USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1047 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 107 MET CE :methyl 175:sc= -0.444 (180deg=-0.479) USER MOD Set 1.2: A 139 CYS SG : rot 156:sc= 1.01 USER MOD Set 2.1: A 100 TYR OH : rot -96:sc= -0.439! USER MOD Set 2.2: A 135 LYS NZ :NH3+ 149:sc= 0.964 (180deg=-0.143) USER MOD Set 3.1: A 75 THR OG1 : rot -84:sc= 0.709 USER MOD Set 3.2: A 77 CYS SG : rot 116:sc= 0.957 USER MOD Set 4.1: A 58 ASN : amide:sc= -4.75! C(o=-4.8!,f=-8.9!) USER MOD Set 4.2: A 61 ASN : amide:sc= -0.0533 K(o=-4.8,f=-13!) USER MOD Set 5.1: A 49 LYS NZ :NH3+ -121:sc= 0.844 (180deg=0) USER MOD Set 5.2: A 53 GLN : amide:sc= 0.129 K(o=0.97,f=-2.4) USER MOD Set 6.1: A 36 ASN :FLIP amide:sc= -0.7 F(o=-1.2,f=-0.65) USER MOD Set 6.2: A 51 TYR OH : rot 8:sc= 0.0467 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 0.613 (180deg=0.481) USER MOD Single : A 33 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 34 GLN : amide:sc= -1.91! C(o=-1.9!,f=-5.1!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 166:sc= 0.969 USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-0.7!,f=0) USER MOD Single : A 52 SER OG : rot -29:sc= 1.2 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 40:sc= 1.29 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.82! C(o=-4.8!,f=-11!) USER MOD Single : A 69 SER OG : rot 82:sc= 1.27 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.098 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1) USER MOD Single : A 86 THR OG1 : rot 80:sc= 2.18 USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0421) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -2.58 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 16:sc= 1.29 USER MOD Single : A 105 SER OG : rot 70:sc= 0.255 USER MOD Single : A 106 ASN : amide:sc= 0.21 K(o=0.21,f=-1.9) USER MOD Single : A 111 LYS NZ :NH3+ 165:sc= -0.0218 (180deg=-0.234) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 76:sc= 1.07 USER MOD Single : A 124 LYS NZ :NH3+ -146:sc= 1.24 (180deg=0.864) USER MOD Single : A 126 LYS NZ :NH3+ -130:sc= 0.159 (180deg=-1.52!) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -157:sc= -0.181 (180deg=-0.813) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= -1.57! C(o=-1.6!,f=-3.4!) USER MOD Single : A 141 LYS NZ :NH3+ 162:sc= 0.00232 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -5.03! C(o=-5!,f=-6.4!) USER MOD Single : A 146 LYS NZ :NH3+ -131:sc= 0.141 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -16.877 -14.502 5.565 1.00 0.78 N ATOM 28 CA PRO A 19 -16.760 -13.278 4.800 1.00 0.70 C ATOM 29 C PRO A 19 -18.140 -12.711 4.537 1.00 0.65 C ATOM 30 O PRO A 19 -19.064 -13.468 4.215 1.00 0.70 O ATOM 31 CB PRO A 19 -16.121 -13.701 3.472 1.00 0.71 C ATOM 32 CG PRO A 19 -15.963 -15.190 3.539 1.00 0.75 C ATOM 33 CD PRO A 19 -16.071 -15.582 4.988 1.00 0.84 C ATOM 0 HA PRO A 19 -16.176 -12.519 5.320 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -16.749 -13.414 2.629 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.156 -13.213 3.331 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -16.733 -15.686 2.947 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.000 -15.494 3.129 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -16.552 -16.553 5.108 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.091 -15.651 5.461 1.00 0.84 H new ATOM 41 N PRO A 20 -18.322 -11.399 4.712 1.00 0.58 N ATOM 42 CA PRO A 20 -19.582 -10.751 4.393 1.00 0.54 C ATOM 43 C PRO A 20 -20.033 -11.136 3.001 1.00 0.55 C ATOM 44 O PRO A 20 -19.224 -11.525 2.156 1.00 0.58 O ATOM 45 CB PRO A 20 -19.258 -9.267 4.473 1.00 0.49 C ATOM 46 CG PRO A 20 -18.119 -9.193 5.431 1.00 0.50 C ATOM 47 CD PRO A 20 -17.323 -10.455 5.227 1.00 0.56 C ATOM 0 HA PRO A 20 -20.392 -11.036 5.064 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -18.984 -8.866 3.497 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.113 -8.691 4.826 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.507 -8.311 5.242 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.477 -9.119 6.458 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -16.506 -10.307 4.520 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -16.879 -10.806 6.158 1.00 0.56 H new ATOM 55 N ALA A 21 -21.312 -11.042 2.763 1.00 0.56 N ATOM 56 CA ALA A 21 -21.876 -11.572 1.550 1.00 0.63 C ATOM 57 C ALA A 21 -21.426 -10.792 0.315 1.00 0.60 C ATOM 58 O ALA A 21 -20.736 -9.780 0.411 1.00 0.60 O ATOM 59 CB ALA A 21 -23.389 -11.601 1.663 1.00 0.72 C ATOM 0 H ALA A 21 -21.985 -10.604 3.392 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.508 -12.590 1.420 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -23.815 -12.003 0.744 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -23.679 -12.232 2.503 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -23.761 -10.589 1.824 1.00 0.72 H new ATOM 65 N ASP A 22 -21.876 -11.296 -0.822 1.00 0.64 N ATOM 66 CA ASP A 22 -21.671 -10.722 -2.156 1.00 0.70 C ATOM 67 C ASP A 22 -21.751 -9.199 -2.143 1.00 0.67 C ATOM 68 O ASP A 22 -20.732 -8.558 -1.927 1.00 1.01 O ATOM 69 CB ASP A 22 -22.678 -11.316 -3.150 1.00 1.01 C ATOM 70 CG ASP A 22 -22.415 -10.890 -4.581 1.00 1.54 C ATOM 71 OD1 ASP A 22 -21.561 -11.516 -5.243 1.00 1.66 O ATOM 72 OD2 ASP A 22 -23.069 -9.937 -5.051 1.00 2.34 O ATOM 0 H ASP A 22 -22.421 -12.158 -0.849 1.00 0.64 H new ATOM 0 HA ASP A 22 -20.663 -10.984 -2.477 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -22.644 -12.404 -3.088 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -23.685 -11.012 -2.865 1.00 1.01 H new ATOM 77 N GLY A 23 -22.889 -8.643 -2.561 1.00 0.72 N ATOM 78 CA GLY A 23 -23.113 -7.196 -2.545 1.00 0.69 C ATOM 79 C GLY A 23 -22.240 -6.417 -1.562 1.00 0.61 C ATOM 80 O GLY A 23 -21.632 -5.431 -1.948 1.00 0.60 O ATOM 0 H GLY A 23 -23.679 -9.180 -2.919 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -22.941 -6.806 -3.548 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.160 -7.008 -2.305 1.00 0.69 H new ATOM 84 N ALA A 24 -22.163 -6.863 -0.306 1.00 0.59 N ATOM 85 CA ALA A 24 -21.284 -6.229 0.686 1.00 0.55 C ATOM 86 C ALA A 24 -19.816 -6.276 0.248 1.00 0.48 C ATOM 87 O ALA A 24 -19.159 -5.239 0.127 1.00 0.44 O ATOM 88 CB ALA A 24 -21.444 -6.898 2.048 1.00 0.56 C ATOM 0 H ALA A 24 -22.695 -7.657 0.050 1.00 0.59 H new ATOM 0 HA ALA A 24 -21.580 -5.183 0.765 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -20.785 -6.415 2.770 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.478 -6.804 2.380 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.183 -7.953 1.968 1.00 0.56 H new ATOM 94 N LEU A 25 -19.320 -7.484 0.002 1.00 0.49 N ATOM 95 CA LEU A 25 -17.937 -7.708 -0.416 1.00 0.48 C ATOM 96 C LEU A 25 -17.589 -6.940 -1.682 1.00 0.51 C ATOM 97 O LEU A 25 -16.588 -6.222 -1.732 1.00 0.53 O ATOM 98 CB LEU A 25 -17.695 -9.204 -0.655 1.00 0.47 C ATOM 99 CG LEU A 25 -17.257 -10.007 0.567 1.00 0.48 C ATOM 100 CD1 LEU A 25 -15.946 -10.724 0.292 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.126 -9.105 1.777 1.00 0.49 C ATOM 0 H LEU A 25 -19.867 -8.341 0.087 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.297 -7.345 0.388 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -18.612 -9.644 -1.046 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -16.935 -9.311 -1.429 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.021 -10.756 0.778 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -15.649 -11.291 1.174 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -16.073 -11.404 -0.551 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.174 -9.992 0.055 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -16.813 -9.695 2.638 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.383 -8.333 1.577 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.088 -8.637 1.988 1.00 0.49 H new ATOM 113 N LYS A 26 -18.414 -7.091 -2.704 1.00 0.55 N ATOM 114 CA LYS A 26 -18.142 -6.469 -3.988 1.00 0.59 C ATOM 115 C LYS A 26 -18.305 -4.958 -3.893 1.00 0.52 C ATOM 116 O LYS A 26 -17.682 -4.218 -4.645 1.00 0.53 O ATOM 117 CB LYS A 26 -19.072 -7.020 -5.061 1.00 0.68 C ATOM 118 CG LYS A 26 -20.473 -6.468 -4.958 1.00 0.73 C ATOM 119 CD LYS A 26 -21.412 -7.150 -5.920 1.00 0.82 C ATOM 120 CE LYS A 26 -22.770 -6.476 -5.922 1.00 0.93 C ATOM 121 NZ LYS A 26 -23.722 -7.156 -6.833 1.00 1.53 N ATOM 0 H LYS A 26 -19.275 -7.637 -2.670 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.113 -6.699 -4.263 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -18.665 -6.785 -6.044 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -19.107 -8.107 -4.982 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -20.840 -6.594 -3.940 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -20.458 -5.397 -5.161 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -20.989 -7.127 -6.924 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -21.523 -8.199 -5.644 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -23.175 -6.472 -4.910 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -22.658 -5.435 -6.225 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -24.639 -6.665 -6.806 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -23.348 -7.138 -7.803 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -23.848 -8.143 -6.529 1.00 1.53 H new ATOM 135 N ARG A 27 -19.150 -4.502 -2.974 1.00 0.49 N ATOM 136 CA ARG A 27 -19.340 -3.075 -2.764 1.00 0.45 C ATOM 137 C ARG A 27 -18.100 -2.487 -2.139 1.00 0.39 C ATOM 138 O ARG A 27 -17.728 -1.354 -2.426 1.00 0.37 O ATOM 139 CB ARG A 27 -20.544 -2.793 -1.871 1.00 0.49 C ATOM 140 CG ARG A 27 -20.762 -1.315 -1.598 1.00 0.45 C ATOM 141 CD ARG A 27 -20.847 -0.536 -2.893 1.00 0.51 C ATOM 142 NE ARG A 27 -21.226 0.856 -2.685 1.00 1.11 N ATOM 143 CZ ARG A 27 -21.526 1.700 -3.672 1.00 1.29 C ATOM 144 NH1 ARG A 27 -21.559 1.274 -4.931 1.00 1.01 N ATOM 145 NH2 ARG A 27 -21.817 2.963 -3.389 1.00 2.11 N ATOM 0 H ARG A 27 -19.711 -5.099 -2.366 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.525 -2.614 -3.734 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.438 -3.204 -2.340 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.413 -3.314 -0.923 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -21.679 -1.178 -1.025 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -19.945 -0.929 -0.989 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -19.883 -0.574 -3.400 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -21.573 -1.012 -3.552 1.00 0.51 H new ATOM 0 HE ARG A 27 -21.264 1.205 -1.727 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.354 0.298 -5.145 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -21.789 1.923 -5.683 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -21.810 3.283 -2.421 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -22.047 3.614 -4.140 1.00 2.11 H new ATOM 159 N ALA A 28 -17.462 -3.263 -1.285 1.00 0.39 N ATOM 160 CA ALA A 28 -16.213 -2.847 -0.699 1.00 0.37 C ATOM 161 C ALA A 28 -15.174 -2.690 -1.803 1.00 0.37 C ATOM 162 O ALA A 28 -14.342 -1.782 -1.782 1.00 0.36 O ATOM 163 CB ALA A 28 -15.762 -3.849 0.359 1.00 0.42 C ATOM 0 H ALA A 28 -17.790 -4.181 -0.985 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.339 -1.886 -0.200 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -14.817 -3.520 0.792 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.517 -3.915 1.143 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -15.629 -4.828 -0.101 1.00 0.42 H new ATOM 169 N GLU A 29 -15.268 -3.567 -2.794 1.00 0.43 N ATOM 170 CA GLU A 29 -14.418 -3.499 -3.969 1.00 0.47 C ATOM 171 C GLU A 29 -14.825 -2.305 -4.836 1.00 0.45 C ATOM 172 O GLU A 29 -13.988 -1.678 -5.490 1.00 0.48 O ATOM 173 CB GLU A 29 -14.536 -4.799 -4.769 1.00 0.55 C ATOM 174 CG GLU A 29 -13.283 -5.156 -5.558 1.00 0.84 C ATOM 175 CD GLU A 29 -12.062 -5.355 -4.681 1.00 1.52 C ATOM 176 OE1 GLU A 29 -12.178 -6.037 -3.638 1.00 2.41 O ATOM 177 OE2 GLU A 29 -10.976 -4.846 -5.037 1.00 1.83 O ATOM 0 H GLU A 29 -15.933 -4.341 -2.804 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.382 -3.370 -3.657 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -14.767 -5.615 -4.085 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -15.376 -4.714 -5.459 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -13.467 -6.068 -6.126 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.079 -4.366 -6.280 1.00 0.84 H new ATOM 184 N GLU A 30 -16.117 -1.985 -4.821 1.00 0.43 N ATOM 185 CA GLU A 30 -16.638 -0.858 -5.583 1.00 0.44 C ATOM 186 C GLU A 30 -16.187 0.445 -4.980 1.00 0.41 C ATOM 187 O GLU A 30 -15.795 1.349 -5.694 1.00 0.48 O ATOM 188 CB GLU A 30 -18.159 -0.854 -5.625 1.00 0.47 C ATOM 189 CG GLU A 30 -18.760 -1.866 -6.558 1.00 0.64 C ATOM 190 CD GLU A 30 -18.086 -1.914 -7.909 1.00 1.23 C ATOM 191 OE1 GLU A 30 -17.055 -2.603 -8.033 1.00 1.72 O ATOM 192 OE2 GLU A 30 -18.571 -1.247 -8.847 1.00 1.52 O ATOM 0 H GLU A 30 -16.822 -2.493 -4.287 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.251 -0.965 -6.596 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.538 -1.036 -4.619 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.499 0.139 -5.919 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -18.703 -2.852 -6.097 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -19.817 -1.639 -6.696 1.00 0.64 H new ATOM 199 N LEU A 31 -16.265 0.536 -3.666 1.00 0.36 N ATOM 200 CA LEU A 31 -15.846 1.732 -2.963 1.00 0.36 C ATOM 201 C LEU A 31 -14.366 1.972 -3.178 1.00 0.37 C ATOM 202 O LEU A 31 -13.922 3.109 -3.233 1.00 0.41 O ATOM 203 CB LEU A 31 -16.167 1.606 -1.481 1.00 0.35 C ATOM 204 CG LEU A 31 -17.654 1.499 -1.168 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.865 1.174 0.296 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.370 2.783 -1.522 1.00 0.42 C ATOM 0 H LEU A 31 -16.616 -0.208 -3.063 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.391 2.589 -3.359 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.660 0.726 -1.085 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.759 2.471 -0.958 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.070 0.692 -1.771 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.933 1.101 0.502 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.384 0.224 0.531 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.430 1.962 0.910 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.430 2.684 -1.290 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.948 3.606 -0.945 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.249 2.986 -2.586 1.00 0.42 H new ATOM 218 N LYS A 32 -13.615 0.887 -3.314 1.00 0.37 N ATOM 219 CA LYS A 32 -12.215 0.975 -3.691 1.00 0.41 C ATOM 220 C LYS A 32 -12.101 1.589 -5.084 1.00 0.43 C ATOM 221 O LYS A 32 -11.232 2.413 -5.349 1.00 0.47 O ATOM 222 CB LYS A 32 -11.575 -0.414 -3.688 1.00 0.44 C ATOM 223 CG LYS A 32 -10.063 -0.380 -3.801 1.00 0.76 C ATOM 224 CD LYS A 32 -9.485 -1.754 -4.086 1.00 0.70 C ATOM 225 CE LYS A 32 -9.394 -2.013 -5.576 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.658 -3.266 -5.868 1.00 1.15 N ATOM 0 H LYS A 32 -13.954 -0.064 -3.168 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.693 1.603 -2.969 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -11.852 -0.932 -2.770 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -11.981 -0.995 -4.516 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.774 0.307 -4.596 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.638 0.007 -2.875 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.494 -1.834 -3.639 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.108 -2.517 -3.619 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.397 -2.073 -5.997 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -8.894 -1.175 -6.062 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.393 -3.287 -6.873 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -7.800 -3.309 -5.283 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -9.265 -4.083 -5.653 1.00 1.15 H new ATOM 240 N THR A 33 -13.022 1.197 -5.952 1.00 0.43 N ATOM 241 CA THR A 33 -13.043 1.653 -7.331 1.00 0.47 C ATOM 242 C THR A 33 -13.482 3.117 -7.404 1.00 0.47 C ATOM 243 O THR A 33 -12.870 3.929 -8.100 1.00 0.52 O ATOM 244 CB THR A 33 -13.984 0.763 -8.168 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.618 -0.615 -7.989 1.00 0.50 O ATOM 246 CG2 THR A 33 -13.916 1.112 -9.643 1.00 0.57 C ATOM 0 H THR A 33 -13.777 0.552 -5.718 1.00 0.43 H new ATOM 0 HA THR A 33 -12.036 1.578 -7.741 1.00 0.47 H new ATOM 0 HB THR A 33 -15.005 0.933 -7.826 1.00 0.49 H new ATOM 0 HG1 THR A 33 -13.880 -0.909 -7.092 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.592 0.465 -10.202 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.210 2.152 -9.785 1.00 0.57 H new ATOM 0 HG23 THR A 33 -12.897 0.970 -10.004 1.00 0.57 H new ATOM 254 N GLN A 34 -14.551 3.448 -6.685 1.00 0.44 N ATOM 255 CA GLN A 34 -14.966 4.840 -6.522 1.00 0.46 C ATOM 256 C GLN A 34 -13.855 5.670 -5.893 1.00 0.46 C ATOM 257 O GLN A 34 -13.659 6.827 -6.242 1.00 0.51 O ATOM 258 CB GLN A 34 -16.214 4.925 -5.655 1.00 0.48 C ATOM 259 CG GLN A 34 -17.332 4.052 -6.164 1.00 0.50 C ATOM 260 CD GLN A 34 -18.645 4.283 -5.450 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.942 3.638 -4.451 1.00 1.50 O ATOM 262 NE2 GLN A 34 -19.440 5.208 -5.959 1.00 1.31 N ATOM 0 H GLN A 34 -15.146 2.772 -6.206 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.186 5.239 -7.512 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.964 4.632 -4.635 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.555 5.960 -5.615 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.469 4.234 -7.230 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.046 3.006 -6.054 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.155 5.723 -6.792 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.338 5.407 -5.519 1.00 1.31 H new ATOM 271 N ALA A 35 -13.129 5.078 -4.966 1.00 0.43 N ATOM 272 CA ALA A 35 -12.019 5.761 -4.332 1.00 0.44 C ATOM 273 C ALA A 35 -10.875 5.963 -5.318 1.00 0.48 C ATOM 274 O ALA A 35 -10.097 6.900 -5.180 1.00 0.50 O ATOM 275 CB ALA A 35 -11.558 4.993 -3.117 1.00 0.42 C ATOM 0 H ALA A 35 -13.287 4.126 -4.635 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.356 6.745 -4.007 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.724 5.517 -2.650 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.379 4.911 -2.405 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.237 3.995 -3.417 1.00 0.42 H new ATOM 281 N ASN A 36 -10.779 5.087 -6.316 1.00 0.53 N ATOM 282 CA ASN A 36 -9.834 5.287 -7.413 1.00 0.61 C ATOM 283 C ASN A 36 -10.247 6.513 -8.213 1.00 0.63 C ATOM 284 O ASN A 36 -9.407 7.263 -8.712 1.00 0.67 O ATOM 285 CB ASN A 36 -9.774 4.069 -8.345 1.00 0.69 C ATOM 286 CG ASN A 36 -9.291 2.798 -7.665 1.00 1.28 C ATOM 287 OD1 ASN A 36 -8.520 2.935 -6.598 1.00 1.88 O flip ATOM 288 ND2 ASN A 36 -9.623 1.692 -8.096 1.00 2.01 N flip ATOM 0 H ASN A 36 -11.339 4.238 -6.388 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.843 5.427 -6.982 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -10.766 3.893 -8.761 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -9.113 4.296 -9.182 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -10.219 1.624 -8.921 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -9.302 0.845 -7.627 1.00 2.01 H new ATOM 295 N ASP A 37 -11.558 6.714 -8.302 1.00 0.63 N ATOM 296 CA ASP A 37 -12.134 7.877 -8.967 1.00 0.68 C ATOM 297 C ASP A 37 -11.743 9.142 -8.222 1.00 0.65 C ATOM 298 O ASP A 37 -11.400 10.155 -8.826 1.00 0.68 O ATOM 299 CB ASP A 37 -13.660 7.747 -9.022 1.00 0.73 C ATOM 300 CG ASP A 37 -14.333 8.997 -9.546 1.00 0.90 C ATOM 301 OD1 ASP A 37 -14.115 9.349 -10.721 1.00 1.05 O ATOM 302 OD2 ASP A 37 -15.090 9.632 -8.779 1.00 1.04 O ATOM 0 H ASP A 37 -12.251 6.074 -7.915 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.750 7.933 -9.986 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.926 6.902 -9.657 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -14.038 7.527 -8.024 1.00 0.73 H new ATOM 307 N TYR A 38 -11.784 9.067 -6.903 1.00 0.60 N ATOM 308 CA TYR A 38 -11.364 10.174 -6.061 1.00 0.58 C ATOM 309 C TYR A 38 -9.843 10.329 -6.087 1.00 0.57 C ATOM 310 O TYR A 38 -9.323 11.446 -6.066 1.00 0.57 O ATOM 311 CB TYR A 38 -11.874 9.967 -4.636 1.00 0.54 C ATOM 312 CG TYR A 38 -13.351 10.261 -4.486 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.312 9.273 -4.686 1.00 0.63 C ATOM 314 CD2 TYR A 38 -13.784 11.538 -4.154 1.00 0.59 C ATOM 315 CE1 TYR A 38 -15.659 9.554 -4.557 1.00 0.67 C ATOM 316 CE2 TYR A 38 -15.128 11.824 -4.020 1.00 0.63 C ATOM 317 CZ TYR A 38 -16.062 10.830 -4.224 1.00 0.65 C ATOM 318 OH TYR A 38 -17.401 11.114 -4.096 1.00 0.71 O ATOM 0 H TYR A 38 -12.106 8.246 -6.390 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.795 11.096 -6.451 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.682 8.938 -4.334 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.311 10.609 -3.958 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -14.000 8.272 -4.946 1.00 0.63 H new ATOM 0 HD2 TYR A 38 -13.057 12.321 -3.998 1.00 0.59 H new ATOM 0 HE1 TYR A 38 -16.393 8.778 -4.716 1.00 0.67 H new ATOM 0 HE2 TYR A 38 -15.447 12.822 -3.757 1.00 0.63 H new ATOM 0 HH TYR A 38 -17.514 12.058 -3.857 1.00 0.71 H new ATOM 328 N PHE A 39 -9.142 9.205 -6.170 1.00 0.57 N ATOM 329 CA PHE A 39 -7.693 9.193 -6.269 1.00 0.57 C ATOM 330 C PHE A 39 -7.241 10.017 -7.470 1.00 0.63 C ATOM 331 O PHE A 39 -6.425 10.928 -7.339 1.00 0.67 O ATOM 332 CB PHE A 39 -7.209 7.743 -6.393 1.00 0.58 C ATOM 333 CG PHE A 39 -5.734 7.600 -6.609 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.865 7.569 -5.535 1.00 0.55 C ATOM 335 CD2 PHE A 39 -5.219 7.494 -7.889 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.506 7.441 -5.734 1.00 0.59 C ATOM 337 CE2 PHE A 39 -3.862 7.365 -8.094 1.00 0.73 C ATOM 338 CZ PHE A 39 -3.002 7.338 -7.015 1.00 0.65 C ATOM 0 H PHE A 39 -9.565 8.277 -6.170 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.261 9.638 -5.372 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.486 7.202 -5.488 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.733 7.267 -7.222 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.254 7.646 -4.530 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -5.888 7.513 -8.737 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -2.836 7.421 -4.887 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -3.472 7.285 -9.098 1.00 0.73 H new ATOM 0 HZ PHE A 39 -1.938 7.237 -7.172 1.00 0.65 H new ATOM 348 N LYS A 40 -7.801 9.708 -8.633 1.00 0.66 N ATOM 349 CA LYS A 40 -7.475 10.434 -9.852 1.00 0.74 C ATOM 350 C LYS A 40 -8.143 11.805 -9.863 1.00 0.73 C ATOM 351 O LYS A 40 -7.790 12.672 -10.660 1.00 0.79 O ATOM 352 CB LYS A 40 -7.898 9.631 -11.082 1.00 0.82 C ATOM 353 CG LYS A 40 -9.380 9.300 -11.109 1.00 1.18 C ATOM 354 CD LYS A 40 -9.750 8.491 -12.338 1.00 1.09 C ATOM 355 CE LYS A 40 -9.538 9.288 -13.616 1.00 1.56 C ATOM 356 NZ LYS A 40 -9.822 8.478 -14.827 1.00 2.26 N ATOM 0 H LYS A 40 -8.483 8.960 -8.757 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.395 10.578 -9.881 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -7.643 10.195 -11.979 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -7.326 8.704 -11.115 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -9.645 8.741 -10.212 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -9.960 10.223 -11.092 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.149 7.582 -12.371 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -10.793 8.181 -12.270 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -10.183 10.166 -13.607 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -8.510 9.648 -13.653 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -9.666 9.057 -15.677 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -9.189 7.653 -14.849 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -10.810 8.155 -14.805 1.00 2.26 H new ATOM 370 N ALA A 41 -9.117 11.995 -8.979 1.00 0.68 N ATOM 371 CA ALA A 41 -9.766 13.290 -8.832 1.00 0.70 C ATOM 372 C ALA A 41 -8.939 14.195 -7.930 1.00 0.71 C ATOM 373 O ALA A 41 -9.277 15.365 -7.737 1.00 0.78 O ATOM 374 CB ALA A 41 -11.169 13.141 -8.271 1.00 0.68 C ATOM 0 H ALA A 41 -9.473 11.270 -8.356 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.841 13.741 -9.821 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.628 14.125 -8.173 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.767 12.527 -8.945 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -11.121 12.664 -7.292 1.00 0.68 H new ATOM 380 N LYS A 42 -7.876 13.614 -7.359 1.00 0.68 N ATOM 381 CA LYS A 42 -6.913 14.330 -6.514 1.00 0.70 C ATOM 382 C LYS A 42 -7.432 14.460 -5.088 1.00 0.66 C ATOM 383 O LYS A 42 -6.835 15.139 -4.252 1.00 0.70 O ATOM 384 CB LYS A 42 -6.578 15.715 -7.081 1.00 0.82 C ATOM 385 CG LYS A 42 -5.860 15.682 -8.419 1.00 0.96 C ATOM 386 CD LYS A 42 -5.746 17.076 -9.012 1.00 1.41 C ATOM 387 CE LYS A 42 -5.062 17.060 -10.369 1.00 1.57 C ATOM 388 NZ LYS A 42 -5.067 18.404 -11.006 1.00 2.30 N ATOM 0 H LYS A 42 -7.659 12.624 -7.472 1.00 0.68 H new ATOM 0 HA LYS A 42 -5.996 13.740 -6.503 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.501 16.284 -7.191 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.958 16.250 -6.361 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -4.865 15.255 -8.291 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -6.399 15.033 -9.109 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -6.741 17.511 -9.112 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -5.186 17.716 -8.330 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -4.034 16.716 -10.254 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -5.566 16.347 -11.021 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -4.592 18.352 -11.930 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -6.048 18.721 -11.139 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -4.564 19.079 -10.395 1.00 2.30 H new ATOM 402 N ASP A 43 -8.533 13.781 -4.811 1.00 0.61 N ATOM 403 CA ASP A 43 -9.132 13.806 -3.488 1.00 0.58 C ATOM 404 C ASP A 43 -8.808 12.511 -2.758 1.00 0.52 C ATOM 405 O ASP A 43 -9.626 11.590 -2.700 1.00 0.54 O ATOM 406 CB ASP A 43 -10.647 13.986 -3.582 1.00 0.61 C ATOM 407 CG ASP A 43 -11.265 14.449 -2.278 1.00 0.61 C ATOM 408 OD1 ASP A 43 -10.825 13.996 -1.195 1.00 0.60 O ATOM 409 OD2 ASP A 43 -12.208 15.264 -2.326 1.00 0.73 O ATOM 0 H ASP A 43 -9.031 13.204 -5.488 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.721 14.650 -2.934 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.874 14.710 -4.364 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.103 13.042 -3.880 1.00 0.61 H new ATOM 414 N TYR A 44 -7.596 12.431 -2.231 1.00 0.48 N ATOM 415 CA TYR A 44 -7.136 11.224 -1.566 1.00 0.45 C ATOM 416 C TYR A 44 -7.798 11.056 -0.213 1.00 0.44 C ATOM 417 O TYR A 44 -7.832 9.961 0.335 1.00 0.43 O ATOM 418 CB TYR A 44 -5.620 11.255 -1.408 1.00 0.45 C ATOM 419 CG TYR A 44 -4.891 11.543 -2.699 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.748 10.562 -3.669 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.350 12.798 -2.947 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.081 10.823 -4.851 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.683 13.066 -4.127 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.553 12.076 -5.075 1.00 0.64 C ATOM 425 OH TYR A 44 -2.879 12.332 -6.247 1.00 0.75 O ATOM 0 H TYR A 44 -6.913 13.189 -2.251 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.413 10.372 -2.186 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.354 12.013 -0.671 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.283 10.296 -1.014 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.164 9.580 -3.498 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.452 13.577 -2.206 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -3.974 10.048 -5.596 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.266 14.046 -4.305 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.770 13.300 -6.357 1.00 0.75 H new ATOM 435 N GLU A 45 -8.342 12.140 0.311 1.00 0.48 N ATOM 436 CA GLU A 45 -8.978 12.113 1.616 1.00 0.50 C ATOM 437 C GLU A 45 -10.316 11.450 1.545 1.00 0.46 C ATOM 438 O GLU A 45 -10.662 10.634 2.401 1.00 0.43 O ATOM 439 CB GLU A 45 -9.127 13.516 2.157 1.00 0.61 C ATOM 440 CG GLU A 45 -7.790 14.139 2.360 1.00 0.76 C ATOM 441 CD GLU A 45 -7.856 15.562 2.861 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.148 15.763 4.058 1.00 1.47 O ATOM 443 OE2 GLU A 45 -7.629 16.493 2.060 1.00 1.17 O ATOM 0 H GLU A 45 -8.356 13.051 -0.148 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.343 11.537 2.289 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -9.715 14.119 1.465 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -9.671 13.493 3.101 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.223 13.538 3.071 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.242 14.119 1.418 1.00 0.76 H new ATOM 450 N ASN A 46 -11.081 11.786 0.532 1.00 0.48 N ATOM 451 CA ASN A 46 -12.347 11.144 0.380 1.00 0.48 C ATOM 452 C ASN A 46 -12.132 9.715 -0.082 1.00 0.43 C ATOM 453 O ASN A 46 -12.919 8.826 0.231 1.00 0.43 O ATOM 454 CB ASN A 46 -13.278 11.904 -0.565 1.00 0.53 C ATOM 455 CG ASN A 46 -13.979 13.056 0.126 1.00 0.60 C ATOM 456 OD1 ASN A 46 -13.391 14.235 0.056 1.00 0.66 O flip ATOM 457 ND2 ASN A 46 -15.047 12.887 0.709 1.00 0.63 N flip ATOM 0 H ASN A 46 -10.850 12.482 -0.177 1.00 0.48 H new ATOM 0 HA ASN A 46 -12.845 11.138 1.349 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.704 12.284 -1.410 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -14.022 11.218 -0.969 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -15.470 11.959 0.741 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -15.511 13.675 1.161 1.00 0.63 H new ATOM 464 N ALA A 47 -11.038 9.496 -0.806 1.00 0.41 N ATOM 465 CA ALA A 47 -10.621 8.151 -1.163 1.00 0.38 C ATOM 466 C ALA A 47 -10.378 7.340 0.105 1.00 0.34 C ATOM 467 O ALA A 47 -10.851 6.211 0.231 1.00 0.32 O ATOM 468 CB ALA A 47 -9.375 8.192 -2.033 1.00 0.40 C ATOM 0 H ALA A 47 -10.427 10.235 -1.155 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.411 7.670 -1.740 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.077 7.176 -2.290 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.586 8.750 -2.945 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.567 8.680 -1.488 1.00 0.40 H new ATOM 474 N ILE A 48 -9.660 7.947 1.052 1.00 0.34 N ATOM 475 CA ILE A 48 -9.442 7.365 2.378 1.00 0.32 C ATOM 476 C ILE A 48 -10.766 6.910 2.990 1.00 0.29 C ATOM 477 O ILE A 48 -10.873 5.803 3.526 1.00 0.28 O ATOM 478 CB ILE A 48 -8.755 8.385 3.327 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.290 8.577 2.938 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.858 7.957 4.783 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.562 9.609 3.774 1.00 0.42 C ATOM 0 H ILE A 48 -9.214 8.855 0.922 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.788 6.502 2.257 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.280 9.334 3.220 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.773 7.622 3.027 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.238 8.871 1.890 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.366 8.696 5.415 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.908 7.879 5.066 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.374 6.989 4.913 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.528 9.687 3.437 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.053 10.576 3.667 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.580 9.307 4.821 1.00 0.42 H new ATOM 493 N LYS A 49 -11.772 7.767 2.890 1.00 0.31 N ATOM 494 CA LYS A 49 -13.103 7.456 3.384 1.00 0.32 C ATOM 495 C LYS A 49 -13.693 6.230 2.683 1.00 0.27 C ATOM 496 O LYS A 49 -14.113 5.281 3.337 1.00 0.27 O ATOM 497 CB LYS A 49 -14.030 8.652 3.186 1.00 0.39 C ATOM 498 CG LYS A 49 -15.496 8.289 3.302 1.00 0.44 C ATOM 499 CD LYS A 49 -16.391 9.394 2.782 1.00 0.63 C ATOM 500 CE LYS A 49 -17.811 8.895 2.628 1.00 1.02 C ATOM 501 NZ LYS A 49 -18.492 8.740 3.943 1.00 1.50 N ATOM 0 H LYS A 49 -11.688 8.691 2.467 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.015 7.231 4.447 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.791 9.416 3.925 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.846 9.089 2.205 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.689 7.372 2.745 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.739 8.085 4.345 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -16.369 10.241 3.467 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -16.018 9.751 1.822 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -18.375 9.591 2.007 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -17.805 7.937 2.108 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -18.795 7.752 4.063 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.834 8.995 4.707 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -19.323 9.364 3.979 1.00 1.50 H new ATOM 515 N PHE A 50 -13.722 6.245 1.361 1.00 0.27 N ATOM 516 CA PHE A 50 -14.324 5.149 0.605 1.00 0.27 C ATOM 517 C PHE A 50 -13.568 3.849 0.845 1.00 0.23 C ATOM 518 O PHE A 50 -14.145 2.763 0.802 1.00 0.25 O ATOM 519 CB PHE A 50 -14.387 5.479 -0.887 1.00 0.35 C ATOM 520 CG PHE A 50 -15.479 6.451 -1.231 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.296 7.810 -1.055 1.00 0.71 C ATOM 522 CD2 PHE A 50 -16.691 6.001 -1.723 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.300 8.705 -1.362 1.00 0.81 C ATOM 524 CE2 PHE A 50 -17.701 6.889 -2.036 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.505 8.244 -1.854 1.00 0.66 C ATOM 0 H PHE A 50 -13.339 6.997 0.788 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.346 5.017 0.959 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.429 5.892 -1.202 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.538 4.558 -1.450 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.355 8.176 -0.672 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -16.849 4.942 -1.864 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -16.144 9.764 -1.218 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -18.642 6.525 -2.422 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.293 8.942 -2.096 1.00 0.66 H new ATOM 535 N TYR A 51 -12.286 3.974 1.139 1.00 0.23 N ATOM 536 CA TYR A 51 -11.476 2.815 1.494 1.00 0.25 C ATOM 537 C TYR A 51 -11.869 2.291 2.871 1.00 0.21 C ATOM 538 O TYR A 51 -12.002 1.083 3.072 1.00 0.23 O ATOM 539 CB TYR A 51 -9.981 3.146 1.465 1.00 0.31 C ATOM 540 CG TYR A 51 -9.419 3.371 0.076 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.826 2.586 -0.997 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.475 4.362 -0.156 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.305 2.785 -2.262 1.00 0.67 C ATOM 544 CE2 TYR A 51 -7.951 4.567 -1.419 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.369 3.776 -2.468 1.00 0.72 C ATOM 546 OH TYR A 51 -7.849 3.977 -3.726 1.00 0.88 O ATOM 0 H TYR A 51 -11.782 4.861 1.140 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.665 2.040 0.751 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.807 4.040 2.064 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.431 2.333 1.939 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.560 1.809 -0.840 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.144 4.983 0.663 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.630 2.167 -3.086 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.218 5.343 -1.583 1.00 0.65 H new ATOM 0 HH TYR A 51 -8.337 3.426 -4.373 1.00 0.88 H new ATOM 556 N SER A 52 -12.083 3.199 3.818 1.00 0.20 N ATOM 557 CA SER A 52 -12.502 2.800 5.151 1.00 0.22 C ATOM 558 C SER A 52 -13.876 2.169 5.084 1.00 0.22 C ATOM 559 O SER A 52 -14.166 1.227 5.812 1.00 0.23 O ATOM 560 CB SER A 52 -12.505 3.985 6.116 1.00 0.25 C ATOM 561 OG SER A 52 -13.468 4.959 5.766 1.00 0.56 O ATOM 0 H SER A 52 -11.974 4.205 3.687 1.00 0.20 H new ATOM 0 HA SER A 52 -11.786 2.071 5.531 1.00 0.22 H new ATOM 0 HB2 SER A 52 -12.704 3.627 7.126 1.00 0.25 H new ATOM 0 HB3 SER A 52 -11.516 4.443 6.129 1.00 0.25 H new ATOM 0 HG SER A 52 -13.611 4.944 4.797 1.00 0.56 H new ATOM 567 N GLN A 53 -14.699 2.680 4.176 1.00 0.24 N ATOM 568 CA GLN A 53 -16.042 2.167 3.974 1.00 0.27 C ATOM 569 C GLN A 53 -15.996 0.733 3.464 1.00 0.26 C ATOM 570 O GLN A 53 -16.860 -0.075 3.786 1.00 0.30 O ATOM 571 CB GLN A 53 -16.813 3.058 3.005 1.00 0.31 C ATOM 572 CG GLN A 53 -17.071 4.455 3.539 1.00 0.37 C ATOM 573 CD GLN A 53 -18.122 5.198 2.741 1.00 0.49 C ATOM 574 OE1 GLN A 53 -18.848 6.029 3.277 1.00 1.12 O ATOM 575 NE2 GLN A 53 -18.210 4.905 1.453 1.00 0.94 N ATOM 0 H GLN A 53 -14.453 3.458 3.564 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.561 2.172 4.933 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.256 3.132 2.071 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.767 2.586 2.771 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.389 4.389 4.579 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.141 5.023 3.525 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -17.588 4.208 1.045 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -18.900 5.377 0.869 1.00 0.94 H new ATOM 584 N ALA A 54 -14.967 0.417 2.690 1.00 0.23 N ATOM 585 CA ALA A 54 -14.744 -0.949 2.236 1.00 0.24 C ATOM 586 C ALA A 54 -14.431 -1.849 3.426 1.00 0.23 C ATOM 587 O ALA A 54 -14.793 -3.025 3.451 1.00 0.25 O ATOM 588 CB ALA A 54 -13.611 -0.988 1.225 1.00 0.25 C ATOM 0 H ALA A 54 -14.273 1.089 2.363 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.650 -1.314 1.752 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.454 -2.014 0.894 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -13.867 -0.365 0.368 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -12.698 -0.613 1.687 1.00 0.25 H new ATOM 594 N ILE A 55 -13.774 -1.263 4.419 1.00 0.22 N ATOM 595 CA ILE A 55 -13.421 -1.962 5.654 1.00 0.22 C ATOM 596 C ILE A 55 -14.599 -1.940 6.625 1.00 0.24 C ATOM 597 O ILE A 55 -14.616 -2.634 7.640 1.00 0.27 O ATOM 598 CB ILE A 55 -12.196 -1.304 6.312 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.103 -1.104 5.269 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.679 -2.150 7.467 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.086 -0.074 5.672 1.00 0.28 C ATOM 0 H ILE A 55 -13.470 -0.290 4.394 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.178 -2.996 5.408 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.492 -0.335 6.714 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.599 -2.054 5.093 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.560 -0.805 4.325 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.813 -1.663 7.915 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.462 -2.260 8.217 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.391 -3.134 7.097 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.335 0.022 4.888 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.580 0.886 5.821 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.604 -0.382 6.600 1.00 0.28 H new ATOM 613 N GLU A 56 -15.569 -1.104 6.327 1.00 0.27 N ATOM 614 CA GLU A 56 -16.838 -1.139 7.035 1.00 0.31 C ATOM 615 C GLU A 56 -17.697 -2.286 6.509 1.00 0.31 C ATOM 616 O GLU A 56 -18.477 -2.885 7.250 1.00 0.34 O ATOM 617 CB GLU A 56 -17.558 0.191 6.861 1.00 0.34 C ATOM 618 CG GLU A 56 -16.704 1.378 7.263 1.00 0.36 C ATOM 619 CD GLU A 56 -16.619 1.557 8.765 1.00 0.45 C ATOM 620 OE1 GLU A 56 -17.476 2.265 9.330 1.00 0.78 O ATOM 621 OE2 GLU A 56 -15.699 0.986 9.386 1.00 0.81 O ATOM 0 H GLU A 56 -15.507 -0.391 5.600 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.655 -1.303 8.097 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -17.860 0.302 5.819 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.470 0.186 7.458 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.700 1.251 6.859 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.115 2.283 6.816 1.00 0.36 H new ATOM 628 N LEU A 57 -17.522 -2.603 5.234 1.00 0.31 N ATOM 629 CA LEU A 57 -18.282 -3.670 4.594 1.00 0.33 C ATOM 630 C LEU A 57 -17.625 -5.020 4.839 1.00 0.33 C ATOM 631 O LEU A 57 -18.232 -5.912 5.432 1.00 0.40 O ATOM 632 CB LEU A 57 -18.405 -3.393 3.102 1.00 0.34 C ATOM 633 CG LEU A 57 -18.946 -2.006 2.774 1.00 0.35 C ATOM 634 CD1 LEU A 57 -18.937 -1.770 1.286 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.344 -1.829 3.334 1.00 0.40 C ATOM 0 H LEU A 57 -16.857 -2.134 4.619 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.281 -3.700 5.029 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.425 -3.509 2.639 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.059 -4.142 2.656 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.295 -1.268 3.242 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.327 -0.775 1.073 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -17.916 -1.848 0.911 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.561 -2.517 0.795 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.711 -0.832 3.088 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.007 -2.577 2.900 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.320 -1.950 4.417 1.00 0.40 H new ATOM 647 N ASN A 58 -16.383 -5.174 4.396 1.00 0.29 N ATOM 648 CA ASN A 58 -15.611 -6.353 4.743 1.00 0.30 C ATOM 649 C ASN A 58 -14.704 -5.928 5.887 1.00 0.30 C ATOM 650 O ASN A 58 -14.583 -4.745 6.134 1.00 0.34 O ATOM 651 CB ASN A 58 -14.799 -6.750 3.496 1.00 0.35 C ATOM 652 CG ASN A 58 -14.232 -8.159 3.508 1.00 0.59 C ATOM 653 OD1 ASN A 58 -14.831 -9.089 4.036 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.072 -8.319 2.898 1.00 0.57 N ATOM 0 H ASN A 58 -15.896 -4.503 3.802 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.217 -7.207 5.046 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.436 -6.641 2.619 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -13.975 -6.046 3.381 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -12.642 -9.243 2.854 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -12.606 -7.519 2.471 1.00 0.57 H new ATOM 661 N PRO A 59 -14.045 -6.834 6.596 1.00 0.31 N ATOM 662 CA PRO A 59 -13.051 -6.458 7.578 1.00 0.35 C ATOM 663 C PRO A 59 -11.608 -6.761 7.175 1.00 0.35 C ATOM 664 O PRO A 59 -10.875 -5.878 6.723 1.00 0.35 O ATOM 665 CB PRO A 59 -13.504 -7.293 8.767 1.00 0.41 C ATOM 666 CG PRO A 59 -14.106 -8.541 8.169 1.00 0.41 C ATOM 667 CD PRO A 59 -14.356 -8.253 6.700 1.00 0.34 C ATOM 0 HA PRO A 59 -13.008 -5.383 7.750 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.666 -7.535 9.421 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.234 -6.754 9.371 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.431 -9.389 8.286 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -15.036 -8.801 8.675 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.717 -8.856 6.054 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.387 -8.464 6.415 1.00 0.34 H new ATOM 675 N SER A 60 -11.219 -8.019 7.333 1.00 0.44 N ATOM 676 CA SER A 60 -9.847 -8.444 7.167 1.00 0.49 C ATOM 677 C SER A 60 -9.463 -8.557 5.697 1.00 0.49 C ATOM 678 O SER A 60 -9.327 -9.658 5.159 1.00 0.68 O ATOM 679 CB SER A 60 -9.663 -9.789 7.863 1.00 0.63 C ATOM 680 OG SER A 60 -10.336 -9.800 9.113 1.00 1.52 O ATOM 0 H SER A 60 -11.857 -8.775 7.582 1.00 0.44 H new ATOM 0 HA SER A 60 -9.194 -7.694 7.613 1.00 0.49 H new ATOM 0 HB2 SER A 60 -10.048 -10.588 7.229 1.00 0.63 H new ATOM 0 HB3 SER A 60 -8.601 -9.985 8.014 1.00 0.63 H new ATOM 0 HG SER A 60 -10.209 -10.670 9.545 1.00 1.52 H new ATOM 686 N ASN A 61 -9.315 -7.419 5.041 1.00 0.43 N ATOM 687 CA ASN A 61 -8.846 -7.410 3.670 1.00 0.45 C ATOM 688 C ASN A 61 -7.616 -6.529 3.540 1.00 0.38 C ATOM 689 O ASN A 61 -7.696 -5.295 3.626 1.00 0.34 O ATOM 690 CB ASN A 61 -9.932 -6.951 2.702 1.00 0.48 C ATOM 691 CG ASN A 61 -9.604 -7.345 1.274 1.00 0.79 C ATOM 692 OD1 ASN A 61 -8.439 -7.443 0.899 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.623 -7.590 0.466 1.00 1.07 N ATOM 0 H ASN A 61 -9.511 -6.498 5.433 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.582 -8.434 3.405 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.888 -7.388 2.991 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -10.044 -5.869 2.766 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.452 -7.870 -0.500 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -11.579 -7.499 0.809 1.00 1.07 H new ATOM 700 N ALA A 62 -6.482 -7.180 3.327 1.00 0.42 N ATOM 701 CA ALA A 62 -5.209 -6.498 3.195 1.00 0.42 C ATOM 702 C ALA A 62 -5.257 -5.458 2.083 1.00 0.37 C ATOM 703 O ALA A 62 -4.614 -4.413 2.177 1.00 0.38 O ATOM 704 CB ALA A 62 -4.110 -7.510 2.928 1.00 0.52 C ATOM 0 H ALA A 62 -6.421 -8.195 3.241 1.00 0.42 H new ATOM 0 HA ALA A 62 -4.997 -5.977 4.129 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.155 -6.993 2.830 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.056 -8.216 3.757 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.328 -8.049 2.006 1.00 0.52 H new ATOM 710 N ILE A 63 -6.040 -5.746 1.045 1.00 0.36 N ATOM 711 CA ILE A 63 -6.204 -4.837 -0.084 1.00 0.35 C ATOM 712 C ILE A 63 -6.679 -3.466 0.385 1.00 0.31 C ATOM 713 O ILE A 63 -6.075 -2.447 0.062 1.00 0.34 O ATOM 714 CB ILE A 63 -7.225 -5.393 -1.109 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.760 -6.744 -1.663 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.447 -4.402 -2.244 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.480 -6.667 -2.459 1.00 0.74 C ATOM 0 H ILE A 63 -6.575 -6.611 0.964 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.229 -4.743 -0.562 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.173 -5.541 -0.592 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.620 -7.438 -0.834 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.546 -7.157 -2.295 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.167 -4.814 -2.951 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.831 -3.465 -1.839 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.502 -4.217 -2.755 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -5.214 -7.661 -2.818 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.620 -5.999 -3.309 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.680 -6.285 -1.825 1.00 0.74 H new ATOM 729 N TYR A 64 -7.733 -3.455 1.191 1.00 0.29 N ATOM 730 CA TYR A 64 -8.380 -2.207 1.581 1.00 0.28 C ATOM 731 C TYR A 64 -7.518 -1.418 2.552 1.00 0.30 C ATOM 732 O TYR A 64 -7.566 -0.186 2.582 1.00 0.34 O ATOM 733 CB TYR A 64 -9.748 -2.487 2.194 1.00 0.26 C ATOM 734 CG TYR A 64 -10.676 -3.232 1.265 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.665 -2.990 -0.103 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.555 -4.183 1.756 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.500 -3.682 -0.956 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.390 -4.882 0.911 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.363 -4.628 -0.445 1.00 0.35 C ATOM 740 OH TYR A 64 -13.194 -5.327 -1.290 1.00 0.42 O ATOM 0 H TYR A 64 -8.158 -4.293 1.587 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.512 -1.604 0.683 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.617 -3.066 3.108 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.211 -1.542 2.479 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.992 -2.248 -0.506 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.587 -4.380 2.817 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.478 -3.484 -2.017 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.064 -5.626 1.309 1.00 0.43 H new ATOM 0 HH TYR A 64 -12.707 -5.561 -2.108 1.00 0.42 H new ATOM 750 N TYR A 65 -6.730 -2.121 3.349 1.00 0.30 N ATOM 751 CA TYR A 65 -5.797 -1.453 4.240 1.00 0.32 C ATOM 752 C TYR A 65 -4.602 -0.916 3.457 1.00 0.33 C ATOM 753 O TYR A 65 -4.080 0.155 3.767 1.00 0.37 O ATOM 754 CB TYR A 65 -5.354 -2.390 5.361 1.00 0.34 C ATOM 755 CG TYR A 65 -6.379 -2.514 6.470 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.524 -3.292 6.317 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.198 -1.852 7.675 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.447 -3.408 7.336 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.120 -1.961 8.698 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.241 -2.742 8.525 1.00 0.47 C ATOM 761 OH TYR A 65 -9.152 -2.868 9.548 1.00 0.55 O ATOM 0 H TYR A 65 -6.717 -3.140 3.397 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.303 -0.605 4.701 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.157 -3.378 4.944 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.415 -2.027 5.780 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.692 -3.813 5.386 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.320 -1.240 7.816 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.328 -4.019 7.202 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.962 -1.436 9.629 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.857 -2.335 10.316 1.00 0.55 H new ATOM 771 N GLY A 66 -4.186 -1.651 2.429 1.00 0.35 N ATOM 772 CA GLY A 66 -3.167 -1.153 1.522 1.00 0.41 C ATOM 773 C GLY A 66 -3.658 0.070 0.778 1.00 0.43 C ATOM 774 O GLY A 66 -2.922 1.045 0.602 1.00 0.51 O ATOM 0 H GLY A 66 -4.537 -2.583 2.208 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.265 -0.905 2.082 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.896 -1.932 0.810 1.00 0.41 H new ATOM 778 N ASN A 67 -4.921 0.012 0.363 1.00 0.44 N ATOM 779 CA ASN A 67 -5.600 1.145 -0.254 1.00 0.57 C ATOM 780 C ASN A 67 -5.450 2.393 0.601 1.00 0.41 C ATOM 781 O ASN A 67 -5.029 3.445 0.118 1.00 0.38 O ATOM 782 CB ASN A 67 -7.090 0.856 -0.425 1.00 0.84 C ATOM 783 CG ASN A 67 -7.402 -0.218 -1.446 1.00 1.28 C ATOM 784 OD1 ASN A 67 -8.351 -0.977 -1.280 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.628 -0.274 -2.515 1.00 1.35 N ATOM 0 H ASN A 67 -5.501 -0.823 0.446 1.00 0.44 H new ATOM 0 HA ASN A 67 -5.141 1.307 -1.229 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -7.503 0.557 0.538 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -7.596 1.776 -0.717 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.810 -0.967 -3.241 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -5.848 0.376 -2.615 1.00 1.35 H new ATOM 792 N ARG A 68 -5.811 2.272 1.876 1.00 0.39 N ATOM 793 CA ARG A 68 -5.702 3.391 2.798 1.00 0.39 C ATOM 794 C ARG A 68 -4.255 3.812 2.959 1.00 0.31 C ATOM 795 O ARG A 68 -3.958 4.997 2.929 1.00 0.32 O ATOM 796 CB ARG A 68 -6.300 3.063 4.164 1.00 0.53 C ATOM 797 CG ARG A 68 -7.816 2.990 4.167 1.00 0.80 C ATOM 798 CD ARG A 68 -8.389 3.485 5.484 1.00 0.48 C ATOM 799 NE ARG A 68 -7.856 2.752 6.629 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.346 2.831 7.861 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.379 3.622 8.127 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.784 2.131 8.831 1.00 1.87 N ATOM 0 H ARG A 68 -6.179 1.415 2.289 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.272 4.216 2.370 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -5.899 2.109 4.506 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -5.980 3.819 4.881 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -8.213 3.589 3.347 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -8.133 1.962 3.993 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.167 4.546 5.599 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.474 3.387 5.466 1.00 0.48 H new ATOM 0 HE ARG A 68 -7.055 2.140 6.473 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -9.803 4.175 7.382 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -9.749 3.676 9.076 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.980 1.536 8.631 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.154 2.186 9.780 1.00 1.87 H new ATOM 816 N SER A 69 -3.362 2.839 3.118 1.00 0.31 N ATOM 817 CA SER A 69 -1.935 3.119 3.246 1.00 0.32 C ATOM 818 C SER A 69 -1.473 4.051 2.132 1.00 0.27 C ATOM 819 O SER A 69 -0.855 5.079 2.388 1.00 0.27 O ATOM 820 CB SER A 69 -1.130 1.820 3.202 1.00 0.43 C ATOM 821 OG SER A 69 -1.561 0.919 4.205 1.00 1.16 O ATOM 0 H SER A 69 -3.602 1.849 3.161 1.00 0.31 H new ATOM 0 HA SER A 69 -1.767 3.606 4.206 1.00 0.32 H new ATOM 0 HB2 SER A 69 -1.236 1.356 2.222 1.00 0.43 H new ATOM 0 HB3 SER A 69 -0.071 2.040 3.337 1.00 0.43 H new ATOM 0 HG SER A 69 -2.353 0.435 3.891 1.00 1.16 H new ATOM 827 N LEU A 70 -1.812 3.695 0.902 1.00 0.28 N ATOM 828 CA LEU A 70 -1.434 4.478 -0.266 1.00 0.31 C ATOM 829 C LEU A 70 -2.115 5.854 -0.254 1.00 0.31 C ATOM 830 O LEU A 70 -1.514 6.854 -0.646 1.00 0.38 O ATOM 831 CB LEU A 70 -1.778 3.682 -1.536 1.00 0.36 C ATOM 832 CG LEU A 70 -1.244 4.235 -2.864 1.00 0.46 C ATOM 833 CD1 LEU A 70 -2.203 5.254 -3.453 1.00 1.25 C ATOM 834 CD2 LEU A 70 0.141 4.846 -2.682 1.00 1.16 C ATOM 0 H LEU A 70 -2.355 2.859 0.685 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.360 4.662 -0.248 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.400 2.667 -1.414 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.863 3.611 -1.609 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.161 3.402 -3.562 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -1.801 5.631 -4.394 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.169 4.782 -3.634 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.328 6.082 -2.755 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.497 5.231 -3.638 1.00 1.16 H new ATOM 0 HD22 LEU A 70 0.087 5.661 -1.960 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.830 4.084 -2.318 1.00 1.16 H new ATOM 846 N ALA A 71 -3.355 5.912 0.216 1.00 0.26 N ATOM 847 CA ALA A 71 -4.082 7.170 0.299 1.00 0.30 C ATOM 848 C ALA A 71 -3.464 8.074 1.363 1.00 0.29 C ATOM 849 O ALA A 71 -3.357 9.289 1.181 1.00 0.36 O ATOM 850 CB ALA A 71 -5.545 6.906 0.600 1.00 0.32 C ATOM 0 H ALA A 71 -3.878 5.101 0.546 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.013 7.681 -0.661 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.081 7.853 0.660 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.975 6.296 -0.194 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.632 6.379 1.550 1.00 0.32 H new ATOM 856 N TYR A 72 -3.059 7.469 2.472 1.00 0.25 N ATOM 857 CA TYR A 72 -2.331 8.179 3.510 1.00 0.25 C ATOM 858 C TYR A 72 -0.957 8.591 2.987 1.00 0.26 C ATOM 859 O TYR A 72 -0.458 9.665 3.298 1.00 0.30 O ATOM 860 CB TYR A 72 -2.169 7.311 4.762 1.00 0.25 C ATOM 861 CG TYR A 72 -3.441 7.092 5.561 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.096 8.151 6.181 1.00 0.34 C ATOM 863 CD2 TYR A 72 -3.974 5.819 5.712 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.245 7.947 6.926 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.117 5.605 6.455 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.749 6.669 7.059 1.00 0.43 C ATOM 867 OH TYR A 72 -6.885 6.448 7.808 1.00 0.52 O ATOM 0 H TYR A 72 -3.224 6.483 2.674 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.902 9.067 3.781 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.774 6.340 4.464 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.425 7.772 5.411 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.701 9.151 6.079 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.485 4.980 5.239 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.743 8.781 7.399 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.514 4.607 6.562 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.104 5.493 7.797 1.00 0.52 H new ATOM 877 N LEU A 73 -0.360 7.721 2.185 1.00 0.26 N ATOM 878 CA LEU A 73 0.932 7.986 1.559 1.00 0.30 C ATOM 879 C LEU A 73 0.862 9.199 0.630 1.00 0.37 C ATOM 880 O LEU A 73 1.812 9.977 0.540 1.00 0.50 O ATOM 881 CB LEU A 73 1.396 6.733 0.806 1.00 0.31 C ATOM 882 CG LEU A 73 2.072 5.677 1.687 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.106 4.327 0.986 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.485 6.110 2.044 1.00 0.43 C ATOM 0 H LEU A 73 -0.756 6.811 1.949 1.00 0.26 H new ATOM 0 HA LEU A 73 1.660 8.224 2.335 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.535 6.280 0.314 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.091 7.032 0.021 1.00 0.31 H new ATOM 0 HG LEU A 73 1.488 5.578 2.602 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.591 3.594 1.631 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.088 4.003 0.770 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.664 4.415 0.054 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.951 5.349 2.670 1.00 0.43 H new ATOM 0 HD22 LEU A 73 4.068 6.237 1.132 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.450 7.055 2.587 1.00 0.43 H new ATOM 896 N ARG A 74 -0.272 9.368 -0.039 1.00 0.38 N ATOM 897 CA ARG A 74 -0.489 10.531 -0.898 1.00 0.48 C ATOM 898 C ARG A 74 -0.682 11.791 -0.061 1.00 0.53 C ATOM 899 O ARG A 74 -0.255 12.881 -0.442 1.00 0.67 O ATOM 900 CB ARG A 74 -1.722 10.330 -1.781 1.00 0.51 C ATOM 901 CG ARG A 74 -1.626 9.155 -2.737 1.00 0.48 C ATOM 902 CD ARG A 74 -0.491 9.327 -3.734 1.00 1.19 C ATOM 903 NE ARG A 74 -0.743 10.429 -4.664 1.00 1.95 N ATOM 904 CZ ARG A 74 0.213 11.139 -5.262 1.00 2.78 C ATOM 905 NH1 ARG A 74 1.491 10.889 -5.008 1.00 3.07 N ATOM 906 NH2 ARG A 74 -0.118 12.106 -6.110 1.00 3.53 N ATOM 0 H ARG A 74 -1.056 8.717 -0.005 1.00 0.38 H new ATOM 0 HA ARG A 74 0.394 10.644 -1.527 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.593 10.191 -1.141 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -1.892 11.239 -2.358 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.475 8.237 -2.170 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.568 9.046 -3.274 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.439 9.511 -3.197 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.357 8.402 -4.295 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.713 10.669 -4.867 1.00 1.95 H new ATOM 0 HH11 ARG A 74 1.746 10.150 -4.352 1.00 3.07 H new ATOM 0 HH12 ARG A 74 2.219 11.435 -5.468 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -1.100 12.303 -6.301 1.00 3.53 H new ATOM 0 HH22 ARG A 74 0.610 12.652 -6.570 1.00 3.53 H new ATOM 920 N THR A 75 -1.321 11.628 1.086 1.00 0.48 N ATOM 921 CA THR A 75 -1.687 12.754 1.926 1.00 0.57 C ATOM 922 C THR A 75 -0.631 13.036 2.997 1.00 0.70 C ATOM 923 O THR A 75 -0.844 13.863 3.884 1.00 1.53 O ATOM 924 CB THR A 75 -3.054 12.501 2.591 1.00 0.54 C ATOM 925 OG1 THR A 75 -3.059 11.216 3.223 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.174 12.552 1.567 1.00 0.49 C ATOM 0 H THR A 75 -1.598 10.719 1.458 1.00 0.48 H new ATOM 0 HA THR A 75 -1.751 13.632 1.284 1.00 0.57 H new ATOM 0 HB THR A 75 -3.217 13.282 3.333 1.00 0.54 H new ATOM 0 HG1 THR A 75 -3.274 10.526 2.561 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.128 12.370 2.062 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.191 13.534 1.095 1.00 0.49 H new ATOM 0 HG23 THR A 75 -4.008 11.788 0.808 1.00 0.49 H new ATOM 934 N GLU A 76 0.508 12.343 2.902 1.00 0.57 N ATOM 935 CA GLU A 76 1.624 12.527 3.835 1.00 0.59 C ATOM 936 C GLU A 76 1.216 12.145 5.256 1.00 0.42 C ATOM 937 O GLU A 76 1.713 12.691 6.240 1.00 0.45 O ATOM 938 CB GLU A 76 2.124 13.968 3.777 1.00 0.86 C ATOM 939 CG GLU A 76 2.659 14.352 2.409 1.00 1.85 C ATOM 940 CD GLU A 76 3.017 15.813 2.318 1.00 2.38 C ATOM 941 OE1 GLU A 76 4.107 16.188 2.796 1.00 2.71 O ATOM 942 OE2 GLU A 76 2.217 16.589 1.759 1.00 2.77 O ATOM 0 H GLU A 76 0.682 11.643 2.181 1.00 0.57 H new ATOM 0 HA GLU A 76 2.438 11.866 3.537 1.00 0.59 H new ATOM 0 HB2 GLU A 76 1.310 14.641 4.045 1.00 0.86 H new ATOM 0 HB3 GLU A 76 2.909 14.105 4.520 1.00 0.86 H new ATOM 0 HG2 GLU A 76 3.540 13.751 2.185 1.00 1.85 H new ATOM 0 HG3 GLU A 76 1.912 14.117 1.651 1.00 1.85 H new ATOM 949 N CYS A 77 0.335 11.166 5.329 1.00 0.32 N ATOM 950 CA CYS A 77 -0.185 10.637 6.581 1.00 0.32 C ATOM 951 C CYS A 77 0.521 9.339 6.939 1.00 0.32 C ATOM 952 O CYS A 77 -0.095 8.410 7.465 1.00 0.35 O ATOM 953 CB CYS A 77 -1.676 10.383 6.445 1.00 0.33 C ATOM 954 SG CYS A 77 -2.653 11.859 6.095 1.00 0.37 S ATOM 0 H CYS A 77 -0.049 10.705 4.504 1.00 0.32 H new ATOM 0 HA CYS A 77 -0.008 11.365 7.372 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.838 9.657 5.648 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -2.041 9.930 7.367 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.208 11.744 4.925 1.00 0.37 H new ATOM 960 N TYR A 78 1.804 9.287 6.614 1.00 0.34 N ATOM 961 CA TYR A 78 2.615 8.078 6.725 1.00 0.38 C ATOM 962 C TYR A 78 2.450 7.347 8.058 1.00 0.41 C ATOM 963 O TYR A 78 2.614 6.130 8.111 1.00 0.43 O ATOM 964 CB TYR A 78 4.079 8.432 6.510 1.00 0.44 C ATOM 965 CG TYR A 78 4.306 9.301 5.298 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.729 8.977 4.082 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.082 10.450 5.374 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.920 9.769 2.967 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.278 11.251 4.262 1.00 0.66 C ATOM 970 CZ TYR A 78 4.696 10.904 3.062 1.00 0.66 C ATOM 971 OH TYR A 78 4.883 11.696 1.953 1.00 0.84 O ATOM 0 H TYR A 78 2.320 10.093 6.261 1.00 0.34 H new ATOM 0 HA TYR A 78 2.263 7.392 5.955 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.456 8.946 7.394 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.657 7.514 6.405 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.119 8.089 4.004 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.539 10.723 6.314 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.464 9.500 2.026 1.00 0.66 H new ATOM 0 HE2 TYR A 78 5.883 12.142 4.334 1.00 0.66 H new ATOM 0 HH TYR A 78 5.454 12.458 2.187 1.00 0.84 H new ATOM 981 N GLY A 79 2.132 8.075 9.124 1.00 0.43 N ATOM 982 CA GLY A 79 1.867 7.439 10.403 1.00 0.49 C ATOM 983 C GLY A 79 0.773 6.392 10.294 1.00 0.42 C ATOM 984 O GLY A 79 0.956 5.237 10.690 1.00 0.42 O ATOM 0 H GLY A 79 2.053 9.092 9.126 1.00 0.43 H new ATOM 0 HA2 GLY A 79 2.780 6.974 10.774 1.00 0.49 H new ATOM 0 HA3 GLY A 79 1.576 8.195 11.132 1.00 0.49 H new ATOM 988 N TYR A 80 -0.357 6.790 9.719 1.00 0.38 N ATOM 989 CA TYR A 80 -1.475 5.878 9.509 1.00 0.36 C ATOM 990 C TYR A 80 -1.128 4.865 8.428 1.00 0.30 C ATOM 991 O TYR A 80 -1.511 3.701 8.509 1.00 0.32 O ATOM 992 CB TYR A 80 -2.733 6.636 9.087 1.00 0.40 C ATOM 993 CG TYR A 80 -3.230 7.656 10.085 1.00 0.56 C ATOM 994 CD1 TYR A 80 -4.097 7.294 11.106 1.00 0.96 C ATOM 995 CD2 TYR A 80 -2.847 8.987 9.990 1.00 1.06 C ATOM 996 CE1 TYR A 80 -4.570 8.231 12.004 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.312 9.928 10.885 1.00 1.34 C ATOM 998 CZ TYR A 80 -4.174 9.546 11.889 1.00 1.29 C ATOM 999 OH TYR A 80 -4.642 10.485 12.782 1.00 1.70 O ATOM 0 H TYR A 80 -0.523 7.741 9.389 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.667 5.368 10.453 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.534 7.142 8.142 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.528 5.914 8.901 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -4.407 6.264 11.200 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -2.174 9.291 9.202 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -5.247 7.935 12.792 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -3.002 10.959 10.799 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.266 11.362 12.561 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.400 5.329 7.415 1.00 0.28 N ATOM 1010 CA ALA A 81 -0.004 4.486 6.294 1.00 0.28 C ATOM 1011 C ALA A 81 0.823 3.301 6.772 1.00 0.29 C ATOM 1012 O ALA A 81 0.576 2.161 6.388 1.00 0.33 O ATOM 1013 CB ALA A 81 0.778 5.296 5.269 1.00 0.31 C ATOM 0 H ALA A 81 -0.071 6.292 7.350 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.909 4.104 5.822 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.066 4.651 4.439 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.156 6.110 4.897 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.673 5.707 5.736 1.00 0.31 H new ATOM 1019 N LEU A 82 1.793 3.586 7.628 1.00 0.30 N ATOM 1020 CA LEU A 82 2.661 2.561 8.178 1.00 0.34 C ATOM 1021 C LEU A 82 1.840 1.577 9.016 1.00 0.32 C ATOM 1022 O LEU A 82 2.084 0.366 8.982 1.00 0.37 O ATOM 1023 CB LEU A 82 3.777 3.233 9.003 1.00 0.42 C ATOM 1024 CG LEU A 82 4.963 2.350 9.426 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.581 1.429 10.565 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.480 1.539 8.249 1.00 0.52 C ATOM 0 H LEU A 82 1.998 4.529 7.958 1.00 0.30 H new ATOM 0 HA LEU A 82 3.129 1.991 7.375 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.168 4.070 8.425 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.327 3.650 9.904 1.00 0.42 H new ATOM 0 HG LEU A 82 5.758 3.011 9.772 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.440 0.817 10.842 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.267 2.023 11.423 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.761 0.783 10.251 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.319 0.922 8.572 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.683 0.899 7.870 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.809 2.214 7.459 1.00 0.52 H new ATOM 1038 N ASN A 83 0.857 2.097 9.749 1.00 0.32 N ATOM 1039 CA ASN A 83 -0.022 1.252 10.558 1.00 0.39 C ATOM 1040 C ASN A 83 -0.845 0.313 9.682 1.00 0.38 C ATOM 1041 O ASN A 83 -0.772 -0.908 9.828 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.971 2.092 11.422 1.00 0.47 C ATOM 1043 CG ASN A 83 -0.262 2.845 12.532 1.00 1.25 C ATOM 1044 OD1 ASN A 83 0.825 2.463 12.967 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -0.887 3.906 13.020 1.00 2.09 N ATOM 0 H ASN A 83 0.649 3.094 9.800 1.00 0.32 H new ATOM 0 HA ASN A 83 0.623 0.663 11.210 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -1.495 2.805 10.786 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.726 1.440 11.860 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -0.469 4.438 13.783 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -1.787 4.191 12.633 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.620 0.889 8.767 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.520 0.116 7.909 1.00 0.45 C ATOM 1054 C ASP A 84 -1.764 -0.907 7.069 1.00 0.42 C ATOM 1055 O ASP A 84 -2.237 -2.027 6.870 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.331 1.047 6.999 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.631 1.505 7.632 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -4.591 2.131 8.711 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.702 1.244 7.049 1.00 1.19 O ATOM 0 H ASP A 84 -1.644 1.895 8.598 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.202 -0.427 8.563 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.727 1.919 6.749 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -3.550 0.532 6.063 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.588 -0.530 6.586 1.00 0.41 N ATOM 1065 CA ALA A 85 0.234 -1.430 5.787 1.00 0.43 C ATOM 1066 C ALA A 85 0.669 -2.643 6.601 1.00 0.42 C ATOM 1067 O ALA A 85 0.576 -3.782 6.138 1.00 0.42 O ATOM 1068 CB ALA A 85 1.443 -0.692 5.240 1.00 0.48 C ATOM 0 H ALA A 85 -0.181 0.394 6.733 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.366 -1.787 4.950 1.00 0.43 H new ATOM 0 HB1 ALA A 85 2.048 -1.376 4.645 1.00 0.48 H new ATOM 0 HB2 ALA A 85 1.111 0.137 4.614 1.00 0.48 H new ATOM 0 HB3 ALA A 85 2.039 -0.306 6.067 1.00 0.48 H new ATOM 1074 N THR A 86 1.129 -2.396 7.821 1.00 0.42 N ATOM 1075 CA THR A 86 1.528 -3.472 8.716 1.00 0.44 C ATOM 1076 C THR A 86 0.312 -4.320 9.084 1.00 0.43 C ATOM 1077 O THR A 86 0.383 -5.548 9.143 1.00 0.44 O ATOM 1078 CB THR A 86 2.187 -2.916 9.998 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.256 -2.023 9.646 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.728 -4.042 10.870 1.00 0.55 C ATOM 0 H THR A 86 1.235 -1.460 8.212 1.00 0.42 H new ATOM 0 HA THR A 86 2.260 -4.091 8.198 1.00 0.44 H new ATOM 0 HB THR A 86 1.428 -2.377 10.565 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.886 -1.146 9.413 1.00 0.47 H new ATOM 0 HG21 THR A 86 3.186 -3.621 11.765 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.911 -4.704 11.157 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.474 -4.608 10.312 1.00 0.55 H new ATOM 1088 N ARG A 87 -0.810 -3.644 9.295 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.074 -4.296 9.596 1.00 0.43 C ATOM 1090 C ARG A 87 -2.502 -5.217 8.453 1.00 0.39 C ATOM 1091 O ARG A 87 -3.075 -6.276 8.694 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.136 -3.228 9.865 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.570 -3.731 9.867 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.909 -4.575 11.086 1.00 0.71 C ATOM 1095 NE ARG A 87 -6.359 -4.742 11.207 1.00 1.63 N ATOM 1096 CZ ARG A 87 -6.962 -5.584 12.045 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -6.252 -6.396 12.821 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -8.287 -5.623 12.091 1.00 3.28 N ATOM 0 H ARG A 87 -0.867 -2.626 9.262 1.00 0.43 H new ATOM 0 HA ARG A 87 -1.955 -4.917 10.484 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -2.928 -2.766 10.830 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.042 -2.447 9.111 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.247 -2.878 9.824 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -4.742 -4.320 8.966 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -4.430 -5.551 11.005 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -4.515 -4.101 11.985 1.00 0.71 H new ATOM 0 HE ARG A 87 -6.952 -4.171 10.605 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -5.233 -6.379 12.779 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -6.726 -7.036 13.458 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -8.836 -5.011 11.488 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -8.756 -6.265 12.730 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.214 -4.825 7.214 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.521 -5.670 6.065 1.00 0.38 C ATOM 1114 C ALA A 88 -1.719 -6.957 6.115 1.00 0.39 C ATOM 1115 O ALA A 88 -2.241 -8.021 5.815 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.255 -4.958 4.755 1.00 0.42 C ATOM 0 H ALA A 88 -1.772 -3.935 6.982 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.584 -5.904 6.117 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.496 -5.622 3.925 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.874 -4.063 4.695 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.203 -4.677 4.701 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.452 -6.852 6.493 1.00 0.42 N ATOM 1123 CA ILE A 89 0.392 -8.028 6.675 1.00 0.47 C ATOM 1124 C ILE A 89 -0.192 -8.944 7.756 1.00 0.47 C ATOM 1125 O ILE A 89 0.004 -10.158 7.740 1.00 0.59 O ATOM 1126 CB ILE A 89 1.832 -7.622 7.060 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.419 -6.689 5.996 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.712 -8.854 7.226 1.00 0.66 C ATOM 1129 CD1 ILE A 89 3.812 -6.193 6.322 1.00 1.15 C ATOM 0 H ILE A 89 0.015 -5.965 6.680 1.00 0.42 H new ATOM 0 HA ILE A 89 0.423 -8.566 5.728 1.00 0.47 H new ATOM 0 HB ILE A 89 1.799 -7.094 8.013 1.00 0.60 H new ATOM 0 HG12 ILE A 89 2.444 -7.213 5.040 1.00 0.73 H new ATOM 0 HG13 ILE A 89 1.757 -5.832 5.873 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.722 -8.546 7.497 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.303 -9.490 8.011 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.741 -9.409 6.288 1.00 0.66 H new ATOM 0 HD11 ILE A 89 4.161 -5.538 5.524 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.791 -5.640 7.261 1.00 1.15 H new ATOM 0 HD13 ILE A 89 4.488 -7.043 6.416 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.920 -8.345 8.687 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.579 -9.096 9.748 1.00 0.43 C ATOM 1143 C GLU A 90 -2.887 -9.713 9.257 1.00 0.40 C ATOM 1144 O GLU A 90 -3.390 -10.677 9.838 1.00 0.47 O ATOM 1145 CB GLU A 90 -1.848 -8.181 10.939 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.583 -7.652 11.593 1.00 0.50 C ATOM 1147 CD GLU A 90 0.306 -8.764 12.107 1.00 0.58 C ATOM 1148 OE1 GLU A 90 0.086 -9.238 13.241 1.00 0.82 O ATOM 1149 OE2 GLU A 90 1.238 -9.166 11.382 1.00 0.73 O ATOM 0 H GLU A 90 -1.070 -7.337 8.730 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.917 -9.906 10.054 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.457 -7.339 10.610 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.431 -8.726 11.681 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.029 -7.050 10.873 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -0.852 -6.993 12.419 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.432 -9.147 8.193 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.668 -9.637 7.601 1.00 0.39 C ATOM 1158 C LEU A 91 -4.359 -10.691 6.550 1.00 0.43 C ATOM 1159 O LEU A 91 -5.102 -11.657 6.376 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.432 -8.486 6.954 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.782 -7.329 7.882 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.358 -6.187 7.079 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.763 -7.765 8.954 1.00 0.45 C ATOM 0 H LEU A 91 -3.033 -8.338 7.716 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.280 -10.078 8.387 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.838 -8.098 6.126 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.355 -8.879 6.528 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.870 -6.997 8.378 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.607 -5.362 7.746 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.625 -5.852 6.345 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.259 -6.522 6.565 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.994 -6.919 9.601 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.679 -8.124 8.485 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.321 -8.566 9.547 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.253 -10.487 5.853 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.785 -11.405 4.846 1.00 0.53 C ATOM 1177 C ASP A 92 -1.279 -11.448 4.942 1.00 0.56 C ATOM 1178 O ASP A 92 -0.590 -10.531 4.486 1.00 0.82 O ATOM 1179 CB ASP A 92 -3.212 -10.990 3.436 1.00 0.66 C ATOM 1180 CG ASP A 92 -3.167 -12.152 2.456 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -2.482 -13.157 2.750 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -3.802 -12.063 1.381 1.00 2.34 O ATOM 0 H ASP A 92 -2.655 -9.670 5.977 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.224 -12.387 5.023 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -4.223 -10.584 3.469 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.560 -10.192 3.081 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.778 -12.494 5.573 1.00 0.48 N ATOM 1188 CA LYS A 93 0.634 -12.593 5.886 1.00 0.50 C ATOM 1189 C LYS A 93 1.459 -12.580 4.607 1.00 0.55 C ATOM 1190 O LYS A 93 2.611 -12.142 4.603 1.00 0.64 O ATOM 1191 CB LYS A 93 0.884 -13.849 6.716 1.00 0.55 C ATOM 1192 CG LYS A 93 2.005 -13.712 7.742 1.00 0.73 C ATOM 1193 CD LYS A 93 3.377 -13.612 7.101 1.00 1.22 C ATOM 1194 CE LYS A 93 4.442 -13.202 8.108 1.00 1.76 C ATOM 1195 NZ LYS A 93 4.521 -14.132 9.268 1.00 2.61 N ATOM 0 H LYS A 93 -1.334 -13.292 5.880 1.00 0.48 H new ATOM 0 HA LYS A 93 0.944 -11.731 6.478 1.00 0.50 H new ATOM 0 HB2 LYS A 93 -0.037 -14.116 7.235 1.00 0.55 H new ATOM 0 HB3 LYS A 93 1.122 -14.673 6.043 1.00 0.55 H new ATOM 0 HG2 LYS A 93 1.828 -12.826 8.351 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.984 -14.570 8.414 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.644 -14.573 6.661 1.00 1.22 H new ATOM 0 HD3 LYS A 93 3.347 -12.886 6.288 1.00 1.22 H new ATOM 0 HE2 LYS A 93 5.411 -13.164 7.611 1.00 1.76 H new ATOM 0 HE3 LYS A 93 4.228 -12.196 8.468 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 5.346 -13.888 9.853 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 3.656 -14.049 9.839 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 4.617 -15.109 8.924 1.00 2.61 H new ATOM 1209 N LYS A 94 0.879 -13.038 3.512 1.00 0.55 N ATOM 1210 CA LYS A 94 1.479 -12.753 2.235 1.00 0.61 C ATOM 1211 C LYS A 94 0.614 -11.758 1.491 1.00 0.60 C ATOM 1212 O LYS A 94 -0.377 -12.107 0.850 1.00 0.69 O ATOM 1213 CB LYS A 94 1.665 -14.021 1.403 1.00 0.76 C ATOM 1214 CG LYS A 94 2.704 -14.978 1.962 1.00 0.96 C ATOM 1215 CD LYS A 94 2.873 -16.188 1.062 1.00 1.17 C ATOM 1216 CE LYS A 94 3.353 -15.787 -0.325 1.00 1.41 C ATOM 1217 NZ LYS A 94 3.412 -16.951 -1.247 1.00 2.11 N ATOM 0 H LYS A 94 0.022 -13.590 3.485 1.00 0.55 H new ATOM 0 HA LYS A 94 2.469 -12.330 2.405 1.00 0.61 H new ATOM 0 HB2 LYS A 94 0.709 -14.540 1.331 1.00 0.76 H new ATOM 0 HB3 LYS A 94 1.952 -13.740 0.390 1.00 0.76 H new ATOM 0 HG2 LYS A 94 3.659 -14.463 2.066 1.00 0.96 H new ATOM 0 HG3 LYS A 94 2.406 -15.302 2.959 1.00 0.96 H new ATOM 0 HD2 LYS A 94 3.587 -16.879 1.510 1.00 1.17 H new ATOM 0 HD3 LYS A 94 1.924 -16.718 0.981 1.00 1.17 H new ATOM 0 HE2 LYS A 94 2.684 -15.031 -0.736 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.341 -15.332 -0.250 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 3.743 -16.637 -2.182 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 4.069 -17.662 -0.867 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 2.464 -17.370 -1.338 1.00 2.11 H new ATOM 1231 N TYR A 95 1.020 -10.512 1.593 1.00 0.53 N ATOM 1232 CA TYR A 95 0.482 -9.432 0.804 1.00 0.58 C ATOM 1233 C TYR A 95 1.649 -8.565 0.389 1.00 0.55 C ATOM 1234 O TYR A 95 1.904 -7.519 0.980 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.557 -8.631 1.601 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.242 -7.530 0.813 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.778 -7.775 -0.444 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.356 -6.246 1.333 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -2.405 -6.772 -1.158 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.987 -5.238 0.625 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.508 -5.506 -0.621 1.00 1.23 C ATOM 1242 OH TYR A 95 -3.147 -4.513 -1.328 1.00 1.46 O ATOM 0 H TYR A 95 1.750 -10.217 2.242 1.00 0.53 H new ATOM 0 HA TYR A 95 -0.037 -9.816 -0.074 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.316 -9.317 1.977 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.068 -8.189 2.469 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -1.704 -8.765 -0.870 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -0.944 -6.031 2.308 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -2.814 -6.979 -2.136 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.070 -4.247 1.047 1.00 1.12 H new ATOM 0 HH TYR A 95 -3.134 -3.682 -0.809 1.00 1.46 H new ATOM 1252 N ILE A 96 2.398 -9.048 -0.584 1.00 0.56 N ATOM 1253 CA ILE A 96 3.635 -8.408 -1.005 1.00 0.55 C ATOM 1254 C ILE A 96 3.383 -6.975 -1.451 1.00 0.49 C ATOM 1255 O ILE A 96 4.196 -6.082 -1.206 1.00 0.45 O ATOM 1256 CB ILE A 96 4.298 -9.220 -2.130 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.886 -10.512 -1.574 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.368 -8.414 -2.839 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.892 -10.289 -0.464 1.00 0.83 C ATOM 0 H ILE A 96 2.169 -9.894 -1.106 1.00 0.56 H new ATOM 0 HA ILE A 96 4.313 -8.378 -0.152 1.00 0.55 H new ATOM 0 HB ILE A 96 3.529 -9.467 -2.862 1.00 0.64 H new ATOM 0 HG12 ILE A 96 4.077 -11.139 -1.200 1.00 0.87 H new ATOM 0 HG13 ILE A 96 5.366 -11.061 -2.384 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.816 -9.018 -3.628 1.00 0.59 H new ATOM 0 HG22 ILE A 96 4.921 -7.521 -3.275 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.138 -8.123 -2.124 1.00 0.59 H new ATOM 0 HD11 ILE A 96 6.269 -11.251 -0.116 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.721 -9.689 -0.839 1.00 0.83 H new ATOM 0 HD13 ILE A 96 5.411 -9.767 0.363 1.00 0.83 H new ATOM 1271 N LYS A 97 2.240 -6.768 -2.086 1.00 0.54 N ATOM 1272 CA LYS A 97 1.791 -5.435 -2.455 1.00 0.55 C ATOM 1273 C LYS A 97 1.769 -4.529 -1.218 1.00 0.50 C ATOM 1274 O LYS A 97 2.155 -3.363 -1.281 1.00 0.51 O ATOM 1275 CB LYS A 97 0.396 -5.530 -3.079 1.00 0.71 C ATOM 1276 CG LYS A 97 -0.116 -4.232 -3.682 1.00 1.28 C ATOM 1277 CD LYS A 97 -1.575 -4.357 -4.099 1.00 1.65 C ATOM 1278 CE LYS A 97 -1.768 -5.335 -5.246 1.00 1.73 C ATOM 1279 NZ LYS A 97 -1.937 -4.637 -6.550 1.00 1.59 N ATOM 0 H LYS A 97 1.601 -7.515 -2.359 1.00 0.54 H new ATOM 0 HA LYS A 97 2.478 -5.003 -3.182 1.00 0.55 H new ATOM 0 HB2 LYS A 97 0.411 -6.295 -3.855 1.00 0.71 H new ATOM 0 HB3 LYS A 97 -0.307 -5.863 -2.316 1.00 0.71 H new ATOM 0 HG2 LYS A 97 -0.010 -3.425 -2.958 1.00 1.28 H new ATOM 0 HG3 LYS A 97 0.491 -3.966 -4.547 1.00 1.28 H new ATOM 0 HD2 LYS A 97 -2.168 -4.682 -3.244 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -1.951 -3.377 -4.393 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -0.909 -6.004 -5.301 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -2.643 -5.955 -5.051 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -2.066 -5.340 -7.306 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -2.772 -4.018 -6.507 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -1.092 -4.065 -6.750 1.00 1.59 H new ATOM 1293 N GLY A 98 1.367 -5.105 -0.088 1.00 0.51 N ATOM 1294 CA GLY A 98 1.269 -4.362 1.155 1.00 0.52 C ATOM 1295 C GLY A 98 2.610 -4.181 1.829 1.00 0.43 C ATOM 1296 O GLY A 98 2.869 -3.138 2.423 1.00 0.48 O ATOM 0 H GLY A 98 1.104 -6.088 -0.013 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.831 -3.384 0.956 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.593 -4.882 1.833 1.00 0.52 H new ATOM 1300 N TYR A 99 3.464 -5.200 1.749 1.00 0.35 N ATOM 1301 CA TYR A 99 4.844 -5.071 2.215 1.00 0.29 C ATOM 1302 C TYR A 99 5.505 -3.891 1.509 1.00 0.31 C ATOM 1303 O TYR A 99 6.207 -3.088 2.120 1.00 0.32 O ATOM 1304 CB TYR A 99 5.649 -6.343 1.920 1.00 0.30 C ATOM 1305 CG TYR A 99 5.398 -7.509 2.858 1.00 0.38 C ATOM 1306 CD1 TYR A 99 4.284 -8.326 2.719 1.00 0.98 C ATOM 1307 CD2 TYR A 99 6.306 -7.814 3.865 1.00 0.64 C ATOM 1308 CE1 TYR A 99 4.082 -9.406 3.550 1.00 1.11 C ATOM 1309 CE2 TYR A 99 6.107 -8.892 4.707 1.00 0.71 C ATOM 1310 CZ TYR A 99 4.994 -9.684 4.545 1.00 0.72 C ATOM 1311 OH TYR A 99 4.797 -10.765 5.373 1.00 0.92 O ATOM 0 H TYR A 99 3.228 -6.117 1.369 1.00 0.35 H new ATOM 0 HA TYR A 99 4.828 -4.912 3.293 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.427 -6.664 0.902 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.710 -6.096 1.952 1.00 0.30 H new ATOM 0 HD1 TYR A 99 3.562 -8.111 1.945 1.00 0.98 H new ATOM 0 HD2 TYR A 99 7.183 -7.197 3.992 1.00 0.64 H new ATOM 0 HE1 TYR A 99 3.212 -10.033 3.422 1.00 1.11 H new ATOM 0 HE2 TYR A 99 6.821 -9.111 5.487 1.00 0.71 H new ATOM 0 HH TYR A 99 4.125 -11.360 4.980 1.00 0.92 H new ATOM 1321 N TYR A 100 5.242 -3.801 0.211 1.00 0.34 N ATOM 1322 CA TYR A 100 5.742 -2.723 -0.632 1.00 0.37 C ATOM 1323 C TYR A 100 5.168 -1.374 -0.175 1.00 0.39 C ATOM 1324 O TYR A 100 5.860 -0.357 -0.195 1.00 0.42 O ATOM 1325 CB TYR A 100 5.365 -3.049 -2.086 1.00 0.42 C ATOM 1326 CG TYR A 100 5.843 -2.077 -3.146 1.00 0.43 C ATOM 1327 CD1 TYR A 100 5.137 -0.913 -3.397 1.00 0.51 C ATOM 1328 CD2 TYR A 100 6.962 -2.352 -3.936 1.00 0.46 C ATOM 1329 CE1 TYR A 100 5.526 -0.043 -4.388 1.00 0.60 C ATOM 1330 CE2 TYR A 100 7.350 -1.489 -4.940 1.00 0.55 C ATOM 1331 CZ TYR A 100 6.625 -0.336 -5.158 1.00 0.60 C ATOM 1332 OH TYR A 100 6.981 0.513 -6.166 1.00 0.73 O ATOM 0 H TYR A 100 4.670 -4.481 -0.290 1.00 0.34 H new ATOM 0 HA TYR A 100 6.826 -2.640 -0.553 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.759 -4.036 -2.327 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.279 -3.115 -2.150 1.00 0.42 H new ATOM 0 HD1 TYR A 100 4.264 -0.684 -2.803 1.00 0.51 H new ATOM 0 HD2 TYR A 100 7.531 -3.253 -3.758 1.00 0.46 H new ATOM 0 HE1 TYR A 100 4.970 0.867 -4.560 1.00 0.60 H new ATOM 0 HE2 TYR A 100 8.213 -1.714 -5.549 1.00 0.55 H new ATOM 0 HH TYR A 100 6.605 0.192 -7.012 1.00 0.73 H new ATOM 1342 N ARG A 101 3.906 -1.373 0.262 1.00 0.41 N ATOM 1343 CA ARG A 101 3.279 -0.158 0.793 1.00 0.46 C ATOM 1344 C ARG A 101 3.902 0.221 2.136 1.00 0.43 C ATOM 1345 O ARG A 101 4.149 1.395 2.412 1.00 0.46 O ATOM 1346 CB ARG A 101 1.766 -0.336 0.985 1.00 0.53 C ATOM 1347 CG ARG A 101 1.009 -0.807 -0.248 1.00 0.82 C ATOM 1348 CD ARG A 101 1.253 0.086 -1.453 1.00 1.06 C ATOM 1349 NE ARG A 101 0.399 -0.289 -2.579 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.840 -0.768 -3.743 1.00 1.58 C ATOM 1351 NH1 ARG A 101 2.133 -0.963 -3.946 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -0.016 -1.061 -4.707 1.00 1.89 N ATOM 0 H ARG A 101 3.301 -2.194 0.259 1.00 0.41 H new ATOM 0 HA ARG A 101 3.450 0.634 0.063 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.600 -1.052 1.790 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.343 0.614 1.311 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.310 -1.827 -0.488 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.058 -0.833 -0.028 1.00 0.82 H new ATOM 0 HD2 ARG A 101 1.064 1.125 -1.182 1.00 1.06 H new ATOM 0 HD3 ARG A 101 2.299 0.020 -1.751 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.608 -0.176 -2.466 1.00 1.18 H new ATOM 0 HH11 ARG A 101 2.803 -0.747 -3.208 1.00 2.34 H new ATOM 0 HH12 ARG A 101 2.459 -1.330 -4.840 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -1.016 -0.921 -4.561 1.00 1.89 H new ATOM 0 HH22 ARG A 101 0.323 -1.427 -5.596 1.00 1.89 H new ATOM 1366 N ARG A 102 4.144 -0.787 2.967 1.00 0.41 N ATOM 1367 CA ARG A 102 4.750 -0.589 4.279 1.00 0.43 C ATOM 1368 C ARG A 102 6.157 -0.034 4.121 1.00 0.37 C ATOM 1369 O ARG A 102 6.591 0.836 4.880 1.00 0.38 O ATOM 1370 CB ARG A 102 4.795 -1.914 5.038 1.00 0.52 C ATOM 1371 CG ARG A 102 5.193 -1.781 6.498 1.00 0.87 C ATOM 1372 CD ARG A 102 5.387 -3.144 7.133 1.00 1.12 C ATOM 1373 NE ARG A 102 5.575 -3.065 8.581 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.608 -3.601 9.224 1.00 2.58 C ATOM 1375 NH1 ARG A 102 7.609 -4.147 8.547 1.00 2.78 N ATOM 1376 NH2 ARG A 102 6.658 -3.570 10.549 1.00 3.57 N ATOM 0 H ARG A 102 3.927 -1.760 2.752 1.00 0.41 H new ATOM 0 HA ARG A 102 4.148 0.123 4.844 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.814 -2.386 4.982 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.499 -2.581 4.540 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.115 -1.204 6.577 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.425 -1.229 7.040 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.521 -3.769 6.916 1.00 1.12 H new ATOM 0 HD3 ARG A 102 6.252 -3.631 6.683 1.00 1.12 H new ATOM 0 HE ARG A 102 4.872 -2.570 9.130 1.00 1.87 H new ATOM 0 HH11 ARG A 102 7.589 -4.157 7.527 1.00 2.78 H new ATOM 0 HH12 ARG A 102 8.399 -4.557 9.046 1.00 2.78 H new ATOM 0 HH21 ARG A 102 5.903 -3.134 11.078 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.452 -3.982 11.039 1.00 3.57 H new ATOM 1390 N ALA A 103 6.856 -0.544 3.118 1.00 0.34 N ATOM 1391 CA ALA A 103 8.192 -0.078 2.798 1.00 0.32 C ATOM 1392 C ALA A 103 8.170 1.394 2.405 1.00 0.33 C ATOM 1393 O ALA A 103 9.027 2.162 2.825 1.00 0.35 O ATOM 1394 CB ALA A 103 8.786 -0.921 1.686 1.00 0.33 C ATOM 0 H ALA A 103 6.514 -1.287 2.508 1.00 0.34 H new ATOM 0 HA ALA A 103 8.818 -0.180 3.685 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.789 -0.563 1.454 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.838 -1.962 2.006 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.159 -0.846 0.798 1.00 0.33 H new ATOM 1400 N ALA A 104 7.177 1.782 1.610 1.00 0.33 N ATOM 1401 CA ALA A 104 7.021 3.172 1.201 1.00 0.35 C ATOM 1402 C ALA A 104 6.757 4.059 2.413 1.00 0.35 C ATOM 1403 O ALA A 104 7.256 5.179 2.494 1.00 0.38 O ATOM 1404 CB ALA A 104 5.894 3.303 0.186 1.00 0.39 C ATOM 0 H ALA A 104 6.468 1.151 1.236 1.00 0.33 H new ATOM 0 HA ALA A 104 7.948 3.501 0.731 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.790 4.347 -0.110 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.123 2.698 -0.692 1.00 0.39 H new ATOM 0 HB3 ALA A 104 4.961 2.957 0.631 1.00 0.39 H new ATOM 1410 N SER A 105 5.977 3.539 3.355 1.00 0.34 N ATOM 1411 CA SER A 105 5.704 4.229 4.611 1.00 0.36 C ATOM 1412 C SER A 105 7.005 4.482 5.372 1.00 0.34 C ATOM 1413 O SER A 105 7.294 5.611 5.772 1.00 0.33 O ATOM 1414 CB SER A 105 4.736 3.390 5.448 1.00 0.40 C ATOM 1415 OG SER A 105 3.488 3.258 4.789 1.00 0.64 O ATOM 0 H SER A 105 5.518 2.632 3.270 1.00 0.34 H new ATOM 0 HA SER A 105 5.246 5.196 4.403 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.164 2.404 5.628 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.591 3.857 6.422 1.00 0.40 H new ATOM 0 HG SER A 105 3.591 2.677 4.006 1.00 0.64 H new ATOM 1421 N ASN A 106 7.799 3.430 5.540 1.00 0.36 N ATOM 1422 CA ASN A 106 9.092 3.537 6.209 1.00 0.37 C ATOM 1423 C ASN A 106 10.036 4.452 5.433 1.00 0.36 C ATOM 1424 O ASN A 106 10.716 5.296 6.014 1.00 0.37 O ATOM 1425 CB ASN A 106 9.725 2.152 6.376 1.00 0.40 C ATOM 1426 CG ASN A 106 9.123 1.368 7.527 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.757 1.939 8.551 1.00 1.09 O ATOM 1428 ND2 ASN A 106 9.010 0.058 7.369 1.00 1.32 N ATOM 0 H ASN A 106 7.569 2.489 5.221 1.00 0.36 H new ATOM 0 HA ASN A 106 8.924 3.971 7.195 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.601 1.587 5.452 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.797 2.264 6.539 1.00 0.40 H new ATOM 0 HD21 ASN A 106 8.608 -0.513 8.113 1.00 1.32 H new ATOM 0 HD22 ASN A 106 9.325 -0.380 6.504 1.00 1.32 H new ATOM 1435 N MET A 107 10.054 4.281 4.118 1.00 0.38 N ATOM 1436 CA MET A 107 10.904 5.068 3.227 1.00 0.40 C ATOM 1437 C MET A 107 10.595 6.556 3.371 1.00 0.40 C ATOM 1438 O MET A 107 11.497 7.387 3.488 1.00 0.45 O ATOM 1439 CB MET A 107 10.664 4.619 1.781 1.00 0.46 C ATOM 1440 CG MET A 107 11.903 4.607 0.899 1.00 0.44 C ATOM 1441 SD MET A 107 12.471 6.247 0.426 1.00 1.26 S ATOM 1442 CE MET A 107 13.777 5.796 -0.715 1.00 0.70 C ATOM 0 H MET A 107 9.479 3.591 3.635 1.00 0.38 H new ATOM 0 HA MET A 107 11.949 4.909 3.493 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.235 3.617 1.794 1.00 0.46 H new ATOM 0 HB3 MET A 107 9.922 5.277 1.330 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.707 4.091 1.424 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.691 4.032 -0.002 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.184 6.696 -1.176 1.00 0.70 H new ATOM 0 HE2 MET A 107 14.568 5.275 -0.175 1.00 0.70 H new ATOM 0 HE3 MET A 107 13.374 5.142 -1.489 1.00 0.70 H new ATOM 1452 N ALA A 108 9.308 6.874 3.394 1.00 0.36 N ATOM 1453 CA ALA A 108 8.848 8.251 3.502 1.00 0.38 C ATOM 1454 C ALA A 108 9.118 8.823 4.892 1.00 0.39 C ATOM 1455 O ALA A 108 9.187 10.039 5.072 1.00 0.43 O ATOM 1456 CB ALA A 108 7.365 8.322 3.174 1.00 0.38 C ATOM 0 H ALA A 108 8.556 6.187 3.339 1.00 0.36 H new ATOM 0 HA ALA A 108 9.405 8.856 2.786 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.023 9.354 3.256 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.200 7.964 2.158 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.807 7.699 3.873 1.00 0.38 H new ATOM 1462 N LEU A 109 9.271 7.943 5.872 1.00 0.38 N ATOM 1463 CA LEU A 109 9.562 8.364 7.238 1.00 0.40 C ATOM 1464 C LEU A 109 11.066 8.498 7.469 1.00 0.43 C ATOM 1465 O LEU A 109 11.505 8.794 8.580 1.00 0.65 O ATOM 1466 CB LEU A 109 8.970 7.373 8.247 1.00 0.38 C ATOM 1467 CG LEU A 109 7.444 7.365 8.338 1.00 0.48 C ATOM 1468 CD1 LEU A 109 6.974 6.278 9.290 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.930 8.726 8.786 1.00 0.82 C ATOM 0 H LEU A 109 9.199 6.933 5.748 1.00 0.38 H new ATOM 0 HA LEU A 109 9.102 9.341 7.385 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.307 6.370 7.986 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.375 7.599 9.233 1.00 0.38 H new ATOM 0 HG LEU A 109 7.040 7.154 7.348 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.885 6.286 9.343 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.312 5.307 8.929 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.387 6.460 10.282 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.842 8.702 8.845 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.342 8.966 9.766 1.00 0.82 H new ATOM 0 HD23 LEU A 109 7.238 9.486 8.067 1.00 0.82 H new ATOM 1481 N GLY A 110 11.854 8.269 6.425 1.00 0.39 N ATOM 1482 CA GLY A 110 13.298 8.381 6.545 1.00 0.41 C ATOM 1483 C GLY A 110 13.935 7.095 7.035 1.00 0.39 C ATOM 1484 O GLY A 110 15.136 7.045 7.314 1.00 0.47 O ATOM 0 H GLY A 110 11.520 8.008 5.497 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.721 8.648 5.577 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.542 9.190 7.233 1.00 0.41 H new ATOM 1488 N LYS A 111 13.129 6.052 7.140 1.00 0.36 N ATOM 1489 CA LYS A 111 13.600 4.755 7.596 1.00 0.38 C ATOM 1490 C LYS A 111 13.979 3.898 6.397 1.00 0.30 C ATOM 1491 O LYS A 111 13.278 2.949 6.053 1.00 0.32 O ATOM 1492 CB LYS A 111 12.512 4.060 8.419 1.00 0.53 C ATOM 1493 CG LYS A 111 12.032 4.872 9.609 1.00 0.74 C ATOM 1494 CD LYS A 111 10.761 4.288 10.208 1.00 0.54 C ATOM 1495 CE LYS A 111 11.022 2.951 10.884 1.00 1.22 C ATOM 1496 NZ LYS A 111 11.894 3.096 12.077 1.00 1.73 N ATOM 0 H LYS A 111 12.135 6.080 6.913 1.00 0.36 H new ATOM 0 HA LYS A 111 14.478 4.894 8.227 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.662 3.844 7.772 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.894 3.103 8.774 1.00 0.53 H new ATOM 0 HG2 LYS A 111 12.813 4.902 10.369 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.850 5.901 9.299 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.345 4.988 10.933 1.00 0.54 H new ATOM 0 HD3 LYS A 111 10.014 4.160 9.424 1.00 0.54 H new ATOM 0 HE2 LYS A 111 10.074 2.502 11.180 1.00 1.22 H new ATOM 0 HE3 LYS A 111 11.489 2.270 10.173 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 11.845 2.230 12.650 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 12.876 3.255 11.772 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 11.573 3.906 12.645 1.00 1.73 H new ATOM 1510 N PHE A 112 15.079 4.259 5.750 1.00 0.30 N ATOM 1511 CA PHE A 112 15.504 3.595 4.523 1.00 0.29 C ATOM 1512 C PHE A 112 15.905 2.142 4.767 1.00 0.30 C ATOM 1513 O PHE A 112 15.633 1.278 3.941 1.00 0.34 O ATOM 1514 CB PHE A 112 16.652 4.370 3.875 1.00 0.35 C ATOM 1515 CG PHE A 112 16.302 5.805 3.610 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.450 6.145 2.576 1.00 0.41 C ATOM 1517 CD2 PHE A 112 16.818 6.811 4.405 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.118 7.464 2.341 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.488 8.132 4.178 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.639 8.459 3.142 1.00 0.53 C ATOM 0 H PHE A 112 15.696 5.011 6.055 1.00 0.30 H new ATOM 0 HA PHE A 112 14.653 3.583 3.842 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.527 4.327 4.524 1.00 0.35 H new ATOM 0 HB3 PHE A 112 16.927 3.888 2.937 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.040 5.370 1.945 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.488 6.560 5.214 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.451 7.717 1.530 1.00 0.48 H new ATOM 0 HE2 PHE A 112 16.894 8.908 4.810 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.382 9.492 2.958 1.00 0.53 H new ATOM 1530 N ARG A 113 16.542 1.866 5.901 1.00 0.34 N ATOM 1531 CA ARG A 113 16.903 0.491 6.239 1.00 0.38 C ATOM 1532 C ARG A 113 15.663 -0.308 6.609 1.00 0.34 C ATOM 1533 O ARG A 113 15.559 -1.490 6.290 1.00 0.34 O ATOM 1534 CB ARG A 113 17.906 0.444 7.389 1.00 0.49 C ATOM 1535 CG ARG A 113 19.317 0.041 6.974 1.00 1.21 C ATOM 1536 CD ARG A 113 19.326 -1.256 6.171 1.00 1.58 C ATOM 1537 NE ARG A 113 18.584 -2.335 6.828 1.00 2.42 N ATOM 1538 CZ ARG A 113 18.533 -3.589 6.374 1.00 3.14 C ATOM 1539 NH1 ARG A 113 19.311 -3.971 5.368 1.00 3.25 N ATOM 1540 NH2 ARG A 113 17.739 -4.471 6.964 1.00 4.15 N ATOM 0 H ARG A 113 16.816 2.564 6.593 1.00 0.34 H new ATOM 0 HA ARG A 113 17.369 0.048 5.359 1.00 0.38 H new ATOM 0 HB2 ARG A 113 17.945 1.425 7.862 1.00 0.49 H new ATOM 0 HB3 ARG A 113 17.546 -0.258 8.141 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.762 0.839 6.380 1.00 1.21 H new ATOM 0 HG3 ARG A 113 19.937 -0.078 7.863 1.00 1.21 H new ATOM 0 HD2 ARG A 113 18.895 -1.072 5.187 1.00 1.58 H new ATOM 0 HD3 ARG A 113 20.357 -1.573 6.013 1.00 1.58 H new ATOM 0 HE ARG A 113 18.076 -2.114 7.684 1.00 2.42 H new ATOM 0 HH11 ARG A 113 19.952 -3.305 4.938 1.00 3.25 H new ATOM 0 HH12 ARG A 113 19.267 -4.931 5.026 1.00 3.25 H new ATOM 0 HH21 ARG A 113 17.169 -4.191 7.762 1.00 4.15 H new ATOM 0 HH22 ARG A 113 17.697 -5.430 6.620 1.00 4.15 H new ATOM 1554 N ALA A 114 14.726 0.341 7.290 1.00 0.34 N ATOM 1555 CA ALA A 114 13.449 -0.281 7.598 1.00 0.34 C ATOM 1556 C ALA A 114 12.718 -0.617 6.306 1.00 0.28 C ATOM 1557 O ALA A 114 12.299 -1.758 6.086 1.00 0.30 O ATOM 1558 CB ALA A 114 12.609 0.627 8.478 1.00 0.40 C ATOM 0 H ALA A 114 14.828 1.295 7.637 1.00 0.34 H new ATOM 0 HA ALA A 114 13.627 -1.204 8.150 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.657 0.143 8.697 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.139 0.823 9.410 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.426 1.568 7.960 1.00 0.40 H new ATOM 1564 N ALA A 115 12.614 0.380 5.436 1.00 0.26 N ATOM 1565 CA ALA A 115 12.009 0.204 4.126 1.00 0.23 C ATOM 1566 C ALA A 115 12.726 -0.887 3.352 1.00 0.23 C ATOM 1567 O ALA A 115 12.113 -1.614 2.571 1.00 0.25 O ATOM 1568 CB ALA A 115 12.050 1.507 3.345 1.00 0.23 C ATOM 0 H ALA A 115 12.945 1.327 5.619 1.00 0.26 H new ATOM 0 HA ALA A 115 10.969 -0.091 4.265 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.593 1.359 2.366 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.501 2.275 3.889 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.086 1.823 3.218 1.00 0.23 H new ATOM 1574 N LEU A 116 14.028 -1.004 3.589 1.00 0.24 N ATOM 1575 CA LEU A 116 14.832 -1.988 2.898 1.00 0.28 C ATOM 1576 C LEU A 116 14.395 -3.399 3.260 1.00 0.29 C ATOM 1577 O LEU A 116 14.336 -4.252 2.395 1.00 0.30 O ATOM 1578 CB LEU A 116 16.320 -1.824 3.202 1.00 0.32 C ATOM 1579 CG LEU A 116 17.223 -2.593 2.238 1.00 0.40 C ATOM 1580 CD1 LEU A 116 16.976 -2.130 0.814 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.684 -2.428 2.602 1.00 0.49 C ATOM 0 H LEU A 116 14.543 -0.427 4.255 1.00 0.24 H new ATOM 0 HA LEU A 116 14.679 -1.825 1.831 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.577 -0.765 3.163 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.515 -2.162 4.220 1.00 0.32 H new ATOM 0 HG LEU A 116 16.979 -3.653 2.316 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.624 -2.683 0.134 1.00 0.47 H new ATOM 0 HD12 LEU A 116 15.934 -2.309 0.549 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.193 -1.065 0.735 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.300 -2.987 1.897 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.952 -1.372 2.560 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.853 -2.806 3.610 1.00 0.49 H new ATOM 1593 N ARG A 117 14.074 -3.636 4.531 1.00 0.34 N ATOM 1594 CA ARG A 117 13.658 -4.970 4.969 1.00 0.40 C ATOM 1595 C ARG A 117 12.371 -5.348 4.263 1.00 0.34 C ATOM 1596 O ARG A 117 12.198 -6.475 3.785 1.00 0.35 O ATOM 1597 CB ARG A 117 13.379 -5.010 6.469 1.00 0.57 C ATOM 1598 CG ARG A 117 14.328 -4.201 7.324 1.00 0.70 C ATOM 1599 CD ARG A 117 13.643 -3.822 8.625 1.00 1.01 C ATOM 1600 NE ARG A 117 12.325 -3.236 8.368 1.00 1.90 N ATOM 1601 CZ ARG A 117 11.368 -3.084 9.279 1.00 2.55 C ATOM 1602 NH1 ARG A 117 11.558 -3.476 10.534 1.00 2.45 N ATOM 1603 NH2 ARG A 117 10.198 -2.567 8.921 1.00 3.56 N ATOM 0 H ARG A 117 14.093 -2.932 5.269 1.00 0.34 H new ATOM 0 HA ARG A 117 14.469 -5.659 4.733 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.364 -4.652 6.643 1.00 0.57 H new ATOM 0 HB3 ARG A 117 13.412 -6.048 6.801 1.00 0.57 H new ATOM 0 HG2 ARG A 117 15.229 -4.778 7.530 1.00 0.70 H new ATOM 0 HG3 ARG A 117 14.639 -3.303 6.790 1.00 0.70 H new ATOM 0 HD2 ARG A 117 13.537 -4.705 9.256 1.00 1.01 H new ATOM 0 HD3 ARG A 117 14.261 -3.111 9.173 1.00 1.01 H new ATOM 0 HE ARG A 117 12.126 -2.921 7.419 1.00 1.90 H new ATOM 0 HH11 ARG A 117 12.445 -3.899 10.808 1.00 2.45 H new ATOM 0 HH12 ARG A 117 10.817 -3.354 11.224 1.00 2.45 H new ATOM 0 HH21 ARG A 117 10.038 -2.289 7.953 1.00 3.56 H new ATOM 0 HH22 ARG A 117 9.460 -2.448 9.614 1.00 3.56 H new ATOM 1617 N ASP A 118 11.471 -4.379 4.206 1.00 0.33 N ATOM 1618 CA ASP A 118 10.159 -4.585 3.630 1.00 0.33 C ATOM 1619 C ASP A 118 10.273 -4.799 2.122 1.00 0.28 C ATOM 1620 O ASP A 118 9.759 -5.782 1.592 1.00 0.31 O ATOM 1621 CB ASP A 118 9.247 -3.400 3.955 1.00 0.40 C ATOM 1622 CG ASP A 118 8.937 -3.286 5.442 1.00 0.63 C ATOM 1623 OD1 ASP A 118 8.063 -4.034 5.928 1.00 0.77 O ATOM 1624 OD2 ASP A 118 9.564 -2.448 6.132 1.00 1.06 O ATOM 0 H ASP A 118 11.631 -3.435 4.556 1.00 0.33 H new ATOM 0 HA ASP A 118 9.715 -5.481 4.065 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.720 -2.479 3.615 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.314 -3.502 3.401 1.00 0.40 H new ATOM 1629 N TYR A 119 10.984 -3.896 1.445 1.00 0.24 N ATOM 1630 CA TYR A 119 11.233 -4.029 0.010 1.00 0.26 C ATOM 1631 C TYR A 119 12.019 -5.299 -0.295 1.00 0.28 C ATOM 1632 O TYR A 119 11.784 -5.957 -1.308 1.00 0.33 O ATOM 1633 CB TYR A 119 12.002 -2.821 -0.529 1.00 0.28 C ATOM 1634 CG TYR A 119 11.134 -1.625 -0.854 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.001 -1.765 -1.644 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.445 -0.361 -0.370 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.201 -0.680 -1.944 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.649 0.730 -0.666 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.529 0.566 -1.453 1.00 0.50 C ATOM 1640 OH TYR A 119 8.731 1.648 -1.748 1.00 0.60 O ATOM 0 H TYR A 119 11.397 -3.065 1.868 1.00 0.24 H new ATOM 0 HA TYR A 119 10.262 -4.083 -0.481 1.00 0.26 H new ATOM 0 HB2 TYR A 119 12.750 -2.523 0.206 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.540 -3.120 -1.428 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.741 -2.739 -2.031 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.322 -0.228 0.247 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.323 -0.807 -2.560 1.00 0.46 H new ATOM 0 HE2 TYR A 119 10.904 1.707 -0.282 1.00 0.47 H new ATOM 0 HH TYR A 119 9.100 2.451 -1.325 1.00 0.60 H new ATOM 1650 N GLU A 120 12.953 -5.628 0.585 1.00 0.28 N ATOM 1651 CA GLU A 120 13.768 -6.823 0.438 1.00 0.34 C ATOM 1652 C GLU A 120 12.879 -8.043 0.371 1.00 0.37 C ATOM 1653 O GLU A 120 13.001 -8.862 -0.528 1.00 0.43 O ATOM 1654 CB GLU A 120 14.721 -6.965 1.618 1.00 0.36 C ATOM 1655 CG GLU A 120 15.924 -7.838 1.334 1.00 0.42 C ATOM 1656 CD GLU A 120 16.741 -8.111 2.577 1.00 0.48 C ATOM 1657 OE1 GLU A 120 16.239 -8.818 3.480 1.00 0.61 O ATOM 1658 OE2 GLU A 120 17.887 -7.630 2.657 1.00 0.58 O ATOM 0 H GLU A 120 13.166 -5.077 1.417 1.00 0.28 H new ATOM 0 HA GLU A 120 14.347 -6.736 -0.482 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.065 -5.974 1.915 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.175 -7.380 2.465 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.591 -8.783 0.906 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.553 -7.354 0.587 1.00 0.42 H new ATOM 1665 N THR A 121 11.971 -8.143 1.325 1.00 0.36 N ATOM 1666 CA THR A 121 11.049 -9.260 1.381 1.00 0.40 C ATOM 1667 C THR A 121 10.187 -9.301 0.118 1.00 0.40 C ATOM 1668 O THR A 121 9.923 -10.370 -0.433 1.00 0.45 O ATOM 1669 CB THR A 121 10.154 -9.171 2.625 1.00 0.41 C ATOM 1670 OG1 THR A 121 10.966 -8.973 3.794 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.328 -10.439 2.782 1.00 0.47 C ATOM 0 H THR A 121 11.853 -7.461 2.074 1.00 0.36 H new ATOM 0 HA THR A 121 11.633 -10.178 1.443 1.00 0.40 H new ATOM 0 HB THR A 121 9.476 -8.326 2.506 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.280 -8.045 3.821 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.700 -10.357 3.669 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.698 -10.574 1.903 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.993 -11.296 2.887 1.00 0.47 H new ATOM 1679 N VAL A 122 9.777 -8.123 -0.345 1.00 0.37 N ATOM 1680 CA VAL A 122 9.026 -7.994 -1.591 1.00 0.39 C ATOM 1681 C VAL A 122 9.799 -8.610 -2.754 1.00 0.44 C ATOM 1682 O VAL A 122 9.273 -9.442 -3.498 1.00 0.50 O ATOM 1683 CB VAL A 122 8.732 -6.507 -1.910 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.050 -6.356 -3.255 1.00 0.43 C ATOM 1685 CG2 VAL A 122 7.880 -5.887 -0.818 1.00 0.36 C ATOM 0 H VAL A 122 9.954 -7.237 0.129 1.00 0.37 H new ATOM 0 HA VAL A 122 8.083 -8.525 -1.461 1.00 0.39 H new ATOM 0 HB VAL A 122 9.686 -5.982 -1.954 1.00 0.38 H new ATOM 0 HG11 VAL A 122 7.857 -5.301 -3.449 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.695 -6.757 -4.037 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.106 -6.902 -3.248 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.683 -4.842 -1.059 1.00 0.36 H new ATOM 0 HG22 VAL A 122 6.936 -6.426 -0.743 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.408 -5.947 0.134 1.00 0.36 H new ATOM 1695 N VAL A 123 11.059 -8.218 -2.881 1.00 0.44 N ATOM 1696 CA VAL A 123 11.886 -8.633 -4.007 1.00 0.51 C ATOM 1697 C VAL A 123 12.396 -10.069 -3.831 1.00 0.57 C ATOM 1698 O VAL A 123 12.872 -10.690 -4.779 1.00 0.67 O ATOM 1699 CB VAL A 123 13.071 -7.658 -4.203 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.215 -7.957 -3.245 1.00 0.48 C ATOM 1701 CG2 VAL A 123 13.544 -7.664 -5.647 1.00 0.59 C ATOM 0 H VAL A 123 11.534 -7.609 -2.214 1.00 0.44 H new ATOM 0 HA VAL A 123 11.262 -8.608 -4.901 1.00 0.51 H new ATOM 0 HB VAL A 123 12.713 -6.656 -3.969 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.027 -7.250 -3.416 1.00 0.48 H new ATOM 0 HG12 VAL A 123 13.863 -7.864 -2.218 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.576 -8.971 -3.415 1.00 0.48 H new ATOM 0 HG21 VAL A 123 14.378 -6.971 -5.760 1.00 0.59 H new ATOM 0 HG22 VAL A 123 13.868 -8.668 -5.920 1.00 0.59 H new ATOM 0 HG23 VAL A 123 12.726 -7.357 -6.299 1.00 0.59 H new ATOM 1711 N LYS A 124 12.292 -10.590 -2.615 1.00 0.55 N ATOM 1712 CA LYS A 124 12.689 -11.965 -2.345 1.00 0.61 C ATOM 1713 C LYS A 124 11.556 -12.925 -2.676 1.00 0.63 C ATOM 1714 O LYS A 124 11.782 -14.115 -2.903 1.00 0.72 O ATOM 1715 CB LYS A 124 13.141 -12.131 -0.891 1.00 0.62 C ATOM 1716 CG LYS A 124 14.469 -11.443 -0.608 1.00 0.67 C ATOM 1717 CD LYS A 124 14.974 -11.691 0.806 1.00 0.75 C ATOM 1718 CE LYS A 124 14.043 -11.114 1.858 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.663 -11.121 3.211 1.00 1.07 N ATOM 0 H LYS A 124 11.938 -10.083 -1.804 1.00 0.55 H new ATOM 0 HA LYS A 124 13.537 -12.205 -2.986 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.377 -11.724 -0.228 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.230 -13.193 -0.661 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.214 -11.795 -1.322 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.358 -10.370 -0.766 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.082 -12.763 0.968 1.00 0.75 H new ATOM 0 HD3 LYS A 124 15.964 -11.250 0.919 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.776 -10.093 1.586 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.118 -11.690 1.879 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.929 -11.288 3.928 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 15.376 -11.877 3.262 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.118 -10.203 3.389 1.00 1.07 H new ATOM 1733 N VAL A 125 10.338 -12.404 -2.712 1.00 0.59 N ATOM 1734 CA VAL A 125 9.185 -13.204 -3.104 1.00 0.63 C ATOM 1735 C VAL A 125 8.985 -13.148 -4.614 1.00 0.69 C ATOM 1736 O VAL A 125 8.819 -14.183 -5.262 1.00 0.75 O ATOM 1737 CB VAL A 125 7.903 -12.751 -2.376 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.686 -13.519 -2.878 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.066 -12.937 -0.876 1.00 0.59 C ATOM 0 H VAL A 125 10.122 -11.435 -2.476 1.00 0.59 H new ATOM 0 HA VAL A 125 9.386 -14.235 -2.811 1.00 0.63 H new ATOM 0 HB VAL A 125 7.742 -11.694 -2.589 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.797 -13.179 -2.347 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.560 -13.343 -3.946 1.00 0.66 H new ATOM 0 HG13 VAL A 125 6.829 -14.585 -2.700 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.157 -12.615 -0.368 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.250 -13.989 -0.658 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.908 -12.341 -0.525 1.00 0.59 H new ATOM 1749 N LYS A 126 9.016 -11.944 -5.181 1.00 0.68 N ATOM 1750 CA LYS A 126 8.957 -11.798 -6.629 1.00 0.76 C ATOM 1751 C LYS A 126 10.183 -11.050 -7.162 1.00 0.75 C ATOM 1752 O LYS A 126 10.154 -9.839 -7.375 1.00 0.73 O ATOM 1753 CB LYS A 126 7.639 -11.146 -7.099 1.00 0.80 C ATOM 1754 CG LYS A 126 6.978 -10.190 -6.109 1.00 0.73 C ATOM 1755 CD LYS A 126 7.568 -8.793 -6.196 1.00 0.71 C ATOM 1756 CE LYS A 126 6.555 -7.708 -5.844 1.00 0.73 C ATOM 1757 NZ LYS A 126 5.497 -7.538 -6.877 1.00 1.12 N ATOM 0 H LYS A 126 9.081 -11.066 -4.665 1.00 0.68 H new ATOM 0 HA LYS A 126 8.973 -12.802 -7.052 1.00 0.76 H new ATOM 0 HB2 LYS A 126 7.834 -10.603 -8.024 1.00 0.80 H new ATOM 0 HB3 LYS A 126 6.930 -11.938 -7.338 1.00 0.80 H new ATOM 0 HG2 LYS A 126 5.907 -10.145 -6.306 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.100 -10.574 -5.096 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.422 -8.720 -5.523 1.00 0.71 H new ATOM 0 HD3 LYS A 126 7.942 -8.622 -7.205 1.00 0.71 H new ATOM 0 HE2 LYS A 126 6.087 -7.952 -4.890 1.00 0.73 H new ATOM 0 HE3 LYS A 126 7.078 -6.761 -5.709 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.411 -6.531 -7.124 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 5.750 -8.082 -7.726 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 4.589 -7.881 -6.504 1.00 1.12 H new ATOM 1771 N PRO A 127 11.293 -11.782 -7.359 1.00 0.80 N ATOM 1772 CA PRO A 127 12.550 -11.216 -7.864 1.00 0.83 C ATOM 1773 C PRO A 127 12.512 -10.898 -9.358 1.00 0.92 C ATOM 1774 O PRO A 127 13.362 -10.168 -9.867 1.00 0.96 O ATOM 1775 CB PRO A 127 13.564 -12.323 -7.589 1.00 0.87 C ATOM 1776 CG PRO A 127 12.765 -13.577 -7.629 1.00 0.97 C ATOM 1777 CD PRO A 127 11.419 -13.222 -7.068 1.00 0.86 C ATOM 0 HA PRO A 127 12.779 -10.264 -7.385 1.00 0.83 H new ATOM 0 HB2 PRO A 127 14.355 -12.332 -8.339 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.045 -12.189 -6.620 1.00 0.87 H new ATOM 0 HG2 PRO A 127 12.677 -13.952 -8.649 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.239 -14.362 -7.040 1.00 0.97 H new ATOM 0 HD2 PRO A 127 10.623 -13.798 -7.540 1.00 0.86 H new ATOM 0 HD3 PRO A 127 11.365 -13.421 -5.998 1.00 0.86 H new ATOM 1785 N HIS A 128 11.533 -11.453 -10.064 1.00 0.99 N ATOM 1786 CA HIS A 128 11.376 -11.174 -11.488 1.00 1.12 C ATOM 1787 C HIS A 128 10.513 -9.941 -11.682 1.00 1.04 C ATOM 1788 O HIS A 128 10.246 -9.514 -12.809 1.00 1.11 O ATOM 1789 CB HIS A 128 10.762 -12.366 -12.226 1.00 1.33 C ATOM 1790 CG HIS A 128 11.669 -13.555 -12.312 1.00 2.00 C ATOM 1791 ND1 HIS A 128 12.605 -13.715 -13.311 1.00 2.75 N ATOM 1792 CD2 HIS A 128 11.781 -14.646 -11.520 1.00 2.49 C ATOM 1793 CE1 HIS A 128 13.247 -14.852 -13.130 1.00 3.56 C ATOM 1794 NE2 HIS A 128 12.770 -15.438 -12.050 1.00 3.37 N ATOM 0 H HIS A 128 10.840 -12.094 -9.678 1.00 0.99 H new ATOM 0 HA HIS A 128 12.366 -10.993 -11.908 1.00 1.12 H new ATOM 0 HB2 HIS A 128 9.841 -12.659 -11.722 1.00 1.33 H new ATOM 0 HB3 HIS A 128 10.488 -12.056 -13.234 1.00 1.33 H new ATOM 0 HD2 HIS A 128 11.200 -14.856 -10.634 1.00 2.49 H new ATOM 0 HE1 HIS A 128 14.033 -15.239 -13.762 1.00 3.56 H new ATOM 0 HE2 HIS A 128 13.083 -16.332 -11.671 1.00 3.37 H new ATOM 1803 N ASP A 129 10.089 -9.368 -10.570 1.00 0.92 N ATOM 1804 CA ASP A 129 9.258 -8.181 -10.584 1.00 0.89 C ATOM 1805 C ASP A 129 10.132 -6.934 -10.526 1.00 0.83 C ATOM 1806 O ASP A 129 10.776 -6.657 -9.513 1.00 0.80 O ATOM 1807 CB ASP A 129 8.295 -8.216 -9.404 1.00 0.89 C ATOM 1808 CG ASP A 129 7.269 -7.107 -9.442 1.00 0.89 C ATOM 1809 OD1 ASP A 129 7.649 -5.936 -9.312 1.00 1.11 O ATOM 1810 OD2 ASP A 129 6.066 -7.415 -9.555 1.00 1.09 O ATOM 0 H ASP A 129 10.311 -9.712 -9.636 1.00 0.92 H new ATOM 0 HA ASP A 129 8.680 -8.154 -11.508 1.00 0.89 H new ATOM 0 HB2 ASP A 129 7.782 -9.177 -9.390 1.00 0.89 H new ATOM 0 HB3 ASP A 129 8.864 -8.145 -8.477 1.00 0.89 H new ATOM 1815 N LYS A 130 10.168 -6.203 -11.632 1.00 0.85 N ATOM 1816 CA LYS A 130 10.999 -5.010 -11.751 1.00 0.89 C ATOM 1817 C LYS A 130 10.541 -3.895 -10.821 1.00 0.84 C ATOM 1818 O LYS A 130 11.336 -3.039 -10.450 1.00 0.84 O ATOM 1819 CB LYS A 130 11.004 -4.498 -13.191 1.00 1.04 C ATOM 1820 CG LYS A 130 9.615 -4.294 -13.776 1.00 1.18 C ATOM 1821 CD LYS A 130 9.666 -3.527 -15.088 1.00 1.44 C ATOM 1822 CE LYS A 130 10.645 -4.152 -16.070 1.00 2.28 C ATOM 1823 NZ LYS A 130 10.647 -3.456 -17.382 1.00 3.05 N ATOM 0 H LYS A 130 9.625 -6.418 -12.469 1.00 0.85 H new ATOM 0 HA LYS A 130 12.009 -5.301 -11.460 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.546 -3.553 -13.229 1.00 1.04 H new ATOM 0 HB3 LYS A 130 11.551 -5.204 -13.816 1.00 1.04 H new ATOM 0 HG2 LYS A 130 9.142 -5.263 -13.939 1.00 1.18 H new ATOM 0 HG3 LYS A 130 8.995 -3.753 -13.062 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.671 -3.501 -15.533 1.00 1.44 H new ATOM 0 HD3 LYS A 130 9.955 -2.494 -14.894 1.00 1.44 H new ATOM 0 HE2 LYS A 130 11.649 -4.126 -15.646 1.00 2.28 H new ATOM 0 HE3 LYS A 130 10.388 -5.201 -16.218 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 11.329 -3.917 -18.018 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 9.696 -3.502 -17.801 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 10.917 -2.461 -17.247 1.00 3.05 H new ATOM 1837 N ASP A 131 9.267 -3.902 -10.453 1.00 0.86 N ATOM 1838 CA ASP A 131 8.733 -2.895 -9.541 1.00 0.90 C ATOM 1839 C ASP A 131 9.281 -3.127 -8.142 1.00 0.77 C ATOM 1840 O ASP A 131 9.732 -2.191 -7.472 1.00 0.80 O ATOM 1841 CB ASP A 131 7.202 -2.930 -9.538 1.00 1.05 C ATOM 1842 CG ASP A 131 6.594 -2.107 -8.418 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.699 -0.859 -8.458 1.00 1.60 O ATOM 1844 OD2 ASP A 131 5.989 -2.705 -7.505 1.00 1.82 O ATOM 0 H ASP A 131 8.585 -4.591 -10.770 1.00 0.86 H new ATOM 0 HA ASP A 131 9.045 -1.907 -9.880 1.00 0.90 H new ATOM 0 HB2 ASP A 131 6.833 -2.560 -10.495 1.00 1.05 H new ATOM 0 HB3 ASP A 131 6.868 -3.963 -9.445 1.00 1.05 H new ATOM 1849 N ALA A 132 9.257 -4.386 -7.721 1.00 0.69 N ATOM 1850 CA ALA A 132 9.872 -4.796 -6.475 1.00 0.62 C ATOM 1851 C ALA A 132 11.345 -4.449 -6.482 1.00 0.59 C ATOM 1852 O ALA A 132 11.840 -3.778 -5.577 1.00 0.56 O ATOM 1853 CB ALA A 132 9.703 -6.288 -6.273 1.00 0.65 C ATOM 0 H ALA A 132 8.811 -5.145 -8.235 1.00 0.69 H new ATOM 0 HA ALA A 132 9.383 -4.267 -5.657 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.170 -6.583 -5.333 1.00 0.65 H new ATOM 0 HB2 ALA A 132 8.641 -6.533 -6.244 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.176 -6.823 -7.097 1.00 0.65 H new ATOM 1859 N LYS A 133 12.038 -4.913 -7.520 1.00 0.63 N ATOM 1860 CA LYS A 133 13.460 -4.640 -7.665 1.00 0.66 C ATOM 1861 C LYS A 133 13.724 -3.146 -7.617 1.00 0.65 C ATOM 1862 O LYS A 133 14.370 -2.675 -6.696 1.00 0.63 O ATOM 1863 CB LYS A 133 14.022 -5.219 -8.966 1.00 0.74 C ATOM 1864 CG LYS A 133 13.855 -6.722 -9.082 1.00 0.75 C ATOM 1865 CD LYS A 133 14.743 -7.319 -10.163 1.00 0.95 C ATOM 1866 CE LYS A 133 14.393 -6.791 -11.544 1.00 1.21 C ATOM 1867 NZ LYS A 133 15.164 -7.483 -12.610 1.00 1.93 N ATOM 0 H LYS A 133 11.637 -5.477 -8.269 1.00 0.63 H new ATOM 0 HA LYS A 133 13.966 -5.126 -6.831 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.527 -4.740 -9.811 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.082 -4.973 -9.036 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.090 -7.187 -8.124 1.00 0.75 H new ATOM 0 HG3 LYS A 133 12.813 -6.954 -9.302 1.00 0.75 H new ATOM 0 HD2 LYS A 133 15.786 -7.092 -9.942 1.00 0.95 H new ATOM 0 HD3 LYS A 133 14.645 -8.405 -10.154 1.00 0.95 H new ATOM 0 HE2 LYS A 133 13.326 -6.922 -11.724 1.00 1.21 H new ATOM 0 HE3 LYS A 133 14.594 -5.721 -11.586 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 14.898 -7.096 -13.538 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 16.182 -7.337 -12.453 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 14.952 -8.501 -12.586 1.00 1.93 H new ATOM 1881 N MET A 134 13.182 -2.415 -8.586 1.00 0.68 N ATOM 1882 CA MET A 134 13.434 -0.979 -8.733 1.00 0.72 C ATOM 1883 C MET A 134 13.472 -0.260 -7.396 1.00 0.65 C ATOM 1884 O MET A 134 14.461 0.384 -7.049 1.00 0.68 O ATOM 1885 CB MET A 134 12.347 -0.338 -9.586 1.00 0.78 C ATOM 1886 CG MET A 134 12.537 1.157 -9.773 1.00 0.84 C ATOM 1887 SD MET A 134 11.267 1.887 -10.825 1.00 0.97 S ATOM 1888 CE MET A 134 11.533 0.989 -12.354 1.00 1.61 C ATOM 0 H MET A 134 12.555 -2.798 -9.293 1.00 0.68 H new ATOM 0 HA MET A 134 14.409 -0.882 -9.210 1.00 0.72 H new ATOM 0 HB2 MET A 134 12.329 -0.820 -10.563 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.377 -0.519 -9.123 1.00 0.78 H new ATOM 0 HG2 MET A 134 12.523 1.647 -8.799 1.00 0.84 H new ATOM 0 HG3 MET A 134 13.518 1.344 -10.210 1.00 0.84 H new ATOM 0 HE1 MET A 134 11.142 1.570 -13.190 1.00 1.61 H new ATOM 0 HE2 MET A 134 12.601 0.821 -12.497 1.00 1.61 H new ATOM 0 HE3 MET A 134 11.018 0.029 -12.307 1.00 1.61 H new ATOM 1898 N LYS A 135 12.395 -0.398 -6.649 1.00 0.59 N ATOM 1899 CA LYS A 135 12.222 0.324 -5.403 1.00 0.54 C ATOM 1900 C LYS A 135 13.086 -0.283 -4.296 1.00 0.48 C ATOM 1901 O LYS A 135 13.502 0.415 -3.375 1.00 0.46 O ATOM 1902 CB LYS A 135 10.735 0.331 -5.034 1.00 0.54 C ATOM 1903 CG LYS A 135 9.920 1.430 -5.726 1.00 0.65 C ATOM 1904 CD LYS A 135 10.225 1.496 -7.219 1.00 0.76 C ATOM 1905 CE LYS A 135 8.984 1.384 -8.097 1.00 1.05 C ATOM 1906 NZ LYS A 135 7.966 2.424 -7.798 1.00 1.94 N ATOM 0 H LYS A 135 11.616 -1.012 -6.887 1.00 0.59 H new ATOM 0 HA LYS A 135 12.554 1.355 -5.525 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.305 -0.638 -5.287 1.00 0.54 H new ATOM 0 HB3 LYS A 135 10.641 0.450 -3.955 1.00 0.54 H new ATOM 0 HG2 LYS A 135 8.856 1.243 -5.579 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.141 2.393 -5.266 1.00 0.65 H new ATOM 0 HD2 LYS A 135 10.732 2.436 -7.437 1.00 0.76 H new ATOM 0 HD3 LYS A 135 10.917 0.694 -7.477 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.278 1.461 -9.144 1.00 1.05 H new ATOM 0 HE3 LYS A 135 8.539 0.398 -7.963 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 7.442 2.657 -8.666 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 7.304 2.066 -7.080 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 8.438 3.278 -7.439 1.00 1.94 H new ATOM 1920 N TYR A 136 13.373 -1.578 -4.404 1.00 0.48 N ATOM 1921 CA TYR A 136 14.306 -2.240 -3.496 1.00 0.46 C ATOM 1922 C TYR A 136 15.713 -1.693 -3.683 1.00 0.47 C ATOM 1923 O TYR A 136 16.336 -1.213 -2.741 1.00 0.48 O ATOM 1924 CB TYR A 136 14.330 -3.754 -3.742 1.00 0.48 C ATOM 1925 CG TYR A 136 15.443 -4.464 -2.999 1.00 0.48 C ATOM 1926 CD1 TYR A 136 15.466 -4.506 -1.612 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.478 -5.084 -3.690 1.00 0.54 C ATOM 1928 CE1 TYR A 136 16.488 -5.144 -0.935 1.00 0.51 C ATOM 1929 CE2 TYR A 136 17.500 -5.727 -3.019 1.00 0.57 C ATOM 1930 CZ TYR A 136 17.500 -5.752 -1.642 1.00 0.54 C ATOM 1931 OH TYR A 136 18.518 -6.388 -0.968 1.00 0.59 O ATOM 0 H TYR A 136 12.972 -2.191 -5.113 1.00 0.48 H new ATOM 0 HA TYR A 136 13.967 -2.044 -2.479 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.373 -4.179 -3.441 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.440 -3.940 -4.810 1.00 0.48 H new ATOM 0 HD1 TYR A 136 14.673 -4.033 -1.053 1.00 0.48 H new ATOM 0 HD2 TYR A 136 16.483 -5.063 -4.770 1.00 0.54 H new ATOM 0 HE1 TYR A 136 16.492 -5.165 0.145 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.294 -6.207 -3.571 1.00 0.57 H new ATOM 0 HH TYR A 136 19.151 -6.766 -1.613 1.00 0.59 H new ATOM 1941 N GLN A 137 16.189 -1.753 -4.919 1.00 0.49 N ATOM 1942 CA GLN A 137 17.563 -1.405 -5.250 1.00 0.51 C ATOM 1943 C GLN A 137 17.780 0.077 -5.042 1.00 0.53 C ATOM 1944 O GLN A 137 18.881 0.526 -4.733 1.00 0.57 O ATOM 1945 CB GLN A 137 17.849 -1.776 -6.702 1.00 0.55 C ATOM 1946 CG GLN A 137 17.065 -2.992 -7.170 1.00 0.61 C ATOM 1947 CD GLN A 137 17.488 -3.522 -8.518 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.107 -2.990 -9.561 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.193 -4.633 -8.505 1.00 1.24 N ATOM 0 H GLN A 137 15.632 -2.045 -5.722 1.00 0.49 H new ATOM 0 HA GLN A 137 18.242 -1.957 -4.600 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.609 -0.927 -7.342 1.00 0.55 H new ATOM 0 HB3 GLN A 137 18.915 -1.971 -6.818 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.172 -3.786 -6.431 1.00 0.61 H new ATOM 0 HG3 GLN A 137 16.007 -2.734 -7.210 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.488 -5.039 -7.617 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.445 -5.088 -9.383 1.00 1.24 H new ATOM 1958 N GLU A 138 16.697 0.817 -5.193 1.00 0.53 N ATOM 1959 CA GLU A 138 16.700 2.250 -5.017 1.00 0.57 C ATOM 1960 C GLU A 138 16.956 2.591 -3.557 1.00 0.54 C ATOM 1961 O GLU A 138 17.794 3.425 -3.240 1.00 0.60 O ATOM 1962 CB GLU A 138 15.350 2.796 -5.465 1.00 0.60 C ATOM 1963 CG GLU A 138 15.102 4.244 -5.085 1.00 0.69 C ATOM 1964 CD GLU A 138 15.228 5.182 -6.267 1.00 1.33 C ATOM 1965 OE1 GLU A 138 16.357 5.611 -6.571 1.00 1.46 O ATOM 1966 OE2 GLU A 138 14.197 5.500 -6.894 1.00 2.04 O ATOM 0 H GLU A 138 15.786 0.433 -5.443 1.00 0.53 H new ATOM 0 HA GLU A 138 17.492 2.701 -5.615 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.274 2.699 -6.548 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.561 2.180 -5.034 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.105 4.338 -4.655 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.811 4.540 -4.312 1.00 0.69 H new ATOM 1973 N CYS A 139 16.244 1.924 -2.669 1.00 0.47 N ATOM 1974 CA CYS A 139 16.418 2.134 -1.252 1.00 0.44 C ATOM 1975 C CYS A 139 17.709 1.481 -0.772 1.00 0.43 C ATOM 1976 O CYS A 139 18.374 1.987 0.131 1.00 0.42 O ATOM 1977 CB CYS A 139 15.218 1.567 -0.510 1.00 0.42 C ATOM 1978 SG CYS A 139 13.637 2.219 -1.086 1.00 1.06 S ATOM 0 H CYS A 139 15.537 1.229 -2.910 1.00 0.47 H new ATOM 0 HA CYS A 139 16.489 3.203 -1.050 1.00 0.44 H new ATOM 0 HB2 CYS A 139 15.215 0.482 -0.617 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.324 1.782 0.553 1.00 0.42 H new ATOM 0 HG CYS A 139 12.690 1.376 -0.799 1.00 1.06 H new ATOM 1984 N ASN A 140 18.063 0.364 -1.402 1.00 0.45 N ATOM 1985 CA ASN A 140 19.303 -0.343 -1.097 1.00 0.48 C ATOM 1986 C ASN A 140 20.493 0.580 -1.301 1.00 0.52 C ATOM 1987 O ASN A 140 21.292 0.797 -0.389 1.00 0.54 O ATOM 1988 CB ASN A 140 19.438 -1.587 -1.986 1.00 0.52 C ATOM 1989 CG ASN A 140 20.695 -2.393 -1.704 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.207 -2.407 -0.589 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.194 -3.078 -2.722 1.00 1.13 N ATOM 0 H ASN A 140 17.503 -0.074 -2.133 1.00 0.45 H new ATOM 0 HA ASN A 140 19.279 -0.661 -0.055 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.566 -2.225 -1.842 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.439 -1.280 -3.032 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.033 -3.643 -2.594 1.00 1.13 H new ATOM 0 HD22 ASN A 140 20.739 -3.040 -3.634 1.00 1.13 H new ATOM 1998 N LYS A 141 20.586 1.151 -2.497 1.00 0.56 N ATOM 1999 CA LYS A 141 21.665 2.074 -2.807 1.00 0.63 C ATOM 2000 C LYS A 141 21.608 3.288 -1.889 1.00 0.60 C ATOM 2001 O LYS A 141 22.642 3.804 -1.492 1.00 0.65 O ATOM 2002 CB LYS A 141 21.607 2.529 -4.267 1.00 0.70 C ATOM 2003 CG LYS A 141 20.337 3.278 -4.618 1.00 0.69 C ATOM 2004 CD LYS A 141 20.493 4.099 -5.879 1.00 0.81 C ATOM 2005 CE LYS A 141 19.250 4.930 -6.143 1.00 0.85 C ATOM 2006 NZ LYS A 141 19.361 5.726 -7.391 1.00 1.15 N ATOM 0 H LYS A 141 19.930 0.991 -3.262 1.00 0.56 H new ATOM 0 HA LYS A 141 22.605 1.546 -2.648 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.465 3.168 -4.474 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.696 1.657 -4.915 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.521 2.567 -4.747 1.00 0.69 H new ATOM 0 HG3 LYS A 141 20.062 3.933 -3.791 1.00 0.69 H new ATOM 0 HD2 LYS A 141 21.360 4.753 -5.786 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.681 3.439 -6.726 1.00 0.81 H new ATOM 0 HE2 LYS A 141 18.383 4.273 -6.210 1.00 0.85 H new ATOM 0 HE3 LYS A 141 19.078 5.600 -5.301 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 18.414 6.030 -7.695 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.954 6.563 -7.217 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 19.794 5.144 -8.137 1.00 1.15 H new ATOM 2020 N ILE A 142 20.397 3.722 -1.537 1.00 0.54 N ATOM 2021 CA ILE A 142 20.216 4.896 -0.687 1.00 0.52 C ATOM 2022 C ILE A 142 20.783 4.669 0.713 1.00 0.49 C ATOM 2023 O ILE A 142 21.353 5.579 1.320 1.00 0.51 O ATOM 2024 CB ILE A 142 18.733 5.330 -0.616 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.344 6.001 -1.936 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.482 6.263 0.564 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.956 6.604 -1.942 1.00 0.60 C ATOM 0 H ILE A 142 19.527 3.276 -1.829 1.00 0.54 H new ATOM 0 HA ILE A 142 20.777 5.709 -1.148 1.00 0.52 H new ATOM 0 HB ILE A 142 18.113 4.447 -0.462 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.069 6.784 -2.160 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.412 5.266 -2.738 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.430 6.549 0.585 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.737 5.752 1.492 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.099 7.156 0.460 1.00 0.49 H new ATOM 0 HD11 ILE A 142 16.761 7.058 -2.913 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.219 5.823 -1.752 1.00 0.60 H new ATOM 0 HD13 ILE A 142 16.887 7.365 -1.165 1.00 0.60 H new ATOM 2039 N VAL A 143 20.648 3.454 1.220 1.00 0.46 N ATOM 2040 CA VAL A 143 21.289 3.095 2.474 1.00 0.47 C ATOM 2041 C VAL A 143 22.803 3.234 2.338 1.00 0.56 C ATOM 2042 O VAL A 143 23.485 3.708 3.250 1.00 0.59 O ATOM 2043 CB VAL A 143 20.937 1.656 2.904 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.716 1.261 4.146 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.443 1.525 3.148 1.00 0.41 C ATOM 0 H VAL A 143 20.106 2.706 0.787 1.00 0.46 H new ATOM 0 HA VAL A 143 20.921 3.774 3.243 1.00 0.47 H new ATOM 0 HB VAL A 143 21.216 0.979 2.096 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.453 0.243 4.432 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.785 1.315 3.938 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.471 1.942 4.961 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.212 0.504 3.451 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.141 2.214 3.937 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.902 1.763 2.232 1.00 0.41 H new ATOM 2055 N LYS A 144 23.309 2.850 1.172 1.00 0.63 N ATOM 2056 CA LYS A 144 24.739 2.926 0.888 1.00 0.74 C ATOM 2057 C LYS A 144 25.157 4.357 0.580 1.00 0.76 C ATOM 2058 O LYS A 144 26.341 4.688 0.619 1.00 0.85 O ATOM 2059 CB LYS A 144 25.089 2.009 -0.284 1.00 0.84 C ATOM 2060 CG LYS A 144 24.331 0.701 -0.230 1.00 0.83 C ATOM 2061 CD LYS A 144 24.843 -0.323 -1.232 1.00 1.10 C ATOM 2062 CE LYS A 144 24.235 -1.693 -0.974 1.00 1.57 C ATOM 2063 NZ LYS A 144 24.795 -2.741 -1.871 1.00 2.23 N ATOM 0 H LYS A 144 22.748 2.481 0.404 1.00 0.63 H new ATOM 0 HA LYS A 144 25.283 2.597 1.773 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.866 2.518 -1.221 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.160 1.807 -0.278 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.404 0.286 0.775 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.275 0.891 -0.420 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.600 0.001 -2.244 1.00 1.10 H new ATOM 0 HD3 LYS A 144 25.929 -0.386 -1.169 1.00 1.10 H new ATOM 0 HE2 LYS A 144 24.410 -1.976 0.064 1.00 1.57 H new ATOM 0 HE3 LYS A 144 23.155 -1.640 -1.112 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 24.349 -3.656 -1.656 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 24.606 -2.487 -2.862 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 25.822 -2.813 -1.722 1.00 2.23 H new ATOM 2077 N GLN A 145 24.185 5.203 0.253 1.00 0.70 N ATOM 2078 CA GLN A 145 24.456 6.620 0.090 1.00 0.74 C ATOM 2079 C GLN A 145 24.803 7.209 1.440 1.00 0.75 C ATOM 2080 O GLN A 145 25.668 8.078 1.562 1.00 0.84 O ATOM 2081 CB GLN A 145 23.261 7.365 -0.488 1.00 0.71 C ATOM 2082 CG GLN A 145 22.662 6.680 -1.690 1.00 0.72 C ATOM 2083 CD GLN A 145 21.452 7.410 -2.237 1.00 0.94 C ATOM 2084 OE1 GLN A 145 20.724 8.070 -1.496 1.00 1.36 O ATOM 2085 NE2 GLN A 145 21.232 7.304 -3.536 1.00 1.27 N ATOM 0 H GLN A 145 23.214 4.932 0.098 1.00 0.70 H new ATOM 0 HA GLN A 145 25.286 6.729 -0.608 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.497 7.467 0.283 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.569 8.373 -0.767 1.00 0.71 H new ATOM 0 HG2 GLN A 145 23.417 6.601 -2.472 1.00 0.72 H new ATOM 0 HG3 GLN A 145 22.376 5.664 -1.419 1.00 0.72 H new ATOM 0 HE21 GLN A 145 21.860 6.747 -4.116 1.00 1.27 H new ATOM 0 HE22 GLN A 145 20.435 7.779 -3.959 1.00 1.27 H new ATOM 2094 N LYS A 146 24.108 6.718 2.453 1.00 0.67 N ATOM 2095 CA LYS A 146 24.338 7.147 3.817 1.00 0.70 C ATOM 2096 C LYS A 146 25.645 6.582 4.351 1.00 0.84 C ATOM 2097 O LYS A 146 26.513 7.328 4.804 1.00 0.94 O ATOM 2098 CB LYS A 146 23.189 6.717 4.729 1.00 0.58 C ATOM 2099 CG LYS A 146 21.937 7.561 4.584 1.00 0.58 C ATOM 2100 CD LYS A 146 20.921 7.223 5.661 1.00 0.64 C ATOM 2101 CE LYS A 146 19.752 8.189 5.644 1.00 1.40 C ATOM 2102 NZ LYS A 146 18.819 7.950 6.776 1.00 1.73 N ATOM 0 H LYS A 146 23.375 6.016 2.352 1.00 0.67 H new ATOM 0 HA LYS A 146 24.396 8.235 3.810 1.00 0.70 H new ATOM 0 HB2 LYS A 146 22.940 5.677 4.517 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.526 6.760 5.765 1.00 0.58 H new ATOM 0 HG2 LYS A 146 22.198 8.618 4.645 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.497 7.398 3.600 1.00 0.58 H new ATOM 0 HD2 LYS A 146 20.557 6.206 5.513 1.00 0.64 H new ATOM 0 HD3 LYS A 146 21.403 7.250 6.638 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.126 9.212 5.691 1.00 1.40 H new ATOM 0 HE3 LYS A 146 19.213 8.090 4.702 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 17.844 7.903 6.418 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 19.060 7.052 7.241 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 18.899 8.727 7.462 1.00 1.73 H new