389 -4.011 2.484 1.00 0.00 C ATOM 134 O ASN A 18 4.624 -3.954 2.489 1.00 0.00 O ATOM 135 CB ASN A 18 2.663 -4.422 4.906 1.00 0.00 C ATOM 136 CG ASN A 18 1.744 -5.115 5.943 1.00 0.00 C ATOM 137 OD1 ASN A 18 1.372 -6.283 5.823 1.00 0.00 O ATOM 138 ND2 ASN A 18 1.376 -4.417 7.004 1.00 0.00 N ATOM 0 H ASN A 18 4.113 -6.438 3.836 1.00 0.00 H new ATOM 0 HA ASN A 18 1.595 -5.032 3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.689 -4.481 5.270 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.397 -3.365 4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.787 -4.846 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.681 -3.449 7.109 1.00 0.00 H new ATOM 139 N LEU A 19 2.617 -3.216 1.712 1.00 0.00 N ATOM 140 CA LEU A 19 3.142 -2.087 0.906 1.00 0.00 C ATOM 141 C LEU A 19 3.149 -0.788 1.752 1.00 0.00 C ATOM 142 O LEU A 19 2.095 -0.238 2.076 1.00 0.00 O ATOM 143 CB LEU A 19 2.398 -1.898 -0.470 1.00 0.00 C ATOM 144 CG LEU A 19 3.154 -2.448 -1.708 1.00 0.00 C ATOM 145 CD1 LEU A 19 4.651 -2.083 -1.815 1.00 0.00 C ATOM 146 CD2 LEU A 19 3.010 -3.954 -1.900 1.00 0.00 C ATOM 0 H LEU A 19 1.608 -3.338 1.628 1.00 0.00 H new ATOM 0 HA LEU A 19 4.169 -2.333 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.426 -2.388 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.210 -0.835 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 19 2.638 -1.920 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.069 -2.524 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.759 -0.999 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.183 -2.468 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.566 -4.263 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.404 -4.472 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.957 -4.206 -2.027 1.00 0.00 H new ATOM 147 N ASP A 20 4.367 -0.323 2.097 1.00 0.00 N ATOM 148 CA ASP A 20 4.590 0.899 2.910 1.00 0.00 C ATOM 149 C ASP A 20 5.606 1.775 2.121 1.00 0.00 C ATOM 150 O ASP A 20 6.816 1.519 2.155 1.00 0.00 O ATOM 151 CB ASP A 20 5.152 0.553 4.319 1.00 0.00 C ATOM 152 CG ASP A 20 4.182 -0.097 5.315 1.00 0.00 C ATOM 153 OD1 ASP A 20 3.763 -1.252 5.083 1.00 0.00 O ATOM 154 OD2 ASP A 20 3.855 0.534 6.342 1.00 0.00 O ATOM 0 H ASP A 20 5.233 -0.786 1.819 1.00 0.00 H new ATOM 0 HA ASP A 20 3.649 1.425 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.003 -0.115 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.533 1.471 4.767 1.00 0.00 H new ATOM 155 N ILE A 21 5.110 2.816 1.432 1.00 0.00 N ATOM 156 CA ILE A 21 5.963 3.922 0.889 1.00 0.00 C ATOM 157 C ILE A 21 6.164 5.117 1.896 1.00 0.00 C ATOM 158 O ILE A 21 7.317 5.555 1.972 1.00 0.00 O ATOM 159 CB ILE A 21 5.556 4.330 -0.579 1.00 0.00 C ATOM 160 CG1 ILE A 21 6.709 4.983 -1.408 1.00 0.00 C ATOM 161 CG2 ILE A 21 4.230 5.112 -0.730 1.00 0.00 C ATOM 162 CD1 ILE A 21 7.006 6.477 -1.230 1.00 0.00 C ATOM 0 H ILE A 21 4.117 2.928 1.229 1.00 0.00 H new ATOM 0 HA ILE A 21 6.971 3.520 0.787 1.00 0.00 H new ATOM 0 HB ILE A 21 5.353 3.355 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.625 4.437 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.490 4.816 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.057 5.336 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.406 4.509 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.290 6.043 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.834 6.763 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.122 7.058 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.274 6.674 -0.192 1.00 0.00 H new ATOM 163 N PRO A 22 5.175 5.709 2.648 1.00 0.00 N ATOM 164 CA PRO A 22 5.327 7.052 3.271 1.00 0.00 C ATOM 165 C PRO A 22 6.427 7.252 4.348 1.00 0.00 C ATOM 166 O PRO A 22 6.673 6.387 5.193 1.00 0.00 O ATOM 167 CB PRO A 22 3.947 7.319 3.900 1.00 0.00 C ATOM 168 CG PRO A 22 2.975 6.504 3.065 1.00 0.00 C ATOM 169 CD PRO A 22 3.769 5.256 2.683 1.00 0.00 C ATOM 0 HA PRO A 22 5.658 7.737 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.923 7.013 4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.699 8.380 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.079 6.249 3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.648 7.054 2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.627 4.457 3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.454 4.865 1.716 1.00 0.00 H new ATOM 170 N SER A 23 6.981 8.475 4.321 1.00 0.00 N ATOM 171 CA SER A 23 7.548 9.154 5.504 1.00 0.00 C ATOM 172 C SER A 23 7.506 10.700 5.244 1.00 0.00 C ATOM 173 O SER A 23 8.547 11.364 5.186 1.00 0.00 O ATOM 174 CB SER A 23 8.964 8.662 5.920 1.00 0.00 C ATOM 175 OG SER A 23 8.974 7.305 6.340 1.00 0.00 O ATOM 0 H SER A 23 7.050 9.029 3.468 1.00 0.00 H new ATOM 0 HA SER A 23 6.932 8.895 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.647 8.782 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.339 9.290 6.728 1.00 0.00 H new ATOM 0 HG SER A 23 8.275 6.810 5.864 1.00 0.00 H new ATOM 176 N PHE A 24 6.292 11.268 5.057 1.00 0.00 N ATOM 177 CA PHE A 24 6.097 12.673 4.598 1.00 0.00 C ATOM 178 C PHE A 24 4.712 13.113 5.143 1.00 0.00 C ATOM 179 O PHE A 24 3.671 12.651 4.654 1.00 0.00 O ATOM 180 CB PHE A 24 6.150 12.828 3.042 1.00 0.00 C ATOM 181 CG PHE A 24 7.535 12.630 2.392 1.00 0.00 C ATOM 182 CD1 PHE A 24 8.450 13.684 2.347 1.00 0.00 C ATOM 183 CD2 PHE A 24 7.901 11.380 1.880 1.00 0.00 C ATOM 184 CE1 PHE A 24 9.720 13.489 1.811 1.00 0.00 C ATOM 185 CE2 PHE A 24 9.173 11.183 1.352 1.00 0.00 C ATOM 186 CZ PHE A 24 10.084 12.237 1.316 1.00 0.00 C ATOM 0 H PHE A 24 5.417 10.769 5.219 1.00 0.00 H new ATOM 0 HA PHE A 24 6.908 13.297 4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.457 12.111 2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.787 13.823 2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.171 14.655 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.193 10.565 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.424 14.308 1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.455 10.213 0.970 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.071 12.084 0.905 1.00 0.00 H new ATOM 187 N GLN A 25 4.711 13.983 6.172 1.00 0.00 N ATOM 188 CA GLN A 25 3.472 14.356 6.911 1.00 0.00 C ATOM 189 C GLN A 25 3.382 15.906 6.970 1.00 0.00 C ATOM 190 O GLN A 25 3.979 16.547 7.841 1.00 0.00 O ATOM 191 CB GLN A 25 3.451 13.696 8.319 1.00 0.00 C ATOM 192 CG GLN A 25 3.236 12.164 8.313 1.00 0.00 C ATOM 193 CD GLN A 25 3.353 11.516 9.702 1.00 0.00 C ATOM 194 OE1 GLN A 25 4.426 11.063 10.103 1.00 0.00 O ATOM 195 NE2 GLN A 25 2.269 11.450 10.458 1.00 0.00 N ATOM 0 H GLN A 25 5.552 14.445 6.517 1.00 0.00 H new ATOM 0 HA GLN A 25 2.590 13.981 6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.393 13.915 8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.660 14.158 8.910 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.250 11.946 7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.967 11.706 7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.385 11.828 10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.317 11.021 11.382 1.00 0.00 H new ATOM 196 N MET A 26 2.609 16.485 6.032 1.00 0.00 N ATOM 197 CA MET A 26 2.334 17.946 5.987 1.00 0.00 C ATOM 198 C MET A 26 1.074 18.288 6.837 1.00 0.00 C ATOM 199 O MET A 26 0.125 17.496 6.931 1.00 0.00 O ATOM 200 CB MET A 26 2.119 18.417 4.520 1.00 0.00 C ATOM 201 CG MET A 26 3.312 18.249 3.565 1.00 0.00 C ATOM 202 SD MET A 26 2.905 18.988 1.971 1.00 0.00 S ATOM 203 CE MET A 26 4.315 18.466 0.975 1.00 0.00 C ATOM 0 H MET A 26 2.156 15.961 5.283 1.00 0.00 H new ATOM 0 HA MET A 26 3.197 18.467 6.403 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.271 17.870 4.107 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.841 19.471 4.537 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.198 18.725 3.984 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.547 17.192 3.440 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.205 18.848 -0.040 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.234 18.857 1.412 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.359 17.377 0.950 1.00 0.00 H new ATOM 204 N SER A 27 1.044 19.512 7.404 1.00 0.00 N ATOM 205 CA SER A 27 -0.167 20.050 8.101 1.00 0.00 C ATOM 206 C SER A 27 -1.433 20.339 7.227 1.00 0.00 C ATOM 207 O SER A 27 -2.514 20.513 7.799 1.00 0.00 O ATOM 208 CB SER A 27 0.220 21.323 8.891 1.00 0.00 C ATOM 209 OG SER A 27 1.228 21.056 9.862 1.00 0.00 O ATOM 0 H SER A 27 1.837 20.153 7.399 1.00 0.00 H new ATOM 0 HA SER A 27 -0.483 19.232 8.749 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.575 22.087 8.199 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.663 21.727 9.385 1.00 0.00 H new ATOM 0 HG SER A 27 1.449 21.882 10.340 1.00 0.00 H new ATOM 210 N ASP A 28 -1.326 20.389 5.880 1.00 0.00 N ATOM 211 CA ASP A 28 -2.451 20.747 4.977 1.00 0.00 C ATOM 212 C ASP A 28 -3.474 19.583 4.803 1.00 0.00 C ATOM 213 O ASP A 28 -4.565 19.679 5.373 1.00 0.00 O ATOM 214 CB ASP A 28 -1.919 21.314 3.625 1.00 0.00 C ATOM 215 CG ASP A 28 -1.165 22.650 3.717 1.00 0.00 C ATOM 216 OD1 ASP A 28 -1.821 23.707 3.860 1.00 0.00 O ATOM 217 OD2 ASP A 28 0.084 22.646 3.650 1.00 0.00 O ATOM 0 H ASP A 28 -0.458 20.183 5.385 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.018 21.547 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.257 20.574 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.763 21.439 2.947 1.00 0.00 H new ATOM 218 N ASP A 29 -3.168 18.532 4.006 1.00 0.00 N ATOM 219 CA ASP A 29 -4.208 17.595 3.488 1.00 0.00 C ATOM 220 C ASP A 29 -3.689 16.122 3.591 1.00 0.00 C ATOM 221 O ASP A 29 -3.485 15.647 4.710 1.00 0.00 O ATOM 222 CB ASP A 29 -4.688 18.088 2.081 1.00 0.00 C ATOM 223 CG ASP A 29 -5.432 19.432 2.022 1.00 0.00 C ATOM 224 OD1 ASP A 29 -6.516 19.554 2.634 1.00 0.00 O ATOM 225 OD2 ASP A 29 -4.929 20.371 1.366 1.00 0.00 O ATOM 0 H ASP A 29 -2.219 18.308 3.706 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.112 17.593 4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.815 18.157 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.340 17.323 1.659 1.00 0.00 H new ATOM 226 N ILE A 30 -3.505 15.398 2.461 1.00 0.00 N ATOM 227 CA ILE A 30 -3.055 13.973 2.407 1.00 0.00 C ATOM 228 C ILE A 30 -4.202 13.031 2.913 1.00 0.00 C ATOM 229 O ILE A 30 -4.377 12.890 4.128 1.00 0.00 O ATOM 230 CB ILE A 30 -1.620 13.666 2.997 1.00 0.00 C ATOM 231 CG1 ILE A 30 -0.435 14.434 2.322 1.00 0.00 C ATOM 232 CG2 ILE A 30 -1.266 12.155 2.938 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.265 15.912 2.695 1.00 0.00 C ATOM 0 H ILE A 30 -3.668 15.793 1.535 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.875 13.746 1.356 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.715 14.017 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.491 13.913 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.560 14.369 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.271 11.998 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.995 11.588 3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.283 11.818 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.590 16.326 2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.165 16.462 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.098 15.999 3.769 1.00 0.00 H new ATOM 234 N ASP A 31 -4.948 12.390 1.990 1.00 0.00 N ATOM 235 CA ASP A 31 -6.108 11.516 2.354 1.00 0.00 C ATOM 236 C ASP A 31 -6.338 10.304 1.404 1.00 0.00 C ATOM 237 O ASP A 31 -6.570 9.196 1.894 1.00 0.00 O ATOM 238 CB ASP A 31 -7.393 12.378 2.477 1.00 0.00 C ATOM 239 CG ASP A 31 -8.518 11.855 3.388 1.00 0.00 C ATOM 240 OD1 ASP A 31 -8.291 10.939 4.209 1.00 0.00 O ATOM 241 OD2 ASP A 31 -9.645 12.391 3.293 1.00 0.00 O ATOM 0 H ASP A 31 -4.777 12.454 0.986 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.858 11.068 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.102 13.365 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.805 12.511 1.477 1.00 0.00 H new ATOM 242 N ASP A 32 -6.306 10.507 0.069 1.00 0.00 N ATOM 243 CA ASP A 32 -6.463 9.420 -0.940 1.00 0.00 C ATOM 244 C ASP A 32 -5.137 8.584 -0.975 1.00 0.00 C ATOM 245 O ASP A 32 -4.050 9.151 -1.151 1.00 0.00 O ATOM 246 CB ASP A 32 -6.651 10.016 -2.371 1.00 0.00 C ATOM 247 CG ASP A 32 -7.692 11.108 -2.708 1.00 0.00 C ATOM 248 OD1 ASP A 32 -8.190 11.821 -1.808 1.00 0.00 O ATOM 249 OD2 ASP A 32 -7.998 11.268 -3.908 1.00 0.00 O ATOM 0 H ASP A 32 -6.171 11.428 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.329 8.818 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.681 10.414 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.865 9.174 -3.029 1.00 0.00 H new ATOM 250 N ILE A 33 -5.231 7.260 -0.782 1.00 0.00 N ATOM 251 CA ILE A 33 -4.034 6.371 -0.639 1.00 0.00 C ATOM 252 C ILE A 33 -4.220 5.246 -1.701 1.00 0.00 C ATOM 253 O ILE A 33 -4.902 4.253 -1.431 1.00 0.00 O ATOM 254 CB ILE A 33 -3.913 5.828 0.833 1.00 0.00 C ATOM 255 CG1 ILE A 33 -3.728 6.925 1.933 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.791 4.768 1.001 1.00 0.00 C ATOM 257 CD1 ILE A 33 -4.443 6.596 3.254 1.00 0.00 C ATOM 0 H ILE A 33 -6.121 6.765 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.097 6.898 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.887 5.365 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.664 7.057 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.102 7.876 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.759 4.433 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.994 3.917 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.831 5.209 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.272 7.400 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.513 6.493 3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.052 5.662 3.657 1.00 0.00 H new ATOM 258 N LYS A 34 -3.638 5.410 -2.906 1.00 0.00 N ATOM 259 CA LYS A 34 -4.098 4.651 -4.102 1.00 0.00 C ATOM 260 C LYS A 34 -3.024 3.696 -4.660 1.00 0.00 C ATOM 261 O LYS A 34 -1.866 4.090 -4.830 1.00 0.00 O ATOM 262 CB LYS A 34 -4.571 5.634 -5.213 1.00 0.00 C ATOM 263 CG LYS A 34 -5.743 6.576 -4.849 1.00 0.00 C ATOM 264 CD LYS A 34 -6.443 7.154 -6.095 1.00 0.00 C ATOM 265 CE LYS A 34 -7.672 8.012 -5.754 1.00 0.00 C ATOM 266 NZ LYS A 34 -8.388 8.449 -6.963 1.00 0.00 N ATOM 0 H LYS A 34 -2.862 6.048 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.933 4.030 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.720 6.247 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.862 5.048 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.470 6.031 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.370 7.394 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.731 7.758 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.749 6.334 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.348 7.441 -5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.358 8.885 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.210 9.025 -6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.751 9.015 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.710 7.616 -7.496 1.00 0.00 H new ATOM 267 N TRP A 35 -3.429 2.441 -4.959 1.00 0.00 N ATOM 268 CA TRP A 35 -2.492 1.384 -5.410 1.00 0.00 C ATOM 269 C TRP A 35 -3.110 0.668 -6.656 1.00 0.00 C ATOM 270 O TRP A 35 -4.115 -0.056 -6.582 1.00 0.00 O ATOM 271 CB TRP A 35 -2.194 0.444 -4.211 1.00 0.00 C ATOM 272 CG TRP A 35 -1.102 0.962 -3.231 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.237 1.557 -1.963 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.247 0.820 -3.368 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.017 1.820 -1.328 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.904 1.358 -2.233 1.00 0.00 C ATOM 277 CE3 TRP A 35 0.964 0.110 -4.330 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.305 1.237 -2.098 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.342 -0.002 -4.197 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.998 0.547 -3.094 1.00 0.00 C ATOM 0 H TRP A 35 -4.400 2.134 -4.896 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.532 1.787 -5.732 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.117 0.286 -3.653 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.884 -0.527 -4.597 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.194 1.790 -1.520 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.146 2.249 -0.417 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.455 -0.346 -5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.823 1.664 -1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.912 -0.519 -4.955 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.069 0.435 -3.009 1.00 0.00 H new ATOM 281 N GLU A 36 -2.457 0.920 -7.804 1.00 0.00 N ATOM 282 CA GLU A 36 -2.833 0.367 -9.141 1.00 0.00 C ATOM 283 C GLU A 36 -1.845 -0.760 -9.582 1.00 0.00 C ATOM 284 O GLU A 36 -1.061 -1.254 -8.772 1.00 0.00 O ATOM 285 CB GLU A 36 -2.989 1.556 -10.147 1.00 0.00 C ATOM 286 CG GLU A 36 -1.704 2.343 -10.515 1.00 0.00 C ATOM 287 CD GLU A 36 -1.852 3.228 -11.752 1.00 0.00 C ATOM 288 OE1 GLU A 36 -1.793 2.695 -12.887 1.00 0.00 O ATOM 289 OE2 GLU A 36 -2.018 4.459 -11.601 1.00 0.00 O ATOM 0 H GLU A 36 -1.636 1.524 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.799 -0.136 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.422 1.165 -11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.709 2.260 -9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.416 2.965 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.892 1.635 -10.682 1.00 0.00 H new ATOM 290 N LYS A 37 -1.901 -1.169 -10.865 1.00 0.00 N ATOM 291 CA LYS A 37 -0.934 -2.138 -11.461 1.00 0.00 C ATOM 292 C LYS A 37 0.137 -1.388 -12.318 1.00 0.00 C ATOM 293 O LYS A 37 -0.138 -0.314 -12.869 1.00 0.00 O ATOM 294 CB LYS A 37 -1.742 -3.163 -12.312 1.00 0.00 C ATOM 295 CG LYS A 37 -1.042 -4.526 -12.501 1.00 0.00 C ATOM 296 CD LYS A 37 -1.847 -5.510 -13.372 1.00 0.00 C ATOM 297 CE LYS A 37 -1.156 -6.881 -13.476 1.00 0.00 C ATOM 298 NZ LYS A 37 -1.870 -7.790 -14.388 1.00 0.00 N ATOM 0 H LYS A 37 -2.611 -0.844 -11.522 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.392 -2.668 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.710 -3.328 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.937 -2.729 -13.293 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.065 -4.365 -12.956 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.868 -4.976 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.844 -5.637 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.975 -5.091 -14.370 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.133 -6.746 -13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.097 -7.333 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.372 -8.702 -14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.839 -7.940 -14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.905 -7.371 -15.339 1.00 0.00 H new ATOM 299 N THR A 38 1.336 -1.989 -12.494 1.00 0.00 N ATOM 300 CA THR A 38 2.229 -1.646 -13.648 1.00 0.00 C ATOM 301 C THR A 38 2.432 -2.917 -14.518 1.00 0.00 C ATOM 302 O THR A 38 3.392 -3.679 -14.366 1.00 0.00 O ATOM 303 CB THR A 38 3.567 -0.920 -13.284 1.00 0.00 C ATOM 304 OG1 THR A 38 4.032 -1.245 -11.979 1.00 0.00 O ATOM 305 CG2 THR A 38 3.449 0.606 -13.415 1.00 0.00 C ATOM 0 H THR A 38 1.711 -2.703 -11.869 1.00 0.00 H new ATOM 0 HA THR A 38 1.717 -0.880 -14.230 1.00 0.00 H new ATOM 0 HB THR A 38 4.297 -1.283 -14.007 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.869 -0.768 -11.802 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.401 1.068 -13.153 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.191 0.864 -14.442 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.672 0.970 -12.743 1.00 0.00 H new ATOM 306 N SER A 39 1.501 -3.087 -15.469 1.00 0.00 N ATOM 307 CA SER A 39 1.618 -4.030 -16.607 1.00 0.00 C ATOM 308 C SER A 39 0.853 -3.353 -17.787 1.00 0.00 C ATOM 309 O SER A 39 1.494 -2.820 -18.698 1.00 0.00 O ATOM 310 CB SER A 39 1.145 -5.454 -16.225 1.00 0.00 C ATOM 311 OG SER A 39 1.309 -6.349 -17.316 1.00 0.00 O ATOM 0 H SER A 39 0.625 -2.565 -15.474 1.00 0.00 H new ATOM 0 HA SER A 39 2.649 -4.207 -16.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.712 -5.812 -15.366 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.097 -5.426 -15.926 1.00 0.00 H new ATOM 0 HG SER A 39 1.006 -7.243 -17.054 1.00 0.00 H new ATOM 312 N ASP A 40 -0.494 -3.306 -17.720 1.00 0.00 N ATOM 313 CA ASP A 40 -1.327 -2.369 -18.526 1.00 0.00 C ATOM 314 C ASP A 40 -1.394 -0.894 -17.991 1.00 0.00 C ATOM 315 O ASP A 40 -1.637 0.004 -18.802 1.00 0.00 O ATOM 316 CB ASP A 40 -2.745 -3.008 -18.613 1.00 0.00 C ATOM 317 CG ASP A 40 -3.751 -2.313 -19.545 1.00 0.00 C ATOM 318 OD1 ASP A 40 -3.698 -2.545 -20.772 1.00 0.00 O ATOM 319 OD2 ASP A 40 -4.592 -1.527 -19.051 1.00 0.00 O ATOM 0 H ASP A 40 -1.041 -3.913 -17.109 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.860 -2.251 -19.504 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.634 -4.042 -18.940 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.170 -3.034 -17.610 1.00 0.00 H new ATOM 320 N LYS A 41 -1.270 -0.657 -16.661 1.00 0.00 N ATOM 321 CA LYS A 41 -1.868 0.501 -15.933 1.00 0.00 C ATOM 322 C LYS A 41 -3.331 0.119 -15.595 1.00 0.00 C ATOM 323 O LYS A 41 -4.228 0.310 -16.422 1.00 0.00 O ATOM 324 CB LYS A 41 -1.786 1.940 -16.518 1.00 0.00 C ATOM 325 CG LYS A 41 -0.356 2.487 -16.666 1.00 0.00 C ATOM 326 CD LYS A 41 -0.333 3.952 -17.154 1.00 0.00 C ATOM 327 CE LYS A 41 1.074 4.548 -17.356 1.00 0.00 C ATOM 328 NZ LYS A 41 1.734 4.069 -18.588 1.00 0.00 N ATOM 0 H LYS A 41 -0.741 -1.277 -16.047 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.213 0.631 -15.072 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.268 1.949 -17.496 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.354 2.613 -15.876 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.157 2.418 -15.707 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.197 1.864 -17.369 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.876 4.014 -18.097 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.872 4.568 -16.434 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.000 5.635 -17.389 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.696 4.297 -16.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.675 4.504 -18.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.833 3.034 -18.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.159 4.331 -19.414 1.00 0.00 H new ATOM 329 N LYS A 42 -3.534 -0.478 -14.406 1.00 0.00 N ATOM 330 CA LYS A 42 -4.827 -1.132 -14.071 1.00 0.00 C ATOM 331 C LYS A 42 -5.166 -0.994 -12.569 1.00 0.00 C ATOM 332 O LYS A 42 -4.565 -1.668 -11.732 1.00 0.00 O ATOM 333 CB LYS A 42 -4.823 -2.595 -14.599 1.00 0.00 C ATOM 334 CG LYS A 42 -6.179 -3.325 -14.543 1.00 0.00 C ATOM 335 CD LYS A 42 -6.090 -4.782 -15.052 1.00 0.00 C ATOM 336 CE LYS A 42 -7.413 -5.572 -15.018 1.00 0.00 C ATOM 337 NZ LYS A 42 -7.917 -5.838 -13.655 1.00 0.00 N ATOM 0 H LYS A 42 -2.834 -0.525 -13.666 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.643 -0.618 -14.579 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.476 -2.589 -15.632 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.097 -3.169 -14.023 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.546 -3.324 -13.517 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.907 -2.778 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.719 -4.770 -16.077 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.352 -5.315 -14.452 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.170 -5.018 -15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.271 -6.522 -15.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.808 -6.372 -13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.214 -6.393 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.085 -4.936 -13.165 1.00 0.00 H new ATOM 338 N LYS A 43 -6.182 -0.168 -12.242 1.00 0.00 N ATOM 339 CA LYS A 43 -6.620 0.084 -10.841 1.00 0.00 C ATOM 340 C LYS A 43 -7.188 -1.184 -10.141 1.00 0.00 C ATOM 341 O LYS A 43 -8.253 -1.698 -10.502 1.00 0.00 O ATOM 342 CB LYS A 43 -7.576 1.302 -10.758 1.00 0.00 C ATOM 343 CG LYS A 43 -8.902 1.249 -11.557 1.00 0.00 C ATOM 344 CD LYS A 43 -9.755 2.524 -11.383 1.00 0.00 C ATOM 345 CE LYS A 43 -11.072 2.513 -12.180 1.00 0.00 C ATOM 346 NZ LYS A 43 -10.871 2.700 -13.631 1.00 0.00 N ATOM 0 H LYS A 43 -6.725 0.345 -12.936 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.726 0.342 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.826 1.458 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.024 2.182 -11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.679 1.108 -12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.481 0.383 -11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.984 2.653 -10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.165 3.388 -11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.586 1.567 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.724 3.302 -11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.792 2.684 -14.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.407 3.615 -13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.273 1.934 -14.000 1.00 0.00 H new ATOM 347 N ILE A 44 -6.428 -1.681 -9.151 1.00 0.00 N ATOM 348 CA ILE A 44 -6.796 -2.886 -8.357 1.00 0.00 C ATOM 349 C ILE A 44 -7.626 -2.419 -7.119 1.00 0.00 C ATOM 350 O ILE A 44 -8.776 -2.843 -6.994 1.00 0.00 O ATOM 351 CB ILE A 44 -5.561 -3.796 -8.009 1.00 0.00 C ATOM 352 CG1 ILE A 44 -4.740 -4.263 -9.255 1.00 0.00 C ATOM 353 CG2 ILE A 44 -5.998 -5.049 -7.202 1.00 0.00 C ATOM 354 CD1 ILE A 44 -3.285 -4.647 -8.952 1.00 0.00 C ATOM 0 H ILE A 44 -5.539 -1.265 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.421 -3.547 -8.957 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.909 -3.161 -7.409 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.242 -5.119 -9.705 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.745 -3.465 -9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.124 -5.659 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.472 -4.736 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.705 -5.633 -7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.792 -4.958 -9.873 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.762 -3.788 -8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.267 -5.468 -8.235 1.00 0.00 H new ATOM 355 N ALA A 45 -7.052 -1.590 -6.213 1.00 0.00 N ATOM 356 CA ALA A 45 -7.773 -1.112 -5.009 1.00 0.00 C ATOM 357 C ALA A 45 -7.121 0.206 -4.506 1.00 0.00 C ATOM 358 O ALA A 45 -5.893 0.347 -4.400 1.00 0.00 O ATOM 359 CB ALA A 45 -7.829 -2.213 -3.936 1.00 0.00 C ATOM 0 H ALA A 45 -6.097 -1.240 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.810 -0.885 -5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.362 -1.841 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.349 -3.084 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.815 -2.495 -3.651 1.00 0.00 H new ATOM 360 N GLN A 46 -7.988 1.211 -4.265 1.00 0.00 N ATOM 361 CA GLN A 46 -7.553 2.624 -4.140 1.00 0.00 C ATOM 362 C GLN A 46 -8.460 3.369 -3.120 1.00 0.00 C ATOM 363 O GLN A 46 -9.690 3.263 -3.169 1.00 0.00 O ATOM 364 CB GLN A 46 -7.610 3.347 -5.524 1.00 0.00 C ATOM 365 CG GLN A 46 -6.884 2.689 -6.729 1.00 0.00 C ATOM 366 CD GLN A 46 -6.668 3.572 -7.969 1.00 0.00 C ATOM 367 OE1 GLN A 46 -5.542 3.729 -8.439 1.00 0.00 O ATOM 368 NE2 GLN A 46 -7.715 4.148 -8.550 1.00 0.00 N ATOM 0 H GLN A 46 -8.993 1.074 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.522 2.636 -3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.659 3.467 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.198 4.348 -5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.911 2.336 -6.389 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.454 1.810 -7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.649 4.019 -8.161 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.585 4.720 -9.385 1.00 0.00 H new ATOM 369 N PHE A 47 -7.851 4.154 -2.211 1.00 0.00 N ATOM 370 CA PHE A 47 -8.591 4.915 -1.161 1.00 0.00 C ATOM 371 C PHE A 47 -8.756 6.412 -1.532 1.00 0.00 C ATOM 372 O PHE A 47 -7.976 6.993 -2.289 1.00 0.00 O ATOM 373 CB PHE A 47 -7.907 4.744 0.230 1.00 0.00 C ATOM 374 CG PHE A 47 -8.494 3.612 1.099 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.625 2.306 0.604 1.00 0.00 C ATOM 376 CD2 PHE A 47 -8.988 3.909 2.377 1.00 0.00 C ATOM 377 CE1 PHE A 47 -9.255 1.329 1.365 1.00 0.00 C ATOM 378 CE2 PHE A 47 -9.604 2.920 3.138 1.00 0.00 C ATOM 379 CZ PHE A 47 -9.735 1.630 2.636 1.00 0.00 C ATOM 0 H PHE A 47 -6.840 4.285 -2.175 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.595 4.496 -1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.845 4.553 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.987 5.683 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.235 2.059 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.890 4.909 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.373 0.331 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.982 3.155 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.208 0.863 3.231 1.00 0.00 H new ATOM 380 N ARG A 48 -9.807 6.982 -0.923 1.00 0.00 N ATOM 381 CA ARG A 48 -10.301 8.365 -1.103 1.00 0.00 C ATOM 382 C ARG A 48 -10.547 8.877 -2.554 1.00 0.00 C ATOM 383 O ARG A 48 -9.626 8.907 -3.368 1.00 0.00 O ATOM 384 CB ARG A 48 -9.797 9.417 -0.076 1.00 0.00 C ATOM 385 CG ARG A 48 -10.875 10.324 0.572 1.00 0.00 C ATOM 386 CD ARG A 48 -11.740 9.668 1.671 1.00 0.00 C ATOM 387 NE ARG A 48 -10.933 9.328 2.870 1.00 0.00 N ATOM 388 CZ ARG A 48 -11.441 8.901 4.038 1.00 0.00 C ATOM 389 NH1 ARG A 48 -12.728 8.630 4.241 1.00 0.00 N ATOM 390 NH2 ARG A 48 -10.606 8.743 5.051 1.00 0.00 N ATOM 0 H ARG A 48 -10.372 6.463 -0.251 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.336 8.219 -0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.270 8.891 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.067 10.056 -0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.379 11.195 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.536 10.687 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.546 10.346 1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.206 8.765 1.277 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.920 9.426 2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.399 8.743 3.481 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.043 8.309 5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.613 8.944 4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.955 8.420 5.954 1.00 0.00 H new ATOM 391 N LYS A 49 -11.782 9.308 -2.868 1.00 0.00 N ATOM 392 CA LYS A 49 -12.068 10.112 -4.089 1.00 0.00 C ATOM 393 C LYS A 49 -13.385 10.902 -3.831 1.00 0.00 C ATOM 394 O LYS A 49 -14.458 10.516 -4.304 1.00 0.00 O ATOM 395 CB LYS A 49 -12.093 9.212 -5.362 1.00 0.00 C ATOM 396 CG LYS A 49 -12.135 9.990 -6.696 1.00 0.00 C ATOM 397 CD LYS A 49 -12.227 9.071 -7.934 1.00 0.00 C ATOM 398 CE LYS A 49 -12.347 9.815 -9.282 1.00 0.00 C ATOM 399 NZ LYS A 49 -11.091 10.477 -9.691 1.00 0.00 N ATOM 0 H LYS A 49 -12.605 9.117 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.276 10.833 -4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.210 8.572 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.962 8.556 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.991 10.665 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.241 10.609 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.343 8.434 -7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.089 8.414 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.647 9.108 -10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.138 10.562 -9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.233 10.959 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.815 11.174 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.339 9.765 -9.790 1.00 0.00 H new ATOM 400 N GLU A 50 -13.295 12.000 -3.037 1.00 0.00 N ATOM 401 CA GLU A 50 -14.472 12.784 -2.532 1.00 0.00 C ATOM 402 C GLU A 50 -15.567 11.901 -1.842 1.00 0.00 C ATOM 403 O GLU A 50 -16.695 11.784 -2.332 1.00 0.00 O ATOM 404 CB GLU A 50 -15.031 13.768 -3.603 1.00 0.00 C ATOM 405 CG GLU A 50 -14.050 14.861 -4.081 1.00 0.00 C ATOM 406 CD GLU A 50 -14.648 15.775 -5.158 1.00 0.00 C ATOM 407 OE1 GLU A 50 -14.536 15.446 -6.358 1.00 0.00 O ATOM 408 OE2 GLU A 50 -15.231 16.822 -4.803 1.00 0.00 O ATOM 0 H GLU A 50 -12.401 12.376 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.093 13.412 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.353 13.190 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.918 14.254 -3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.745 15.466 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.150 14.387 -4.473 1.00 0.00 H new ATOM 409 N LYS A 51 -15.169 11.214 -0.748 1.00 0.00 N ATOM 410 CA LYS A 51 -15.831 9.979 -0.232 1.00 0.00 C ATOM 411 C LYS A 51 -16.114 8.880 -1.294 1.00 0.00 C ATOM 412 O LYS A 51 -17.111 8.914 -2.022 1.00 0.00 O ATOM 413 CB LYS A 51 -16.978 10.147 0.789 1.00 0.00 C ATOM 414 CG LYS A 51 -18.152 11.080 0.420 1.00 0.00 C ATOM 415 CD LYS A 51 -19.248 11.149 1.506 1.00 0.00 C ATOM 416 CE LYS A 51 -20.374 12.166 1.239 1.00 0.00 C ATOM 417 NZ LYS A 51 -21.238 11.819 0.094 1.00 0.00 N ATOM 0 H LYS A 51 -14.368 11.500 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.021 9.594 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -17.390 9.159 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.544 10.510 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.766 12.083 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.598 10.738 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.692 10.160 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.778 11.393 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.991 12.252 2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.930 13.146 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.970 12.549 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.663 11.764 -0.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.691 10.899 0.267 1.00 0.00 H new ATOM 418 N GLU A 52 -15.182 7.923 -1.338 1.00 0.00 N ATOM 419 CA GLU A 52 -15.216 6.765 -2.268 1.00 0.00 C ATOM 420 C GLU A 52 -14.090 5.786 -1.836 1.00 0.00 C ATOM 421 O GLU A 52 -12.907 6.145 -1.826 1.00 0.00 O ATOM 422 CB GLU A 52 -15.064 7.183 -3.768 1.00 0.00 C ATOM 423 CG GLU A 52 -15.387 6.096 -4.817 1.00 0.00 C ATOM 424 CD GLU A 52 -16.863 5.682 -4.849 1.00 0.00 C ATOM 425 OE1 GLU A 52 -17.687 6.431 -5.421 1.00 0.00 O ATOM 426 OE2 GLU A 52 -17.207 4.616 -4.293 1.00 0.00 O ATOM 0 H GLU A 52 -14.367 7.921 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.192 6.284 -2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.713 8.040 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.039 7.519 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.101 6.461 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.777 5.216 -4.613 1.00 0.00 H new ATOM 427 N THR A 53 -14.478 4.545 -1.486 1.00 0.00 N ATOM 428 CA THR A 53 -13.553 3.526 -0.923 1.00 0.00 C ATOM 429 C THR A 53 -13.632 2.259 -1.827 1.00 0.00 C ATOM 430 O THR A 53 -14.679 1.608 -1.910 1.00 0.00 O ATOM 431 CB THR A 53 -13.920 3.266 0.573 1.00 0.00 C ATOM 432 OG1 THR A 53 -13.824 4.480 1.315 1.00 0.00 O ATOM 433 CG2 THR A 53 -13.011 2.246 1.277 1.00 0.00 C ATOM 0 H THR A 53 -15.438 4.215 -1.583 1.00 0.00 H new ATOM 0 HA THR A 53 -12.516 3.862 -0.922 1.00 0.00 H new ATOM 0 HB THR A 53 -14.933 2.865 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.057 4.310 2.252 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.334 2.124 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.072 1.287 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.981 2.603 1.258 1.00 0.00 H new ATOM 434 N PHE A 54 -12.506 1.926 -2.486 1.00 0.00 N ATOM 435 CA PHE A 54 -12.402 0.769 -3.418 1.00 0.00 C ATOM 436 C PHE A 54 -11.459 -0.290 -2.777 1.00 0.00 C ATOM 437 O PHE A 54 -10.237 -0.118 -2.757 1.00 0.00 O ATOM 438 CB PHE A 54 -11.932 1.302 -4.808 1.00 0.00 C ATOM 439 CG PHE A 54 -11.740 0.329 -5.991 1.00 0.00 C ATOM 440 CD1 PHE A 54 -12.585 -0.770 -6.201 1.00 0.00 C ATOM 441 CD2 PHE A 54 -10.732 0.601 -6.928 1.00 0.00 C ATOM 442 CE1 PHE A 54 -12.406 -1.594 -7.309 1.00 0.00 C ATOM 443 CE2 PHE A 54 -10.561 -0.224 -8.039 1.00 0.00 C ATOM 444 CZ PHE A 54 -11.396 -1.321 -8.227 1.00 0.00 C ATOM 0 H PHE A 54 -11.635 2.449 -2.392 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.356 0.270 -3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.652 2.057 -5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.982 1.813 -4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.379 -0.979 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.085 1.454 -6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.052 -2.447 -7.456 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.780 -0.011 -8.754 1.00 0.00 H new ATOM 0 HZ PHE A 54 -11.260 -1.961 -9.086 1.00 0.00 H new ATOM 445 N LYS A 55 -12.047 -1.383 -2.253 1.00 0.00 N ATOM 446 CA LYS A 55 -11.301 -2.565 -1.729 1.00 0.00 C ATOM 447 C LYS A 55 -12.260 -3.795 -1.625 1.00 0.00 C ATOM 448 O LYS A 55 -13.459 -3.656 -1.355 1.00 0.00 O ATOM 449 CB LYS A 55 -10.535 -2.331 -0.391 1.00 0.00 C ATOM 450 CG LYS A 55 -11.366 -1.853 0.826 1.00 0.00 C ATOM 451 CD LYS A 55 -10.708 -2.083 2.204 1.00 0.00 C ATOM 452 CE LYS A 55 -10.705 -3.555 2.661 1.00 0.00 C ATOM 453 NZ LYS A 55 -10.337 -3.676 4.083 1.00 0.00 N ATOM 0 H LYS A 55 -13.059 -1.480 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.513 -2.761 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.040 -3.263 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.751 -1.596 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.569 -0.788 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.329 -2.364 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.680 -1.722 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.231 -1.483 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.692 -3.989 2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.003 -4.125 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.031 -4.650 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.560 -3.019 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.160 -3.444 4.675 1.00 0.00 H new ATOM 454 N GLU A 56 -11.703 -5.010 -1.822 1.00 0.00 N ATOM 455 CA GLU A 56 -12.487 -6.280 -1.789 1.00 0.00 C ATOM 456 C GLU A 56 -11.644 -7.367 -1.058 1.00 0.00 C ATOM 457 O GLU A 56 -10.502 -7.640 -1.445 1.00 0.00 O ATOM 458 CB GLU A 56 -12.873 -6.768 -3.215 1.00 0.00 C ATOM 459 CG GLU A 56 -13.813 -5.829 -4.009 1.00 0.00 C ATOM 460 CD GLU A 56 -14.248 -6.416 -5.352 1.00 0.00 C ATOM 461 OE1 GLU A 56 -13.476 -6.324 -6.333 1.00 0.00 O ATOM 462 OE2 GLU A 56 -15.366 -6.969 -5.437 1.00 0.00 O ATOM 0 H GLU A 56 -10.709 -5.146 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.419 -6.097 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.959 -6.910 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.351 -7.744 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.697 -5.616 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.308 -4.878 -4.181 1.00 0.00 H new ATOM 463 N LYS A 57 -12.231 -7.993 -0.008 1.00 0.00 N ATOM 464 CA LYS A 57 -11.590 -9.085 0.797 1.00 0.00 C ATOM 465 C LYS A 57 -10.430 -8.588 1.719 1.00 0.00 C ATOM 466 O LYS A 57 -9.831 -7.530 1.492 1.00 0.00 O ATOM 467 CB LYS A 57 -11.191 -10.353 -0.029 1.00 0.00 C ATOM 468 CG LYS A 57 -12.357 -11.137 -0.677 1.00 0.00 C ATOM 469 CD LYS A 57 -11.927 -12.306 -1.591 1.00 0.00 C ATOM 470 CE LYS A 57 -11.195 -13.464 -0.883 1.00 0.00 C ATOM 471 NZ LYS A 57 -10.946 -14.590 -1.806 1.00 0.00 N ATOM 0 H LYS A 57 -13.170 -7.759 0.314 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.388 -9.415 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.503 -10.047 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.644 -11.031 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.995 -11.530 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.962 -10.443 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.814 -12.706 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.278 -11.913 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.248 -13.105 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.790 -13.810 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.452 -15.352 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.852 -14.947 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.358 -14.265 -2.600 1.00 0.00 H new ATOM 472 N ASP A 58 -10.079 -9.390 2.748 1.00 0.00 N ATOM 473 CA ASP A 58 -8.797 -9.208 3.512 1.00 0.00 C ATOM 474 C ASP A 58 -7.504 -9.522 2.721 1.00 0.00 C ATOM 475 O ASP A 58 -6.502 -8.811 2.859 1.00 0.00 O ATOM 476 CB ASP A 58 -8.675 -9.984 4.855 1.00 0.00 C ATOM 477 CG ASP A 58 -9.911 -10.056 5.758 1.00 0.00 C ATOM 478 OD1 ASP A 58 -10.125 -9.132 6.572 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.672 -11.041 5.657 1.00 0.00 O ATOM 0 H ASP A 58 -10.651 -10.167 3.077 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.876 -8.140 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.370 -11.005 4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.867 -9.532 5.430 1.00 0.00 H new ATOM 480 N THR A 59 -7.550 -10.594 1.908 1.00 0.00 N ATOM 481 CA THR A 59 -6.456 -10.990 0.973 1.00 0.00 C ATOM 482 C THR A 59 -5.888 -9.872 0.037 1.00 0.00 C ATOM 483 O THR A 59 -4.734 -9.988 -0.380 1.00 0.00 O ATOM 484 CB THR A 59 -6.812 -12.253 0.140 1.00 0.00 C ATOM 485 OG1 THR A 59 -7.858 -11.969 -0.790 1.00 0.00 O ATOM 486 CG2 THR A 59 -7.201 -13.508 0.948 1.00 0.00 C ATOM 0 H THR A 59 -8.352 -11.223 1.874 1.00 0.00 H new ATOM 0 HA THR A 59 -5.643 -11.217 1.662 1.00 0.00 H new ATOM 0 HB THR A 59 -5.878 -12.498 -0.365 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.066 -12.776 -1.305 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.428 -14.325 0.264 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.372 -13.796 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.078 -13.291 1.558 1.00 0.00 H new ATOM 487 N TYR A 60 -6.662 -8.806 -0.249 1.00 0.00 N ATOM 488 CA TYR A 60 -6.100 -7.522 -0.709 1.00 0.00 C ATOM 489 C TYR A 60 -6.781 -6.418 0.142 1.00 0.00 C ATOM 490 O TYR A 60 -7.947 -6.072 -0.072 1.00 0.00 O ATOM 491 CB TYR A 60 -6.313 -7.346 -2.232 1.00 0.00 C ATOM 492 CG TYR A 60 -5.250 -6.487 -2.926 1.00 0.00 C ATOM 493 CD1 TYR A 60 -5.069 -5.137 -2.598 1.00 0.00 C ATOM 494 CD2 TYR A 60 -4.478 -7.049 -3.946 1.00 0.00 C ATOM 495 CE1 TYR A 60 -4.203 -4.354 -3.352 1.00 0.00 C ATOM 496 CE2 TYR A 60 -3.627 -6.255 -4.704 1.00 0.00 C ATOM 497 CZ TYR A 60 -3.528 -4.893 -4.434 1.00 0.00 C ATOM 498 OH TYR A 60 -2.810 -4.051 -5.239 1.00 0.00 O ATOM 0 H TYR A 60 -7.679 -8.810 -0.169 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.020 -7.471 -0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.329 -8.330 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.292 -6.897 -2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.600 -4.706 -1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.543 -8.108 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.055 -3.316 -3.092 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.044 -6.693 -5.501 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.914 -4.422 -5.384 1.00 0.00 H new ATOM 499 N LYS A 61 -6.019 -5.885 1.108 1.00 0.00 N ATOM 500 CA LYS A 61 -6.479 -4.820 2.035 1.00 0.00 C ATOM 501 C LYS A 61 -5.648 -3.547 1.736 1.00 0.00 C ATOM 502 O LYS A 61 -4.457 -3.609 1.427 1.00 0.00 O ATOM 503 CB LYS A 61 -6.396 -5.366 3.494 1.00 0.00 C ATOM 504 CG LYS A 61 -6.637 -4.377 4.658 1.00 0.00 C ATOM 505 CD LYS A 61 -6.699 -5.092 6.023 1.00 0.00 C ATOM 506 CE LYS A 61 -7.001 -4.154 7.203 1.00 0.00 C ATOM 507 NZ LYS A 61 -7.112 -4.897 8.473 1.00 0.00 N ATOM 0 H LYS A 61 -5.057 -6.178 1.276 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.522 -4.535 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.120 -6.175 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.408 -5.806 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.839 -3.635 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.569 -3.839 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.465 -5.867 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.748 -5.593 6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.212 -3.407 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.930 -3.617 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.316 -4.233 9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.882 -5.593 8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.217 -5.390 8.666 1.00 0.00 H new ATOM 508 N LEU A 62 -6.321 -2.392 1.817 1.00 0.00 N ATOM 509 CA LEU A 62 -5.680 -1.058 1.702 1.00 0.00 C ATOM 510 C LEU A 62 -5.920 -0.371 3.082 1.00 0.00 C ATOM 511 O LEU A 62 -7.018 0.123 3.353 1.00 0.00 O ATOM 512 CB LEU A 62 -6.257 -0.295 0.471 1.00 0.00 C ATOM 513 CG LEU A 62 -5.625 -0.418 -0.935 1.00 0.00 C ATOM 514 CD1 LEU A 62 -4.230 0.212 -1.087 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.570 -1.830 -1.480 1.00 0.00 C ATOM 0 H LEU A 62 -7.329 -2.347 1.965 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.608 -1.093 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.300 -0.596 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.253 0.765 0.727 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.329 0.166 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.877 0.071 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.286 1.278 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.537 -0.266 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.112 -1.821 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.978 -2.455 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.581 -2.232 -1.552 1.00 0.00 H new ATOM 516 N PHE A 63 -4.894 -0.376 3.962 1.00 0.00 N ATOM 517 CA PHE A 63 -4.983 0.170 5.348 1.00 0.00 C ATOM 518 C PHE A 63 -5.253 1.705 5.434 1.00 0.00 C ATOM 519 O PHE A 63 -4.974 2.467 4.500 1.00 0.00 O ATOM 520 CB PHE A 63 -3.625 -0.170 6.026 1.00 0.00 C ATOM 521 CG PHE A 63 -3.550 -0.084 7.563 1.00 0.00 C ATOM 522 CD1 PHE A 63 -4.187 -1.047 8.350 1.00 0.00 C ATOM 523 CD2 PHE A 63 -2.818 0.935 8.185 1.00 0.00 C ATOM 524 CE1 PHE A 63 -4.088 -1.000 9.738 1.00 0.00 C ATOM 525 CE2 PHE A 63 -2.710 0.972 9.574 1.00 0.00 C ATOM 526 CZ PHE A 63 -3.348 0.008 10.350 1.00 0.00 C ATOM 0 H PHE A 63 -3.976 -0.758 3.737 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.843 -0.281 5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.348 -1.183 5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.868 0.499 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.759 -1.832 7.879 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.336 1.694 7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.585 -1.746 10.340 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.130 1.750 10.049 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.269 0.042 11.427 1.00 0.00 H new ATOM 527 N LYS A 64 -5.781 2.130 6.597 1.00 0.00 N ATOM 528 CA LYS A 64 -6.214 3.530 6.828 1.00 0.00 C ATOM 529 C LYS A 64 -5.090 4.590 6.991 1.00 0.00 C ATOM 530 O LYS A 64 -5.136 5.608 6.292 1.00 0.00 O ATOM 531 CB LYS A 64 -7.244 3.579 7.999 1.00 0.00 C ATOM 532 CG LYS A 64 -8.338 4.657 7.842 1.00 0.00 C ATOM 533 CD LYS A 64 -9.481 4.216 6.902 1.00 0.00 C ATOM 534 CE LYS A 64 -10.448 5.330 6.469 1.00 0.00 C ATOM 535 NZ LYS A 64 -11.269 5.862 7.572 1.00 0.00 N ATOM 0 H LYS A 64 -5.921 1.520 7.402 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.688 3.837 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.722 2.604 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.708 3.756 8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.751 4.895 8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.888 5.571 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.042 3.772 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.055 3.433 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.875 6.146 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.106 4.945 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.896 6.608 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.842 5.095 7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.649 6.258 8.307 1.00 0.00 H new ATOM 536 N ASN A 65 -4.093 4.371 7.875 1.00 0.00 N ATOM 537 CA ASN A 65 -2.958 5.288 8.091 1.00 0.00 C ATOM 538 C ASN A 65 -2.105 5.608 6.823 1.00 0.00 C ATOM 539 O ASN A 65 -1.682 6.753 6.646 1.00 0.00 O ATOM 540 CB ASN A 65 -2.039 4.819 9.259 1.00 0.00 C ATOM 541 CG ASN A 65 -2.668 4.846 10.672 1.00 0.00 C ATOM 542 OD1 ASN A 65 -3.341 3.905 11.092 1.00 0.00 O ATOM 543 ND2 ASN A 65 -2.461 5.914 11.431 1.00 0.00 N ATOM 0 H ASN A 65 -4.055 3.540 8.466 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.438 6.228 8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.710 3.801 9.049 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.148 5.447 9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.860 5.959 12.368 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.902 6.691 11.077 1.00 0.00 H new ATOM 544 N GLY A 66 -1.882 4.590 5.970 1.00 0.00 N ATOM 545 CA GLY A 66 -1.210 4.778 4.664 1.00 0.00 C ATOM 546 C GLY A 66 -0.458 3.522 4.192 1.00 0.00 C ATOM 547 O GLY A 66 0.771 3.557 4.089 1.00 0.00 O ATOM 0 H GLY A 66 -2.157 3.626 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.953 5.054 3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.509 5.609 4.738 1.00 0.00 H new ATOM 548 N THR A 67 -1.185 2.414 3.938 1.00 0.00 N ATOM 549 CA THR A 67 -0.568 1.071 3.727 1.00 0.00 C ATOM 550 C THR A 67 -1.496 0.193 2.814 1.00 0.00 C ATOM 551 O THR A 67 -2.612 0.561 2.438 1.00 0.00 O ATOM 552 CB THR A 67 -0.146 0.493 5.138 1.00 0.00 C ATOM 553 OG1 THR A 67 1.128 1.021 5.483 1.00 0.00 O ATOM 554 CG2 THR A 67 -0.062 -1.029 5.331 1.00 0.00 C ATOM 0 H THR A 67 -2.203 2.415 3.872 1.00 0.00 H new ATOM 0 HA THR A 67 0.361 1.102 3.158 1.00 0.00 H new ATOM 0 HB THR A 67 -0.976 0.801 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.266 1.873 5.018 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.241 -1.250 6.355 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.038 -1.475 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.671 -1.444 4.639 1.00 0.00 H new ATOM 555 N LEU A 68 -0.975 -0.985 2.426 1.00 0.00 N ATOM 556 CA LEU A 68 -1.715 -2.055 1.727 1.00 0.00 C ATOM 557 C LEU A 68 -1.231 -3.406 2.322 1.00 0.00 C ATOM 558 O LEU A 68 -0.113 -3.822 2.034 1.00 0.00 O ATOM 559 CB LEU A 68 -1.440 -1.871 0.210 1.00 0.00 C ATOM 560 CG LEU A 68 -1.897 -2.908 -0.855 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.370 -2.486 -2.236 1.00 0.00 C ATOM 562 CD2 LEU A 68 -1.549 -4.375 -0.647 1.00 0.00 C ATOM 0 H LEU A 68 0.001 -1.227 2.594 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.797 -2.026 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.884 -0.917 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.361 -1.766 0.099 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.982 -2.880 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.689 -3.211 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.766 -1.503 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.281 -2.444 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.940 -4.963 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.466 -4.489 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.992 -4.725 0.285 1.00 0.00 H new ATOM 563 N LYS A 69 -2.076 -4.136 3.073 1.00 0.00 N ATOM 564 CA LYS A 69 -1.738 -5.484 3.610 1.00 0.00 C ATOM 565 C LYS A 69 -2.352 -6.594 2.702 1.00 0.00 C ATOM 566 O LYS A 69 -3.573 -6.745 2.637 1.00 0.00 O ATOM 567 CB LYS A 69 -2.207 -5.497 5.090 1.00 0.00 C ATOM 568 CG LYS A 69 -1.958 -6.805 5.868 1.00 0.00 C ATOM 569 CD LYS A 69 -1.913 -6.685 7.412 1.00 0.00 C ATOM 570 CE LYS A 69 -3.166 -6.133 8.124 1.00 0.00 C ATOM 571 NZ LYS A 69 -3.266 -4.662 8.076 1.00 0.00 N ATOM 0 H LYS A 69 -3.011 -3.817 3.329 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.669 -5.698 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.706 -4.684 5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.275 -5.282 5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.741 -7.516 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.013 -7.230 5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.704 -7.674 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.069 -6.047 7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.055 -6.565 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.155 -6.455 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.957 -4.338 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.336 -4.244 8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.576 -4.366 7.128 1.00 0.00 H new ATOM 572 N ILE A 70 -1.502 -7.384 2.017 1.00 0.00 N ATOM 573 CA ILE A 70 -1.938 -8.489 1.118 1.00 0.00 C ATOM 574 C ILE A 70 -1.992 -9.761 2.027 1.00 0.00 C ATOM 575 O ILE A 70 -0.928 -10.313 2.316 1.00 0.00 O ATOM 576 CB ILE A 70 -0.969 -8.702 -0.122 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.440 -7.452 -0.887 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.637 -9.661 -1.121 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.740 -7.651 -1.870 1.00 0.00 C ATOM 0 H ILE A 70 -0.489 -7.279 2.067 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.904 -8.260 0.669 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.066 -9.102 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.273 -7.025 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.138 -6.710 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.978 -9.813 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.827 -10.618 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.580 -9.233 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.998 -6.696 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.603 -8.039 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.451 -8.358 -2.647 1.00 0.00 H new ATOM 580 N LYS A 71 -3.175 -10.205 2.516 1.00 0.00 N ATOM 581 CA LYS A 71 -3.233 -11.227 3.603 1.00 0.00 C ATOM 582 C LYS A 71 -3.094 -12.684 3.077 1.00 0.00 C ATOM 583 O LYS A 71 -4.066 -13.312 2.645 1.00 0.00 O ATOM 584 CB LYS A 71 -4.516 -11.086 4.471 1.00 0.00 C ATOM 585 CG LYS A 71 -4.595 -9.865 5.417 1.00 0.00 C ATOM 586 CD LYS A 71 -3.759 -9.953 6.712 1.00 0.00 C ATOM 587 CE LYS A 71 -4.267 -10.984 7.739 1.00 0.00 C ATOM 588 NZ LYS A 71 -3.452 -10.983 8.969 1.00 0.00 N ATOM 0 H LYS A 71 -4.086 -9.884 2.188 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.367 -11.026 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.375 -11.052 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.618 -11.988 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.278 -8.981 4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.638 -9.711 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.731 -10.200 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.740 -8.970 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.305 -10.765 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.251 -11.979 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.826 -11.690 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.467 -11.217 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.488 -10.041 9.409 1.00 0.00 H new ATOM 589 N HIS A 72 -1.867 -13.222 3.208 1.00 0.00 N ATOM 590 CA HIS A 72 -1.581 -14.681 3.274 1.00 0.00 C ATOM 591 C HIS A 72 -2.035 -15.510 2.044 1.00 0.00 C ATOM 592 O HIS A 72 -3.108 -16.113 2.107 1.00 0.00 O ATOM 593 CB HIS A 72 -2.006 -15.256 4.664 1.00 0.00 C ATOM 594 CG HIS A 72 -1.257 -16.517 5.098 1.00 0.00 C ATOM 595 ND1 HIS A 72 -1.564 -17.813 4.707 1.00 0.00 N ATOM 596 CD2 HIS A 72 -0.102 -16.521 5.908 1.00 0.00 C ATOM 597 CE1 HIS A 72 -0.528 -18.494 5.292 1.00 0.00 C ATOM 598 NE2 HIS A 72 0.389 -17.808 6.045 1.00 0.00 N ATOM 0 H HIS A 72 -1.025 -12.650 3.273 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.499 -14.793 3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.858 -14.485 5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.073 -15.476 4.638 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.337 -15.643 6.358 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.435 -19.562 5.161 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.201 -18.149 6.559 1.00 0.00 H new ATOM 599 N LEU A 73 -1.221 -15.540 0.960 1.00 0.00 N ATOM 600 CA LEU A 73 -1.335 -16.554 -0.129 1.00 0.00 C ATOM 601 C LEU A 73 -0.266 -16.345 -1.255 1.00 0.00 C ATOM 602 O LEU A 73 0.268 -15.260 -1.478 1.00 0.00 O ATOM 603 CB LEU A 73 -2.772 -16.788 -0.725 1.00 0.00 C ATOM 604 CG LEU A 73 -3.448 -18.104 -0.236 1.00 0.00 C ATOM 605 CD1 LEU A 73 -4.971 -18.075 -0.473 1.00 0.00 C ATOM 606 CD2 LEU A 73 -2.843 -19.377 -0.864 1.00 0.00 C ATOM 0 H LEU A 73 -0.469 -14.867 0.812 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.117 -17.488 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.408 -15.943 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.706 -16.807 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.250 -18.151 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.412 -19.008 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.408 -17.238 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.171 -17.958 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.362 -20.255 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.954 -19.336 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.785 -19.440 -0.610 1.00 0.00 H new ATOM 607 N LYS A 74 -0.057 -17.470 -1.958 1.00 0.00 N ATOM 608 CA LYS A 74 0.781 -17.692 -3.175 1.00 0.00 C ATOM 609 C LYS A 74 1.246 -16.548 -4.129 1.00 0.00 C ATOM 610 O LYS A 74 0.848 -15.387 -4.058 1.00 0.00 O ATOM 611 CB LYS A 74 0.063 -18.825 -3.987 1.00 0.00 C ATOM 612 CG LYS A 74 -1.303 -18.480 -4.640 1.00 0.00 C ATOM 613 CD LYS A 74 -1.878 -19.532 -5.617 1.00 0.00 C ATOM 614 CE LYS A 74 -2.451 -20.823 -4.997 1.00 0.00 C ATOM 615 NZ LYS A 74 -1.424 -21.801 -4.588 1.00 0.00 N ATOM 0 H LYS A 74 -0.509 -18.338 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 74 1.760 -17.908 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.740 -19.155 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.087 -19.674 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.031 -18.316 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.198 -17.536 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.667 -19.057 -6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.090 -19.812 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.054 -20.560 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.120 -21.294 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.835 -22.756 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.628 -21.768 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.084 -21.569 -3.633 1.00 0.00 H new ATOM 616 N THR A 75 2.116 -16.973 -5.060 1.00 0.00 N ATOM 617 CA THR A 75 2.796 -16.120 -6.058 1.00 0.00 C ATOM 618 C THR A 75 1.869 -15.289 -6.994 1.00 0.00 C ATOM 619 O THR A 75 2.060 -14.078 -7.155 1.00 0.00 O ATOM 620 CB THR A 75 3.861 -16.978 -6.819 1.00 0.00 C ATOM 621 OG1 THR A 75 4.753 -17.596 -5.895 1.00 0.00 O ATOM 622 CG2 THR A 75 4.728 -16.222 -7.844 1.00 0.00 C ATOM 0 H THR A 75 2.377 -17.955 -5.144 1.00 0.00 H new ATOM 0 HA THR A 75 3.299 -15.326 -5.505 1.00 0.00 H new ATOM 0 HB THR A 75 3.258 -17.696 -7.376 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.412 -18.131 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.429 -16.915 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.088 -15.785 -8.610 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.282 -15.430 -7.339 1.00 0.00 H new ATOM 623 N ASP A 76 0.870 -15.963 -7.573 1.00 0.00 N ATOM 624 CA ASP A 76 -0.238 -15.307 -8.339 1.00 0.00 C ATOM 625 C ASP A 76 -1.273 -14.492 -7.499 1.00 0.00 C ATOM 626 O ASP A 76 -1.941 -13.622 -8.068 1.00 0.00 O ATOM 627 CB ASP A 76 -0.980 -16.354 -9.219 1.00 0.00 C ATOM 628 CG ASP A 76 -0.137 -17.024 -10.316 1.00 0.00 C ATOM 629 OD1 ASP A 76 0.114 -16.386 -11.363 1.00 0.00 O ATOM 630 OD2 ASP A 76 0.278 -18.190 -10.133 1.00 0.00 O ATOM 0 H ASP A 76 0.791 -16.979 -7.534 1.00 0.00 H new ATOM 0 HA ASP A 76 0.268 -14.561 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.378 -17.132 -8.567 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.833 -15.866 -9.690 1.00 0.00 H new ATOM 631 N ASP A 77 -1.398 -14.737 -6.180 1.00 0.00 N ATOM 632 CA ASP A 77 -2.134 -13.845 -5.245 1.00 0.00 C ATOM 633 C ASP A 77 -1.433 -12.492 -4.876 1.00 0.00 C ATOM 634 O ASP A 77 -2.133 -11.641 -4.315 1.00 0.00 O ATOM 635 CB ASP A 77 -2.499 -14.676 -3.972 1.00 0.00 C ATOM 636 CG ASP A 77 -3.830 -15.437 -4.077 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.906 -16.426 -4.838 1.00 0.00 O ATOM 638 OD2 ASP A 77 -4.806 -15.050 -3.394 1.00 0.00 O ATOM 0 H ASP A 77 -0.994 -15.557 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.025 -13.507 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.699 -15.390 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.544 -14.005 -3.114 1.00 0.00 H new ATOM 639 N GLN A 78 -0.126 -12.257 -5.171 1.00 0.00 N ATOM 640 CA GLN A 78 0.558 -10.980 -4.792 1.00 0.00 C ATOM 641 C GLN A 78 1.554 -10.508 -5.889 1.00 0.00 C ATOM 642 O GLN A 78 2.412 -11.272 -6.339 1.00 0.00 O ATOM 643 CB GLN A 78 1.155 -11.063 -3.363 1.00 0.00 C ATOM 644 CG GLN A 78 2.185 -12.173 -3.060 1.00 0.00 C ATOM 645 CD GLN A 78 2.568 -12.352 -1.576 1.00 0.00 C ATOM 646 OE1 GLN A 78 3.741 -12.316 -1.208 1.00 0.00 O ATOM 647 NE2 GLN A 78 1.604 -12.586 -0.694 1.00 0.00 N ATOM 0 H GLN A 78 0.472 -12.921 -5.663 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.189 -10.188 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.626 -10.105 -3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.327 -11.179 -2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.790 -13.119 -3.430 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.092 -11.964 -3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.631 -12.616 -0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.836 -12.736 0.288 1.00 0.00 H new ATOM 648 N ASP A 79 1.384 -9.246 -6.359 1.00 0.00 N ATOM 649 CA ASP A 79 1.783 -8.841 -7.741 1.00 0.00 C ATOM 650 C ASP A 79 2.364 -7.384 -7.867 1.00 0.00 C ATOM 651 O ASP A 79 2.580 -6.668 -6.883 1.00 0.00 O ATOM 652 CB ASP A 79 0.537 -9.030 -8.658 1.00 0.00 C ATOM 653 CG ASP A 79 0.165 -10.476 -9.011 1.00 0.00 C ATOM 654 OD1 ASP A 79 0.859 -11.097 -9.846 1.00 0.00 O ATOM 655 OD2 ASP A 79 -0.821 -10.995 -8.446 1.00 0.00 O ATOM 0 H ASP A 79 0.976 -8.491 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 79 2.614 -9.477 -8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.320 -8.566 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.710 -8.485 -9.586 1.00 0.00 H new ATOM 656 N ILE A 80 2.626 -6.977 -9.133 1.00 0.00 N ATOM 657 CA ILE A 80 3.311 -5.716 -9.522 1.00 0.00 C ATOM 658 C ILE A 80 2.334 -4.509 -9.433 1.00 0.00 C ATOM 659 O ILE A 80 1.227 -4.556 -9.977 1.00 0.00 O ATOM 660 CB ILE A 80 3.974 -5.875 -10.944 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.010 -7.041 -10.998 1.00 0.00 C ATOM 662 CG2 ILE A 80 4.627 -4.567 -11.458 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.585 -7.417 -12.376 1.00 0.00 C ATOM 0 H ILE A 80 2.357 -7.537 -9.942 1.00 0.00 H new ATOM 0 HA ILE A 80 4.117 -5.507 -8.819 1.00 0.00 H new ATOM 0 HB ILE A 80 3.147 -6.121 -11.610 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.843 -6.781 -10.345 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.539 -7.929 -10.576 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.066 -4.741 -12.441 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.869 -3.787 -11.532 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.406 -4.252 -10.764 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.290 -8.241 -12.264 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.774 -7.721 -13.038 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.098 -6.556 -12.803 1.00 0.00 H new ATOM 664 N TYR A 81 2.792 -3.435 -8.757 1.00 0.00 N ATOM 665 CA TYR A 81 1.962 -2.235 -8.467 1.00 0.00 C ATOM 666 C TYR A 81 2.664 -0.905 -8.887 1.00 0.00 C ATOM 667 O TYR A 81 3.876 -0.842 -9.105 1.00 0.00 O ATOM 668 CB TYR A 81 1.584 -2.200 -6.948 1.00 0.00 C ATOM 669 CG TYR A 81 0.712 -3.313 -6.295 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.083 -4.170 -7.058 1.00 0.00 C ATOM 671 CD2 TYR A 81 0.846 -3.580 -4.923 1.00 0.00 C ATOM 672 CE1 TYR A 81 -0.475 -5.406 -6.556 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.406 -4.796 -4.404 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.186 -5.738 -5.237 1.00 0.00 C ATOM 675 OH TYR A 81 -0.553 -6.965 -4.750 1.00 0.00 O ATOM 0 H TYR A 81 3.744 -3.370 -8.396 1.00 0.00 H new ATOM 0 HA TYR A 81 1.055 -2.315 -9.066 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.520 -2.165 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.072 -1.254 -6.772 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.396 -3.870 -8.047 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.290 -2.843 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.002 -6.105 -7.188 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.525 -5.007 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.515 -6.969 -4.566 1.00 0.00 H new ATOM 676 N LYS A 82 1.885 0.191 -8.951 1.00 0.00 N ATOM 677 CA LYS A 82 2.417 1.580 -8.833 1.00 0.00 C ATOM 678 C LYS A 82 1.530 2.285 -7.766 1.00 0.00 C ATOM 679 O LYS A 82 0.297 2.259 -7.833 1.00 0.00 O ATOM 680 CB LYS A 82 2.378 2.312 -10.211 1.00 0.00 C ATOM 681 CG LYS A 82 2.676 3.838 -10.213 1.00 0.00 C ATOM 682 CD LYS A 82 2.343 4.613 -11.502 1.00 0.00 C ATOM 683 CE LYS A 82 3.327 4.417 -12.668 1.00 0.00 C ATOM 684 NZ LYS A 82 3.021 5.304 -13.809 1.00 0.00 N ATOM 0 H LYS A 82 0.875 0.150 -9.085 1.00 0.00 H new ATOM 0 HA LYS A 82 3.464 1.590 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.096 1.827 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.390 2.160 -10.647 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.122 4.293 -9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.736 3.977 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.348 4.317 -11.836 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.296 5.676 -11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.342 4.610 -12.321 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.295 3.379 -12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.709 5.138 -14.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.062 5.103 -14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.077 6.296 -13.502 1.00 0.00 H new ATOM 685 N VAL A 83 2.189 2.991 -6.836 1.00 0.00 N ATOM 686 CA VAL A 83 1.510 3.920 -5.896 1.00 0.00 C ATOM 687 C VAL A 83 1.411 5.347 -6.503 1.00 0.00 C ATOM 688 O VAL A 83 2.357 5.873 -7.100 1.00 0.00 O ATOM 689 CB VAL A 83 2.222 3.897 -4.510 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.646 4.485 -4.456 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.373 4.489 -3.365 1.00 0.00 C ATOM 0 H VAL A 83 3.200 2.941 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 83 0.486 3.585 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 83 2.337 2.824 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.032 4.411 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.295 3.929 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.619 5.532 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.934 4.439 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.134 5.529 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.450 3.918 -3.264 1.00 0.00 H new ATOM 692 N SER A 84 0.275 5.988 -6.220 1.00 0.00 N ATOM 693 CA SER A 84 0.204 7.461 -6.140 1.00 0.00 C ATOM 694 C SER A 84 -0.654 7.839 -4.904 1.00 0.00 C ATOM 695 O SER A 84 -1.692 7.241 -4.607 1.00 0.00 O ATOM 696 CB SER A 84 -0.388 8.097 -7.400 1.00 0.00 C ATOM 697 OG SER A 84 0.333 7.749 -8.578 1.00 0.00 O ATOM 0 H SER A 84 -0.612 5.516 -6.041 1.00 0.00 H new ATOM 0 HA SER A 84 1.220 7.846 -6.048 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.426 7.783 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.393 9.181 -7.288 1.00 0.00 H new ATOM 0 HG SER A 84 1.133 7.239 -8.333 1.00 0.00 H new ATOM 698 N ILE A 85 -0.192 8.886 -4.207 1.00 0.00 N ATOM 699 CA ILE A 85 -0.878 9.439 -3.007 1.00 0.00 C ATOM 700 C ILE A 85 -1.416 10.817 -3.464 1.00 0.00 C ATOM 701 O ILE A 85 -0.632 11.698 -3.820 1.00 0.00 O ATOM 702 CB ILE A 85 0.090 9.495 -1.767 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.514 8.065 -1.308 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.523 10.263 -0.564 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.728 8.004 -0.377 1.00 0.00 C ATOM 0 H ILE A 85 0.666 9.381 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.699 8.815 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 85 0.971 10.041 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.332 7.598 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.727 7.466 -2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.187 10.271 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.745 11.288 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.442 9.770 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.937 6.966 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.594 8.434 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.518 8.568 0.532 1.00 0.00 H new ATOM 706 N TYR A 86 -2.747 10.989 -3.442 1.00 0.00 N ATOM 707 CA TYR A 86 -3.400 12.287 -3.763 1.00 0.00 C ATOM 708 C TYR A 86 -3.935 12.907 -2.436 1.00 0.00 C ATOM 709 O TYR A 86 -4.327 12.208 -1.497 1.00 0.00 O ATOM 710 CB TYR A 86 -4.504 12.135 -4.846 1.00 0.00 C ATOM 711 CG TYR A 86 -4.279 11.351 -6.167 1.00 0.00 C ATOM 712 CD1 TYR A 86 -3.019 11.113 -6.736 1.00 0.00 C ATOM 713 CD2 TYR A 86 -5.418 10.915 -6.854 1.00 0.00 C ATOM 714 CE1 TYR A 86 -2.907 10.475 -7.971 1.00 0.00 C ATOM 715 CE2 TYR A 86 -5.303 10.270 -8.084 1.00 0.00 C ATOM 716 CZ TYR A 86 -4.047 10.045 -8.637 1.00 0.00 C ATOM 717 OH TYR A 86 -3.931 9.402 -9.843 1.00 0.00 O ATOM 0 H TYR A 86 -3.404 10.245 -3.205 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.670 12.967 -4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.361 11.676 -4.354 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.802 13.144 -5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.128 11.427 -6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.396 11.080 -6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.933 10.315 -8.410 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.190 9.945 -8.608 1.00 0.00 H new ATOM 0 HH TYR A 86 -4.822 9.166 -10.175 1.00 0.00 H new ATOM 718 N ASP A 87 -3.974 14.247 -2.383 1.00 0.00 N ATOM 719 CA ASP A 87 -4.542 15.004 -1.228 1.00 0.00 C ATOM 720 C ASP A 87 -6.075 14.791 -1.023 1.00 0.00 C ATOM 721 O ASP A 87 -6.746 14.149 -1.836 1.00 0.00 O ATOM 722 CB ASP A 87 -4.229 16.523 -1.411 1.00 0.00 C ATOM 723 CG ASP A 87 -2.758 16.956 -1.395 1.00 0.00 C ATOM 724 OD1 ASP A 87 -2.062 16.709 -0.385 1.00 0.00 O ATOM 725 OD2 ASP A 87 -2.301 17.562 -2.391 1.00 0.00 O ATOM 0 H ASP A 87 -3.618 14.845 -3.129 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.067 14.614 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.662 16.843 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.748 17.069 -0.623 1.00 0.00 H new ATOM 726 N THR A 88 -6.638 15.390 0.046 1.00 0.00 N ATOM 727 CA THR A 88 -8.115 15.618 0.175 1.00 0.00 C ATOM 728 C THR A 88 -8.864 16.183 -1.080 1.00 0.00 C ATOM 729 O THR A 88 -9.943 15.692 -1.425 1.00 0.00 O ATOM 730 CB THR A 88 -8.532 16.384 1.479 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.496 17.795 1.285 1.00 0.00 O ATOM 732 CG2 THR A 88 -7.853 16.042 2.817 1.00 0.00 C ATOM 0 H THR A 88 -6.100 15.731 0.843 1.00 0.00 H new ATOM 0 HA THR A 88 -8.470 14.591 0.257 1.00 0.00 H new ATOM 0 HB THR A 88 -9.542 15.998 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.772 18.181 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.267 16.670 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.030 14.994 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.781 16.220 2.737 1.00 0.00 H new ATOM 733 N LYS A 89 -8.259 17.176 -1.761 1.00 0.00 N ATOM 734 CA LYS A 89 -8.710 17.663 -3.090 1.00 0.00 C ATOM 735 C LYS A 89 -8.620 16.629 -4.267 1.00 0.00 C ATOM 736 O LYS A 89 -9.488 16.671 -5.141 1.00 0.00 O ATOM 737 CB LYS A 89 -7.874 18.920 -3.468 1.00 0.00 C ATOM 738 CG LYS A 89 -8.074 20.180 -2.589 1.00 0.00 C ATOM 739 CD LYS A 89 -7.143 21.357 -2.950 1.00 0.00 C ATOM 740 CE LYS A 89 -5.679 21.159 -2.508 1.00 0.00 C ATOM 741 NZ LYS A 89 -4.848 22.323 -2.869 1.00 0.00 N ATOM 0 H LYS A 89 -7.439 17.669 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.773 17.875 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.819 18.648 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.106 19.185 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.109 20.510 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.913 19.911 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.168 21.509 -4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.530 22.267 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.640 21.002 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.274 20.261 -2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.869 22.160 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.867 22.457 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.222 23.174 -2.403 1.00 0.00 H new ATOM 742 N GLY A 90 -7.573 15.772 -4.333 1.00 0.00 N ATOM 743 CA GLY A 90 -7.209 15.050 -5.576 1.00 0.00 C ATOM 744 C GLY A 90 -6.110 15.803 -6.352 1.00 0.00 C ATOM 745 O GLY A 90 -6.370 16.347 -7.429 1.00 0.00 O ATOM 0 H GLY A 90 -6.966 15.564 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.862 14.047 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.091 14.936 -6.206 1.00 0.00 H new ATOM 746 N LYS A 91 -4.898 15.849 -5.768 1.00 0.00 N ATOM 747 CA LYS A 91 -3.754 16.635 -6.292 1.00 0.00 C ATOM 748 C LYS A 91 -2.504 15.772 -5.973 1.00 0.00 C ATOM 749 O LYS A 91 -2.188 15.546 -4.800 1.00 0.00 O ATOM 750 CB LYS A 91 -3.639 18.041 -5.626 1.00 0.00 C ATOM 751 CG LYS A 91 -4.768 19.067 -5.893 1.00 0.00 C ATOM 752 CD LYS A 91 -4.897 19.568 -7.348 1.00 0.00 C ATOM 753 CE LYS A 91 -5.917 20.712 -7.544 1.00 0.00 C ATOM 754 NZ LYS A 91 -7.321 20.298 -7.337 1.00 0.00 N ATOM 0 H LYS A 91 -4.679 15.339 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.871 16.834 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.569 17.895 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.699 18.488 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.717 18.618 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.609 19.929 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.919 19.908 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.184 18.730 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.680 21.521 -6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.811 21.113 -8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.957 21.007 -7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.482 19.377 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.513 20.218 -6.318 1.00 0.00 H new ATOM 755 N ASN A 92 -1.819 15.271 -7.019 1.00 0.00 N ATOM 756 CA ASN A 92 -0.785 14.210 -6.868 1.00 0.00 C ATOM 757 C ASN A 92 0.477 14.702 -6.099 1.00 0.00 C ATOM 758 O ASN A 92 1.104 15.709 -6.440 1.00 0.00 O ATOM 759 CB ASN A 92 -0.485 13.582 -8.256 1.00 0.00 C ATOM 760 CG ASN A 92 0.564 12.451 -8.259 1.00 0.00 C ATOM 761 OD1 ASN A 92 0.341 11.386 -7.695 1.00 0.00 O ATOM 762 ND2 ASN A 92 1.734 12.645 -8.847 1.00 0.00 N ATOM 0 H ASN A 92 -1.958 15.579 -7.981 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.178 13.418 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.416 13.192 -8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.145 14.371 -8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.442 11.911 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.928 13.529 -9.319 1.00 0.00 H new ATOM 763 N VAL A 93 0.792 13.941 -5.041 1.00 0.00 N ATOM 764 CA VAL A 93 1.777 14.313 -3.990 1.00 0.00 C ATOM 765 C VAL A 93 3.100 13.526 -4.233 1.00 0.00 C ATOM 766 O VAL A 93 4.136 14.105 -4.564 1.00 0.00 O ATOM 767 CB VAL A 93 1.178 14.155 -2.537 1.00 0.00 C ATOM 768 CG1 VAL A 93 2.052 14.847 -1.472 1.00 0.00 C ATOM 769 CG2 VAL A 93 -0.270 14.650 -2.340 1.00 0.00 C ATOM 0 H VAL A 93 0.365 13.029 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 93 2.016 15.374 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 93 1.169 13.072 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.602 14.713 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.049 14.407 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.124 15.911 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.572 14.490 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.326 15.713 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.937 14.097 -3.002 1.00 0.00 H new ATOM 770 N LEU A 94 3.015 12.206 -4.019 1.00 0.00 N ATOM 771 CA LEU A 94 4.172 11.286 -3.970 1.00 0.00 C ATOM 772 C LEU A 94 3.867 10.090 -4.911 1.00 0.00 C ATOM 773 O LEU A 94 2.919 9.329 -4.682 1.00 0.00 O ATOM 774 CB LEU A 94 4.389 10.880 -2.482 1.00 0.00 C ATOM 775 CG LEU A 94 5.664 10.065 -2.136 1.00 0.00 C ATOM 776 CD1 LEU A 94 6.976 10.815 -2.454 1.00 0.00 C ATOM 777 CD2 LEU A 94 5.641 9.674 -0.643 1.00 0.00 C ATOM 0 H LEU A 94 2.124 11.733 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 94 5.100 11.738 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.401 11.791 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.523 10.300 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 94 5.648 9.177 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.827 10.188 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.014 11.046 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.014 11.741 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.537 9.102 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.611 10.576 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.758 9.068 -0.439 1.00 0.00 H new ATOM 778 N GLU A 95 4.680 9.965 -5.977 1.00 0.00 N ATOM 779 CA GLU A 95 4.496 8.946 -7.043 1.00 0.00 C ATOM 780 C GLU A 95 5.753 8.032 -7.067 1.00 0.00 C ATOM 781 O GLU A 95 6.880 8.506 -7.265 1.00 0.00 O ATOM 782 CB GLU A 95 4.236 9.681 -8.391 1.00 0.00 C ATOM 783 CG GLU A 95 3.702 8.824 -9.560 1.00 0.00 C ATOM 784 CD GLU A 95 4.744 7.946 -10.258 1.00 0.00 C ATOM 785 OE1 GLU A 95 5.585 8.494 -11.010 1.00 0.00 O ATOM 786 OE2 GLU A 95 4.734 6.711 -10.064 1.00 0.00 O ATOM 0 H GLU A 95 5.488 10.568 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 95 3.634 8.305 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.524 10.486 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.169 10.147 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.904 8.183 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.255 9.487 -10.301 1.00 0.00 H new ATOM 787 N LYS A 96 5.540 6.719 -6.870 1.00 0.00 N ATOM 788 CA LYS A 96 6.621 5.696 -6.865 1.00 0.00 C ATOM 789 C LYS A 96 6.078 4.373 -7.500 1.00 0.00 C ATOM 790 O LYS A 96 4.870 4.145 -7.610 1.00 0.00 O ATOM 791 CB LYS A 96 7.157 5.560 -5.407 1.00 0.00 C ATOM 792 CG LYS A 96 8.408 4.676 -5.158 1.00 0.00 C ATOM 793 CD LYS A 96 9.710 5.075 -5.887 1.00 0.00 C ATOM 794 CE LYS A 96 10.272 6.482 -5.602 1.00 0.00 C ATOM 795 NZ LYS A 96 10.735 6.667 -4.214 1.00 0.00 N ATOM 0 H LYS A 96 4.612 6.328 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 96 7.474 5.983 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.381 6.562 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.347 5.169 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.609 4.669 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.161 3.653 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.478 4.346 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.536 4.991 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.102 6.676 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.502 7.222 -5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.099 7.634 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.941 6.513 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.492 5.984 -4.007 1.00 0.00 H new ATOM 796 N ILE A 97 6.996 3.510 -7.959 1.00 0.00 N ATOM 797 CA ILE A 97 6.676 2.275 -8.730 1.00 0.00 C ATOM 798 C ILE A 97 7.193 1.057 -7.883 1.00 0.00 C ATOM 799 O ILE A 97 8.128 1.170 -7.077 1.00 0.00 O ATOM 800 CB ILE A 97 7.201 2.353 -10.219 1.00 0.00 C ATOM 801 CG1 ILE A 97 6.933 3.729 -10.917 1.00 0.00 C ATOM 802 CG2 ILE A 97 6.606 1.196 -11.068 1.00 0.00 C ATOM 803 CD1 ILE A 97 7.525 3.968 -12.313 1.00 0.00 C ATOM 0 H ILE A 97 7.996 3.641 -7.809 1.00 0.00 H new ATOM 0 HA ILE A 97 5.602 2.149 -8.870 1.00 0.00 H new ATOM 0 HB ILE A 97 8.284 2.250 -10.158 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.853 3.861 -10.988 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.307 4.513 -10.259 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.978 1.266 -12.090 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.903 0.239 -10.638 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.519 1.270 -11.072 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.251 4.965 -12.659 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.611 3.886 -12.267 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.134 3.223 -13.006 1.00 0.00 H new ATOM 804 N PHE A 98 6.513 -0.098 -7.998 1.00 0.00 N ATOM 805 CA PHE A 98 6.679 -1.244 -7.054 1.00 0.00 C ATOM 806 C PHE A 98 6.472 -2.611 -7.763 1.00 0.00 C ATOM 807 O PHE A 98 5.883 -2.685 -8.845 1.00 0.00 O ATOM 808 CB PHE A 98 5.652 -1.050 -5.898 1.00 0.00 C ATOM 809 CG PHE A 98 6.159 -0.111 -4.799 1.00 0.00 C ATOM 810 CD1 PHE A 98 7.005 -0.596 -3.799 1.00 0.00 C ATOM 811 CD2 PHE A 98 5.815 1.246 -4.808 1.00 0.00 C ATOM 812 CE1 PHE A 98 7.457 0.247 -2.792 1.00 0.00 C ATOM 813 CE2 PHE A 98 6.294 2.091 -3.815 1.00 0.00 C ATOM 814 CZ PHE A 98 7.102 1.590 -2.799 1.00 0.00 C ATOM 0 H PHE A 98 5.835 -0.274 -8.739 1.00 0.00 H new ATOM 0 HA PHE A 98 7.697 -1.257 -6.664 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.723 -0.653 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.418 -2.020 -5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.309 -1.632 -3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.177 1.636 -5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.084 -0.142 -2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.038 3.140 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.453 2.245 -2.016 1.00 0.00 H new ATOM 815 N ASP A 99 6.973 -3.710 -7.151 1.00 0.00 N ATOM 816 CA ASP A 99 6.889 -5.065 -7.768 1.00 0.00 C ATOM 817 C ASP A 99 6.845 -6.120 -6.640 1.00 0.00 C ATOM 818 O ASP A 99 7.907 -6.319 -6.033 1.00 0.00 O ATOM 819 CB ASP A 99 8.095 -5.394 -8.708 1.00 0.00 C ATOM 820 CG ASP A 99 8.262 -4.573 -9.994 1.00 0.00 C ATOM 821 OD1 ASP A 99 8.830 -3.459 -9.926 1.00 0.00 O ATOM 822 OD2 ASP A 99 7.858 -5.042 -11.077 1.00 0.00 O ATOM 0 H ASP A 99 7.435 -3.692 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 99 5.988 -5.082 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.010 -5.287 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.018 -6.444 -8.992 1.00 0.00 H new ATOM 823 N LEU A 100 5.726 -6.855 -6.354 1.00 0.00 N ATOM 824 CA LEU A 100 5.795 -7.928 -5.322 1.00 0.00 C ATOM 825 C LEU A 100 6.404 -9.227 -5.941 1.00 0.00 C ATOM 826 O LEU A 100 5.724 -9.985 -6.639 1.00 0.00 O ATOM 827 CB LEU A 100 4.446 -8.170 -4.587 1.00 0.00 C ATOM 828 CG LEU A 100 4.534 -8.617 -3.094 1.00 0.00 C ATOM 829 CD1 LEU A 100 5.433 -9.846 -2.842 1.00 0.00 C ATOM 830 CD2 LEU A 100 4.934 -7.447 -2.174 1.00 0.00 C ATOM 0 H LEU A 100 4.816 -6.732 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 100 6.466 -7.586 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.863 -7.250 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.889 -8.928 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 100 3.523 -8.938 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.434 -10.084 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.051 -10.698 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.450 -9.625 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.985 -7.796 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.909 -7.063 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.192 -6.653 -2.252 1.00 0.00 H new ATOM 831 N LYS A 101 7.704 -9.436 -5.660 1.00 0.00 N ATOM 832 CA LYS A 101 8.474 -10.629 -6.097 1.00 0.00 C ATOM 833 C LYS A 101 8.638 -11.619 -4.908 1.00 0.00 C ATOM 834 O LYS A 101 8.682 -11.233 -3.735 1.00 0.00 O ATOM 835 CB LYS A 101 9.863 -10.204 -6.643 1.00 0.00 C ATOM 836 CG LYS A 101 9.849 -9.315 -7.908 1.00 0.00 C ATOM 837 CD LYS A 101 11.257 -9.056 -8.475 1.00 0.00 C ATOM 838 CE LYS A 101 11.227 -8.145 -9.718 1.00 0.00 C ATOM 839 NZ LYS A 101 12.569 -8.005 -10.312 1.00 0.00 N ATOM 0 H LYS A 101 8.261 -8.776 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 101 7.928 -11.128 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.394 -9.671 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.437 -11.105 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.237 -9.791 -8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.378 -8.361 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.878 -8.597 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.722 -10.007 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.541 -8.558 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.845 -7.162 -9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.618 -7.119 -10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.283 -7.987 -9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.754 -8.810 -10.944 1.00 0.00 H new ATOM 840 N ILE A 102 8.732 -12.918 -5.238 1.00 0.00 N ATOM 841 CA ILE A 102 8.684 -14.026 -4.238 1.00 0.00 C ATOM 842 C ILE A 102 10.110 -14.636 -4.117 1.00 0.00 C ATOM 843 O ILE A 102 10.751 -14.986 -5.120 1.00 0.00 O ATOM 844 CB ILE A 102 7.580 -15.066 -4.638 1.00 0.00 C ATOM 845 CG1 ILE A 102 6.149 -14.463 -4.764 1.00 0.00 C ATOM 846 CG2 ILE A 102 7.493 -16.316 -3.726 1.00 0.00 C ATOM 847 CD1 ILE A 102 5.521 -13.870 -3.491 1.00 0.00 C ATOM 0 H ILE A 102 8.843 -13.241 -6.199 1.00 0.00 H new ATOM 0 HA ILE A 102 8.399 -13.661 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 102 7.929 -15.380 -5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.178 -13.681 -5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.485 -15.243 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.701 -16.974 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.444 -16.848 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.273 -16.006 -2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.527 -13.486 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.444 -14.645 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.147 -13.058 -3.121 1.00 0.00 H new ATOM 848 N GLN A 103 10.576 -14.790 -2.868 1.00 0.00 N ATOM 849 CA GLN A 103 11.920 -15.354 -2.550 1.00 0.00 C ATOM 850 C GLN A 103 11.964 -16.905 -2.727 1.00 0.00 C ATOM 851 O GLN A 103 10.955 -17.602 -2.567 1.00 0.00 O ATOM 852 CB GLN A 103 12.313 -14.954 -1.101 1.00 0.00 C ATOM 853 CG GLN A 103 12.579 -13.443 -0.894 1.00 0.00 C ATOM 854 CD GLN A 103 12.921 -13.076 0.553 1.00 0.00 C ATOM 855 OE1 GLN A 103 12.041 -12.828 1.378 1.00 0.00 O ATOM 856 NE2 GLN A 103 14.200 -13.026 0.897 1.00 0.00 N ATOM 0 H GLN A 103 10.039 -14.530 -2.041 1.00 0.00 H new ATOM 0 HA GLN A 103 12.640 -14.938 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.516 -15.264 -0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 103 13.207 -15.508 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 103 13.399 -13.134 -1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.698 -12.881 -1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 103 14.922 -13.233 0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 103 14.462 -12.781 1.852 1.00 0.00 H new ATOM 857 N GLU A 104 13.158 -17.424 -3.078 1.00 0.00 N ATOM 858 CA GLU A 104 13.380 -18.874 -3.311 1.00 0.00 C ATOM 859 C GLU A 104 14.891 -19.170 -3.105 1.00 0.00 C ATOM 860 O GLU A 104 15.712 -19.025 -4.015 1.00 0.00 O ATOM 861 CB GLU A 104 12.792 -19.423 -4.650 1.00 0.00 C ATOM 862 CG GLU A 104 12.869 -18.584 -5.952 1.00 0.00 C ATOM 863 CD GLU A 104 14.259 -18.433 -6.570 1.00 0.00 C ATOM 864 OE1 GLU A 104 14.806 -19.435 -7.080 1.00 0.00 O ATOM 865 OE2 GLU A 104 14.817 -17.313 -6.544 1.00 0.00 O ATOM 0 H GLU A 104 13.995 -16.856 -3.209 1.00 0.00 H new ATOM 0 HA GLU A 104 12.802 -19.436 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.286 -20.373 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.739 -19.643 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.211 -19.038 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.476 -17.589 -5.744 1.00 0.00 H new ATOM 866 N ARG A 105 15.232 -19.584 -1.869 1.00 0.00 N ATOM 867 CA ARG A 105 16.611 -19.978 -1.448 1.00 0.00 C ATOM 868 C ARG A 105 17.530 -18.745 -1.267 1.00 0.00 C ATOM 869 O ARG A 105 17.963 -18.144 -2.276 1.00 0.00 O ATOM 870 CB ARG A 105 17.290 -21.112 -2.276 1.00 0.00 C ATOM 871 CG ARG A 105 16.536 -22.467 -2.287 1.00 0.00 C ATOM 872 CD ARG A 105 17.170 -23.551 -3.180 1.00 0.00 C ATOM 873 NE ARG A 105 18.460 -24.072 -2.654 1.00 0.00 N ATOM 874 CZ ARG A 105 19.665 -23.898 -3.234 1.00 0.00 C ATOM 875 NH1 ARG A 105 19.862 -23.237 -4.374 1.00 0.00 N ATOM 876 NH2 ARG A 105 20.721 -24.414 -2.634 1.00 0.00 N ATOM 877 OXT ARG A 105 17.816 -18.378 -0.106 1.00 0.00 O ATOM 0 H ARG A 105 14.551 -19.659 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 105 16.462 -20.444 -0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 105 17.404 -20.770 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 105 18.293 -21.276 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 105 16.480 -22.844 -1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 105 15.512 -22.295 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 105 16.469 -24.379 -3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 105 17.332 -23.141 -4.177 1.00 0.00 H new ATOM 0 HE ARG A 105 18.431 -24.604 -1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 105 19.071 -22.823 -4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 105 20.804 -23.145 -4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 105 20.611 -24.926 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 105 21.647 -24.301 -3.046 1.00 0.00 H new