USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 995 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 112 SER OG : rot 180:sc= -0.0305 USER MOD Set 2.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 46 LYS NZ :NH3+ -154:sc= 0.641 (180deg=0) USER MOD Set 3.2: A 93 TYR OH : rot 30:sc= 0.582 USER MOD Set 4.1: A 59 THR OG1 : rot 180:sc= 1.03 USER MOD Set 4.2: A 109 LYS NZ :NH3+ 169:sc= 0.945 (180deg=-0.311) USER MOD Set 5.1: A 32 THR OG1 : rot -170:sc= -0.368 USER MOD Set 5.2: A 33 LYS NZ :NH3+ -127:sc= 0.262 (180deg=0) USER MOD Set 6.1: A 28 THR OG1 : rot 180:sc= -0.0895 USER MOD Set 6.2: A 31 GLN : amide:sc= -1.74 K(o=-1.8,f=-0.12) USER MOD Set 7.1: A 9 TYR OH : rot -35:sc= 1.27 USER MOD Set 7.2: A 11 GLN : amide:sc= 0.992 K(o=2.3,f=-1.7) USER MOD Single : A 8 TYR OH : rot -101:sc= 0.00503 USER MOD Single : A 13 THR OG1 : rot 71:sc= 0.054 USER MOD Single : A 16 THR OG1 : rot 90:sc= -0.157 USER MOD Single : A 17 SER OG : rot 144:sc= 1.26 USER MOD Single : A 20 ASN : amide:sc= -0.824 K(o=-0.82,f=-2.4) USER MOD Single : A 26 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.767 K(o=0.77,f=-6!) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.26) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 165:sc= -0.82 (180deg=-1.62) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 64:sc= 0.774 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 150:sc= 0.0245 USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 0.774 (180deg=0.181) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.031 (180deg=-0.29) USER MOD Single : A 65 ASN : amide:sc= -1.94 K(o=-1.9,f=-3.2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.055 K(o=-0.055,f=-2.6!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 167:sc= -0.0901 (180deg=-0.678) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 26:sc= 0.333 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 84 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.12) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -145:sc= 0.164 (180deg=-1.77!) USER MOD Single : A 98 MET CE :methyl 153:sc= -1.83 (180deg=-5.16!) USER MOD Single : A 102 GLN : amide:sc= 0.945 K(o=0.95,f=0) USER MOD Single : A 104 ASN : amide:sc=-0.00208 K(o=-0.0021,f=-0.62) USER MOD Single : A 105 SER OG : rot -91:sc= 1.24 USER MOD Single : A 107 GLN : amide:sc= 0.538 K(o=0.54,f=-1.4) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -77:sc= -0.737 USER MOD Single : A 121 GLN : amide:sc= -0.0539 K(o=-0.054,f=-3.1!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -20.831 10.508 -1.069 1.00 0.00 N ATOM 34 CA ALA A 4 -19.840 9.487 -0.805 1.00 0.00 C ATOM 35 C ALA A 4 -19.717 8.594 -2.052 1.00 0.00 C ATOM 36 O ALA A 4 -20.448 7.603 -2.143 1.00 0.00 O ATOM 37 CB ALA A 4 -20.290 8.681 0.421 1.00 0.00 C ATOM 0 HA ALA A 4 -18.863 9.922 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.555 7.905 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.379 9.345 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.256 8.219 0.218 1.00 0.00 H new ATOM 43 N LEU A 5 -18.838 8.919 -3.013 1.00 0.00 N ATOM 44 CA LEU A 5 -18.550 8.109 -4.160 1.00 0.00 C ATOM 45 C LEU A 5 -17.967 6.767 -3.748 1.00 0.00 C ATOM 46 O LEU A 5 -17.434 6.623 -2.643 1.00 0.00 O ATOM 47 CB LEU A 5 -17.481 8.878 -4.939 1.00 0.00 C ATOM 48 CG LEU A 5 -17.829 10.314 -5.329 1.00 0.00 C ATOM 49 CD1 LEU A 5 -18.944 10.350 -6.380 1.00 0.00 C ATOM 50 CD2 LEU A 5 -18.049 11.367 -4.252 1.00 0.00 C ATOM 0 H LEU A 5 -18.301 9.786 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.455 7.919 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.570 8.897 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.254 8.322 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.875 10.646 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.169 11.385 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.619 9.817 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -19.838 9.873 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.286 12.322 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -18.875 11.063 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.144 11.471 -3.654 1.00 0.00 H new ATOM 62 N PRO A 6 -18.023 5.772 -4.630 1.00 0.00 N ATOM 63 CA PRO A 6 -17.183 4.603 -4.497 1.00 0.00 C ATOM 64 C PRO A 6 -15.723 4.962 -4.809 1.00 0.00 C ATOM 65 O PRO A 6 -15.428 6.039 -5.323 1.00 0.00 O ATOM 66 CB PRO A 6 -17.782 3.606 -5.485 1.00 0.00 C ATOM 67 CG PRO A 6 -18.280 4.486 -6.617 1.00 0.00 C ATOM 68 CD PRO A 6 -18.688 5.783 -5.916 1.00 0.00 C ATOM 0 HA PRO A 6 -17.159 4.187 -3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.039 2.888 -5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.593 3.033 -5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.502 4.660 -7.360 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.122 4.030 -7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.390 6.653 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.770 5.836 -5.795 1.00 0.00 H new ATOM 76 N LEU A 7 -14.828 4.034 -4.505 1.00 0.00 N ATOM 77 CA LEU A 7 -13.396 4.085 -4.757 1.00 0.00 C ATOM 78 C LEU A 7 -13.069 4.472 -6.206 1.00 0.00 C ATOM 79 O LEU A 7 -13.096 3.630 -7.111 1.00 0.00 O ATOM 80 CB LEU A 7 -12.810 2.724 -4.400 1.00 0.00 C ATOM 81 CG LEU A 7 -11.291 2.542 -4.513 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.562 3.383 -3.468 1.00 0.00 C ATOM 83 CD2 LEU A 7 -10.996 1.064 -4.242 1.00 0.00 C ATOM 0 H LEU A 7 -15.102 3.166 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.950 4.864 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.098 2.495 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.284 1.978 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.953 2.854 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.487 3.237 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.800 4.436 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.878 3.078 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.923 0.888 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.342 0.801 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.513 0.449 -4.978 1.00 0.00 H new ATOM 95 N TYR A 8 -12.709 5.737 -6.408 1.00 0.00 N ATOM 96 CA TYR A 8 -12.314 6.312 -7.681 1.00 0.00 C ATOM 97 C TYR A 8 -10.791 6.391 -7.832 1.00 0.00 C ATOM 98 O TYR A 8 -10.327 6.861 -8.866 1.00 0.00 O ATOM 99 CB TYR A 8 -13.023 7.659 -7.886 1.00 0.00 C ATOM 100 CG TYR A 8 -12.821 8.708 -6.802 1.00 0.00 C ATOM 101 CD1 TYR A 8 -11.656 9.495 -6.781 1.00 0.00 C ATOM 102 CD2 TYR A 8 -13.830 8.936 -5.846 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.492 10.493 -5.802 1.00 0.00 C ATOM 104 CE2 TYR A 8 -13.682 9.938 -4.872 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.508 10.723 -4.846 1.00 0.00 C ATOM 106 OH TYR A 8 -12.359 11.699 -3.909 1.00 0.00 O ATOM 0 H TYR A 8 -12.685 6.418 -5.649 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.638 5.649 -8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.687 8.080 -8.834 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.092 7.470 -7.982 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.884 9.333 -7.519 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.727 8.334 -5.862 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.588 11.084 -5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.463 10.107 -4.146 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.083 11.297 -3.059 1.00 0.00 H new ATOM 116 N TYR A 9 -9.994 5.928 -6.862 1.00 0.00 N ATOM 117 CA TYR A 9 -8.545 5.781 -7.012 1.00 0.00 C ATOM 118 C TYR A 9 -8.001 4.785 -5.990 1.00 0.00 C ATOM 119 O TYR A 9 -8.250 4.955 -4.793 1.00 0.00 O ATOM 120 CB TYR A 9 -7.878 7.129 -6.826 1.00 0.00 C ATOM 121 CG TYR A 9 -6.372 7.158 -6.996 1.00 0.00 C ATOM 122 CD1 TYR A 9 -5.802 7.243 -8.282 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.549 7.172 -5.856 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.412 7.406 -8.427 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.177 7.432 -5.988 1.00 0.00 C ATOM 126 CZ TYR A 9 -3.608 7.569 -7.275 1.00 0.00 C ATOM 127 OH TYR A 9 -2.282 7.856 -7.389 1.00 0.00 O ATOM 0 H TYR A 9 -10.340 5.643 -5.946 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.329 5.404 -8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.317 7.830 -7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.118 7.495 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.432 7.183 -9.157 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.972 6.983 -4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.963 7.407 -9.409 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.557 7.527 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.915 7.400 -8.175 1.00 0.00 H new ATOM 137 N LEU A 10 -7.224 3.798 -6.442 1.00 0.00 N ATOM 138 CA LEU A 10 -6.512 2.823 -5.621 1.00 0.00 C ATOM 139 C LEU A 10 -5.092 2.755 -6.147 1.00 0.00 C ATOM 140 O LEU A 10 -4.877 2.306 -7.274 1.00 0.00 O ATOM 141 CB LEU A 10 -7.206 1.454 -5.731 1.00 0.00 C ATOM 142 CG LEU A 10 -6.590 0.183 -5.156 1.00 0.00 C ATOM 143 CD1 LEU A 10 -5.693 0.237 -3.934 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.646 -0.860 -4.818 1.00 0.00 C ATOM 0 H LEU A 10 -7.068 3.652 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.510 3.109 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.188 1.562 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.370 1.270 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.937 -0.054 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.357 -0.770 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.828 0.866 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.248 0.653 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.163 -1.749 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.337 -0.453 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.196 -1.127 -5.721 1.00 0.00 H new ATOM 156 N GLN A 11 -4.134 3.248 -5.370 1.00 0.00 N ATOM 157 CA GLN A 11 -2.739 3.276 -5.763 1.00 0.00 C ATOM 158 C GLN A 11 -1.884 3.224 -4.506 1.00 0.00 C ATOM 159 O GLN A 11 -2.310 3.678 -3.444 1.00 0.00 O ATOM 160 CB GLN A 11 -2.510 4.535 -6.603 1.00 0.00 C ATOM 161 CG GLN A 11 -1.261 4.461 -7.492 1.00 0.00 C ATOM 162 CD GLN A 11 -1.519 5.053 -8.877 1.00 0.00 C ATOM 163 OE1 GLN A 11 -1.194 6.208 -9.143 1.00 0.00 O ATOM 164 NE2 GLN A 11 -2.145 4.300 -9.766 1.00 0.00 N ATOM 0 H GLN A 11 -4.309 3.641 -4.445 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.459 2.418 -6.375 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.384 4.706 -7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.422 5.394 -5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.441 4.997 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.947 3.422 -7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.408 3.343 -9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.365 4.676 -10.688 1.00 0.00 H new ATOM 173 N ILE A 12 -0.687 2.643 -4.612 1.00 0.00 N ATOM 174 CA ILE A 12 0.125 2.370 -3.429 1.00 0.00 C ATOM 175 C ILE A 12 0.671 3.656 -2.791 1.00 0.00 C ATOM 176 O ILE A 12 0.800 3.688 -1.573 1.00 0.00 O ATOM 177 CB ILE A 12 1.254 1.379 -3.759 1.00 0.00 C ATOM 178 CG1 ILE A 12 0.779 0.076 -4.424 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.020 0.966 -2.491 1.00 0.00 C ATOM 180 CD1 ILE A 12 -0.395 -0.654 -3.751 1.00 0.00 C ATOM 0 H ILE A 12 -0.264 2.356 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.525 1.907 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 12 1.884 1.925 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.495 0.302 -5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.625 -0.610 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.812 0.265 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.458 1.849 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.334 0.490 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.634 -1.556 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.119 -0.925 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.266 0.001 -3.728 1.00 0.00 H new ATOM 192 N THR A 13 0.984 4.692 -3.577 1.00 0.00 N ATOM 193 CA THR A 13 1.356 6.034 -3.119 1.00 0.00 C ATOM 194 C THR A 13 2.734 6.098 -2.453 1.00 0.00 C ATOM 195 O THR A 13 3.590 6.843 -2.932 1.00 0.00 O ATOM 196 CB THR A 13 0.203 6.645 -2.303 1.00 0.00 C ATOM 197 OG1 THR A 13 -1.005 6.466 -3.015 1.00 0.00 O ATOM 198 CG2 THR A 13 0.362 8.144 -2.078 1.00 0.00 C ATOM 0 H THR A 13 0.985 4.614 -4.594 1.00 0.00 H new ATOM 0 HA THR A 13 1.494 6.672 -3.992 1.00 0.00 H new ATOM 0 HB THR A 13 0.204 6.143 -1.336 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.253 5.518 -3.006 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.482 8.516 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.288 8.334 -1.536 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.393 8.655 -3.040 1.00 0.00 H new ATOM 206 N GLY A 14 3.021 5.299 -1.430 1.00 0.00 N ATOM 207 CA GLY A 14 4.376 5.104 -0.954 1.00 0.00 C ATOM 208 C GLY A 14 4.482 3.878 -0.073 1.00 0.00 C ATOM 209 O GLY A 14 3.501 3.170 0.173 1.00 0.00 O ATOM 0 H GLY A 14 2.318 4.772 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.051 5.002 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.697 5.984 -0.396 1.00 0.00 H new ATOM 213 N ILE A 15 5.708 3.601 0.336 1.00 0.00 N ATOM 214 CA ILE A 15 6.115 2.306 0.832 1.00 0.00 C ATOM 215 C ILE A 15 7.337 2.518 1.706 1.00 0.00 C ATOM 216 O ILE A 15 8.107 3.442 1.462 1.00 0.00 O ATOM 217 CB ILE A 15 6.393 1.406 -0.391 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.379 -0.074 0.005 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.663 1.784 -1.184 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.331 -0.978 -1.233 1.00 0.00 C ATOM 0 H ILE A 15 6.462 4.288 0.331 1.00 0.00 H new ATOM 0 HA ILE A 15 5.353 1.816 1.438 1.00 0.00 H new ATOM 0 HB ILE A 15 5.573 1.585 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.268 -0.304 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.516 -0.275 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.783 1.102 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.570 2.805 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.534 1.713 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.322 -2.022 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.429 -0.763 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.208 -0.792 -1.853 1.00 0.00 H new ATOM 232 N THR A 16 7.528 1.647 2.684 1.00 0.00 N ATOM 233 CA THR A 16 8.766 1.533 3.434 1.00 0.00 C ATOM 234 C THR A 16 8.737 0.165 4.114 1.00 0.00 C ATOM 235 O THR A 16 7.748 -0.568 4.055 1.00 0.00 O ATOM 236 CB THR A 16 8.930 2.722 4.413 1.00 0.00 C ATOM 237 OG1 THR A 16 10.165 2.654 5.107 1.00 0.00 O ATOM 238 CG2 THR A 16 7.815 2.847 5.456 1.00 0.00 C ATOM 0 H THR A 16 6.811 0.986 2.984 1.00 0.00 H new ATOM 0 HA THR A 16 9.644 1.589 2.791 1.00 0.00 H new ATOM 0 HB THR A 16 8.886 3.600 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.853 3.132 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.012 3.706 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.858 2.983 4.951 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.780 1.942 6.062 1.00 0.00 H new ATOM 246 N SER A 17 9.797 -0.176 4.822 1.00 0.00 N ATOM 247 CA SER A 17 9.845 -1.341 5.671 1.00 0.00 C ATOM 248 C SER A 17 10.510 -0.987 6.991 1.00 0.00 C ATOM 249 O SER A 17 11.055 0.106 7.166 1.00 0.00 O ATOM 250 CB SER A 17 10.574 -2.451 4.916 1.00 0.00 C ATOM 251 OG SER A 17 11.850 -2.011 4.497 1.00 0.00 O ATOM 0 H SER A 17 10.663 0.362 4.820 1.00 0.00 H new ATOM 0 HA SER A 17 8.844 -1.698 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.677 -3.327 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.986 -2.757 4.050 1.00 0.00 H new ATOM 0 HG SER A 17 12.488 -2.753 4.557 1.00 0.00 H new ATOM 257 N ASP A 18 10.460 -1.941 7.913 1.00 0.00 N ATOM 258 CA ASP A 18 11.072 -1.906 9.236 1.00 0.00 C ATOM 259 C ASP A 18 12.611 -1.859 9.168 1.00 0.00 C ATOM 260 O ASP A 18 13.265 -1.444 10.123 1.00 0.00 O ATOM 261 CB ASP A 18 10.563 -3.136 9.975 1.00 0.00 C ATOM 262 CG ASP A 18 11.088 -3.264 11.400 1.00 0.00 C ATOM 263 OD1 ASP A 18 10.810 -2.380 12.232 1.00 0.00 O ATOM 264 OD2 ASP A 18 11.632 -4.354 11.707 1.00 0.00 O ATOM 0 H ASP A 18 9.960 -2.814 7.746 1.00 0.00 H new ATOM 0 HA ASP A 18 10.794 -0.995 9.766 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.474 -3.107 10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.844 -4.027 9.414 1.00 0.00 H new ATOM 269 N GLY A 19 13.209 -2.199 8.017 1.00 0.00 N ATOM 270 CA GLY A 19 14.628 -2.003 7.729 1.00 0.00 C ATOM 271 C GLY A 19 14.940 -0.788 6.840 1.00 0.00 C ATOM 272 O GLY A 19 16.107 -0.583 6.509 1.00 0.00 O ATOM 0 H GLY A 19 12.701 -2.629 7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.165 -1.894 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.014 -2.900 7.244 1.00 0.00 H new ATOM 276 N ASN A 20 13.950 0.024 6.443 1.00 0.00 N ATOM 277 CA ASN A 20 14.161 1.195 5.574 1.00 0.00 C ATOM 278 C ASN A 20 14.084 2.510 6.350 1.00 0.00 C ATOM 279 O ASN A 20 14.054 3.581 5.748 1.00 0.00 O ATOM 280 CB ASN A 20 13.226 1.177 4.343 1.00 0.00 C ATOM 281 CG ASN A 20 13.973 0.653 3.122 1.00 0.00 C ATOM 282 OD1 ASN A 20 14.766 -0.282 3.230 1.00 0.00 O ATOM 283 ND2 ASN A 20 13.774 1.224 1.948 1.00 0.00 N ATOM 0 H ASN A 20 12.976 -0.112 6.715 1.00 0.00 H new ATOM 0 HA ASN A 20 15.179 1.126 5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.359 0.548 4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.852 2.182 4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.278 0.890 1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.116 1.999 1.863 1.00 0.00 H new ATOM 290 N ASP A 21 14.089 2.466 7.683 1.00 0.00 N ATOM 291 CA ASP A 21 14.036 3.632 8.570 1.00 0.00 C ATOM 292 C ASP A 21 12.772 4.467 8.364 1.00 0.00 C ATOM 293 O ASP A 21 12.786 5.691 8.502 1.00 0.00 O ATOM 294 CB ASP A 21 15.316 4.475 8.462 1.00 0.00 C ATOM 295 CG ASP A 21 15.474 5.414 9.656 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.246 4.993 10.814 1.00 0.00 O ATOM 297 OD2 ASP A 21 15.938 6.560 9.467 1.00 0.00 O ATOM 0 H ASP A 21 14.132 1.585 8.195 1.00 0.00 H new ATOM 0 HA ASP A 21 13.982 3.255 9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.182 3.816 8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.292 5.058 7.541 1.00 0.00 H new ATOM 302 N PHE A 22 11.670 3.796 8.008 1.00 0.00 N ATOM 303 CA PHE A 22 10.368 4.404 7.751 1.00 0.00 C ATOM 304 C PHE A 22 10.434 5.503 6.673 1.00 0.00 C ATOM 305 O PHE A 22 9.613 6.422 6.686 1.00 0.00 O ATOM 306 CB PHE A 22 9.709 4.867 9.065 1.00 0.00 C ATOM 307 CG PHE A 22 9.333 3.761 10.038 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.327 3.046 10.735 1.00 0.00 C ATOM 309 CD2 PHE A 22 7.976 3.484 10.301 1.00 0.00 C ATOM 310 CE1 PHE A 22 9.972 2.085 11.692 1.00 0.00 C ATOM 311 CE2 PHE A 22 7.624 2.554 11.295 1.00 0.00 C ATOM 312 CZ PHE A 22 8.619 1.842 11.983 1.00 0.00 C ATOM 0 H PHE A 22 11.664 2.783 7.888 1.00 0.00 H new ATOM 0 HA PHE A 22 9.717 3.638 7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.389 5.554 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.809 5.432 8.820 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.370 3.240 10.531 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.205 3.988 9.737 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.741 1.529 12.208 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.583 2.387 11.530 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.346 1.112 12.731 1.00 0.00 H new ATOM 322 N ALA A 23 11.404 5.428 5.752 1.00 0.00 N ATOM 323 CA ALA A 23 11.482 6.282 4.574 1.00 0.00 C ATOM 324 C ALA A 23 10.314 5.978 3.626 1.00 0.00 C ATOM 325 O ALA A 23 10.451 5.175 2.705 1.00 0.00 O ATOM 326 CB ALA A 23 12.847 6.115 3.898 1.00 0.00 C ATOM 0 H ALA A 23 12.169 4.756 5.812 1.00 0.00 H new ATOM 0 HA ALA A 23 11.393 7.328 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.898 6.756 3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.636 6.394 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.979 5.076 3.598 1.00 0.00 H new ATOM 332 N TRP A 24 9.157 6.597 3.874 1.00 0.00 N ATOM 333 CA TRP A 24 7.871 6.336 3.234 1.00 0.00 C ATOM 334 C TRP A 24 7.790 6.612 1.734 1.00 0.00 C ATOM 335 O TRP A 24 6.802 6.191 1.113 1.00 0.00 O ATOM 336 CB TRP A 24 6.798 7.152 3.965 1.00 0.00 C ATOM 337 CG TRP A 24 6.141 6.400 5.063 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.239 6.636 6.386 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.333 5.206 4.916 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.489 5.703 7.068 1.00 0.00 N ATOM 341 CE2 TRP A 24 4.911 4.790 6.209 1.00 0.00 C ATOM 342 CE3 TRP A 24 4.965 4.409 3.813 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.105 3.662 6.388 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.196 3.248 3.992 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.740 2.895 5.272 1.00 0.00 C ATOM 0 H TRP A 24 9.092 7.339 4.571 1.00 0.00 H new ATOM 0 HA TRP A 24 7.716 5.260 3.315 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.252 8.055 4.372 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.042 7.471 3.248 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.814 7.430 6.839 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.375 5.689 8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.278 4.695 2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.767 3.384 7.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.955 2.625 3.143 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.106 2.030 5.398 1.00 0.00 H new ATOM 356 N ASP A 25 8.795 7.291 1.179 1.00 0.00 N ATOM 357 CA ASP A 25 8.996 7.567 -0.246 1.00 0.00 C ATOM 358 C ASP A 25 7.759 8.184 -0.934 1.00 0.00 C ATOM 359 O ASP A 25 6.769 8.546 -0.289 1.00 0.00 O ATOM 360 CB ASP A 25 9.515 6.278 -0.926 1.00 0.00 C ATOM 361 CG ASP A 25 11.036 6.286 -1.070 1.00 0.00 C ATOM 362 OD1 ASP A 25 11.547 7.139 -1.834 1.00 0.00 O ATOM 363 OD2 ASP A 25 11.740 5.430 -0.500 1.00 0.00 O ATOM 0 H ASP A 25 9.540 7.690 1.750 1.00 0.00 H new ATOM 0 HA ASP A 25 9.751 8.346 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.210 5.410 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.057 6.176 -1.910 1.00 0.00 H new ATOM 368 N ASN A 26 7.798 8.364 -2.260 1.00 0.00 N ATOM 369 CA ASN A 26 6.629 8.589 -3.107 1.00 0.00 C ATOM 370 C ASN A 26 6.749 7.766 -4.374 1.00 0.00 C ATOM 371 O ASN A 26 7.537 8.095 -5.262 1.00 0.00 O ATOM 372 CB ASN A 26 6.427 10.071 -3.465 1.00 0.00 C ATOM 373 CG ASN A 26 5.261 10.571 -2.656 1.00 0.00 C ATOM 374 OD1 ASN A 26 4.125 10.612 -3.128 1.00 0.00 O ATOM 375 ND2 ASN A 26 5.529 10.833 -1.391 1.00 0.00 N ATOM 0 H ASN A 26 8.672 8.356 -2.785 1.00 0.00 H new ATOM 0 HA ASN A 26 5.755 8.277 -2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.325 10.646 -3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.232 10.186 -4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.775 11.085 -0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.490 10.784 -1.053 1.00 0.00 H new ATOM 382 N LEU A 27 5.957 6.701 -4.466 1.00 0.00 N ATOM 383 CA LEU A 27 5.900 5.851 -5.645 1.00 0.00 C ATOM 384 C LEU A 27 5.294 6.655 -6.786 1.00 0.00 C ATOM 385 O LEU A 27 4.216 7.239 -6.621 1.00 0.00 O ATOM 386 CB LEU A 27 5.047 4.605 -5.387 1.00 0.00 C ATOM 387 CG LEU A 27 5.647 3.620 -4.372 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.556 2.626 -4.000 1.00 0.00 C ATOM 389 CD2 LEU A 27 6.848 2.844 -4.901 1.00 0.00 C ATOM 0 H LEU A 27 5.333 6.404 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 27 6.908 5.522 -5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.065 4.919 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.893 4.084 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 27 6.003 4.201 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.948 1.909 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.713 3.159 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.225 2.097 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.215 2.170 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.551 2.265 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.638 3.542 -5.179 1.00 0.00 H new ATOM 401 N THR A 28 5.981 6.698 -7.919 1.00 0.00 N ATOM 402 CA THR A 28 5.589 7.490 -9.074 1.00 0.00 C ATOM 403 C THR A 28 4.329 6.928 -9.753 1.00 0.00 C ATOM 404 O THR A 28 3.967 5.757 -9.597 1.00 0.00 O ATOM 405 CB THR A 28 6.795 7.622 -10.031 1.00 0.00 C ATOM 406 OG1 THR A 28 7.726 6.566 -9.909 1.00 0.00 O ATOM 407 CG2 THR A 28 7.549 8.918 -9.736 1.00 0.00 C ATOM 0 H THR A 28 6.843 6.173 -8.063 1.00 0.00 H new ATOM 0 HA THR A 28 5.309 8.492 -8.750 1.00 0.00 H new ATOM 0 HB THR A 28 6.378 7.605 -11.038 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.463 6.705 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.399 9.007 -10.413 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.881 9.768 -9.878 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.906 8.905 -8.706 1.00 0.00 H new ATOM 415 N SER A 29 3.670 7.782 -10.539 1.00 0.00 N ATOM 416 CA SER A 29 2.313 7.623 -11.054 1.00 0.00 C ATOM 417 C SER A 29 2.069 6.365 -11.901 1.00 0.00 C ATOM 418 O SER A 29 0.922 5.936 -12.008 1.00 0.00 O ATOM 419 CB SER A 29 1.960 8.885 -11.852 1.00 0.00 C ATOM 420 OG SER A 29 2.331 10.055 -11.134 1.00 0.00 O ATOM 0 H SER A 29 4.097 8.654 -10.850 1.00 0.00 H new ATOM 0 HA SER A 29 1.663 7.488 -10.190 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.470 8.867 -12.815 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.890 8.903 -12.058 1.00 0.00 H new ATOM 0 HG SER A 29 2.099 10.849 -11.660 1.00 0.00 H new ATOM 426 N SER A 30 3.110 5.756 -12.478 1.00 0.00 N ATOM 427 CA SER A 30 3.019 4.482 -13.191 1.00 0.00 C ATOM 428 C SER A 30 4.180 3.548 -12.794 1.00 0.00 C ATOM 429 O SER A 30 4.452 2.588 -13.515 1.00 0.00 O ATOM 430 CB SER A 30 2.925 4.739 -14.708 1.00 0.00 C ATOM 431 OG SER A 30 2.110 3.785 -15.378 1.00 0.00 O ATOM 0 H SER A 30 4.054 6.142 -12.461 1.00 0.00 H new ATOM 0 HA SER A 30 2.107 3.960 -12.902 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.523 5.738 -14.879 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.926 4.721 -15.138 1.00 0.00 H new ATOM 0 HG SER A 30 2.082 3.993 -16.335 1.00 0.00 H new ATOM 437 N GLN A 31 4.873 3.813 -11.672 1.00 0.00 N ATOM 438 CA GLN A 31 6.017 3.037 -11.180 1.00 0.00 C ATOM 439 C GLN A 31 5.730 1.534 -11.216 1.00 0.00 C ATOM 440 O GLN A 31 4.599 1.106 -10.978 1.00 0.00 O ATOM 441 CB GLN A 31 6.336 3.470 -9.739 1.00 0.00 C ATOM 442 CG GLN A 31 7.638 2.873 -9.174 1.00 0.00 C ATOM 443 CD GLN A 31 8.662 3.899 -8.692 1.00 0.00 C ATOM 444 OE1 GLN A 31 9.618 4.230 -9.394 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.506 4.394 -7.478 1.00 0.00 N ATOM 0 H GLN A 31 4.642 4.600 -11.066 1.00 0.00 H new ATOM 0 HA GLN A 31 6.871 3.230 -11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.403 4.557 -9.705 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.507 3.181 -9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.387 2.214 -8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.100 2.254 -9.943 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.708 4.109 -6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.183 5.061 -7.108 1.00 0.00 H new ATOM 454 N THR A 32 6.770 0.730 -11.447 1.00 0.00 N ATOM 455 CA THR A 32 6.654 -0.721 -11.482 1.00 0.00 C ATOM 456 C THR A 32 7.653 -1.416 -10.539 1.00 0.00 C ATOM 457 O THR A 32 7.577 -2.631 -10.357 1.00 0.00 O ATOM 458 CB THR A 32 6.710 -1.194 -12.950 1.00 0.00 C ATOM 459 OG1 THR A 32 7.975 -1.023 -13.551 1.00 0.00 O ATOM 460 CG2 THR A 32 5.717 -0.445 -13.847 1.00 0.00 C ATOM 0 H THR A 32 7.716 1.072 -11.615 1.00 0.00 H new ATOM 0 HA THR A 32 5.685 -1.023 -11.084 1.00 0.00 H new ATOM 0 HB THR A 32 6.464 -2.254 -12.881 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.905 -1.191 -14.514 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.798 -0.816 -14.869 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.703 -0.606 -13.481 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.943 0.621 -13.830 1.00 0.00 H new ATOM 468 N LYS A 33 8.568 -0.673 -9.899 1.00 0.00 N ATOM 469 CA LYS A 33 9.588 -1.215 -8.998 1.00 0.00 C ATOM 470 C LYS A 33 9.783 -0.287 -7.811 1.00 0.00 C ATOM 471 O LYS A 33 9.457 0.896 -7.887 1.00 0.00 O ATOM 472 CB LYS A 33 10.921 -1.414 -9.752 1.00 0.00 C ATOM 473 CG LYS A 33 11.099 -2.864 -10.239 1.00 0.00 C ATOM 474 CD LYS A 33 11.356 -3.014 -11.739 1.00 0.00 C ATOM 475 CE LYS A 33 10.015 -2.963 -12.462 1.00 0.00 C ATOM 476 NZ LYS A 33 10.162 -2.921 -13.925 1.00 0.00 N ATOM 0 H LYS A 33 8.618 0.341 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 33 9.252 -2.185 -8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.959 -0.738 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.751 -1.147 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.930 -3.314 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.205 -3.431 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.009 -2.217 -12.094 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.863 -3.957 -11.945 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.424 -3.836 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.461 -2.085 -12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.627 -2.114 -14.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.167 -2.816 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.796 -3.803 -14.336 1.00 0.00 H new ATOM 490 N ALA A 34 10.255 -0.842 -6.698 1.00 0.00 N ATOM 491 CA ALA A 34 10.506 -0.096 -5.479 1.00 0.00 C ATOM 492 C ALA A 34 11.637 0.913 -5.685 1.00 0.00 C ATOM 493 O ALA A 34 12.446 0.756 -6.602 1.00 0.00 O ATOM 494 CB ALA A 34 10.875 -1.086 -4.359 1.00 0.00 C ATOM 0 H ALA A 34 10.475 -1.835 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 34 9.609 0.458 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.066 -0.537 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.051 -1.782 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.769 -1.640 -4.643 1.00 0.00 H new ATOM 500 N PRO A 35 11.736 1.931 -4.815 1.00 0.00 N ATOM 501 CA PRO A 35 12.794 2.926 -4.893 1.00 0.00 C ATOM 502 C PRO A 35 14.174 2.359 -4.525 1.00 0.00 C ATOM 503 O PRO A 35 15.172 2.820 -5.074 1.00 0.00 O ATOM 504 CB PRO A 35 12.360 4.048 -3.952 1.00 0.00 C ATOM 505 CG PRO A 35 11.452 3.349 -2.942 1.00 0.00 C ATOM 506 CD PRO A 35 10.760 2.301 -3.800 1.00 0.00 C ATOM 0 HA PRO A 35 12.922 3.284 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.216 4.514 -3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.830 4.836 -4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.020 2.898 -2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.740 4.039 -2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.465 1.437 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.853 2.700 -4.253 1.00 0.00 H new ATOM 514 N ASN A 36 14.238 1.385 -3.613 1.00 0.00 N ATOM 515 CA ASN A 36 15.437 0.675 -3.166 1.00 0.00 C ATOM 516 C ASN A 36 14.983 -0.688 -2.646 1.00 0.00 C ATOM 517 O ASN A 36 13.785 -0.900 -2.426 1.00 0.00 O ATOM 518 CB ASN A 36 16.144 1.436 -2.027 1.00 0.00 C ATOM 519 CG ASN A 36 17.018 2.575 -2.533 1.00 0.00 C ATOM 520 OD1 ASN A 36 18.116 2.353 -3.034 1.00 0.00 O ATOM 521 ND2 ASN A 36 16.566 3.805 -2.387 1.00 0.00 N ATOM 0 H ASN A 36 13.400 1.051 -3.138 1.00 0.00 H new ATOM 0 HA ASN A 36 16.140 0.582 -3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.395 1.835 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.758 0.739 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.132 4.596 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.650 3.965 -1.968 1.00 0.00 H new ATOM 528 N VAL A 37 15.925 -1.592 -2.381 1.00 0.00 N ATOM 529 CA VAL A 37 15.680 -2.772 -1.562 1.00 0.00 C ATOM 530 C VAL A 37 15.222 -2.431 -0.146 1.00 0.00 C ATOM 531 O VAL A 37 15.990 -1.990 0.705 1.00 0.00 O ATOM 532 CB VAL A 37 16.774 -3.834 -1.696 1.00 0.00 C ATOM 533 CG1 VAL A 37 18.183 -3.336 -1.701 1.00 0.00 C ATOM 534 CG2 VAL A 37 16.659 -4.961 -0.674 1.00 0.00 C ATOM 0 H VAL A 37 16.881 -1.524 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 37 14.809 -3.279 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 37 16.571 -4.217 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.867 -4.179 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.325 -2.653 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.387 -2.812 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.467 -5.676 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.728 -4.548 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.700 -5.465 -0.794 1.00 0.00 H new ATOM 544 N LEU A 38 13.930 -2.660 0.079 1.00 0.00 N ATOM 545 CA LEU A 38 13.225 -2.622 1.345 1.00 0.00 C ATOM 546 C LEU A 38 13.774 -3.713 2.269 1.00 0.00 C ATOM 547 O LEU A 38 13.388 -4.877 2.152 1.00 0.00 O ATOM 548 CB LEU A 38 11.712 -2.781 1.085 1.00 0.00 C ATOM 549 CG LEU A 38 11.141 -1.795 0.044 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.624 -1.897 -0.014 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.514 -0.343 0.318 1.00 0.00 C ATOM 0 H LEU A 38 13.302 -2.896 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 38 13.379 -1.665 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.518 -3.799 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.177 -2.649 2.026 1.00 0.00 H new ATOM 0 HG LEU A 38 11.587 -2.083 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.240 -1.194 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.338 -2.911 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.206 -1.659 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.080 0.296 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.130 -0.047 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.599 -0.238 0.308 1.00 0.00 H new ATOM 563 N LYS A 39 14.699 -3.367 3.163 1.00 0.00 N ATOM 564 CA LYS A 39 15.288 -4.331 4.102 1.00 0.00 C ATOM 565 C LYS A 39 14.295 -4.666 5.218 1.00 0.00 C ATOM 566 O LYS A 39 13.253 -4.018 5.341 1.00 0.00 O ATOM 567 CB LYS A 39 16.587 -3.784 4.707 1.00 0.00 C ATOM 568 CG LYS A 39 17.529 -3.122 3.698 1.00 0.00 C ATOM 569 CD LYS A 39 18.849 -2.765 4.387 1.00 0.00 C ATOM 570 CE LYS A 39 19.457 -1.542 3.709 1.00 0.00 C ATOM 571 NZ LYS A 39 20.809 -1.248 4.218 1.00 0.00 N ATOM 0 H LYS A 39 15.062 -2.419 3.260 1.00 0.00 H new ATOM 0 HA LYS A 39 15.520 -5.240 3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.335 -3.058 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.117 -4.601 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.714 -3.796 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.067 -2.224 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.677 -2.561 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.540 -3.606 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.502 -1.708 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.812 -0.678 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.188 -0.410 3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.763 -1.064 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.431 -2.062 4.040 1.00 0.00 H new ATOM 585 N GLY A 40 14.626 -5.602 6.108 1.00 0.00 N ATOM 586 CA GLY A 40 13.713 -6.042 7.160 1.00 0.00 C ATOM 587 C GLY A 40 12.889 -7.229 6.664 1.00 0.00 C ATOM 588 O GLY A 40 13.265 -7.877 5.681 1.00 0.00 O ATOM 0 H GLY A 40 15.530 -6.074 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.277 -6.325 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.053 -5.224 7.448 1.00 0.00 H new ATOM 592 N ASN A 41 11.793 -7.546 7.358 1.00 0.00 N ATOM 593 CA ASN A 41 10.845 -8.592 6.966 1.00 0.00 C ATOM 594 C ASN A 41 9.392 -8.127 6.976 1.00 0.00 C ATOM 595 O ASN A 41 8.547 -8.733 6.310 1.00 0.00 O ATOM 596 CB ASN A 41 10.970 -9.824 7.866 1.00 0.00 C ATOM 597 CG ASN A 41 10.247 -11.001 7.219 1.00 0.00 C ATOM 598 OD1 ASN A 41 10.772 -11.611 6.293 1.00 0.00 O ATOM 599 ND2 ASN A 41 9.028 -11.303 7.628 1.00 0.00 N ATOM 0 H ASN A 41 11.535 -7.074 8.225 1.00 0.00 H new ATOM 0 HA ASN A 41 11.111 -8.847 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.021 -10.069 8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.543 -9.616 8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.508 -12.053 7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.606 -10.786 8.399 1.00 0.00 H new ATOM 606 N LYS A 42 9.060 -7.080 7.734 1.00 0.00 N ATOM 607 CA LYS A 42 7.744 -6.490 7.648 1.00 0.00 C ATOM 608 C LYS A 42 7.784 -5.548 6.456 1.00 0.00 C ATOM 609 O LYS A 42 8.835 -4.975 6.165 1.00 0.00 O ATOM 610 CB LYS A 42 7.399 -5.778 8.971 1.00 0.00 C ATOM 611 CG LYS A 42 7.218 -6.768 10.142 1.00 0.00 C ATOM 612 CD LYS A 42 6.115 -7.811 9.885 1.00 0.00 C ATOM 613 CE LYS A 42 5.817 -8.611 11.157 1.00 0.00 C ATOM 614 NZ LYS A 42 4.374 -8.896 11.314 1.00 0.00 N ATOM 0 H LYS A 42 9.685 -6.634 8.405 1.00 0.00 H new ATOM 0 HA LYS A 42 6.959 -7.231 7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.190 -5.070 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.483 -5.201 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.161 -7.283 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.979 -6.211 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.208 -7.312 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.426 -8.487 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.370 -9.550 11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.172 -8.055 12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.222 -9.453 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.849 -8.001 11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.035 -9.434 10.491 1.00 0.00 H new ATOM 628 N LEU A 43 6.641 -5.371 5.803 1.00 0.00 N ATOM 629 CA LEU A 43 6.447 -4.431 4.717 1.00 0.00 C ATOM 630 C LEU A 43 5.322 -3.478 5.127 1.00 0.00 C ATOM 631 O LEU A 43 4.218 -3.925 5.455 1.00 0.00 O ATOM 632 CB LEU A 43 6.112 -5.222 3.440 1.00 0.00 C ATOM 633 CG LEU A 43 6.569 -4.572 2.129 1.00 0.00 C ATOM 634 CD1 LEU A 43 6.197 -3.107 2.014 1.00 0.00 C ATOM 635 CD2 LEU A 43 8.069 -4.674 1.887 1.00 0.00 C ATOM 0 H LEU A 43 5.797 -5.899 6.027 1.00 0.00 H new ATOM 0 HA LEU A 43 7.341 -3.842 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.566 -6.210 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.033 -5.370 3.396 1.00 0.00 H new ATOM 0 HG LEU A 43 6.033 -5.149 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.553 -2.715 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.113 -3.001 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.657 -2.550 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.319 -4.193 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.603 -4.179 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.361 -5.724 1.848 1.00 0.00 H new ATOM 647 N TYR A 44 5.577 -2.168 5.126 1.00 0.00 N ATOM 648 CA TYR A 44 4.598 -1.140 5.456 1.00 0.00 C ATOM 649 C TYR A 44 4.182 -0.439 4.157 1.00 0.00 C ATOM 650 O TYR A 44 5.023 0.006 3.378 1.00 0.00 O ATOM 651 CB TYR A 44 5.176 -0.136 6.473 1.00 0.00 C ATOM 652 CG TYR A 44 5.756 -0.687 7.772 1.00 0.00 C ATOM 653 CD1 TYR A 44 5.073 -1.656 8.535 1.00 0.00 C ATOM 654 CD2 TYR A 44 7.009 -0.223 8.226 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.637 -2.143 9.733 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.573 -0.706 9.425 1.00 0.00 C ATOM 657 CZ TYR A 44 6.876 -1.654 10.201 1.00 0.00 C ATOM 658 OH TYR A 44 7.411 -2.174 11.335 1.00 0.00 O ATOM 0 H TYR A 44 6.493 -1.787 4.889 1.00 0.00 H new ATOM 0 HA TYR A 44 3.724 -1.594 5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.959 0.433 5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.386 0.569 6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.115 -2.027 8.201 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.545 0.514 7.646 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.114 -2.900 10.299 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.540 -0.349 9.749 1.00 0.00 H new ATOM 0 HH TYR A 44 8.266 -1.734 11.525 1.00 0.00 H new ATOM 668 N VAL A 45 2.876 -0.326 3.917 1.00 0.00 N ATOM 669 CA VAL A 45 2.326 0.275 2.699 1.00 0.00 C ATOM 670 C VAL A 45 1.379 1.417 3.074 1.00 0.00 C ATOM 671 O VAL A 45 0.741 1.338 4.133 1.00 0.00 O ATOM 672 CB VAL A 45 1.638 -0.817 1.862 1.00 0.00 C ATOM 673 CG1 VAL A 45 1.291 -0.263 0.497 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.530 -2.040 1.640 1.00 0.00 C ATOM 0 H VAL A 45 2.162 -0.652 4.568 1.00 0.00 H new ATOM 0 HA VAL A 45 3.120 0.704 2.088 1.00 0.00 H new ATOM 0 HB VAL A 45 0.752 -1.123 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.803 -1.036 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.617 0.587 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.202 0.061 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.994 -2.778 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.437 -1.739 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.796 -2.476 2.603 1.00 0.00 H new ATOM 684 N LYS A 46 1.280 2.440 2.204 1.00 0.00 N ATOM 685 CA LYS A 46 0.507 3.663 2.414 1.00 0.00 C ATOM 686 C LYS A 46 -0.501 3.888 1.279 1.00 0.00 C ATOM 687 O LYS A 46 -0.542 4.962 0.676 1.00 0.00 O ATOM 688 CB LYS A 46 1.489 4.846 2.533 1.00 0.00 C ATOM 689 CG LYS A 46 0.857 6.164 3.008 1.00 0.00 C ATOM 690 CD LYS A 46 1.286 6.610 4.407 1.00 0.00 C ATOM 691 CE LYS A 46 1.978 7.972 4.406 1.00 0.00 C ATOM 692 NZ LYS A 46 2.194 8.480 5.783 1.00 0.00 N ATOM 0 H LYS A 46 1.758 2.429 1.303 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.073 3.575 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.285 4.571 3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.955 5.012 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.111 6.950 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.228 6.058 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.410 6.653 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.960 5.865 4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.937 7.893 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.375 8.686 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.240 9.519 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.407 8.178 6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.087 8.100 6.157 1.00 0.00 H new ATOM 706 N ALA A 47 -1.319 2.889 0.964 1.00 0.00 N ATOM 707 CA ALA A 47 -2.152 2.892 -0.238 1.00 0.00 C ATOM 708 C ALA A 47 -3.277 3.930 -0.156 1.00 0.00 C ATOM 709 O ALA A 47 -4.227 3.732 0.600 1.00 0.00 O ATOM 710 CB ALA A 47 -2.658 1.473 -0.501 1.00 0.00 C ATOM 0 H ALA A 47 -1.425 2.051 1.536 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.550 3.199 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.280 1.469 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.809 0.805 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.246 1.133 0.351 1.00 0.00 H new ATOM 716 N ARG A 48 -3.195 5.037 -0.907 1.00 0.00 N ATOM 717 CA ARG A 48 -4.216 6.090 -0.915 1.00 0.00 C ATOM 718 C ARG A 48 -5.480 5.549 -1.567 1.00 0.00 C ATOM 719 O ARG A 48 -5.484 5.301 -2.776 1.00 0.00 O ATOM 720 CB ARG A 48 -3.710 7.300 -1.713 1.00 0.00 C ATOM 721 CG ARG A 48 -4.712 8.467 -1.766 1.00 0.00 C ATOM 722 CD ARG A 48 -4.419 9.512 -0.681 1.00 0.00 C ATOM 723 NE ARG A 48 -3.188 10.284 -0.942 1.00 0.00 N ATOM 724 CZ ARG A 48 -3.011 11.232 -1.874 1.00 0.00 C ATOM 725 NH1 ARG A 48 -4.009 11.601 -2.676 1.00 0.00 N ATOM 726 NH2 ARG A 48 -1.820 11.802 -2.003 1.00 0.00 N ATOM 0 H ARG A 48 -2.411 5.227 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.428 6.400 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.778 7.652 -1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.480 6.983 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.670 8.939 -2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.725 8.084 -1.639 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.263 10.198 -0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.330 9.012 0.283 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.385 10.074 -0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.925 11.161 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.857 12.324 -3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.050 11.518 -1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.674 12.524 -2.708 1.00 0.00 H new ATOM 740 N PHE A 49 -6.549 5.353 -0.803 1.00 0.00 N ATOM 741 CA PHE A 49 -7.864 5.027 -1.346 1.00 0.00 C ATOM 742 C PHE A 49 -8.630 6.338 -1.403 1.00 0.00 C ATOM 743 O PHE A 49 -8.759 6.992 -0.365 1.00 0.00 O ATOM 744 CB PHE A 49 -8.608 4.032 -0.448 1.00 0.00 C ATOM 745 CG PHE A 49 -7.948 2.677 -0.301 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.888 2.560 0.607 1.00 0.00 C ATOM 747 CD2 PHE A 49 -8.344 1.550 -1.052 1.00 0.00 C ATOM 748 CE1 PHE A 49 -6.191 1.355 0.756 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.721 0.310 -0.825 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.636 0.214 0.068 1.00 0.00 C ATOM 0 H PHE A 49 -6.528 5.416 0.215 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.770 4.561 -2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.719 4.474 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.612 3.888 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.603 3.415 1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.121 1.639 -1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.320 1.303 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.076 -0.572 -1.337 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.147 -0.736 0.224 1.00 0.00 H new ATOM 760 N MET A 50 -9.093 6.738 -2.585 1.00 0.00 N ATOM 761 CA MET A 50 -9.919 7.928 -2.771 1.00 0.00 C ATOM 762 C MET A 50 -11.313 7.436 -3.134 1.00 0.00 C ATOM 763 O MET A 50 -11.459 6.712 -4.115 1.00 0.00 O ATOM 764 CB MET A 50 -9.380 8.877 -3.860 1.00 0.00 C ATOM 765 CG MET A 50 -7.856 9.069 -3.873 1.00 0.00 C ATOM 766 SD MET A 50 -7.180 10.505 -2.994 1.00 0.00 S ATOM 767 CE MET A 50 -8.012 10.338 -1.407 1.00 0.00 C ATOM 0 H MET A 50 -8.902 6.237 -3.453 1.00 0.00 H new ATOM 0 HA MET A 50 -9.918 8.515 -1.853 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.689 8.498 -4.834 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.851 9.852 -3.733 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.401 8.173 -3.451 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.534 9.130 -4.913 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.519 10.971 -0.669 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.053 10.643 -1.508 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.969 9.299 -1.081 1.00 0.00 H new ATOM 777 N GLY A 51 -12.307 7.777 -2.325 1.00 0.00 N ATOM 778 CA GLY A 51 -13.663 7.228 -2.389 1.00 0.00 C ATOM 779 C GLY A 51 -13.864 6.115 -1.355 1.00 0.00 C ATOM 780 O GLY A 51 -12.898 5.544 -0.833 1.00 0.00 O ATOM 0 H GLY A 51 -12.192 8.465 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.388 8.023 -2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.852 6.837 -3.389 1.00 0.00 H new ATOM 784 N TYR A 52 -15.119 5.799 -1.036 1.00 0.00 N ATOM 785 CA TYR A 52 -15.476 4.778 -0.055 1.00 0.00 C ATOM 786 C TYR A 52 -15.152 3.399 -0.619 1.00 0.00 C ATOM 787 O TYR A 52 -15.486 3.119 -1.768 1.00 0.00 O ATOM 788 CB TYR A 52 -16.965 4.875 0.322 1.00 0.00 C ATOM 789 CG TYR A 52 -17.223 5.373 1.728 1.00 0.00 C ATOM 790 CD1 TYR A 52 -17.161 4.494 2.828 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.555 6.721 1.929 1.00 0.00 C ATOM 792 CE1 TYR A 52 -17.456 4.971 4.118 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.854 7.204 3.213 1.00 0.00 C ATOM 794 CZ TYR A 52 -17.800 6.326 4.317 1.00 0.00 C ATOM 795 OH TYR A 52 -18.063 6.790 5.571 1.00 0.00 O ATOM 0 H TYR A 52 -15.928 6.253 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.894 4.940 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.463 5.540 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.421 3.891 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -16.888 3.459 2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.581 7.395 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -17.419 4.297 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -18.123 8.240 3.355 1.00 0.00 H new ATOM 0 HH TYR A 52 -18.282 7.744 5.528 1.00 0.00 H new ATOM 805 N THR A 53 -14.500 2.565 0.197 1.00 0.00 N ATOM 806 CA THR A 53 -14.223 1.141 0.063 1.00 0.00 C ATOM 807 C THR A 53 -13.376 0.732 1.252 1.00 0.00 C ATOM 808 O THR A 53 -12.192 1.073 1.302 1.00 0.00 O ATOM 809 CB THR A 53 -13.520 0.798 -1.254 1.00 0.00 C ATOM 810 OG1 THR A 53 -14.449 0.825 -2.298 1.00 0.00 O ATOM 811 CG2 THR A 53 -12.861 -0.576 -1.278 1.00 0.00 C ATOM 0 H THR A 53 -14.110 2.920 1.070 1.00 0.00 H new ATOM 0 HA THR A 53 -15.164 0.591 0.044 1.00 0.00 H new ATOM 0 HB THR A 53 -12.735 1.546 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.802 1.734 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.388 -0.736 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.107 -0.632 -0.492 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.616 -1.345 -1.112 1.00 0.00 H new ATOM 819 N LYS A 54 -13.984 0.003 2.188 1.00 0.00 N ATOM 820 CA LYS A 54 -13.283 -0.668 3.281 1.00 0.00 C ATOM 821 C LYS A 54 -12.858 -2.092 2.911 1.00 0.00 C ATOM 822 O LYS A 54 -12.154 -2.738 3.684 1.00 0.00 O ATOM 823 CB LYS A 54 -14.212 -0.659 4.507 1.00 0.00 C ATOM 824 CG LYS A 54 -14.237 0.722 5.179 1.00 0.00 C ATOM 825 CD LYS A 54 -13.170 0.905 6.271 1.00 0.00 C ATOM 826 CE LYS A 54 -13.722 0.366 7.590 1.00 0.00 C ATOM 827 NZ LYS A 54 -12.820 0.585 8.736 1.00 0.00 N ATOM 0 H LYS A 54 -14.994 -0.140 2.208 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.358 -0.135 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.221 -0.936 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.878 -1.409 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.097 1.488 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.222 0.884 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.257 0.376 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.910 1.959 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.681 0.842 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.912 -0.702 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.253 0.197 9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.913 0.108 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.657 1.605 8.860 1.00 0.00 H new ATOM 841 N LEU A 55 -13.308 -2.602 1.759 1.00 0.00 N ATOM 842 CA LEU A 55 -13.207 -4.001 1.354 1.00 0.00 C ATOM 843 C LEU A 55 -11.871 -4.261 0.642 1.00 0.00 C ATOM 844 O LEU A 55 -11.840 -4.657 -0.525 1.00 0.00 O ATOM 845 CB LEU A 55 -14.422 -4.368 0.469 1.00 0.00 C ATOM 846 CG LEU A 55 -15.769 -4.602 1.184 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.707 -5.810 2.128 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.308 -3.384 1.947 1.00 0.00 C ATOM 0 H LEU A 55 -13.771 -2.024 1.057 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.225 -4.642 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.561 -3.571 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.174 -5.271 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.471 -4.799 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.674 -5.943 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.461 -6.706 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.941 -5.641 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.257 -3.640 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.591 -3.088 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.459 -2.557 1.253 1.00 0.00 H new ATOM 860 N THR A 56 -10.755 -4.022 1.327 1.00 0.00 N ATOM 861 CA THR A 56 -9.430 -4.311 0.797 1.00 0.00 C ATOM 862 C THR A 56 -9.236 -5.828 0.643 1.00 0.00 C ATOM 863 O THR A 56 -9.735 -6.596 1.468 1.00 0.00 O ATOM 864 CB THR A 56 -8.366 -3.735 1.753 1.00 0.00 C ATOM 865 OG1 THR A 56 -8.774 -2.540 2.399 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.051 -3.473 1.018 1.00 0.00 C ATOM 0 H THR A 56 -10.747 -3.622 2.265 1.00 0.00 H new ATOM 0 HA THR A 56 -9.326 -3.850 -0.185 1.00 0.00 H new ATOM 0 HB THR A 56 -8.226 -4.496 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.345 -2.480 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.319 -3.067 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.675 -4.407 0.600 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.220 -2.758 0.213 1.00 0.00 H new ATOM 874 N VAL A 57 -8.443 -6.267 -0.340 1.00 0.00 N ATOM 875 CA VAL A 57 -7.878 -7.607 -0.446 1.00 0.00 C ATOM 876 C VAL A 57 -6.397 -7.455 -0.823 1.00 0.00 C ATOM 877 O VAL A 57 -5.966 -6.463 -1.418 1.00 0.00 O ATOM 878 CB VAL A 57 -8.672 -8.470 -1.461 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.055 -9.873 -1.645 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.135 -8.648 -1.025 1.00 0.00 C ATOM 0 H VAL A 57 -8.168 -5.666 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.953 -8.137 0.504 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.626 -7.929 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.646 -10.439 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.033 -9.776 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.049 -10.396 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.662 -9.258 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.168 -9.141 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.615 -7.672 -0.953 1.00 0.00 H new ATOM 890 N ILE A 58 -5.607 -8.461 -0.454 1.00 0.00 N ATOM 891 CA ILE A 58 -4.211 -8.654 -0.808 1.00 0.00 C ATOM 892 C ILE A 58 -4.154 -10.159 -1.053 1.00 0.00 C ATOM 893 O ILE A 58 -4.340 -10.908 -0.097 1.00 0.00 O ATOM 894 CB ILE A 58 -3.279 -8.192 0.343 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.565 -6.721 0.729 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.810 -8.394 -0.063 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.671 -6.148 1.830 1.00 0.00 C ATOM 0 H ILE A 58 -5.954 -9.213 0.142 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.875 -8.075 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.477 -8.800 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.458 -6.102 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.604 -6.642 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.160 -8.068 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.631 -9.449 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.596 -7.808 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.952 -5.113 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.793 -6.735 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.630 -6.186 1.510 1.00 0.00 H new ATOM 909 N THR A 59 -4.051 -10.612 -2.301 1.00 0.00 N ATOM 910 CA THR A 59 -4.239 -12.008 -2.664 1.00 0.00 C ATOM 911 C THR A 59 -3.193 -12.904 -2.000 1.00 0.00 C ATOM 912 O THR A 59 -3.553 -13.944 -1.446 1.00 0.00 O ATOM 913 CB THR A 59 -4.266 -12.176 -4.208 1.00 0.00 C ATOM 914 OG1 THR A 59 -3.986 -10.972 -4.910 1.00 0.00 O ATOM 915 CG2 THR A 59 -5.634 -12.635 -4.713 1.00 0.00 C ATOM 0 H THR A 59 -3.832 -10.010 -3.095 1.00 0.00 H new ATOM 0 HA THR A 59 -5.209 -12.332 -2.286 1.00 0.00 H new ATOM 0 HB THR A 59 -3.493 -12.920 -4.401 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.016 -11.141 -5.875 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.605 -12.739 -5.798 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.884 -13.596 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.389 -11.898 -4.439 1.00 0.00 H new ATOM 923 N GLY A 60 -1.930 -12.474 -1.998 1.00 0.00 N ATOM 924 CA GLY A 60 -0.815 -13.240 -1.469 1.00 0.00 C ATOM 925 C GLY A 60 -0.296 -14.207 -2.498 1.00 0.00 C ATOM 926 O GLY A 60 -0.199 -13.826 -3.659 1.00 0.00 O ATOM 0 H GLY A 60 -1.655 -11.566 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.016 -12.564 -1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.131 -13.784 -0.579 1.00 0.00 H new ATOM 930 N LYS A 61 0.096 -15.404 -2.060 1.00 0.00 N ATOM 931 CA LYS A 61 0.647 -16.436 -2.928 1.00 0.00 C ATOM 932 C LYS A 61 -0.435 -17.034 -3.808 1.00 0.00 C ATOM 933 O LYS A 61 -0.588 -16.627 -4.955 1.00 0.00 O ATOM 934 CB LYS A 61 1.431 -17.494 -2.127 1.00 0.00 C ATOM 935 CG LYS A 61 2.588 -16.880 -1.323 1.00 0.00 C ATOM 936 CD LYS A 61 3.830 -17.764 -1.180 1.00 0.00 C ATOM 937 CE LYS A 61 5.085 -16.957 -0.801 1.00 0.00 C ATOM 938 NZ LYS A 61 6.010 -16.787 -1.938 1.00 0.00 N ATOM 0 H LYS A 61 0.038 -15.684 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 61 1.373 -15.972 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.752 -18.008 -1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.826 -18.245 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.882 -15.944 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.223 -16.631 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.646 -18.523 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.009 -18.289 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.785 -15.977 -0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.605 -17.460 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.986 -16.721 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.928 -17.603 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.769 -15.917 -2.454 1.00 0.00 H new ATOM 952 N ASP A 62 -1.201 -17.969 -3.264 1.00 0.00 N ATOM 953 CA ASP A 62 -2.179 -18.753 -4.009 1.00 0.00 C ATOM 954 C ASP A 62 -3.581 -18.175 -3.811 1.00 0.00 C ATOM 955 O ASP A 62 -4.590 -18.890 -3.809 1.00 0.00 O ATOM 956 CB ASP A 62 -2.019 -20.258 -3.688 1.00 0.00 C ATOM 957 CG ASP A 62 -1.776 -21.076 -4.963 1.00 0.00 C ATOM 958 OD1 ASP A 62 -1.069 -20.593 -5.877 1.00 0.00 O ATOM 959 OD2 ASP A 62 -2.288 -22.211 -5.087 1.00 0.00 O ATOM 0 H ASP A 62 -1.160 -18.209 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.999 -18.681 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.186 -20.399 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.915 -20.622 -3.185 1.00 0.00 H new ATOM 964 N GLY A 63 -3.646 -16.852 -3.648 1.00 0.00 N ATOM 965 CA GLY A 63 -4.881 -16.099 -3.610 1.00 0.00 C ATOM 966 C GLY A 63 -5.772 -16.482 -2.437 1.00 0.00 C ATOM 967 O GLY A 63 -6.977 -16.643 -2.629 1.00 0.00 O ATOM 0 H GLY A 63 -2.816 -16.269 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.650 -15.035 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.426 -16.257 -4.541 1.00 0.00 H new ATOM 971 N LYS A 64 -5.197 -16.617 -1.236 1.00 0.00 N ATOM 972 CA LYS A 64 -5.940 -16.974 -0.021 1.00 0.00 C ATOM 973 C LYS A 64 -6.123 -15.792 0.934 1.00 0.00 C ATOM 974 O LYS A 64 -6.567 -15.992 2.067 1.00 0.00 O ATOM 975 CB LYS A 64 -5.337 -18.217 0.650 1.00 0.00 C ATOM 976 CG LYS A 64 -5.450 -19.458 -0.247 1.00 0.00 C ATOM 977 CD LYS A 64 -5.244 -20.753 0.553 1.00 0.00 C ATOM 978 CE LYS A 64 -5.856 -21.993 -0.106 1.00 0.00 C ATOM 979 NZ LYS A 64 -7.325 -21.916 -0.244 1.00 0.00 N ATOM 0 H LYS A 64 -4.198 -16.481 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.952 -17.242 -0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.289 -18.032 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.847 -18.404 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.430 -19.476 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.709 -19.400 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.175 -20.917 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.678 -20.629 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.412 -22.128 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.599 -22.873 0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.707 -22.867 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.736 -21.534 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.567 -21.293 -1.041 1.00 0.00 H new ATOM 993 N ASN A 65 -5.852 -14.574 0.450 1.00 0.00 N ATOM 994 CA ASN A 65 -6.233 -13.289 1.038 1.00 0.00 C ATOM 995 C ASN A 65 -5.431 -13.056 2.313 1.00 0.00 C ATOM 996 O ASN A 65 -5.877 -13.401 3.400 1.00 0.00 O ATOM 997 CB ASN A 65 -7.752 -13.227 1.292 1.00 0.00 C ATOM 998 CG ASN A 65 -8.388 -11.859 1.340 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.389 -11.641 0.668 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -7.871 -10.943 2.138 1.00 0.00 N ATOM 0 H ASN A 65 -5.328 -14.455 -0.417 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.000 -12.488 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.249 -13.803 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.957 -13.728 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.306 -10.023 2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.037 -11.155 2.685 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.261 -12.427 2.226 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.343 -12.293 3.360 1.00 0.00 C ATOM 1009 C LEU A 66 -3.977 -11.578 4.554 1.00 0.00 C ATOM 1010 O LEU A 66 -3.687 -11.910 5.705 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.057 -11.567 2.949 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.289 -12.241 1.801 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.070 -11.548 1.682 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.087 -13.742 2.038 1.00 0.00 C ATOM 0 H LEU A 66 -3.920 -11.995 1.367 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.101 -13.309 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.307 -10.548 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.401 -11.495 3.817 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.869 -12.143 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.642 -12.004 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.079 -10.489 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.617 -11.656 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.540 -14.172 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.520 -13.892 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.058 -14.230 2.127 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.881 -10.626 4.293 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.632 -9.934 5.336 1.00 0.00 C ATOM 1028 C LEU A 67 -6.550 -10.875 6.127 1.00 0.00 C ATOM 1029 O LEU A 67 -6.982 -10.497 7.219 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.436 -8.771 4.727 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.596 -7.564 4.264 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -6.454 -6.632 3.398 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -5.036 -6.761 5.442 1.00 0.00 C ATOM 0 H LEU A 67 -5.110 -10.316 3.348 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.907 -9.537 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.001 -9.148 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.162 -8.427 5.464 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.758 -7.960 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.854 -5.781 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.814 -7.176 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.305 -6.276 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.452 -5.922 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.859 -6.386 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.398 -7.403 6.050 1.00 0.00 H new ATOM 1045 N TYR A 68 -6.847 -12.071 5.606 1.00 0.00 N ATOM 1046 CA TYR A 68 -7.632 -13.117 6.236 1.00 0.00 C ATOM 1047 C TYR A 68 -6.788 -14.363 6.565 1.00 0.00 C ATOM 1048 O TYR A 68 -7.264 -15.246 7.276 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.792 -13.433 5.288 1.00 0.00 C ATOM 1050 CG TYR A 68 -9.777 -14.438 5.827 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -10.531 -14.122 6.970 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.889 -15.710 5.234 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -11.354 -15.092 7.552 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -10.705 -16.691 5.823 1.00 0.00 C ATOM 1055 CZ TYR A 68 -11.413 -16.386 7.001 1.00 0.00 C ATOM 1056 OH TYR A 68 -12.109 -17.352 7.653 1.00 0.00 O ATOM 0 H TYR A 68 -6.522 -12.342 4.678 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.012 -12.779 7.200 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.322 -12.508 5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.386 -13.807 4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.475 -13.132 7.398 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.348 -15.932 4.326 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.944 -14.848 8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.788 -17.671 5.376 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.057 -18.190 7.148 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.528 -14.457 6.109 1.00 0.00 N ATOM 1067 CA ASN A 69 -4.578 -15.455 6.616 1.00 0.00 C ATOM 1068 C ASN A 69 -4.387 -15.207 8.106 1.00 0.00 C ATOM 1069 O ASN A 69 -4.629 -16.088 8.932 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.196 -15.359 5.939 1.00 0.00 C ATOM 1071 CG ASN A 69 -2.957 -16.380 4.844 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -2.803 -16.033 3.681 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -2.862 -17.652 5.186 1.00 0.00 N ATOM 0 H ASN A 69 -5.144 -13.849 5.386 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.987 -16.443 6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.081 -14.360 5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.424 -15.475 6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.658 -18.357 4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.992 -17.930 6.159 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.923 -13.992 8.417 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.592 -13.555 9.758 1.00 0.00 C ATOM 1082 C GLY A 70 -2.444 -12.546 9.747 1.00 0.00 C ATOM 1083 O GLY A 70 -2.435 -11.647 10.588 1.00 0.00 O ATOM 0 H GLY A 70 -3.766 -13.271 7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.469 -13.105 10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.316 -14.417 10.366 1.00 0.00 H new ATOM 1087 N THR A 71 -1.499 -12.642 8.809 1.00 0.00 N ATOM 1088 CA THR A 71 -0.247 -11.893 8.915 1.00 0.00 C ATOM 1089 C THR A 71 -0.464 -10.428 8.547 1.00 0.00 C ATOM 1090 O THR A 71 -0.225 -9.554 9.375 1.00 0.00 O ATOM 1091 CB THR A 71 0.853 -12.518 8.045 1.00 0.00 C ATOM 1092 OG1 THR A 71 0.769 -13.930 8.023 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.251 -12.134 8.513 1.00 0.00 C ATOM 0 H THR A 71 -1.576 -13.225 7.976 1.00 0.00 H new ATOM 0 HA THR A 71 0.085 -11.941 9.952 1.00 0.00 H new ATOM 0 HB THR A 71 0.687 -12.122 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.484 -14.291 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.993 -12.601 7.865 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.364 -11.051 8.471 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.398 -12.475 9.538 1.00 0.00 H new ATOM 1101 N ALA A 72 -0.904 -10.160 7.310 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.240 -8.806 6.906 1.00 0.00 C ATOM 1103 C ALA A 72 -2.435 -8.383 7.734 1.00 0.00 C ATOM 1104 O ALA A 72 -3.452 -9.074 7.788 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.528 -8.729 5.401 1.00 0.00 C ATOM 0 H ALA A 72 -1.032 -10.864 6.583 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.403 -8.130 7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.776 -7.703 5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.646 -9.048 4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.366 -9.382 5.157 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.296 -7.251 8.402 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.292 -6.688 9.286 1.00 0.00 C ATOM 1113 C LYS A 73 -3.131 -5.182 9.205 1.00 0.00 C ATOM 1114 O LYS A 73 -2.034 -4.704 8.896 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.010 -7.257 10.683 1.00 0.00 C ATOM 1116 CG LYS A 73 -3.919 -6.649 11.747 1.00 0.00 C ATOM 1117 CD LYS A 73 -4.054 -7.526 13.002 1.00 0.00 C ATOM 1118 CE LYS A 73 -4.831 -8.816 12.701 1.00 0.00 C ATOM 1119 NZ LYS A 73 -5.106 -9.616 13.911 1.00 0.00 N ATOM 0 H LYS A 73 -1.453 -6.680 8.339 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.322 -6.933 9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.145 -8.338 10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.969 -7.070 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.529 -5.673 12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.908 -6.484 11.319 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.063 -7.776 13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.564 -6.966 13.786 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.774 -8.562 12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.263 -9.420 11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.632 -10.474 13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.208 -9.885 14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.672 -9.054 14.578 1.00 0.00 H new ATOM 1133 N MET A 74 -4.193 -4.424 9.470 1.00 0.00 N ATOM 1134 CA MET A 74 -4.032 -2.992 9.647 1.00 0.00 C ATOM 1135 C MET A 74 -3.763 -2.667 11.103 1.00 0.00 C ATOM 1136 O MET A 74 -4.241 -3.345 12.018 1.00 0.00 O ATOM 1137 CB MET A 74 -5.204 -2.195 9.104 1.00 0.00 C ATOM 1138 CG MET A 74 -6.514 -2.322 9.875 1.00 0.00 C ATOM 1139 SD MET A 74 -7.711 -1.006 9.514 1.00 0.00 S ATOM 1140 CE MET A 74 -7.436 -0.818 7.739 1.00 0.00 C ATOM 0 H MET A 74 -5.148 -4.770 9.564 1.00 0.00 H new ATOM 0 HA MET A 74 -3.167 -2.689 9.057 1.00 0.00 H new ATOM 0 HB2 MET A 74 -4.921 -1.143 9.078 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.381 -2.503 8.073 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.968 -3.286 9.644 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.297 -2.319 10.943 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.239 -0.221 7.308 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.482 -0.319 7.569 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.421 -1.800 7.267 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.033 -1.582 11.298 1.00 0.00 N ATOM 1151 CA PHE A 75 -2.658 -1.097 12.609 1.00 0.00 C ATOM 1152 C PHE A 75 -2.761 0.426 12.691 1.00 0.00 C ATOM 1153 O PHE A 75 -2.411 0.981 13.731 1.00 0.00 O ATOM 1154 CB PHE A 75 -1.256 -1.615 12.943 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.174 -1.165 11.985 1.00 0.00 C ATOM 1156 CD1 PHE A 75 0.076 -1.883 10.802 1.00 0.00 C ATOM 1157 CD2 PHE A 75 0.602 -0.040 12.298 1.00 0.00 C ATOM 1158 CE1 PHE A 75 1.136 -1.497 9.965 1.00 0.00 C ATOM 1159 CE2 PHE A 75 1.667 0.343 11.464 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.948 -0.412 10.313 1.00 0.00 C ATOM 0 H PHE A 75 -2.680 -1.006 10.534 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.353 -1.478 13.357 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.992 -1.288 13.949 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.279 -2.705 12.958 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.544 -2.727 10.538 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.380 0.535 13.185 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.325 -2.039 9.050 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.264 1.210 11.706 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.795 -0.154 9.694 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.259 1.132 11.657 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.347 2.595 11.721 1.00 0.00 C ATOM 1172 C LYS A 76 -4.371 3.003 10.682 1.00 0.00 C ATOM 1173 O LYS A 76 -4.412 2.364 9.632 1.00 0.00 O ATOM 1174 CB LYS A 76 -1.940 3.160 11.448 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.820 4.686 11.450 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.371 5.056 11.093 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.180 6.544 10.785 1.00 0.00 C ATOM 1178 NZ LYS A 76 -0.188 7.389 11.992 1.00 0.00 N ATOM 0 H LYS A 76 -3.598 0.720 10.788 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.665 2.981 12.690 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.257 2.760 12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.602 2.790 10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.512 5.122 10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.084 5.087 12.429 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.281 4.777 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.057 4.471 10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.764 6.682 10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.971 6.874 10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.055 8.384 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.098 7.283 12.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.583 7.097 12.625 1.00 0.00 H new ATOM 1192 N SER A 77 -5.218 3.999 10.938 1.00 0.00 N ATOM 1193 CA SER A 77 -6.224 4.450 9.977 1.00 0.00 C ATOM 1194 C SER A 77 -6.593 5.888 10.304 1.00 0.00 C ATOM 1195 O SER A 77 -7.210 6.135 11.330 1.00 0.00 O ATOM 1196 CB SER A 77 -7.421 3.475 9.977 1.00 0.00 C ATOM 1197 OG SER A 77 -8.184 3.434 11.170 1.00 0.00 O ATOM 0 H SER A 77 -5.226 4.516 11.817 1.00 0.00 H new ATOM 0 HA SER A 77 -5.838 4.443 8.958 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.083 3.743 9.154 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.048 2.472 9.772 1.00 0.00 H new ATOM 0 HG SER A 77 -8.098 4.288 11.643 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.144 6.864 9.519 1.00 0.00 N ATOM 1204 CA ASP A 78 -6.347 8.306 9.788 1.00 0.00 C ATOM 1205 C ASP A 78 -7.323 8.834 8.753 1.00 0.00 C ATOM 1206 O ASP A 78 -8.038 8.048 8.120 1.00 0.00 O ATOM 1207 CB ASP A 78 -5.004 9.058 9.817 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.915 10.056 10.960 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.675 11.044 10.966 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.019 9.876 11.837 1.00 0.00 O ATOM 0 H ASP A 78 -5.620 6.685 8.663 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.776 8.467 10.777 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.191 8.338 9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.865 9.582 8.871 1.00 0.00 H new ATOM 1215 N ALA A 79 -7.401 10.152 8.626 1.00 0.00 N ATOM 1216 CA ALA A 79 -8.190 10.850 7.625 1.00 0.00 C ATOM 1217 C ALA A 79 -7.297 11.669 6.685 1.00 0.00 C ATOM 1218 O ALA A 79 -6.166 12.013 7.022 1.00 0.00 O ATOM 1219 CB ALA A 79 -9.217 11.723 8.358 1.00 0.00 C ATOM 0 H ALA A 79 -6.895 10.788 9.243 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.713 10.135 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.824 12.260 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.860 11.091 8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.697 12.439 8.995 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.836 12.009 5.515 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.231 12.839 4.482 1.00 0.00 C ATOM 1227 C ILE A 80 -8.281 13.858 4.080 1.00 0.00 C ATOM 1228 O ILE A 80 -9.354 13.482 3.596 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.826 11.998 3.252 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.929 10.819 3.651 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.166 12.888 2.183 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -5.517 9.987 2.440 1.00 0.00 C ATOM 0 H ILE A 80 -8.768 11.690 5.249 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.325 13.314 4.860 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.730 11.572 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.038 11.194 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.456 10.186 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.887 12.278 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.868 13.660 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.275 13.357 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.883 9.162 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.407 9.590 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.967 10.614 1.738 1.00 0.00 H new ATOM 1244 N LEU A 81 -7.988 15.143 4.265 1.00 0.00 N ATOM 1245 CA LEU A 81 -8.841 16.171 3.700 1.00 0.00 C ATOM 1246 C LEU A 81 -8.383 16.472 2.276 1.00 0.00 C ATOM 1247 O LEU A 81 -7.177 16.511 1.999 1.00 0.00 O ATOM 1248 CB LEU A 81 -8.858 17.444 4.552 1.00 0.00 C ATOM 1249 CG LEU A 81 -9.213 17.266 6.042 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -9.533 18.618 6.676 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -10.373 16.292 6.280 1.00 0.00 C ATOM 0 H LEU A 81 -7.184 15.487 4.790 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.865 15.798 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.875 17.911 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.571 18.141 4.112 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.334 16.829 6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.782 18.477 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.666 19.273 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.380 19.070 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.569 16.214 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.266 16.658 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.110 15.310 5.887 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.334 16.724 1.376 1.00 0.00 N ATOM 1264 CA GLY A 82 -9.059 17.402 0.118 1.00 0.00 C ATOM 1265 C GLY A 82 -9.207 18.900 0.334 1.00 0.00 C ATOM 1266 O GLY A 82 -9.747 19.309 1.360 1.00 0.00 O ATOM 0 H GLY A 82 -10.312 16.463 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.052 17.167 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.748 17.061 -0.655 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.771 19.717 -0.625 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.494 21.157 -0.468 1.00 0.00 C ATOM 1272 C GLN A 83 -9.748 22.036 -0.261 1.00 0.00 C ATOM 1273 O GLN A 83 -9.708 23.262 -0.380 1.00 0.00 O ATOM 1274 CB GLN A 83 -7.616 21.668 -1.631 1.00 0.00 C ATOM 1275 CG GLN A 83 -6.541 20.656 -2.075 1.00 0.00 C ATOM 1276 CD GLN A 83 -5.281 21.308 -2.658 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -5.333 22.277 -3.410 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -4.101 20.812 -2.316 1.00 0.00 N ATOM 0 H GLN A 83 -8.592 19.387 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.940 21.256 0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.255 21.906 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.129 22.595 -1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.259 20.041 -1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.971 19.987 -2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.048 20.007 -1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.246 21.235 -2.677 1.00 0.00 H new ATOM 1287 N ASN A 84 -10.888 21.434 0.058 1.00 0.00 N ATOM 1288 CA ASN A 84 -12.113 22.075 0.522 1.00 0.00 C ATOM 1289 C ASN A 84 -12.640 21.384 1.785 1.00 0.00 C ATOM 1290 O ASN A 84 -13.845 21.401 2.035 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.154 22.195 -0.609 1.00 0.00 C ATOM 1292 CG ASN A 84 -13.556 20.876 -1.248 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -14.554 20.259 -0.886 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.758 20.407 -2.194 1.00 0.00 N ATOM 0 H ASN A 84 -10.988 20.421 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.887 23.102 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.047 22.677 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.755 22.851 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.966 19.514 -2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.935 20.939 -2.477 1.00 0.00 H new ATOM 1301 N LYS A 85 -11.748 20.824 2.616 1.00 0.00 N ATOM 1302 CA LYS A 85 -12.040 20.104 3.859 1.00 0.00 C ATOM 1303 C LYS A 85 -12.914 18.858 3.656 1.00 0.00 C ATOM 1304 O LYS A 85 -13.473 18.321 4.607 1.00 0.00 O ATOM 1305 CB LYS A 85 -12.552 21.071 4.944 1.00 0.00 C ATOM 1306 CG LYS A 85 -11.474 22.087 5.363 1.00 0.00 C ATOM 1307 CD LYS A 85 -12.013 23.138 6.344 1.00 0.00 C ATOM 1308 CE LYS A 85 -12.818 24.228 5.623 1.00 0.00 C ATOM 1309 NZ LYS A 85 -11.958 25.229 4.953 1.00 0.00 N ATOM 0 H LYS A 85 -10.747 20.865 2.425 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.100 19.693 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.427 21.603 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.872 20.501 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.639 21.558 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.085 22.587 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.644 22.652 7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.182 23.595 6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.470 23.763 4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.462 24.733 6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.554 25.940 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.354 25.696 5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.361 24.756 4.245 1.00 0.00 H new ATOM 1323 N VAL A 86 -13.031 18.377 2.423 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.792 17.194 2.024 1.00 0.00 C ATOM 1325 C VAL A 86 -13.089 15.912 2.482 1.00 0.00 C ATOM 1326 O VAL A 86 -11.857 15.857 2.467 1.00 0.00 O ATOM 1327 CB VAL A 86 -14.077 17.237 0.517 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -12.814 17.651 -0.211 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.657 15.940 -0.070 1.00 0.00 C ATOM 0 H VAL A 86 -12.573 18.826 1.630 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.760 17.194 2.525 1.00 0.00 H new ATOM 0 HB VAL A 86 -14.867 17.974 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -13.007 17.684 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -12.503 18.637 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.023 16.929 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.825 16.068 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.956 15.122 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.603 15.710 0.420 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.838 14.857 2.809 1.00 0.00 N ATOM 1340 CA VAL A 87 -13.272 13.550 3.121 1.00 0.00 C ATOM 1341 C VAL A 87 -12.972 12.833 1.789 1.00 0.00 C ATOM 1342 O VAL A 87 -13.749 11.999 1.320 1.00 0.00 O ATOM 1343 CB VAL A 87 -14.237 12.744 4.030 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -13.550 11.520 4.658 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -14.813 13.568 5.194 1.00 0.00 C ATOM 0 H VAL A 87 -14.856 14.889 2.864 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.343 13.650 3.681 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.041 12.444 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -14.262 10.985 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.194 10.858 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.706 11.848 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -15.479 12.942 5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.999 13.930 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -15.370 14.417 4.798 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.872 13.183 1.111 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.559 12.571 -0.189 1.00 0.00 C ATOM 1357 C ILE A 88 -11.260 11.076 -0.058 1.00 0.00 C ATOM 1358 O ILE A 88 -11.522 10.312 -0.988 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.417 13.306 -0.922 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.127 13.465 -0.091 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -10.962 14.656 -1.399 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -7.950 13.953 -0.948 1.00 0.00 C ATOM 0 H ILE A 88 -11.194 13.874 1.432 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.454 12.676 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.104 12.694 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.303 14.171 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.871 12.510 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.176 15.201 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.801 14.491 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.296 15.237 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.062 14.051 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.756 13.234 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.195 14.921 -1.386 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.749 10.641 1.086 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.324 9.273 1.312 1.00 0.00 C ATOM 1376 C GLY A 89 -9.632 9.198 2.661 1.00 0.00 C ATOM 1377 O GLY A 89 -9.683 10.163 3.427 1.00 0.00 O ATOM 0 H GLY A 89 -10.617 11.245 1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.182 8.601 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.647 8.952 0.521 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.979 8.080 2.958 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.314 7.838 4.231 1.00 0.00 C ATOM 1383 C TRP A 90 -6.985 7.166 3.902 1.00 0.00 C ATOM 1384 O TRP A 90 -6.914 6.436 2.908 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.188 6.922 5.091 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.570 7.387 5.411 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.958 8.082 6.501 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.755 7.261 4.576 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -12.285 8.446 6.363 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.829 7.959 5.196 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -12.008 6.660 3.328 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -14.088 8.078 4.588 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.258 6.788 2.699 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.291 7.507 3.323 1.00 0.00 C ATOM 0 H TRP A 90 -8.896 7.300 2.306 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.149 8.760 4.789 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.266 5.960 4.585 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.666 6.746 6.032 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.331 8.317 7.348 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.798 9.007 7.043 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.227 6.090 2.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.890 8.602 5.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.425 6.333 1.734 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.244 7.620 2.827 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.937 7.387 4.707 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.610 6.854 4.383 1.00 0.00 C ATOM 1407 C ASP A 91 -4.581 5.483 5.069 1.00 0.00 C ATOM 1408 O ASP A 91 -4.458 5.398 6.294 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.481 7.846 4.780 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.504 8.380 3.718 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.775 8.278 2.503 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -1.490 8.993 4.143 1.00 0.00 O ATOM 0 H ASP A 91 -5.981 7.923 5.574 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.425 6.730 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.959 8.710 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.884 7.362 5.553 1.00 0.00 H new ATOM 1417 N LYS A 92 -4.891 4.409 4.337 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.064 3.085 4.939 1.00 0.00 C ATOM 1419 C LYS A 92 -3.723 2.361 5.028 1.00 0.00 C ATOM 1420 O LYS A 92 -3.056 2.182 4.004 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.142 2.280 4.196 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.519 2.228 4.883 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.002 3.548 5.510 1.00 0.00 C ATOM 1424 CE LYS A 92 -9.460 3.359 5.960 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.027 4.424 6.818 1.00 0.00 N ATOM 0 H LYS A 92 -5.027 4.431 3.326 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.425 3.200 5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.268 2.706 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.782 1.260 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.258 1.903 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.487 1.467 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.374 3.818 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.929 4.361 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.083 3.269 5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.532 2.413 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.681 4.002 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.258 4.910 7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.541 5.108 6.228 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.298 2.000 6.240 1.00 0.00 N ATOM 1440 CA TYR A 93 -2.005 1.382 6.508 1.00 0.00 C ATOM 1441 C TYR A 93 -2.179 -0.120 6.749 1.00 0.00 C ATOM 1442 O TYR A 93 -3.155 -0.532 7.379 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.425 2.018 7.771 1.00 0.00 C ATOM 1444 CG TYR A 93 -1.106 3.497 7.659 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -2.068 4.472 7.987 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.173 3.903 7.243 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.751 5.841 7.917 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.510 5.262 7.224 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.451 6.244 7.538 1.00 0.00 C ATOM 1450 OH TYR A 93 -0.086 7.559 7.498 1.00 0.00 O ATOM 0 H TYR A 93 -3.860 2.134 7.081 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.343 1.532 5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.132 1.876 8.588 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.513 1.485 8.042 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.057 4.166 8.295 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.899 3.164 6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.500 6.582 8.153 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.515 5.560 6.966 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.597 8.061 8.167 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.201 -0.927 6.327 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.192 -2.390 6.446 1.00 0.00 C ATOM 1462 C PHE A 94 0.215 -2.905 6.771 1.00 0.00 C ATOM 1463 O PHE A 94 1.187 -2.240 6.393 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.660 -2.995 5.114 1.00 0.00 C ATOM 1465 CG PHE A 94 -3.057 -2.566 4.708 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.177 -3.159 5.321 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -3.239 -1.542 3.756 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.474 -2.757 4.962 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -4.538 -1.144 3.400 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.656 -1.746 4.004 1.00 0.00 C ATOM 0 H PHE A 94 -0.361 -0.566 5.875 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.860 -2.684 7.256 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.959 -2.710 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.630 -4.082 5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.039 -3.925 6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.383 -1.065 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.331 -3.225 5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.679 -0.372 2.658 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.653 -1.432 3.732 1.00 0.00 H new ATOM 1480 N GLU A 95 0.317 -4.084 7.410 1.00 0.00 N ATOM 1481 CA GLU A 95 1.579 -4.740 7.790 1.00 0.00 C ATOM 1482 C GLU A 95 1.795 -6.080 7.083 1.00 0.00 C ATOM 1483 O GLU A 95 1.506 -7.133 7.645 1.00 0.00 O ATOM 1484 CB GLU A 95 1.605 -4.973 9.307 1.00 0.00 C ATOM 1485 CG GLU A 95 3.060 -5.067 9.768 1.00 0.00 C ATOM 1486 CD GLU A 95 3.182 -5.226 11.279 1.00 0.00 C ATOM 1487 OE1 GLU A 95 3.177 -4.206 12.000 1.00 0.00 O ATOM 1488 OE2 GLU A 95 3.295 -6.380 11.760 1.00 0.00 O ATOM 0 H GLU A 95 -0.504 -4.623 7.685 1.00 0.00 H new ATOM 0 HA GLU A 95 2.383 -4.071 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.098 -4.157 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.070 -5.889 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.540 -5.913 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.596 -4.171 9.455 1.00 0.00 H new ATOM 1495 N ILE A 96 2.250 -6.079 5.839 1.00 0.00 N ATOM 1496 CA ILE A 96 2.294 -7.315 5.071 1.00 0.00 C ATOM 1497 C ILE A 96 3.637 -8.040 5.332 1.00 0.00 C ATOM 1498 O ILE A 96 4.662 -7.373 5.483 1.00 0.00 O ATOM 1499 CB ILE A 96 2.028 -6.965 3.596 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.754 -6.088 3.442 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.841 -8.215 2.727 1.00 0.00 C ATOM 1502 CD1 ILE A 96 1.067 -4.664 3.009 1.00 0.00 C ATOM 0 H ILE A 96 2.588 -5.252 5.346 1.00 0.00 H new ATOM 0 HA ILE A 96 1.522 -8.022 5.376 1.00 0.00 H new ATOM 0 HB ILE A 96 2.909 -6.417 3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.089 -6.547 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.218 -6.065 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.656 -7.916 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.742 -8.827 2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.992 -8.791 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.139 -4.099 2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.709 -4.191 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.578 -4.680 2.046 1.00 0.00 H new ATOM 1514 N PRO A 97 3.668 -9.388 5.364 1.00 0.00 N ATOM 1515 CA PRO A 97 4.894 -10.174 5.281 1.00 0.00 C ATOM 1516 C PRO A 97 5.643 -9.892 3.983 1.00 0.00 C ATOM 1517 O PRO A 97 5.069 -9.545 2.950 1.00 0.00 O ATOM 1518 CB PRO A 97 4.448 -11.645 5.300 1.00 0.00 C ATOM 1519 CG PRO A 97 2.997 -11.613 4.859 1.00 0.00 C ATOM 1520 CD PRO A 97 2.521 -10.275 5.390 1.00 0.00 C ATOM 0 HA PRO A 97 5.566 -9.929 6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.053 -12.251 4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.550 -12.077 6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.901 -11.677 3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.427 -12.442 5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.712 -9.880 4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.132 -10.376 6.403 1.00 0.00 H new ATOM 1528 N MET A 98 6.937 -10.163 4.027 1.00 0.00 N ATOM 1529 CA MET A 98 7.815 -10.201 2.867 1.00 0.00 C ATOM 1530 C MET A 98 8.082 -11.640 2.401 1.00 0.00 C ATOM 1531 O MET A 98 8.905 -11.842 1.504 1.00 0.00 O ATOM 1532 CB MET A 98 9.157 -9.555 3.213 1.00 0.00 C ATOM 1533 CG MET A 98 9.155 -8.037 3.243 1.00 0.00 C ATOM 1534 SD MET A 98 10.796 -7.462 3.725 1.00 0.00 S ATOM 1535 CE MET A 98 10.552 -5.684 3.717 1.00 0.00 C ATOM 0 H MET A 98 7.422 -10.370 4.900 1.00 0.00 H new ATOM 0 HA MET A 98 7.316 -9.657 2.065 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.478 -9.921 4.188 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.900 -9.887 2.488 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.889 -7.641 2.263 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.406 -7.675 3.947 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.248 -5.218 4.414 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.729 -5.297 2.714 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.530 -5.456 4.019 1.00 0.00 H new ATOM 1545 N ASP A 99 7.414 -12.650 2.965 1.00 0.00 N ATOM 1546 CA ASP A 99 7.645 -14.054 2.610 1.00 0.00 C ATOM 1547 C ASP A 99 6.346 -14.829 2.326 1.00 0.00 C ATOM 1548 O ASP A 99 6.349 -16.062 2.326 1.00 0.00 O ATOM 1549 CB ASP A 99 8.514 -14.698 3.696 1.00 0.00 C ATOM 1550 CG ASP A 99 9.605 -15.575 3.085 1.00 0.00 C ATOM 1551 OD1 ASP A 99 9.335 -16.765 2.814 1.00 0.00 O ATOM 1552 OD2 ASP A 99 10.757 -15.085 2.962 1.00 0.00 O ATOM 0 H ASP A 99 6.698 -12.518 3.680 1.00 0.00 H new ATOM 0 HA ASP A 99 8.182 -14.096 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.970 -13.920 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.889 -15.299 4.357 1.00 0.00 H new ATOM 1557 N ALA A 100 5.226 -14.129 2.096 1.00 0.00 N ATOM 1558 CA ALA A 100 3.912 -14.731 1.813 1.00 0.00 C ATOM 1559 C ALA A 100 3.155 -14.094 0.630 1.00 0.00 C ATOM 1560 O ALA A 100 1.960 -14.332 0.457 1.00 0.00 O ATOM 1561 CB ALA A 100 3.049 -14.739 3.076 1.00 0.00 C ATOM 0 H ALA A 100 5.206 -13.109 2.101 1.00 0.00 H new ATOM 0 HA ALA A 100 4.116 -15.755 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.081 -15.187 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.546 -15.320 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.904 -13.716 3.424 1.00 0.00 H new ATOM 1567 N LEU A 101 3.805 -13.274 -0.192 1.00 0.00 N ATOM 1568 CA LEU A 101 3.244 -12.751 -1.440 1.00 0.00 C ATOM 1569 C LEU A 101 3.659 -13.670 -2.581 1.00 0.00 C ATOM 1570 O LEU A 101 4.683 -14.346 -2.482 1.00 0.00 O ATOM 1571 CB LEU A 101 3.770 -11.333 -1.715 1.00 0.00 C ATOM 1572 CG LEU A 101 3.391 -10.332 -0.609 1.00 0.00 C ATOM 1573 CD1 LEU A 101 4.342 -9.140 -0.579 1.00 0.00 C ATOM 1574 CD2 LEU A 101 1.943 -9.867 -0.807 1.00 0.00 C ATOM 0 H LEU A 101 4.754 -12.947 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 101 2.158 -12.710 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.855 -11.365 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.374 -10.982 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 101 3.477 -10.837 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.042 -8.455 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.358 -9.489 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.307 -8.622 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.678 -9.158 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.846 -9.385 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.275 -10.727 -0.760 1.00 0.00 H new ATOM 1586 N GLN A 102 2.868 -13.705 -3.657 1.00 0.00 N ATOM 1587 CA GLN A 102 3.155 -14.564 -4.811 1.00 0.00 C ATOM 1588 C GLN A 102 4.577 -14.419 -5.342 1.00 0.00 C ATOM 1589 O GLN A 102 5.135 -15.408 -5.812 1.00 0.00 O ATOM 1590 CB GLN A 102 2.143 -14.328 -5.944 1.00 0.00 C ATOM 1591 CG GLN A 102 2.083 -15.528 -6.893 1.00 0.00 C ATOM 1592 CD GLN A 102 0.982 -15.352 -7.932 1.00 0.00 C ATOM 1593 OE1 GLN A 102 1.208 -14.763 -8.988 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.230 -15.800 -7.657 1.00 0.00 N ATOM 0 H GLN A 102 2.020 -13.146 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 102 3.059 -15.586 -4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.155 -14.146 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.420 -13.434 -6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.044 -15.648 -7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.906 -16.439 -6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.406 -16.287 -6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.989 -15.659 -8.323 1.00 0.00 H new ATOM 1603 N ASP A 103 5.167 -13.231 -5.257 1.00 0.00 N ATOM 1604 CA ASP A 103 6.594 -13.054 -5.478 1.00 0.00 C ATOM 1605 C ASP A 103 7.070 -11.826 -4.700 1.00 0.00 C ATOM 1606 O ASP A 103 6.265 -11.227 -3.976 1.00 0.00 O ATOM 1607 CB ASP A 103 6.871 -12.931 -6.983 1.00 0.00 C ATOM 1608 CG ASP A 103 8.241 -13.460 -7.377 1.00 0.00 C ATOM 1609 OD1 ASP A 103 9.095 -13.669 -6.484 1.00 0.00 O ATOM 1610 OD2 ASP A 103 8.379 -13.753 -8.588 1.00 0.00 O ATOM 0 H ASP A 103 4.670 -12.369 -5.034 1.00 0.00 H new ATOM 0 HA ASP A 103 7.150 -13.919 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.104 -13.476 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.793 -11.884 -7.278 1.00 0.00 H new ATOM 1615 N ASN A 104 8.333 -11.418 -4.856 1.00 0.00 N ATOM 1616 CA ASN A 104 8.889 -10.218 -4.234 1.00 0.00 C ATOM 1617 C ASN A 104 8.342 -8.970 -4.932 1.00 0.00 C ATOM 1618 O ASN A 104 9.048 -8.255 -5.640 1.00 0.00 O ATOM 1619 CB ASN A 104 10.432 -10.212 -4.240 1.00 0.00 C ATOM 1620 CG ASN A 104 11.089 -11.250 -3.344 1.00 0.00 C ATOM 1621 OD1 ASN A 104 10.435 -12.100 -2.740 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.401 -11.203 -3.221 1.00 0.00 N ATOM 0 H ASN A 104 9.008 -11.924 -5.429 1.00 0.00 H new ATOM 0 HA ASN A 104 8.579 -10.216 -3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.776 -10.369 -5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.776 -9.223 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.881 -11.874 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.935 -10.495 -3.725 1.00 0.00 H new ATOM 1629 N SER A 105 7.065 -8.677 -4.727 1.00 0.00 N ATOM 1630 CA SER A 105 6.445 -7.418 -5.090 1.00 0.00 C ATOM 1631 C SER A 105 5.250 -7.173 -4.177 1.00 0.00 C ATOM 1632 O SER A 105 4.694 -8.121 -3.624 1.00 0.00 O ATOM 1633 CB SER A 105 5.925 -7.444 -6.526 1.00 0.00 C ATOM 1634 OG SER A 105 6.399 -8.474 -7.372 1.00 0.00 O ATOM 0 H SER A 105 6.416 -9.331 -4.290 1.00 0.00 H new ATOM 0 HA SER A 105 7.198 -6.636 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.838 -7.512 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.169 -6.488 -6.990 1.00 0.00 H new ATOM 0 HG SER A 105 7.199 -8.166 -7.846 1.00 0.00 H new ATOM 1640 N ILE A 106 4.764 -5.938 -4.118 1.00 0.00 N ATOM 1641 CA ILE A 106 3.532 -5.568 -3.437 1.00 0.00 C ATOM 1642 C ILE A 106 2.405 -5.394 -4.455 1.00 0.00 C ATOM 1643 O ILE A 106 2.677 -5.048 -5.612 1.00 0.00 O ATOM 1644 CB ILE A 106 3.830 -4.360 -2.523 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.684 -3.983 -1.582 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.344 -3.132 -3.272 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.654 -2.991 -2.109 1.00 0.00 C ATOM 0 H ILE A 106 5.231 -5.144 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 106 3.163 -6.352 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 106 4.644 -4.720 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.161 -4.897 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.116 -3.571 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.531 -2.325 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.270 -3.382 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.598 -2.811 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.898 -2.811 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.148 -2.052 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.178 -3.400 -3.000 1.00 0.00 H new ATOM 1659 N GLN A 107 1.142 -5.614 -4.037 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.047 -5.180 -4.775 1.00 0.00 C ATOM 1661 C GLN A 107 -1.312 -5.288 -3.912 1.00 0.00 C ATOM 1662 O GLN A 107 -1.589 -6.347 -3.350 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.225 -6.029 -6.042 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.043 -5.271 -7.092 1.00 0.00 C ATOM 1665 CD GLN A 107 -1.026 -5.986 -8.438 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -0.235 -6.903 -8.659 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -1.900 -5.592 -9.337 1.00 0.00 N ATOM 0 H GLN A 107 0.924 -6.103 -3.169 1.00 0.00 H new ATOM 0 HA GLN A 107 0.099 -4.135 -5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.751 -6.288 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.724 -6.965 -5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.072 -5.167 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.643 -4.264 -7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.542 -4.829 -9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.936 -6.049 -10.248 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.130 -4.236 -3.889 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.396 -4.158 -3.156 1.00 0.00 C ATOM 1678 C ILE A 108 -4.500 -3.946 -4.198 1.00 0.00 C ATOM 1679 O ILE A 108 -4.248 -3.413 -5.281 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.334 -3.029 -2.093 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.263 -3.312 -1.013 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.692 -2.851 -1.389 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -1.860 -2.062 -0.222 1.00 0.00 C ATOM 0 H ILE A 108 -1.921 -3.379 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.603 -5.072 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.071 -2.119 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.643 -4.065 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.378 -3.734 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.617 -2.053 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.453 -2.593 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.969 -3.781 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.106 -2.328 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.451 -1.316 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.735 -1.652 0.282 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.718 -4.390 -3.897 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.860 -4.406 -4.808 1.00 0.00 C ATOM 1697 C LYS A 109 -8.134 -4.400 -3.951 1.00 0.00 C ATOM 1698 O LYS A 109 -8.107 -4.974 -2.862 1.00 0.00 O ATOM 1699 CB LYS A 109 -6.746 -5.644 -5.717 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.500 -6.982 -4.978 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.788 -8.014 -5.860 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.304 -7.714 -6.187 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.357 -8.196 -5.151 1.00 0.00 N ATOM 0 H LYS A 109 -5.945 -4.763 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.889 -3.534 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.662 -5.732 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.932 -5.483 -6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.902 -6.797 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.454 -7.390 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.842 -8.984 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.336 -8.102 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.051 -8.176 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.178 -6.638 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.384 -8.133 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.448 -7.609 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.575 -9.185 -4.915 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.212 -3.731 -4.369 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.462 -3.673 -3.603 1.00 0.00 C ATOM 1719 C ALA A 110 -11.703 -3.464 -4.492 1.00 0.00 C ATOM 1720 O ALA A 110 -11.609 -2.783 -5.515 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.349 -2.523 -2.596 1.00 0.00 C ATOM 0 H ALA A 110 -9.244 -3.214 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.598 -4.632 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.268 -2.459 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.507 -2.706 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.192 -1.586 -3.130 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.875 -3.972 -4.080 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.166 -3.729 -4.744 1.00 0.00 C ATOM 1729 C LEU A 111 -14.573 -2.275 -4.526 1.00 0.00 C ATOM 1730 O LEU A 111 -14.755 -1.899 -3.370 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.267 -4.644 -4.162 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.620 -4.490 -4.898 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -16.663 -5.328 -6.178 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.796 -4.888 -4.002 1.00 0.00 C ATOM 0 H LEU A 111 -12.954 -4.574 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.054 -3.944 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.941 -5.682 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.404 -4.414 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.711 -3.436 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -17.628 -5.195 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.867 -5.007 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.525 -6.380 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.729 -4.767 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.686 -5.929 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.811 -4.252 -3.117 1.00 0.00 H new ATOM 1746 N SER A 112 -14.770 -1.475 -5.577 1.00 0.00 N ATOM 1747 CA SER A 112 -15.158 -0.080 -5.421 1.00 0.00 C ATOM 1748 C SER A 112 -16.569 0.065 -4.852 1.00 0.00 C ATOM 1749 O SER A 112 -16.804 0.889 -3.962 1.00 0.00 O ATOM 1750 CB SER A 112 -15.008 0.688 -6.739 1.00 0.00 C ATOM 1751 OG SER A 112 -15.609 0.035 -7.842 1.00 0.00 O ATOM 0 H SER A 112 -14.666 -1.775 -6.546 1.00 0.00 H new ATOM 0 HA SER A 112 -14.476 0.362 -4.695 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.451 1.678 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.948 0.835 -6.947 1.00 0.00 H new ATOM 0 HG SER A 112 -15.481 0.574 -8.651 1.00 0.00 H new ATOM 1757 N SER A 113 -17.516 -0.716 -5.373 1.00 0.00 N ATOM 1758 CA SER A 113 -18.926 -0.551 -5.037 1.00 0.00 C ATOM 1759 C SER A 113 -19.669 -1.889 -5.035 1.00 0.00 C ATOM 1760 O SER A 113 -20.174 -2.309 -3.993 1.00 0.00 O ATOM 1761 CB SER A 113 -19.593 0.479 -5.980 1.00 0.00 C ATOM 1762 OG SER A 113 -18.758 0.863 -7.067 1.00 0.00 O ATOM 0 H SER A 113 -17.328 -1.472 -6.032 1.00 0.00 H new ATOM 0 HA SER A 113 -18.987 -0.161 -4.021 1.00 0.00 H new ATOM 0 HB2 SER A 113 -20.519 0.058 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.864 1.366 -5.407 1.00 0.00 H new ATOM 0 HG SER A 113 -19.230 1.512 -7.629 1.00 0.00 H new ATOM 1768 N GLY A 114 -19.753 -2.540 -6.194 1.00 0.00 N ATOM 1769 CA GLY A 114 -20.790 -3.491 -6.536 1.00 0.00 C ATOM 1770 C GLY A 114 -20.294 -4.583 -7.461 1.00 0.00 C ATOM 1771 O GLY A 114 -20.342 -5.755 -7.098 1.00 0.00 O ATOM 0 H GLY A 114 -19.072 -2.410 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.180 -3.942 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.618 -2.965 -7.011 1.00 0.00 H new ATOM 1775 N THR A 115 -19.840 -4.217 -8.659 1.00 0.00 N ATOM 1776 CA THR A 115 -19.404 -5.179 -9.675 1.00 0.00 C ATOM 1777 C THR A 115 -17.980 -4.914 -10.157 1.00 0.00 C ATOM 1778 O THR A 115 -17.438 -5.683 -10.950 1.00 0.00 O ATOM 1779 CB THR A 115 -20.394 -5.172 -10.852 1.00 0.00 C ATOM 1780 OG1 THR A 115 -20.642 -3.859 -11.326 1.00 0.00 O ATOM 1781 CG2 THR A 115 -21.727 -5.813 -10.469 1.00 0.00 C ATOM 0 H THR A 115 -19.763 -3.244 -8.955 1.00 0.00 H new ATOM 0 HA THR A 115 -19.394 -6.167 -9.216 1.00 0.00 H new ATOM 0 HB THR A 115 -19.925 -5.755 -11.644 1.00 0.00 H new ATOM 0 HG1 THR A 115 -21.274 -3.895 -12.074 1.00 0.00 H new ATOM 0 HG21 THR A 115 -22.401 -5.790 -11.325 1.00 0.00 H new ATOM 0 HG22 THR A 115 -21.560 -6.847 -10.166 1.00 0.00 H new ATOM 0 HG23 THR A 115 -22.172 -5.260 -9.642 1.00 0.00 H new ATOM 1789 N THR A 116 -17.360 -3.840 -9.681 1.00 0.00 N ATOM 1790 CA THR A 116 -16.111 -3.323 -10.213 1.00 0.00 C ATOM 1791 C THR A 116 -15.055 -3.426 -9.115 1.00 0.00 C ATOM 1792 O THR A 116 -15.243 -2.925 -8.004 1.00 0.00 O ATOM 1793 CB THR A 116 -16.361 -1.887 -10.684 1.00 0.00 C ATOM 1794 OG1 THR A 116 -17.526 -1.803 -11.491 1.00 0.00 O ATOM 1795 CG2 THR A 116 -15.219 -1.197 -11.393 1.00 0.00 C ATOM 0 H THR A 116 -17.722 -3.295 -8.898 1.00 0.00 H new ATOM 0 HA THR A 116 -15.746 -3.889 -11.070 1.00 0.00 H new ATOM 0 HB THR A 116 -16.487 -1.346 -9.746 1.00 0.00 H new ATOM 0 HG1 THR A 116 -17.661 -0.875 -11.775 1.00 0.00 H new ATOM 0 HG21 THR A 116 -15.522 -0.189 -11.675 1.00 0.00 H new ATOM 0 HG22 THR A 116 -14.357 -1.144 -10.728 1.00 0.00 H new ATOM 0 HG23 THR A 116 -14.953 -1.760 -12.288 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.957 -4.101 -9.429 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.813 -4.322 -8.558 1.00 0.00 C ATOM 1805 C PHE A 117 -11.660 -3.500 -9.106 1.00 0.00 C ATOM 1806 O PHE A 117 -11.286 -3.676 -10.266 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.466 -5.817 -8.497 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.176 -6.318 -7.101 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -10.877 -6.265 -6.559 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -13.231 -6.863 -6.348 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -10.642 -6.758 -5.262 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -12.991 -7.354 -5.053 1.00 0.00 C ATOM 1813 CZ PHE A 117 -11.698 -7.295 -4.507 1.00 0.00 C ATOM 0 H PHE A 117 -13.835 -4.531 -10.346 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.034 -4.011 -7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.294 -6.390 -8.914 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.598 -6.005 -9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.065 -5.848 -7.136 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.226 -6.904 -6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.646 -6.723 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -13.801 -7.777 -4.477 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.516 -7.662 -3.508 1.00 0.00 H new ATOM 1823 N VAL A 118 -11.145 -2.581 -8.298 1.00 0.00 N ATOM 1824 CA VAL A 118 -10.020 -1.734 -8.645 1.00 0.00 C ATOM 1825 C VAL A 118 -8.760 -2.484 -8.214 1.00 0.00 C ATOM 1826 O VAL A 118 -8.715 -3.057 -7.120 1.00 0.00 O ATOM 1827 CB VAL A 118 -10.154 -0.345 -7.973 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.246 0.688 -8.656 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -11.591 0.199 -7.983 1.00 0.00 C ATOM 0 H VAL A 118 -11.510 -2.403 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.978 -1.535 -9.716 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.853 -0.497 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.360 1.654 -8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.208 0.364 -8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.525 0.780 -9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.614 1.174 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.935 0.298 -9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.244 -0.489 -7.447 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.723 -2.468 -9.047 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.428 -3.059 -8.735 1.00 0.00 C ATOM 1841 C TYR A 119 -5.401 -1.934 -8.754 1.00 0.00 C ATOM 1842 O TYR A 119 -5.299 -1.204 -9.748 1.00 0.00 O ATOM 1843 CB TYR A 119 -6.089 -4.186 -9.724 1.00 0.00 C ATOM 1844 CG TYR A 119 -7.101 -5.320 -9.766 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -8.323 -5.128 -10.430 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -6.836 -6.568 -9.169 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -9.285 -6.145 -10.480 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -7.807 -7.593 -9.196 1.00 0.00 C ATOM 1849 CZ TYR A 119 -9.046 -7.381 -9.844 1.00 0.00 C ATOM 1850 OH TYR A 119 -9.971 -8.378 -9.915 1.00 0.00 O ATOM 0 H TYR A 119 -7.761 -2.037 -9.971 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.435 -3.525 -7.749 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.000 -3.760 -10.723 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.113 -4.597 -9.465 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.524 -4.182 -10.910 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.885 -6.742 -8.688 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -10.213 -5.982 -11.008 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.603 -8.541 -8.721 1.00 0.00 H new ATOM 0 HH TYR A 119 -9.646 -9.161 -9.423 1.00 0.00 H new ATOM 1860 N SER A 120 -4.658 -1.756 -7.657 1.00 0.00 N ATOM 1861 CA SER A 120 -3.476 -0.918 -7.725 1.00 0.00 C ATOM 1862 C SER A 120 -2.455 -1.661 -8.591 1.00 0.00 C ATOM 1863 O SER A 120 -2.453 -2.892 -8.662 1.00 0.00 O ATOM 1864 CB SER A 120 -2.876 -0.658 -6.343 1.00 0.00 C ATOM 1865 OG SER A 120 -1.742 0.187 -6.414 1.00 0.00 O ATOM 0 H SER A 120 -4.851 -2.169 -6.744 1.00 0.00 H new ATOM 0 HA SER A 120 -3.742 0.053 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.629 -0.203 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.595 -1.606 -5.884 1.00 0.00 H new ATOM 0 HG SER A 120 -0.970 -0.327 -6.730 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.507 -0.896 -9.114 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.375 -1.351 -9.912 1.00 0.00 C ATOM 1873 C GLN A 121 0.527 -2.268 -9.087 1.00 0.00 C ATOM 1874 O GLN A 121 0.555 -2.130 -7.863 1.00 0.00 O ATOM 1875 CB GLN A 121 0.388 -0.119 -10.418 1.00 0.00 C ATOM 1876 CG GLN A 121 0.994 0.796 -9.332 1.00 0.00 C ATOM 1877 CD GLN A 121 1.587 2.083 -9.914 1.00 0.00 C ATOM 1878 OE1 GLN A 121 1.568 2.299 -11.124 1.00 0.00 O ATOM 1879 NE2 GLN A 121 2.076 2.983 -9.075 1.00 0.00 N ATOM 0 H GLN A 121 -1.506 0.116 -8.986 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.725 -1.931 -10.766 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.193 -0.458 -11.070 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.289 0.477 -11.030 1.00 0.00 H new ATOM 0 HG2 GLN A 121 0.223 1.051 -8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 121 1.771 0.252 -8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.087 2.793 -8.073 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.442 3.866 -9.431 1.00 0.00 H new ATOM 1888 N LYS A 122 1.294 -3.159 -9.723 1.00 0.00 N ATOM 1889 CA LYS A 122 2.298 -3.993 -9.051 1.00 0.00 C ATOM 1890 C LYS A 122 3.584 -3.181 -8.879 1.00 0.00 C ATOM 1891 O LYS A 122 3.882 -2.336 -9.727 1.00 0.00 O ATOM 1892 CB LYS A 122 2.524 -5.266 -9.886 1.00 0.00 C ATOM 1893 CG LYS A 122 3.232 -6.392 -9.113 1.00 0.00 C ATOM 1894 CD LYS A 122 3.077 -7.730 -9.853 1.00 0.00 C ATOM 1895 CE LYS A 122 3.813 -8.860 -9.128 1.00 0.00 C ATOM 1896 NZ LYS A 122 3.197 -10.185 -9.368 1.00 0.00 N ATOM 0 H LYS A 122 1.236 -3.324 -10.728 1.00 0.00 H new ATOM 0 HA LYS A 122 1.960 -4.296 -8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.561 -5.632 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.116 -5.013 -10.766 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.289 -6.153 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.812 -6.473 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.019 -7.979 -9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.465 -7.633 -10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.852 -8.881 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.821 -8.655 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.732 -10.915 -8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.213 -10.177 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.212 -10.396 -10.386 1.00 0.00 H new ATOM 1910 N ILE A 123 4.338 -3.434 -7.808 1.00 0.00 N ATOM 1911 CA ILE A 123 5.612 -2.787 -7.502 1.00 0.00 C ATOM 1912 C ILE A 123 6.505 -3.852 -6.925 1.00 0.00 C ATOM 1913 O ILE A 123 6.324 -4.287 -5.785 1.00 0.00 O ATOM 1914 CB ILE A 123 5.450 -1.599 -6.511 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.394 -0.539 -6.894 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.800 -0.930 -6.197 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.796 0.377 -8.047 1.00 0.00 C ATOM 0 H ILE A 123 4.067 -4.121 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 123 6.039 -2.355 -8.407 1.00 0.00 H new ATOM 0 HB ILE A 123 5.057 -2.071 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.468 -1.049 -7.159 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.181 0.074 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.644 -0.105 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.473 -1.661 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.241 -0.549 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.993 1.087 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.703 0.919 -7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.979 -0.221 -8.940 1.00 0.00 H new ATOM 1929 N ASP A 124 7.452 -4.285 -7.741 1.00 0.00 N ATOM 1930 CA ASP A 124 8.457 -5.255 -7.359 1.00 0.00 C ATOM 1931 C ASP A 124 9.368 -4.712 -6.278 1.00 0.00 C ATOM 1932 O ASP A 124 9.453 -3.499 -6.079 1.00 0.00 O ATOM 1933 CB ASP A 124 9.243 -5.637 -8.593 1.00 0.00 C ATOM 1934 CG ASP A 124 9.498 -7.139 -8.660 1.00 0.00 C ATOM 1935 OD1 ASP A 124 8.469 -7.838 -8.780 1.00 0.00 O ATOM 1936 OD2 ASP A 124 10.651 -7.614 -8.761 1.00 0.00 O ATOM 0 H ASP A 124 7.543 -3.964 -8.705 1.00 0.00 H new ATOM 0 HA ASP A 124 7.971 -6.137 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.699 -5.321 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.195 -5.106 -8.596 1.00 0.00 H new ATOM 1941 N PHE A 125 10.007 -5.610 -5.553 1.00 0.00 N ATOM 1942 CA PHE A 125 11.084 -5.252 -4.603 1.00 0.00 C ATOM 1943 C PHE A 125 12.225 -6.278 -4.487 1.00 0.00 C ATOM 1944 O PHE A 125 12.120 -7.393 -5.005 1.00 0.00 O ATOM 1945 CB PHE A 125 10.469 -4.949 -3.228 1.00 0.00 C ATOM 1946 CG PHE A 125 9.736 -6.098 -2.563 1.00 0.00 C ATOM 1947 CD1 PHE A 125 10.441 -7.057 -1.821 1.00 0.00 C ATOM 1948 CD2 PHE A 125 8.336 -6.163 -2.621 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.752 -8.044 -1.101 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.639 -7.112 -1.849 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.346 -8.066 -1.099 1.00 0.00 C ATOM 0 H PHE A 125 9.807 -6.609 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 125 11.566 -4.364 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.264 -4.616 -2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.775 -4.116 -3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.521 -7.035 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.791 -5.483 -3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.303 -8.789 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.559 -7.106 -1.834 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.814 -8.811 -0.525 1.00 0.00 H new ATOM 1961 N GLU A 126 13.307 -5.919 -3.777 1.00 0.00 N ATOM 1962 CA GLU A 126 14.448 -6.781 -3.472 1.00 0.00 C ATOM 1963 C GLU A 126 14.453 -7.083 -1.965 1.00 0.00 C ATOM 1964 O GLU A 126 13.795 -6.361 -1.207 1.00 0.00 O ATOM 1965 CB GLU A 126 15.681 -6.064 -4.033 1.00 0.00 C ATOM 1966 CG GLU A 126 15.925 -6.359 -5.510 1.00 0.00 C ATOM 1967 CD GLU A 126 16.484 -5.152 -6.281 1.00 0.00 C ATOM 1968 OE1 GLU A 126 15.686 -4.258 -6.662 1.00 0.00 O ATOM 1969 OE2 GLU A 126 17.696 -5.131 -6.579 1.00 0.00 O ATOM 0 H GLU A 126 13.410 -4.982 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 126 14.417 -7.767 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.561 -4.989 -3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.559 -6.361 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 126 16.621 -7.193 -5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 126 14.989 -6.675 -5.971 1.00 0.00 H new ATOM 1976 N ARG A 127 15.119 -8.155 -1.512 1.00 0.00 N ATOM 1977 CA ARG A 127 15.010 -8.699 -0.151 1.00 0.00 C ATOM 1978 C ARG A 127 16.317 -8.556 0.628 1.00 0.00 C ATOM 1979 O ARG A 127 17.108 -9.506 0.669 1.00 0.00 O ATOM 1980 CB ARG A 127 14.516 -10.160 -0.198 1.00 0.00 C ATOM 1981 CG ARG A 127 12.994 -10.258 -0.181 1.00 0.00 C ATOM 1982 CD ARG A 127 12.470 -10.005 1.232 1.00 0.00 C ATOM 1983 NE ARG A 127 12.197 -11.261 1.949 1.00 0.00 N ATOM 1984 CZ ARG A 127 12.046 -11.405 3.270 1.00 0.00 C ATOM 1985 NH1 ARG A 127 12.316 -10.412 4.109 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.584 -12.538 3.781 1.00 0.00 N ATOM 0 H ARG A 127 15.766 -8.682 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 127 14.269 -8.112 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.899 -10.642 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.922 -10.706 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.567 -9.531 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.681 -11.245 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 127 13.200 -9.419 1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.558 -9.411 1.180 1.00 0.00 H new ATOM 0 HE ARG A 127 12.115 -12.105 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 127 12.646 -9.516 3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 127 12.193 -10.545 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.339 -13.313 3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.474 -12.635 4.790 1.00 0.00 H new ATOM 2000 N GLU A 128 16.446 -7.409 1.294 1.00 0.00 N ATOM 2001 CA GLU A 128 17.569 -6.917 2.103 1.00 0.00 C ATOM 2002 C GLU A 128 18.942 -7.134 1.455 1.00 0.00 C ATOM 2003 O GLU A 128 19.960 -6.976 2.141 1.00 0.00 O ATOM 2004 CB GLU A 128 17.474 -7.369 3.584 1.00 0.00 C ATOM 2005 CG GLU A 128 17.425 -8.885 3.750 1.00 0.00 C ATOM 2006 CD GLU A 128 17.630 -9.376 5.185 1.00 0.00 C ATOM 2007 OE1 GLU A 128 17.035 -8.801 6.130 1.00 0.00 O ATOM 2008 OE2 GLU A 128 18.331 -10.387 5.411 1.00 0.00 O ATOM 0 H GLU A 128 15.688 -6.727 1.281 1.00 0.00 H new ATOM 0 HA GLU A 128 17.471 -5.832 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 128 18.331 -6.978 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 128 16.582 -6.932 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 128 16.461 -9.246 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 128 18.190 -9.332 3.114 1.00 0.00 H new