USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 791 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 81 HIS : no HD1:sc= -0.0174 X(o=-0.21,f=-0.29) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= -0.194 USER MOD Set 2.1: A 92 GLN : amide:sc= -0.211 K(o=-0.57,f=-3.8!) USER MOD Set 2.2: A 93 GLN : amide:sc= -0.359 X(o=-0.57,f=-0.6) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.012) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0883 (180deg=-0.439) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= -0.056 (180deg=-0.328) USER MOD Single : A 58 CYS SG : rot -22:sc= -0.817 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.09) USER MOD Single : A 63 ASN : amide:sc= -2.58! C(o=-2.6!,f=-9.7!) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.08) USER MOD Single : A 74 CYS SG : rot 62:sc= -1.31 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 1.15 (180deg=1.03) USER MOD Single : A 76 MET CE :methyl 165:sc= -3.44! (180deg=-4.1!) USER MOD Single : A 77 GLN : amide:sc= -0.333 K(o=-0.33,f=-1.2) USER MOD Single : A 78 THR OG1 : rot -40:sc= 1.25 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.75! K(o=-2.7!,f=-0.85) USER MOD Single : A 96 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-10!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 102 SER OG : rot 49:sc= 1.21 USER MOD Single : A 106 CYS SG : rot 91:sc= 1.21 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 81:sc= 1.26 USER MOD Single : A 118 SER OG : rot 99:sc= 1.2 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -24:sc= -4.12! USER MOD Single : A 128 ASN : amide:sc= 0.931 K(o=0.93,f=-0.75) USER MOD Single : A 131 CYS SG : rot 86:sc= 0.119 USER MOD Single : A 132 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.054) USER MOD Single : A 138 SER OG : rot -92:sc= 0.857 USER MOD Single : A 140 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0495) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 171:sc= -0.0241 (180deg=-0.162) USER MOD Single : A 144 ASN : amide:sc= -0.279 K(o=-0.28,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -18.199 -4.631 14.120 1.00 11.48 N ATOM 2 CA GLY A 51 -17.087 -4.384 13.172 1.00 11.08 C ATOM 3 C GLY A 51 -17.285 -5.139 11.876 1.00 10.43 C ATOM 4 O GLY A 51 -18.413 -5.481 11.519 1.00 10.45 O ATOM 0 HA2 GLY A 51 -17.015 -3.316 12.965 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -16.144 -4.685 13.629 1.00 11.08 H new ATOM 10 N SER A 52 -16.197 -5.397 11.170 1.00 10.08 N ATOM 11 CA SER A 52 -16.248 -6.188 9.953 1.00 9.69 C ATOM 12 C SER A 52 -15.963 -7.653 10.279 1.00 9.02 C ATOM 13 O SER A 52 -14.833 -8.016 10.605 1.00 8.98 O ATOM 14 CB SER A 52 -15.233 -5.655 8.941 1.00 10.27 C ATOM 15 OG SER A 52 -15.422 -4.266 8.713 1.00 10.53 O ATOM 0 H SER A 52 -15.264 -5.069 11.420 1.00 10.08 H new ATOM 0 HA SER A 52 -17.243 -6.114 9.515 1.00 9.69 H new ATOM 0 HB2 SER A 52 -14.222 -5.833 9.307 1.00 10.27 H new ATOM 0 HB3 SER A 52 -15.332 -6.198 8.001 1.00 10.27 H new ATOM 0 HG SER A 52 -14.760 -3.948 8.064 1.00 10.53 H new ATOM 21 N HIS A 53 -16.989 -8.488 10.203 1.00 8.73 N ATOM 22 CA HIS A 53 -16.866 -9.885 10.599 1.00 8.32 C ATOM 23 C HIS A 53 -17.204 -10.800 9.425 1.00 7.73 C ATOM 24 O HIS A 53 -18.152 -11.583 9.484 1.00 7.87 O ATOM 25 CB HIS A 53 -17.780 -10.176 11.797 1.00 8.73 C ATOM 26 CG HIS A 53 -17.448 -11.445 12.530 1.00 9.23 C ATOM 27 ND1 HIS A 53 -16.747 -11.425 13.713 1.00 9.69 N ATOM 28 CD2 HIS A 53 -17.747 -12.731 12.217 1.00 9.62 C ATOM 29 CE1 HIS A 53 -16.638 -12.689 14.089 1.00 10.29 C ATOM 30 NE2 HIS A 53 -17.229 -13.513 13.215 1.00 10.28 N ATOM 0 H HIS A 53 -17.916 -8.223 9.871 1.00 8.73 H new ATOM 0 HA HIS A 53 -15.835 -10.079 10.897 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -17.723 -9.341 12.495 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -18.811 -10.230 11.448 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -18.289 -13.072 11.348 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -16.136 -13.015 14.988 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -17.283 -14.529 13.280 1.00 10.28 H new ATOM 38 N MET A 54 -16.435 -10.662 8.350 1.00 7.35 N ATOM 39 CA MET A 54 -16.568 -11.513 7.164 1.00 7.08 C ATOM 40 C MET A 54 -18.012 -11.541 6.648 1.00 6.25 C ATOM 41 O MET A 54 -18.591 -12.605 6.423 1.00 6.50 O ATOM 42 CB MET A 54 -16.070 -12.934 7.473 1.00 7.61 C ATOM 43 CG MET A 54 -15.979 -13.836 6.251 1.00 8.34 C ATOM 44 SD MET A 54 -14.878 -13.181 4.980 1.00 8.78 S ATOM 45 CE MET A 54 -15.108 -14.395 3.682 1.00 9.55 C ATOM 0 H MET A 54 -15.701 -9.958 8.272 1.00 7.35 H new ATOM 0 HA MET A 54 -15.950 -11.088 6.373 1.00 7.08 H new ATOM 0 HB2 MET A 54 -15.087 -12.870 7.939 1.00 7.61 H new ATOM 0 HB3 MET A 54 -16.739 -13.392 8.201 1.00 7.61 H new ATOM 0 HG2 MET A 54 -15.627 -14.821 6.557 1.00 8.34 H new ATOM 0 HG3 MET A 54 -16.975 -13.970 5.829 1.00 8.34 H new ATOM 0 HE1 MET A 54 -14.492 -14.130 2.823 1.00 9.55 H new ATOM 0 HE2 MET A 54 -14.816 -15.379 4.048 1.00 9.55 H new ATOM 0 HE3 MET A 54 -16.156 -14.415 3.384 1.00 9.55 H new ATOM 55 N GLY A 55 -18.603 -10.364 6.492 1.00 5.61 N ATOM 56 CA GLY A 55 -19.914 -10.275 5.886 1.00 5.11 C ATOM 57 C GLY A 55 -19.862 -10.613 4.413 1.00 4.35 C ATOM 58 O GLY A 55 -20.681 -11.377 3.905 1.00 4.69 O ATOM 0 H GLY A 55 -18.198 -9.471 6.774 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -20.599 -10.955 6.393 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -20.310 -9.268 6.017 1.00 5.11 H new ATOM 62 N LYS A 56 -18.892 -10.039 3.728 1.00 3.64 N ATOM 63 CA LYS A 56 -18.652 -10.377 2.337 1.00 3.11 C ATOM 64 C LYS A 56 -17.177 -10.660 2.097 1.00 2.55 C ATOM 65 O LYS A 56 -16.839 -11.576 1.347 1.00 2.86 O ATOM 66 CB LYS A 56 -19.138 -9.268 1.387 1.00 3.33 C ATOM 67 CG LYS A 56 -18.391 -7.946 1.518 1.00 3.32 C ATOM 68 CD LYS A 56 -18.979 -7.058 2.604 1.00 4.10 C ATOM 69 CE LYS A 56 -20.371 -6.568 2.234 1.00 4.54 C ATOM 70 NZ LYS A 56 -20.368 -5.800 0.960 1.00 5.01 N ATOM 0 H LYS A 56 -18.258 -9.338 4.110 1.00 3.64 H new ATOM 0 HA LYS A 56 -19.226 -11.278 2.122 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -19.046 -9.622 0.360 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -20.198 -9.091 1.569 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -17.343 -8.144 1.741 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -18.420 -7.418 0.565 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -19.025 -7.611 3.542 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -18.324 -6.203 2.770 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -21.044 -7.421 2.142 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -20.760 -5.940 3.036 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -21.238 -5.234 0.894 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -19.542 -5.168 0.937 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -20.322 -6.460 0.157 1.00 5.01 H new ATOM 84 N LYS A 57 -16.311 -9.917 2.791 1.00 2.28 N ATOM 85 CA LYS A 57 -14.868 -9.925 2.541 1.00 1.87 C ATOM 86 C LYS A 57 -14.166 -8.975 3.483 1.00 1.72 C ATOM 87 O LYS A 57 -13.326 -9.383 4.281 1.00 2.48 O ATOM 88 CB LYS A 57 -14.537 -9.512 1.110 1.00 1.84 C ATOM 89 CG LYS A 57 -14.465 -10.648 0.106 1.00 2.16 C ATOM 90 CD LYS A 57 -13.228 -11.501 0.301 1.00 2.61 C ATOM 91 CE LYS A 57 -13.230 -12.675 -0.659 1.00 3.28 C ATOM 92 NZ LYS A 57 -13.417 -12.246 -2.072 1.00 3.67 N ATOM 0 H LYS A 57 -16.593 -9.291 3.545 1.00 2.28 H new ATOM 0 HA LYS A 57 -14.525 -10.947 2.703 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -15.288 -8.798 0.773 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -13.580 -8.990 1.112 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -15.354 -11.272 0.200 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -14.468 -10.239 -0.905 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -12.335 -10.897 0.143 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -13.189 -11.864 1.328 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -12.290 -13.218 -0.568 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -14.026 -13.367 -0.383 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -13.211 -13.043 -2.707 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -14.400 -11.936 -2.213 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -12.771 -11.459 -2.284 1.00 3.67 H new ATOM 106 N CYS A 58 -14.497 -7.702 3.329 1.00 1.35 N ATOM 107 CA CYS A 58 -13.970 -6.625 4.156 1.00 1.14 C ATOM 108 C CYS A 58 -12.458 -6.577 4.074 1.00 0.88 C ATOM 109 O CYS A 58 -11.723 -6.889 5.014 1.00 1.38 O ATOM 110 CB CYS A 58 -14.491 -6.706 5.587 1.00 1.36 C ATOM 111 SG CYS A 58 -13.826 -8.029 6.632 1.00 1.88 S ATOM 0 H CYS A 58 -15.150 -7.382 2.614 1.00 1.35 H new ATOM 0 HA CYS A 58 -14.337 -5.677 3.762 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -14.287 -5.753 6.076 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -15.574 -6.818 5.547 1.00 1.36 H new ATOM 0 HG CYS A 58 -13.358 -8.981 5.881 1.00 1.88 H new ATOM 117 N TYR A 59 -12.025 -6.147 2.909 1.00 0.42 N ATOM 118 CA TYR A 59 -10.626 -6.033 2.571 1.00 0.31 C ATOM 119 C TYR A 59 -9.910 -5.040 3.468 1.00 0.30 C ATOM 120 O TYR A 59 -8.695 -4.962 3.438 1.00 0.33 O ATOM 121 CB TYR A 59 -10.500 -5.586 1.123 1.00 0.67 C ATOM 122 CG TYR A 59 -11.513 -6.244 0.213 1.00 1.01 C ATOM 123 CD1 TYR A 59 -11.283 -7.469 -0.401 1.00 1.26 C ATOM 124 CD2 TYR A 59 -12.703 -5.619 -0.029 1.00 1.22 C ATOM 125 CE1 TYR A 59 -12.227 -8.038 -1.231 1.00 1.58 C ATOM 126 CE2 TYR A 59 -13.660 -6.169 -0.854 1.00 1.56 C ATOM 127 CZ TYR A 59 -13.327 -7.519 -1.460 1.00 1.66 C ATOM 128 OH TYR A 59 -14.370 -7.947 -2.276 1.00 2.04 O ATOM 0 H TYR A 59 -12.650 -5.861 2.155 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.161 -7.008 2.714 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -10.621 -4.504 1.070 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -9.496 -5.812 0.764 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -10.350 -7.984 -0.226 1.00 1.26 H new ATOM 0 HD2 TYR A 59 -12.900 -4.666 0.440 1.00 1.22 H new ATOM 0 HE1 TYR A 59 -11.995 -8.981 -1.703 1.00 1.58 H new ATOM 0 HE2 TYR A 59 -14.594 -5.667 -1.058 1.00 1.56 H new ATOM 0 HH TYR A 59 -15.105 -7.301 -2.233 1.00 2.04 H new ATOM 138 N LYS A 60 -10.663 -4.280 4.261 1.00 0.29 N ATOM 139 CA LYS A 60 -10.087 -3.268 5.113 1.00 0.29 C ATOM 140 C LYS A 60 -9.001 -3.858 5.990 1.00 0.25 C ATOM 141 O LYS A 60 -7.865 -3.391 5.989 1.00 0.26 O ATOM 142 CB LYS A 60 -11.196 -2.672 5.979 1.00 0.37 C ATOM 143 CG LYS A 60 -10.803 -1.386 6.660 1.00 0.57 C ATOM 144 CD LYS A 60 -9.974 -1.610 7.899 1.00 0.43 C ATOM 145 CE LYS A 60 -10.759 -2.244 9.034 1.00 0.76 C ATOM 146 NZ LYS A 60 -10.077 -2.035 10.335 1.00 1.62 N ATOM 0 H LYS A 60 -11.678 -4.355 4.324 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.634 -2.491 4.497 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -12.073 -2.491 5.358 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.486 -3.401 6.736 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.242 -0.767 5.960 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.703 -0.831 6.926 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -9.126 -2.248 7.651 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.568 -0.656 8.235 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -11.761 -1.816 9.072 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.876 -3.312 8.848 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -10.659 -2.433 11.100 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -9.151 -2.509 10.322 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.943 -1.016 10.497 1.00 1.62 H new ATOM 160 N LEU A 61 -9.360 -4.893 6.725 1.00 0.25 N ATOM 161 CA LEU A 61 -8.414 -5.561 7.581 1.00 0.25 C ATOM 162 C LEU A 61 -7.249 -6.126 6.785 1.00 0.26 C ATOM 163 O LEU A 61 -6.090 -5.959 7.161 1.00 0.30 O ATOM 164 CB LEU A 61 -9.098 -6.676 8.344 1.00 0.30 C ATOM 165 CG LEU A 61 -9.162 -6.473 9.849 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.589 -7.761 10.530 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.820 -5.980 10.379 1.00 0.63 C ATOM 0 H LEU A 61 -10.301 -5.285 6.743 1.00 0.25 H new ATOM 0 HA LEU A 61 -8.023 -4.825 8.283 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -10.113 -6.788 7.963 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.576 -7.611 8.140 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.906 -5.709 10.074 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.632 -7.606 11.608 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.573 -8.056 10.166 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.869 -8.548 10.305 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.884 -5.840 11.458 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -7.048 -6.715 10.154 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.568 -5.032 9.905 1.00 0.63 H new ATOM 179 N GLU A 62 -7.579 -6.815 5.700 1.00 0.25 N ATOM 180 CA GLU A 62 -6.587 -7.335 4.781 1.00 0.29 C ATOM 181 C GLU A 62 -5.604 -6.252 4.382 1.00 0.23 C ATOM 182 O GLU A 62 -4.405 -6.382 4.597 1.00 0.20 O ATOM 183 CB GLU A 62 -7.284 -7.888 3.557 1.00 0.39 C ATOM 184 CG GLU A 62 -7.115 -9.378 3.416 1.00 0.63 C ATOM 185 CD GLU A 62 -5.753 -9.789 2.899 1.00 1.48 C ATOM 186 OE1 GLU A 62 -4.836 -9.990 3.723 1.00 1.98 O ATOM 187 OE2 GLU A 62 -5.588 -9.883 1.664 1.00 2.20 O ATOM 0 H GLU A 62 -8.542 -7.026 5.437 1.00 0.25 H new ATOM 0 HA GLU A 62 -6.028 -8.131 5.273 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.346 -7.650 3.610 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.892 -7.396 2.667 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -7.283 -9.847 4.385 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -7.881 -9.759 2.740 1.00 0.63 H new ATOM 194 N ASN A 63 -6.136 -5.167 3.854 1.00 0.22 N ATOM 195 CA ASN A 63 -5.330 -4.083 3.336 1.00 0.19 C ATOM 196 C ASN A 63 -4.505 -3.408 4.418 1.00 0.15 C ATOM 197 O ASN A 63 -3.333 -3.111 4.198 1.00 0.16 O ATOM 198 CB ASN A 63 -6.225 -3.065 2.647 1.00 0.21 C ATOM 199 CG ASN A 63 -6.868 -3.632 1.405 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.331 -4.533 0.785 1.00 0.33 O ATOM 201 ND2 ASN A 63 -8.029 -3.115 1.041 1.00 0.27 N ATOM 0 H ASN A 63 -7.141 -5.014 3.773 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.629 -4.507 2.618 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -7.000 -2.735 3.339 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.638 -2.185 2.383 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.508 -3.470 0.214 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.445 -2.361 1.588 1.00 0.27 H new ATOM 208 N GLU A 64 -5.110 -3.148 5.574 1.00 0.15 N ATOM 209 CA GLU A 64 -4.374 -2.595 6.696 1.00 0.16 C ATOM 210 C GLU A 64 -3.167 -3.463 6.991 1.00 0.14 C ATOM 211 O GLU A 64 -2.027 -3.003 6.969 1.00 0.17 O ATOM 212 CB GLU A 64 -5.246 -2.530 7.943 1.00 0.21 C ATOM 213 CG GLU A 64 -6.324 -1.471 7.909 1.00 0.30 C ATOM 214 CD GLU A 64 -6.943 -1.256 9.272 1.00 1.20 C ATOM 215 OE1 GLU A 64 -7.523 -2.213 9.827 1.00 1.75 O ATOM 216 OE2 GLU A 64 -6.832 -0.135 9.808 1.00 1.77 O ATOM 0 H GLU A 64 -6.101 -3.312 5.753 1.00 0.15 H new ATOM 0 HA GLU A 64 -4.060 -1.586 6.430 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.716 -3.502 8.091 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.607 -2.350 8.807 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -5.901 -0.533 7.550 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -7.099 -1.763 7.200 1.00 0.30 H new ATOM 223 N LYS A 65 -3.448 -4.732 7.228 1.00 0.13 N ATOM 224 CA LYS A 65 -2.455 -5.706 7.579 1.00 0.14 C ATOM 225 C LYS A 65 -1.386 -5.812 6.514 1.00 0.12 C ATOM 226 O LYS A 65 -0.203 -5.680 6.799 1.00 0.14 O ATOM 227 CB LYS A 65 -3.152 -7.038 7.734 1.00 0.20 C ATOM 228 CG LYS A 65 -2.480 -7.936 8.726 1.00 0.44 C ATOM 229 CD LYS A 65 -1.619 -8.988 8.051 1.00 0.86 C ATOM 230 CE LYS A 65 -2.458 -9.924 7.191 1.00 1.32 C ATOM 231 NZ LYS A 65 -1.646 -11.021 6.604 1.00 1.93 N ATOM 0 H LYS A 65 -4.393 -5.112 7.178 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.966 -5.407 8.506 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -4.183 -6.869 8.045 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.189 -7.538 6.766 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.862 -7.338 9.396 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.235 -8.426 9.341 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.865 -8.501 7.433 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -1.087 -9.565 8.807 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -3.259 -10.350 7.795 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -2.930 -9.355 6.390 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -2.267 -11.672 6.082 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -0.940 -10.621 5.954 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -1.162 -11.539 7.364 1.00 1.93 H new ATOM 245 N LEU A 66 -1.823 -6.060 5.289 1.00 0.11 N ATOM 246 CA LEU A 66 -0.921 -6.172 4.148 1.00 0.10 C ATOM 247 C LEU A 66 -0.028 -4.945 4.052 1.00 0.08 C ATOM 248 O LEU A 66 1.171 -5.054 3.800 1.00 0.08 O ATOM 249 CB LEU A 66 -1.715 -6.327 2.857 1.00 0.10 C ATOM 250 CG LEU A 66 -2.548 -7.598 2.752 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.469 -7.523 1.549 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.634 -8.801 2.658 1.00 0.17 C ATOM 0 H LEU A 66 -2.808 -6.189 5.056 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.298 -7.054 4.293 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.378 -5.468 2.753 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -1.021 -6.297 2.017 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.165 -7.699 3.645 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -4.059 -8.437 1.485 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.136 -6.667 1.654 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.875 -7.410 0.642 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.233 -9.708 2.583 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -1.002 -8.710 1.775 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -1.008 -8.852 3.549 1.00 0.17 H new ATOM 264 N PHE A 67 -0.625 -3.779 4.263 1.00 0.07 N ATOM 265 CA PHE A 67 0.118 -2.538 4.280 1.00 0.06 C ATOM 266 C PHE A 67 1.211 -2.585 5.340 1.00 0.06 C ATOM 267 O PHE A 67 2.359 -2.257 5.065 1.00 0.07 O ATOM 268 CB PHE A 67 -0.810 -1.352 4.540 1.00 0.08 C ATOM 269 CG PHE A 67 -0.071 -0.055 4.558 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.724 0.288 3.488 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.156 0.802 5.639 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.434 1.473 3.487 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.545 1.990 5.644 1.00 0.12 C ATOM 274 CZ PHE A 67 1.341 2.324 4.567 1.00 0.09 C ATOM 0 H PHE A 67 -1.626 -3.673 4.425 1.00 0.07 H new ATOM 0 HA PHE A 67 0.580 -2.409 3.301 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.580 -1.319 3.770 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.319 -1.492 5.494 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.793 -0.377 2.640 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.775 0.540 6.485 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.059 1.731 2.645 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.471 2.658 6.489 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.892 3.253 4.571 1.00 0.09 H new ATOM 284 N GLU A 68 0.845 -3.000 6.547 1.00 0.08 N ATOM 285 CA GLU A 68 1.806 -3.129 7.641 1.00 0.09 C ATOM 286 C GLU A 68 2.873 -4.140 7.280 1.00 0.10 C ATOM 287 O GLU A 68 4.055 -3.916 7.519 1.00 0.12 O ATOM 288 CB GLU A 68 1.115 -3.600 8.924 1.00 0.14 C ATOM 289 CG GLU A 68 -0.160 -2.860 9.245 1.00 0.21 C ATOM 290 CD GLU A 68 -0.813 -3.347 10.522 1.00 0.87 C ATOM 291 OE1 GLU A 68 -0.262 -3.093 11.613 1.00 1.19 O ATOM 292 OE2 GLU A 68 -1.888 -3.976 10.448 1.00 1.47 O ATOM 0 H GLU A 68 -0.111 -3.254 6.795 1.00 0.08 H new ATOM 0 HA GLU A 68 2.252 -2.148 7.806 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.892 -4.663 8.835 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.807 -3.488 9.759 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.056 -1.795 9.335 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.860 -2.975 8.417 1.00 0.21 H new ATOM 299 N GLU A 69 2.445 -5.240 6.680 1.00 0.10 N ATOM 300 CA GLU A 69 3.355 -6.316 6.306 1.00 0.12 C ATOM 301 C GLU A 69 4.402 -5.787 5.341 1.00 0.11 C ATOM 302 O GLU A 69 5.564 -6.199 5.356 1.00 0.14 O ATOM 303 CB GLU A 69 2.606 -7.466 5.633 1.00 0.15 C ATOM 304 CG GLU A 69 1.527 -8.120 6.457 1.00 0.25 C ATOM 305 CD GLU A 69 1.489 -9.619 6.259 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.385 -10.313 6.776 1.00 1.21 O ATOM 307 OE2 GLU A 69 0.565 -10.112 5.580 1.00 1.34 O ATOM 0 H GLU A 69 1.469 -5.413 6.440 1.00 0.10 H new ATOM 0 HA GLU A 69 3.827 -6.687 7.216 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.157 -7.092 4.713 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.331 -8.228 5.348 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.692 -7.898 7.511 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.560 -7.695 6.190 1.00 0.25 H new ATOM 314 N PHE A 70 3.964 -4.879 4.492 1.00 0.09 N ATOM 315 CA PHE A 70 4.801 -4.276 3.500 1.00 0.09 C ATOM 316 C PHE A 70 5.636 -3.171 4.145 1.00 0.08 C ATOM 317 O PHE A 70 6.823 -3.028 3.867 1.00 0.10 O ATOM 318 CB PHE A 70 3.912 -3.727 2.394 1.00 0.09 C ATOM 319 CG PHE A 70 4.642 -3.105 1.258 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.023 -1.793 1.342 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.924 -3.818 0.107 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.679 -1.183 0.302 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.587 -3.217 -0.943 1.00 0.13 C ATOM 324 CZ PHE A 70 5.964 -1.892 -0.844 1.00 0.13 C ATOM 0 H PHE A 70 3.002 -4.541 4.480 1.00 0.09 H new ATOM 0 HA PHE A 70 5.487 -5.007 3.072 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.292 -4.537 2.009 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.238 -2.986 2.823 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.805 -1.231 2.238 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.623 -4.852 0.030 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.972 -0.147 0.382 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.810 -3.780 -1.838 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.481 -1.413 -1.663 1.00 0.13 H new ATOM 334 N LEU A 71 4.982 -2.393 5.006 1.00 0.07 N ATOM 335 CA LEU A 71 5.615 -1.314 5.740 1.00 0.08 C ATOM 336 C LEU A 71 6.797 -1.797 6.574 1.00 0.08 C ATOM 337 O LEU A 71 7.906 -1.273 6.455 1.00 0.09 O ATOM 338 CB LEU A 71 4.590 -0.610 6.627 1.00 0.09 C ATOM 339 CG LEU A 71 4.082 0.709 6.057 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.615 1.648 7.142 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.168 1.366 5.259 1.00 0.10 C ATOM 0 H LEU A 71 3.989 -2.500 5.211 1.00 0.07 H new ATOM 0 HA LEU A 71 6.007 -0.608 5.008 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.742 -1.277 6.785 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.036 -0.424 7.604 1.00 0.09 H new ATOM 0 HG LEU A 71 3.228 0.486 5.417 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.261 2.576 6.693 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.803 1.183 7.701 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.443 1.865 7.817 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.802 2.309 4.853 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.027 1.557 5.902 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.466 0.710 4.441 1.00 0.10 H new ATOM 353 N GLU A 72 6.544 -2.781 7.427 1.00 0.08 N ATOM 354 CA GLU A 72 7.601 -3.413 8.228 1.00 0.11 C ATOM 355 C GLU A 72 8.726 -3.888 7.333 1.00 0.09 C ATOM 356 O GLU A 72 9.904 -3.691 7.627 1.00 0.12 O ATOM 357 CB GLU A 72 7.052 -4.603 9.007 1.00 0.19 C ATOM 358 CG GLU A 72 5.850 -4.245 9.836 1.00 0.26 C ATOM 359 CD GLU A 72 6.181 -3.322 10.991 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.443 -2.131 10.748 1.00 1.13 O ATOM 361 OE2 GLU A 72 6.166 -3.783 12.150 1.00 0.89 O ATOM 0 H GLU A 72 5.613 -3.165 7.587 1.00 0.08 H new ATOM 0 HA GLU A 72 7.978 -2.669 8.929 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.785 -5.397 8.310 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.832 -4.999 9.657 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.105 -3.768 9.199 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.399 -5.158 10.225 1.00 0.26 H new ATOM 368 N LEU A 73 8.334 -4.529 6.242 1.00 0.10 N ATOM 369 CA LEU A 73 9.269 -4.984 5.223 1.00 0.11 C ATOM 370 C LEU A 73 10.131 -3.833 4.745 1.00 0.10 C ATOM 371 O LEU A 73 11.349 -3.948 4.706 1.00 0.12 O ATOM 372 CB LEU A 73 8.499 -5.578 4.040 1.00 0.14 C ATOM 373 CG LEU A 73 9.350 -6.043 2.856 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.962 -7.403 3.125 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.521 -6.075 1.587 1.00 0.46 C ATOM 0 H LEU A 73 7.359 -4.749 6.038 1.00 0.10 H new ATOM 0 HA LEU A 73 9.913 -5.749 5.657 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.916 -6.426 4.399 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.789 -4.832 3.682 1.00 0.14 H new ATOM 0 HG LEU A 73 10.162 -5.329 2.723 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.561 -7.708 2.267 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.596 -7.348 4.010 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.169 -8.132 3.292 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.142 -6.408 0.755 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.686 -6.764 1.715 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.138 -5.076 1.377 1.00 0.46 H new ATOM 387 N CYS A 74 9.501 -2.719 4.405 1.00 0.09 N ATOM 388 CA CYS A 74 10.240 -1.552 3.941 1.00 0.10 C ATOM 389 C CYS A 74 11.259 -1.111 4.983 1.00 0.11 C ATOM 390 O CYS A 74 12.412 -0.873 4.654 1.00 0.14 O ATOM 391 CB CYS A 74 9.290 -0.409 3.605 1.00 0.10 C ATOM 392 SG CYS A 74 8.126 -0.822 2.300 1.00 0.11 S ATOM 0 H CYS A 74 8.489 -2.597 4.440 1.00 0.09 H new ATOM 0 HA CYS A 74 10.776 -1.829 3.033 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.737 -0.128 4.501 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.871 0.462 3.303 1.00 0.10 H new ATOM 0 HG CYS A 74 7.384 -1.819 2.680 1.00 0.11 H new ATOM 398 N LYS A 75 10.855 -1.073 6.249 1.00 0.11 N ATOM 399 CA LYS A 75 11.760 -0.690 7.331 1.00 0.12 C ATOM 400 C LYS A 75 12.978 -1.613 7.383 1.00 0.13 C ATOM 401 O LYS A 75 14.001 -1.285 7.983 1.00 0.16 O ATOM 402 CB LYS A 75 11.023 -0.743 8.665 1.00 0.13 C ATOM 403 CG LYS A 75 9.818 0.161 8.732 1.00 0.18 C ATOM 404 CD LYS A 75 8.998 -0.144 9.963 1.00 0.20 C ATOM 405 CE LYS A 75 7.742 0.694 10.009 1.00 0.30 C ATOM 406 NZ LYS A 75 6.912 0.378 11.198 1.00 0.32 N ATOM 0 H LYS A 75 9.908 -1.302 6.552 1.00 0.11 H new ATOM 0 HA LYS A 75 12.105 0.326 7.141 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.707 -1.769 8.854 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.714 -0.471 9.462 1.00 0.13 H new ATOM 0 HG2 LYS A 75 10.138 1.203 8.749 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.207 0.030 7.839 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.733 -1.201 9.973 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.595 0.043 10.856 1.00 0.20 H new ATOM 0 HE2 LYS A 75 8.010 1.750 10.023 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.159 0.525 9.104 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.183 1.110 11.317 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.455 -0.547 11.067 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.515 0.349 12.045 1.00 0.32 H new ATOM 420 N MET A 76 12.849 -2.773 6.753 1.00 0.12 N ATOM 421 CA MET A 76 13.910 -3.758 6.728 1.00 0.13 C ATOM 422 C MET A 76 14.832 -3.571 5.522 1.00 0.14 C ATOM 423 O MET A 76 16.040 -3.806 5.618 1.00 0.16 O ATOM 424 CB MET A 76 13.298 -5.163 6.727 1.00 0.14 C ATOM 425 CG MET A 76 12.508 -5.467 7.987 1.00 0.15 C ATOM 426 SD MET A 76 12.142 -7.221 8.186 1.00 0.21 S ATOM 427 CE MET A 76 11.060 -7.506 6.791 1.00 0.40 C ATOM 0 H MET A 76 12.008 -3.052 6.248 1.00 0.12 H new ATOM 0 HA MET A 76 14.522 -3.626 7.620 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.645 -5.268 5.861 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.094 -5.900 6.617 1.00 0.14 H new ATOM 0 HG2 MET A 76 13.070 -5.118 8.854 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.573 -4.907 7.967 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.962 -8.578 6.619 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.078 -7.081 6.999 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.479 -7.033 5.903 1.00 0.40 H new ATOM 437 N GLN A 77 14.279 -3.156 4.385 1.00 0.14 N ATOM 438 CA GLN A 77 15.060 -3.051 3.159 1.00 0.15 C ATOM 439 C GLN A 77 15.324 -1.607 2.696 1.00 0.16 C ATOM 440 O GLN A 77 16.210 -1.383 1.871 1.00 0.22 O ATOM 441 CB GLN A 77 14.362 -3.823 2.038 1.00 0.19 C ATOM 442 CG GLN A 77 13.014 -4.409 2.415 1.00 0.21 C ATOM 443 CD GLN A 77 12.881 -5.866 2.037 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.487 -6.201 0.923 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.176 -6.738 2.981 1.00 0.25 N ATOM 0 H GLN A 77 13.299 -2.889 4.289 1.00 0.14 H new ATOM 0 HA GLN A 77 16.035 -3.481 3.388 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.228 -3.157 1.186 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.016 -4.632 1.711 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.865 -4.302 3.489 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.225 -3.838 1.925 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.500 -6.413 3.892 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.080 -7.737 2.800 1.00 0.25 H new ATOM 454 N THR A 78 14.583 -0.632 3.207 1.00 0.17 N ATOM 455 CA THR A 78 14.702 0.739 2.714 1.00 0.22 C ATOM 456 C THR A 78 15.531 1.593 3.656 1.00 0.30 C ATOM 457 O THR A 78 15.133 2.700 4.007 1.00 0.32 O ATOM 458 CB THR A 78 13.327 1.426 2.513 1.00 0.17 C ATOM 459 OG1 THR A 78 12.657 1.601 3.768 1.00 0.14 O ATOM 460 CG2 THR A 78 12.438 0.625 1.583 1.00 0.22 C ATOM 0 H THR A 78 13.900 -0.760 3.954 1.00 0.17 H new ATOM 0 HA THR A 78 15.196 0.660 1.746 1.00 0.22 H new ATOM 0 HB THR A 78 13.519 2.401 2.064 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.792 0.806 4.325 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.482 1.135 1.464 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.921 0.529 0.611 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.270 -0.366 2.004 1.00 0.22 H new ATOM 468 N ALA A 79 16.667 1.076 4.087 1.00 0.38 N ATOM 469 CA ALA A 79 17.575 1.821 4.949 1.00 0.50 C ATOM 470 C ALA A 79 17.904 3.204 4.397 1.00 0.52 C ATOM 471 O ALA A 79 17.963 4.180 5.145 1.00 0.55 O ATOM 472 CB ALA A 79 18.844 1.029 5.131 1.00 0.67 C ATOM 0 H ALA A 79 16.987 0.136 3.854 1.00 0.38 H new ATOM 0 HA ALA A 79 17.075 1.970 5.906 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.528 1.581 5.775 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.610 0.068 5.589 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.313 0.864 4.161 1.00 0.67 H new ATOM 478 N ASP A 80 18.121 3.286 3.093 1.00 0.53 N ATOM 479 CA ASP A 80 18.463 4.553 2.457 1.00 0.57 C ATOM 480 C ASP A 80 17.244 5.456 2.360 1.00 0.52 C ATOM 481 O ASP A 80 17.353 6.668 2.198 1.00 0.57 O ATOM 482 CB ASP A 80 19.025 4.305 1.059 1.00 0.65 C ATOM 483 CG ASP A 80 19.394 5.587 0.337 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.505 6.111 0.560 1.00 1.94 O ATOM 485 OD2 ASP A 80 18.578 6.077 -0.468 1.00 1.46 O ATOM 0 H ASP A 80 18.067 2.493 2.454 1.00 0.53 H new ATOM 0 HA ASP A 80 19.217 5.046 3.070 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.907 3.669 1.135 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.289 3.760 0.468 1.00 0.65 H new ATOM 490 N HIS A 81 16.077 4.850 2.464 1.00 0.43 N ATOM 491 CA HIS A 81 14.825 5.586 2.348 1.00 0.38 C ATOM 492 C HIS A 81 13.909 5.304 3.533 1.00 0.29 C ATOM 493 O HIS A 81 12.852 4.698 3.378 1.00 0.23 O ATOM 494 CB HIS A 81 14.105 5.232 1.039 1.00 0.41 C ATOM 495 CG HIS A 81 14.798 5.720 -0.199 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.556 6.954 -0.768 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.718 5.120 -0.991 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.293 7.087 -1.855 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.003 5.989 -2.012 1.00 0.86 N ATOM 0 H HIS A 81 15.966 3.850 2.629 1.00 0.43 H new ATOM 0 HA HIS A 81 15.068 6.649 2.343 1.00 0.38 H new ATOM 0 HB2 HIS A 81 13.998 4.149 0.978 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.099 5.650 1.067 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.147 4.140 -0.845 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.311 7.949 -2.505 1.00 1.08 H new ATOM 0 HE2 HIS A 81 16.660 5.813 -2.772 1.00 0.86 H new ATOM 508 N PRO A 82 14.295 5.755 4.736 1.00 0.32 N ATOM 509 CA PRO A 82 13.479 5.579 5.935 1.00 0.29 C ATOM 510 C PRO A 82 12.205 6.412 5.873 1.00 0.26 C ATOM 511 O PRO A 82 11.230 6.139 6.571 1.00 0.29 O ATOM 512 CB PRO A 82 14.386 6.062 7.061 1.00 0.38 C ATOM 513 CG PRO A 82 15.374 6.968 6.417 1.00 0.44 C ATOM 514 CD PRO A 82 15.553 6.467 5.020 1.00 0.41 C ATOM 0 HA PRO A 82 13.147 4.549 6.063 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.815 6.586 7.827 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.883 5.225 7.551 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.016 7.998 6.418 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.320 6.959 6.958 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.716 7.286 4.319 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.414 5.804 4.941 1.00 0.41 H new ATOM 522 N GLU A 83 12.232 7.422 5.012 1.00 0.23 N ATOM 523 CA GLU A 83 11.089 8.294 4.770 1.00 0.21 C ATOM 524 C GLU A 83 10.010 7.579 3.970 1.00 0.17 C ATOM 525 O GLU A 83 8.874 8.038 3.885 1.00 0.18 O ATOM 526 CB GLU A 83 11.541 9.523 4.002 1.00 0.28 C ATOM 527 CG GLU A 83 12.188 9.158 2.694 1.00 0.46 C ATOM 528 CD GLU A 83 12.882 10.325 2.027 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.955 10.743 2.510 1.00 0.95 O ATOM 530 OE2 GLU A 83 12.341 10.842 1.026 1.00 1.01 O ATOM 0 H GLU A 83 13.054 7.661 4.458 1.00 0.23 H new ATOM 0 HA GLU A 83 10.673 8.582 5.736 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.684 10.170 3.815 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.245 10.093 4.609 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.912 8.362 2.864 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.430 8.760 2.019 1.00 0.46 H new ATOM 537 N VAL A 84 10.384 6.459 3.381 1.00 0.15 N ATOM 538 CA VAL A 84 9.497 5.699 2.532 1.00 0.14 C ATOM 539 C VAL A 84 8.311 5.160 3.311 1.00 0.11 C ATOM 540 O VAL A 84 7.197 5.142 2.812 1.00 0.11 O ATOM 541 CB VAL A 84 10.279 4.570 1.840 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.463 3.312 1.718 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.749 5.040 0.477 1.00 0.21 C ATOM 0 H VAL A 84 11.314 6.053 3.480 1.00 0.15 H new ATOM 0 HA VAL A 84 9.095 6.362 1.765 1.00 0.14 H new ATOM 0 HB VAL A 84 11.143 4.328 2.458 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.054 2.541 1.223 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.175 2.967 2.711 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.567 3.515 1.131 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.303 4.239 -0.013 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.886 5.310 -0.132 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.396 5.909 0.595 1.00 0.21 H new ATOM 553 N VAL A 85 8.557 4.738 4.535 1.00 0.09 N ATOM 554 CA VAL A 85 7.497 4.263 5.392 1.00 0.09 C ATOM 555 C VAL A 85 6.496 5.370 5.717 1.00 0.10 C ATOM 556 O VAL A 85 5.307 5.181 5.530 1.00 0.10 O ATOM 557 CB VAL A 85 8.073 3.642 6.664 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.983 3.414 7.683 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.794 2.356 6.306 1.00 0.11 C ATOM 0 H VAL A 85 9.485 4.716 4.957 1.00 0.09 H new ATOM 0 HA VAL A 85 6.952 3.489 4.852 1.00 0.09 H new ATOM 0 HB VAL A 85 8.792 4.325 7.117 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.412 2.971 8.582 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.516 4.366 7.935 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.233 2.740 7.269 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.208 1.907 7.209 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.092 1.662 5.845 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.601 2.574 5.607 1.00 0.11 H new ATOM 569 N PRO A 86 6.953 6.520 6.232 1.00 0.12 N ATOM 570 CA PRO A 86 6.112 7.706 6.368 1.00 0.14 C ATOM 571 C PRO A 86 5.360 8.036 5.073 1.00 0.14 C ATOM 572 O PRO A 86 4.156 8.234 5.093 1.00 0.18 O ATOM 573 CB PRO A 86 7.086 8.831 6.706 1.00 0.18 C ATOM 574 CG PRO A 86 8.380 8.182 7.075 1.00 0.18 C ATOM 575 CD PRO A 86 8.285 6.712 6.789 1.00 0.14 C ATOM 0 HA PRO A 86 5.344 7.557 7.127 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.217 9.499 5.854 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.708 9.436 7.530 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.199 8.624 6.508 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.597 8.348 8.130 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.056 6.396 6.086 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.421 6.124 7.697 1.00 0.14 H new ATOM 583 N PHE A 87 6.083 8.068 3.953 1.00 0.13 N ATOM 584 CA PHE A 87 5.502 8.296 2.629 1.00 0.14 C ATOM 585 C PHE A 87 4.445 7.241 2.313 1.00 0.12 C ATOM 586 O PHE A 87 3.397 7.542 1.740 1.00 0.12 O ATOM 587 CB PHE A 87 6.643 8.228 1.597 1.00 0.18 C ATOM 588 CG PHE A 87 6.272 8.494 0.161 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.039 9.006 -0.180 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.180 8.220 -0.850 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.711 9.246 -1.500 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.860 8.457 -2.172 1.00 1.01 C ATOM 593 CZ PHE A 87 5.622 8.969 -2.498 1.00 0.69 C ATOM 0 H PHE A 87 7.094 7.936 3.939 1.00 0.13 H new ATOM 0 HA PHE A 87 5.015 9.271 2.599 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.410 8.946 1.889 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.095 7.238 1.654 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.319 9.223 0.596 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.150 7.816 -0.600 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.741 9.650 -1.751 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.578 8.242 -2.949 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.366 9.153 -3.531 1.00 0.69 H new ATOM 603 N LEU A 88 4.695 6.033 2.764 1.00 0.10 N ATOM 604 CA LEU A 88 3.810 4.924 2.518 1.00 0.09 C ATOM 605 C LEU A 88 2.597 5.083 3.385 1.00 0.08 C ATOM 606 O LEU A 88 1.449 5.036 2.931 1.00 0.09 O ATOM 607 CB LEU A 88 4.514 3.632 2.892 1.00 0.09 C ATOM 608 CG LEU A 88 5.044 2.822 1.731 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.878 1.678 2.244 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.899 2.303 0.894 1.00 0.10 C ATOM 0 H LEU A 88 5.521 5.794 3.313 1.00 0.10 H new ATOM 0 HA LEU A 88 3.525 4.897 1.466 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.345 3.870 3.556 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.820 3.011 3.459 1.00 0.09 H new ATOM 0 HG LEU A 88 5.669 3.461 1.107 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.257 1.098 1.403 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.715 2.069 2.822 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.266 1.038 2.879 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.292 1.721 0.060 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.257 1.671 1.507 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.320 3.142 0.509 1.00 0.10 H new ATOM 622 N TYR A 89 2.898 5.303 4.649 1.00 0.08 N ATOM 623 CA TYR A 89 1.926 5.430 5.688 1.00 0.09 C ATOM 624 C TYR A 89 0.969 6.545 5.358 1.00 0.09 C ATOM 625 O TYR A 89 -0.236 6.382 5.378 1.00 0.11 O ATOM 626 CB TYR A 89 2.664 5.792 6.969 1.00 0.10 C ATOM 627 CG TYR A 89 2.368 4.892 8.114 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.084 4.489 8.344 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.366 4.466 8.967 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.769 3.676 9.395 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.078 3.643 10.027 1.00 0.20 C ATOM 632 CZ TYR A 89 1.773 3.248 10.246 1.00 0.22 C ATOM 633 OH TYR A 89 1.475 2.435 11.316 1.00 0.27 O ATOM 0 H TYR A 89 3.858 5.399 4.980 1.00 0.08 H new ATOM 0 HA TYR A 89 1.371 4.498 5.798 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.736 5.775 6.775 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.407 6.814 7.248 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.300 4.821 7.680 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.384 4.784 8.799 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.253 3.370 9.560 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.866 3.307 10.685 1.00 0.20 H new ATOM 0 HH TYR A 89 2.297 2.228 11.809 1.00 0.27 H new ATOM 643 N ASN A 90 1.566 7.668 5.037 1.00 0.09 N ATOM 644 CA ASN A 90 0.876 8.884 4.679 1.00 0.09 C ATOM 645 C ASN A 90 -0.090 8.662 3.537 1.00 0.09 C ATOM 646 O ASN A 90 -1.279 8.929 3.673 1.00 0.10 O ATOM 647 CB ASN A 90 1.930 9.883 4.271 1.00 0.11 C ATOM 648 CG ASN A 90 1.376 11.184 3.788 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.443 11.751 4.356 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.925 11.623 2.691 1.00 0.40 N ATOM 0 H ASN A 90 2.581 7.763 5.017 1.00 0.09 H new ATOM 0 HA ASN A 90 0.290 9.240 5.526 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.586 10.072 5.121 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.545 9.447 3.484 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.583 12.481 2.257 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.697 11.109 2.266 1.00 0.40 H new ATOM 657 N ARG A 91 0.428 8.169 2.412 1.00 0.08 N ATOM 658 CA ARG A 91 -0.396 7.894 1.241 1.00 0.10 C ATOM 659 C ARG A 91 -1.585 7.030 1.623 1.00 0.09 C ATOM 660 O ARG A 91 -2.704 7.264 1.180 1.00 0.11 O ATOM 661 CB ARG A 91 0.429 7.188 0.166 1.00 0.13 C ATOM 662 CG ARG A 91 1.458 8.084 -0.482 1.00 0.16 C ATOM 663 CD ARG A 91 0.795 9.252 -1.176 1.00 0.29 C ATOM 664 NE ARG A 91 1.730 10.361 -1.372 1.00 0.88 N ATOM 665 CZ ARG A 91 1.452 11.474 -2.049 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.245 11.656 -2.574 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.383 12.412 -2.188 1.00 1.64 N ATOM 0 H ARG A 91 1.417 7.952 2.289 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.759 8.843 0.846 1.00 0.10 H new ATOM 0 HB2 ARG A 91 0.933 6.330 0.610 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.242 6.802 -0.602 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.153 8.451 0.273 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.042 7.512 -1.202 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.405 8.929 -2.141 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.056 9.592 -0.586 1.00 0.29 H new ATOM 0 HE ARG A 91 2.660 10.276 -0.961 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.474 10.942 -2.460 1.00 1.35 H new ATOM 0 HH12 ARG A 91 0.037 12.510 -3.091 1.00 1.35 H new ATOM 0 HH21 ARG A 91 3.307 12.278 -1.777 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.174 13.266 -2.706 1.00 1.64 H new ATOM 681 N GLN A 92 -1.321 6.050 2.466 1.00 0.09 N ATOM 682 CA GLN A 92 -2.336 5.104 2.897 1.00 0.12 C ATOM 683 C GLN A 92 -3.305 5.755 3.876 1.00 0.11 C ATOM 684 O GLN A 92 -4.516 5.570 3.787 1.00 0.13 O ATOM 685 CB GLN A 92 -1.656 3.900 3.533 1.00 0.18 C ATOM 686 CG GLN A 92 -2.516 2.659 3.545 1.00 0.35 C ATOM 687 CD GLN A 92 -3.185 2.402 4.879 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.453 3.317 5.652 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.457 1.143 5.151 1.00 0.36 N ATOM 0 H GLN A 92 -0.399 5.886 2.871 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.913 4.778 2.032 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.733 3.687 2.994 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.377 4.149 4.557 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.282 2.750 2.775 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.901 1.798 3.284 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.217 0.413 4.480 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -3.908 0.898 6.033 1.00 0.36 H new ATOM 698 N GLN A 93 -2.752 6.522 4.801 1.00 0.12 N ATOM 699 CA GLN A 93 -3.535 7.233 5.802 1.00 0.14 C ATOM 700 C GLN A 93 -4.486 8.234 5.152 1.00 0.16 C ATOM 701 O GLN A 93 -5.599 8.452 5.631 1.00 0.20 O ATOM 702 CB GLN A 93 -2.604 7.958 6.780 1.00 0.15 C ATOM 703 CG GLN A 93 -1.943 7.050 7.803 1.00 0.15 C ATOM 704 CD GLN A 93 -2.927 6.164 8.533 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.531 6.573 9.523 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.058 4.933 8.076 1.00 0.22 N ATOM 0 H GLN A 93 -1.746 6.670 4.880 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.132 6.500 6.345 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.828 8.471 6.212 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.174 8.724 7.306 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.204 6.426 7.302 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.405 7.661 8.528 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.537 4.637 7.251 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.681 4.277 8.548 1.00 0.22 H new ATOM 715 N ARG A 94 -4.033 8.853 4.070 1.00 0.14 N ATOM 716 CA ARG A 94 -4.831 9.841 3.360 1.00 0.15 C ATOM 717 C ARG A 94 -5.594 9.216 2.195 1.00 0.14 C ATOM 718 O ARG A 94 -6.283 9.906 1.438 1.00 0.19 O ATOM 719 CB ARG A 94 -3.916 10.947 2.873 1.00 0.21 C ATOM 720 CG ARG A 94 -3.000 10.531 1.742 1.00 0.76 C ATOM 721 CD ARG A 94 -1.704 11.321 1.773 1.00 0.64 C ATOM 722 NE ARG A 94 -1.939 12.763 1.789 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.029 13.676 1.463 1.00 1.04 C ATOM 724 NH1 ARG A 94 0.173 13.305 1.034 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.330 14.960 1.556 1.00 1.40 N ATOM 0 H ARG A 94 -3.112 8.686 3.664 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.576 10.251 4.042 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.524 11.790 2.544 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.310 11.298 3.708 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.783 9.466 1.818 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.502 10.686 0.787 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.129 11.038 2.655 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.101 11.062 0.902 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.863 13.091 2.069 1.00 0.86 H new ATOM 0 HH11 ARG A 94 0.402 12.314 0.953 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.866 14.011 0.786 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.256 15.245 1.876 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -0.637 15.666 1.308 1.00 1.40 H new ATOM 739 N ALA A 95 -5.453 7.912 2.047 1.00 0.12 N ATOM 740 CA ALA A 95 -6.188 7.168 1.029 1.00 0.12 C ATOM 741 C ALA A 95 -7.644 7.000 1.439 1.00 0.13 C ATOM 742 O ALA A 95 -8.008 7.222 2.592 1.00 0.17 O ATOM 743 CB ALA A 95 -5.553 5.805 0.779 1.00 0.13 C ATOM 0 H ALA A 95 -4.834 7.339 2.620 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.146 7.739 0.102 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.122 5.273 0.016 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.526 5.939 0.439 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.557 5.227 1.703 1.00 0.13 H new ATOM 749 N HIS A 96 -8.476 6.625 0.481 1.00 0.12 N ATOM 750 CA HIS A 96 -9.891 6.407 0.724 1.00 0.13 C ATOM 751 C HIS A 96 -10.101 5.200 1.613 1.00 0.13 C ATOM 752 O HIS A 96 -9.709 4.096 1.259 1.00 0.12 O ATOM 753 CB HIS A 96 -10.587 6.185 -0.604 1.00 0.14 C ATOM 754 CG HIS A 96 -11.994 6.663 -0.605 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.869 6.290 0.379 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.621 7.495 -1.468 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.002 6.896 0.099 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.903 7.640 -1.010 1.00 0.25 N ATOM 0 H HIS A 96 -8.189 6.464 -0.485 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.306 7.281 1.226 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.033 6.699 -1.389 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.569 5.122 -0.845 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.194 7.955 -2.347 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.901 6.805 0.690 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.640 8.205 -1.432 1.00 0.25 H new ATOM 766 N SER A 97 -10.706 5.428 2.775 1.00 0.16 N ATOM 767 CA SER A 97 -11.078 4.354 3.687 1.00 0.20 C ATOM 768 C SER A 97 -11.858 3.260 2.961 1.00 0.18 C ATOM 769 O SER A 97 -11.698 2.078 3.259 1.00 0.18 O ATOM 770 CB SER A 97 -11.909 4.924 4.837 1.00 0.29 C ATOM 771 OG SER A 97 -11.287 6.080 5.378 1.00 1.32 O ATOM 0 H SER A 97 -10.951 6.360 3.109 1.00 0.16 H new ATOM 0 HA SER A 97 -10.168 3.906 4.085 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.908 5.175 4.481 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.028 4.170 5.615 1.00 0.29 H new ATOM 0 HG SER A 97 -11.833 6.432 6.111 1.00 1.32 H new ATOM 777 N LEU A 98 -12.707 3.659 2.018 1.00 0.18 N ATOM 778 CA LEU A 98 -13.390 2.715 1.142 1.00 0.18 C ATOM 779 C LEU A 98 -12.403 1.886 0.347 1.00 0.15 C ATOM 780 O LEU A 98 -12.515 0.670 0.278 1.00 0.18 O ATOM 781 CB LEU A 98 -14.280 3.465 0.170 1.00 0.21 C ATOM 782 CG LEU A 98 -15.611 3.935 0.729 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.314 4.781 -0.308 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.471 2.749 1.148 1.00 0.61 C ATOM 0 H LEU A 98 -12.939 4.636 1.841 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.984 2.052 1.771 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.734 4.333 -0.199 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.473 2.822 -0.688 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.436 4.539 1.620 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.271 5.121 0.088 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.695 5.644 -0.554 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.484 4.188 -1.207 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.420 3.110 1.545 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.658 2.112 0.284 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.951 2.175 1.915 1.00 0.61 H new ATOM 796 N PHE A 99 -11.426 2.565 -0.226 1.00 0.12 N ATOM 797 CA PHE A 99 -10.427 1.924 -1.070 1.00 0.11 C ATOM 798 C PHE A 99 -9.534 1.027 -0.225 1.00 0.11 C ATOM 799 O PHE A 99 -9.146 -0.065 -0.642 1.00 0.12 O ATOM 800 CB PHE A 99 -9.589 2.978 -1.794 1.00 0.12 C ATOM 801 CG PHE A 99 -8.364 2.421 -2.454 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.480 1.512 -3.484 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.100 2.809 -2.043 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.359 0.992 -4.100 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.974 2.296 -2.652 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.102 1.385 -3.683 1.00 0.18 C ATOM 0 H PHE A 99 -11.300 3.572 -0.122 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.934 1.314 -1.817 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.207 3.467 -2.547 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.290 3.745 -1.080 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.461 1.202 -3.813 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.995 3.521 -1.237 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.465 0.280 -4.905 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.993 2.606 -2.323 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.222 0.981 -4.161 1.00 0.18 H new ATOM 816 N LEU A 100 -9.225 1.498 0.973 1.00 0.12 N ATOM 817 CA LEU A 100 -8.467 0.728 1.942 1.00 0.14 C ATOM 818 C LEU A 100 -9.262 -0.482 2.398 1.00 0.16 C ATOM 819 O LEU A 100 -8.717 -1.407 2.987 1.00 0.21 O ATOM 820 CB LEU A 100 -8.128 1.600 3.142 1.00 0.17 C ATOM 821 CG LEU A 100 -7.382 2.876 2.806 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.519 3.872 3.937 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.930 2.565 2.543 1.00 0.22 C ATOM 0 H LEU A 100 -9.494 2.426 1.300 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.546 0.385 1.471 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -9.052 1.860 3.658 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.527 1.017 3.840 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.812 3.317 1.907 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.979 4.785 3.685 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.573 4.104 4.092 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -7.104 3.445 4.850 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.399 3.486 2.302 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.488 2.113 3.431 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.852 1.871 1.706 1.00 0.22 H new ATOM 835 N ALA A 101 -10.561 -0.462 2.157 1.00 0.16 N ATOM 836 CA ALA A 101 -11.391 -1.627 2.399 1.00 0.19 C ATOM 837 C ALA A 101 -11.841 -2.247 1.090 1.00 0.21 C ATOM 838 O ALA A 101 -12.809 -3.001 1.059 1.00 0.37 O ATOM 839 CB ALA A 101 -12.604 -1.262 3.242 1.00 0.23 C ATOM 0 H ALA A 101 -11.063 0.348 1.794 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.792 -2.355 2.945 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.211 -2.151 3.410 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.274 -0.861 4.200 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.197 -0.511 2.720 1.00 0.23 H new ATOM 845 N SER A 102 -11.152 -1.912 0.009 1.00 0.13 N ATOM 846 CA SER A 102 -11.502 -2.436 -1.299 1.00 0.15 C ATOM 847 C SER A 102 -10.451 -3.424 -1.818 1.00 0.17 C ATOM 848 O SER A 102 -9.245 -3.256 -1.614 1.00 0.25 O ATOM 849 CB SER A 102 -11.695 -1.285 -2.284 1.00 0.18 C ATOM 850 OG SER A 102 -12.852 -0.532 -1.967 1.00 1.40 O ATOM 0 H SER A 102 -10.350 -1.282 0.013 1.00 0.13 H new ATOM 0 HA SER A 102 -12.438 -2.986 -1.202 1.00 0.15 H new ATOM 0 HB2 SER A 102 -10.819 -0.636 -2.267 1.00 0.18 H new ATOM 0 HB3 SER A 102 -11.780 -1.679 -3.297 1.00 0.18 H new ATOM 0 HG SER A 102 -12.850 -0.316 -1.011 1.00 1.40 H new ATOM 856 N ALA A 103 -10.970 -4.479 -2.446 1.00 0.20 N ATOM 857 CA ALA A 103 -10.195 -5.562 -3.041 1.00 0.21 C ATOM 858 C ALA A 103 -9.014 -5.092 -3.870 1.00 0.18 C ATOM 859 O ALA A 103 -7.990 -5.763 -3.894 1.00 0.19 O ATOM 860 CB ALA A 103 -11.102 -6.399 -3.919 1.00 0.27 C ATOM 0 H ALA A 103 -11.976 -4.605 -2.557 1.00 0.20 H new ATOM 0 HA ALA A 103 -9.788 -6.140 -2.211 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.528 -7.210 -4.366 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -11.909 -6.815 -3.316 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.523 -5.775 -4.707 1.00 0.27 H new ATOM 866 N GLU A 104 -9.161 -3.979 -4.579 1.00 0.17 N ATOM 867 CA GLU A 104 -8.092 -3.496 -5.439 1.00 0.17 C ATOM 868 C GLU A 104 -6.826 -3.221 -4.649 1.00 0.14 C ATOM 869 O GLU A 104 -5.735 -3.552 -5.101 1.00 0.14 O ATOM 870 CB GLU A 104 -8.494 -2.246 -6.193 1.00 0.22 C ATOM 871 CG GLU A 104 -7.550 -1.943 -7.333 1.00 0.30 C ATOM 872 CD GLU A 104 -7.848 -0.630 -8.018 1.00 0.97 C ATOM 873 OE1 GLU A 104 -7.759 0.426 -7.351 1.00 1.29 O ATOM 874 OE2 GLU A 104 -8.188 -0.643 -9.215 1.00 1.70 O ATOM 0 H GLU A 104 -10.001 -3.401 -4.575 1.00 0.17 H new ATOM 0 HA GLU A 104 -7.897 -4.289 -6.161 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.505 -2.367 -6.582 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.516 -1.400 -5.506 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.528 -1.925 -6.955 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -7.605 -2.748 -8.065 1.00 0.30 H new ATOM 881 N PHE A 105 -6.953 -2.641 -3.463 1.00 0.13 N ATOM 882 CA PHE A 105 -5.786 -2.364 -2.651 1.00 0.13 C ATOM 883 C PHE A 105 -5.177 -3.679 -2.198 1.00 0.12 C ATOM 884 O PHE A 105 -3.967 -3.812 -2.134 1.00 0.13 O ATOM 885 CB PHE A 105 -6.162 -1.494 -1.445 1.00 0.13 C ATOM 886 CG PHE A 105 -4.969 -0.962 -0.700 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.803 -0.683 -1.384 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.008 -0.743 0.671 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.694 -0.194 -0.723 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.900 -0.252 1.336 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.742 0.021 0.635 1.00 0.14 C ATOM 0 H PHE A 105 -7.842 -2.358 -3.050 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.054 -1.812 -3.241 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.772 -0.657 -1.786 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.777 -2.079 -0.761 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.758 -0.849 -2.450 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.912 -0.958 1.222 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.789 0.020 -1.272 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.940 -0.082 2.402 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.874 0.403 1.153 1.00 0.14 H new ATOM 901 N CYS A 106 -6.034 -4.657 -1.925 1.00 0.13 N ATOM 902 CA CYS A 106 -5.589 -5.995 -1.550 1.00 0.15 C ATOM 903 C CYS A 106 -4.864 -6.638 -2.716 1.00 0.15 C ATOM 904 O CYS A 106 -3.801 -7.231 -2.558 1.00 0.16 O ATOM 905 CB CYS A 106 -6.789 -6.848 -1.125 1.00 0.19 C ATOM 906 SG CYS A 106 -6.418 -8.599 -0.874 1.00 0.29 S ATOM 0 H CYS A 106 -7.048 -4.547 -1.957 1.00 0.13 H new ATOM 0 HA CYS A 106 -4.902 -5.923 -0.707 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.198 -6.441 -0.200 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.567 -6.760 -1.883 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.086 -8.799 0.367 1.00 0.29 H new ATOM 912 N ASN A 107 -5.465 -6.500 -3.884 1.00 0.14 N ATOM 913 CA ASN A 107 -4.881 -6.939 -5.144 1.00 0.16 C ATOM 914 C ASN A 107 -3.472 -6.390 -5.285 1.00 0.15 C ATOM 915 O ASN A 107 -2.507 -7.131 -5.449 1.00 0.17 O ATOM 916 CB ASN A 107 -5.721 -6.401 -6.303 1.00 0.18 C ATOM 917 CG ASN A 107 -6.095 -7.459 -7.319 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.280 -7.861 -8.148 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.349 -7.880 -7.290 1.00 0.34 N ATOM 0 H ASN A 107 -6.386 -6.074 -3.988 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.857 -8.029 -5.159 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.631 -5.953 -5.904 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.168 -5.607 -6.804 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.673 -8.565 -7.973 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.992 -7.520 -6.585 1.00 0.34 H new ATOM 926 N ILE A 108 -3.384 -5.076 -5.177 1.00 0.13 N ATOM 927 CA ILE A 108 -2.147 -4.339 -5.332 1.00 0.13 C ATOM 928 C ILE A 108 -1.163 -4.705 -4.227 1.00 0.11 C ATOM 929 O ILE A 108 0.012 -4.956 -4.483 1.00 0.12 O ATOM 930 CB ILE A 108 -2.478 -2.832 -5.289 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.233 -2.437 -6.560 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.237 -1.980 -5.102 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.047 -1.170 -6.419 1.00 0.17 C ATOM 0 H ILE A 108 -4.188 -4.482 -4.975 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.679 -4.591 -6.284 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.113 -2.648 -4.423 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.517 -2.309 -7.372 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -3.896 -3.254 -6.846 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.519 -0.927 -5.078 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.750 -2.247 -4.164 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.549 -2.153 -5.930 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.553 -0.956 -7.361 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -4.788 -1.300 -5.630 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.388 -0.340 -6.164 1.00 0.17 H new ATOM 945 N LEU A 109 -1.672 -4.749 -3.009 1.00 0.09 N ATOM 946 CA LEU A 109 -0.892 -5.090 -1.833 1.00 0.08 C ATOM 947 C LEU A 109 -0.314 -6.489 -1.914 1.00 0.09 C ATOM 948 O LEU A 109 0.894 -6.679 -1.803 1.00 0.10 O ATOM 949 CB LEU A 109 -1.767 -4.956 -0.605 1.00 0.08 C ATOM 950 CG LEU A 109 -1.754 -3.568 0.006 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.794 -3.457 1.083 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.387 -3.265 0.565 1.00 0.07 C ATOM 0 H LEU A 109 -2.651 -4.546 -2.806 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.049 -4.402 -1.773 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.792 -5.217 -0.870 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.438 -5.676 0.144 1.00 0.08 H new ATOM 0 HG LEU A 109 -1.987 -2.841 -0.772 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.770 -2.454 1.510 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.780 -3.647 0.658 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.588 -4.189 1.864 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.386 -2.266 1.002 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.137 -3.997 1.333 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.352 -3.312 -0.235 1.00 0.07 H new ATOM 964 N SER A 110 -1.180 -7.463 -2.108 1.00 0.10 N ATOM 965 CA SER A 110 -0.756 -8.841 -2.235 1.00 0.12 C ATOM 966 C SER A 110 0.256 -8.964 -3.367 1.00 0.12 C ATOM 967 O SER A 110 1.224 -9.720 -3.274 1.00 0.14 O ATOM 968 CB SER A 110 -1.961 -9.745 -2.475 1.00 0.15 C ATOM 969 OG SER A 110 -1.575 -11.098 -2.628 1.00 1.15 O ATOM 0 H SER A 110 -2.188 -7.323 -2.181 1.00 0.10 H new ATOM 0 HA SER A 110 -0.279 -9.159 -1.308 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.655 -9.656 -1.639 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.493 -9.415 -3.367 1.00 0.15 H new ATOM 0 HG SER A 110 -2.371 -11.650 -2.779 1.00 1.15 H new ATOM 975 N ARG A 111 0.030 -8.192 -4.427 1.00 0.11 N ATOM 976 CA ARG A 111 0.951 -8.124 -5.541 1.00 0.12 C ATOM 977 C ARG A 111 2.306 -7.609 -5.104 1.00 0.11 C ATOM 978 O ARG A 111 3.312 -8.299 -5.242 1.00 0.13 O ATOM 979 CB ARG A 111 0.385 -7.222 -6.635 1.00 0.16 C ATOM 980 CG ARG A 111 -0.525 -7.963 -7.576 1.00 0.26 C ATOM 981 CD ARG A 111 -0.956 -7.117 -8.762 1.00 0.99 C ATOM 982 NE ARG A 111 -1.427 -7.952 -9.868 1.00 1.81 N ATOM 983 CZ ARG A 111 -1.940 -7.477 -11.004 1.00 2.57 C ATOM 984 NH1 ARG A 111 -2.158 -6.178 -11.150 1.00 2.67 N ATOM 985 NH2 ARG A 111 -2.267 -8.312 -11.980 1.00 3.55 N ATOM 0 H ARG A 111 -0.795 -7.601 -4.531 1.00 0.11 H new ATOM 0 HA ARG A 111 1.079 -9.134 -5.931 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.163 -6.399 -6.176 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.207 -6.782 -7.200 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.017 -8.857 -7.938 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.409 -8.297 -7.033 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.749 -6.435 -8.456 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.119 -6.504 -9.097 1.00 0.99 H new ATOM 0 HE ARG A 111 -1.358 -8.964 -9.763 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -1.933 -5.535 -10.391 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -2.551 -5.822 -12.021 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -2.126 -9.315 -11.861 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -2.659 -7.951 -12.850 1.00 3.55 H new ATOM 999 N VAL A 112 2.324 -6.417 -4.536 1.00 0.10 N ATOM 1000 CA VAL A 112 3.582 -5.767 -4.207 1.00 0.10 C ATOM 1001 C VAL A 112 4.334 -6.514 -3.130 1.00 0.11 C ATOM 1002 O VAL A 112 5.530 -6.675 -3.235 1.00 0.12 O ATOM 1003 CB VAL A 112 3.429 -4.296 -3.766 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.181 -3.402 -4.954 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.331 -4.119 -2.744 1.00 0.10 C ATOM 0 H VAL A 112 1.490 -5.882 -4.294 1.00 0.10 H new ATOM 0 HA VAL A 112 4.146 -5.781 -5.140 1.00 0.10 H new ATOM 0 HB VAL A 112 4.369 -4.008 -3.295 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.077 -2.370 -4.618 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.020 -3.475 -5.646 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.267 -3.713 -5.459 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.261 -3.068 -2.464 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.382 -4.445 -3.169 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.557 -4.716 -1.860 1.00 0.10 H new ATOM 1015 N LEU A 113 3.634 -6.967 -2.104 1.00 0.10 N ATOM 1016 CA LEU A 113 4.268 -7.704 -1.021 1.00 0.11 C ATOM 1017 C LEU A 113 4.991 -8.939 -1.530 1.00 0.12 C ATOM 1018 O LEU A 113 6.175 -9.151 -1.256 1.00 0.14 O ATOM 1019 CB LEU A 113 3.233 -8.108 0.017 1.00 0.11 C ATOM 1020 CG LEU A 113 3.177 -7.160 1.188 1.00 0.12 C ATOM 1021 CD1 LEU A 113 2.024 -6.192 1.026 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.091 -7.921 2.491 1.00 0.28 C ATOM 0 H LEU A 113 2.628 -6.838 -1.997 1.00 0.10 H new ATOM 0 HA LEU A 113 5.006 -7.044 -0.564 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.251 -8.154 -0.455 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.460 -9.111 0.378 1.00 0.11 H new ATOM 0 HG LEU A 113 4.099 -6.578 1.213 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.996 -5.514 1.879 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.157 -5.617 0.109 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.088 -6.747 0.973 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.052 -7.217 3.322 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.191 -8.536 2.494 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.968 -8.560 2.598 1.00 0.28 H new ATOM 1034 N SER A 114 4.256 -9.738 -2.266 1.00 0.13 N ATOM 1035 CA SER A 114 4.782 -10.970 -2.848 1.00 0.15 C ATOM 1036 C SER A 114 5.955 -10.670 -3.772 1.00 0.15 C ATOM 1037 O SER A 114 6.976 -11.363 -3.747 1.00 0.17 O ATOM 1038 CB SER A 114 3.684 -11.714 -3.609 1.00 0.17 C ATOM 1039 OG SER A 114 2.564 -11.962 -2.772 1.00 1.00 O ATOM 0 H SER A 114 3.275 -9.561 -2.484 1.00 0.13 H new ATOM 0 HA SER A 114 5.136 -11.606 -2.037 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.374 -11.127 -4.473 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.075 -12.658 -3.989 1.00 0.17 H new ATOM 0 HG SER A 114 2.011 -11.155 -2.717 1.00 1.00 H new ATOM 1045 N ARG A 115 5.810 -9.623 -4.573 1.00 0.13 N ATOM 1046 CA ARG A 115 6.871 -9.186 -5.459 1.00 0.14 C ATOM 1047 C ARG A 115 8.040 -8.627 -4.655 1.00 0.14 C ATOM 1048 O ARG A 115 9.186 -8.844 -4.989 1.00 0.18 O ATOM 1049 CB ARG A 115 6.337 -8.122 -6.414 1.00 0.17 C ATOM 1050 CG ARG A 115 5.301 -8.636 -7.395 1.00 0.24 C ATOM 1051 CD ARG A 115 4.690 -7.488 -8.175 1.00 0.35 C ATOM 1052 NE ARG A 115 3.666 -7.928 -9.122 1.00 0.84 N ATOM 1053 CZ ARG A 115 2.858 -7.092 -9.776 1.00 1.19 C ATOM 1054 NH1 ARG A 115 2.953 -5.783 -9.576 1.00 1.20 N ATOM 1055 NH2 ARG A 115 1.954 -7.564 -10.623 1.00 1.83 N ATOM 0 H ARG A 115 4.961 -9.060 -4.624 1.00 0.13 H new ATOM 0 HA ARG A 115 7.225 -10.042 -6.034 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.899 -7.312 -5.831 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.172 -7.698 -6.972 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.763 -9.345 -8.082 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.520 -9.175 -6.859 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.251 -6.774 -7.478 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.477 -6.963 -8.716 1.00 0.35 H new ATOM 0 HE ARG A 115 3.564 -8.929 -9.292 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.644 -5.416 -8.922 1.00 1.20 H new ATOM 0 HH12 ARG A 115 2.335 -5.144 -10.076 1.00 1.20 H new ATOM 0 HH21 ARG A 115 1.875 -8.569 -10.776 1.00 1.83 H new ATOM 0 HH22 ARG A 115 1.338 -6.922 -11.121 1.00 1.83 H new ATOM 1069 N ALA A 116 7.720 -7.907 -3.596 1.00 0.13 N ATOM 1070 CA ALA A 116 8.725 -7.233 -2.764 1.00 0.14 C ATOM 1071 C ALA A 116 9.639 -8.223 -2.048 1.00 0.16 C ATOM 1072 O ALA A 116 10.832 -7.980 -1.889 1.00 0.18 O ATOM 1073 CB ALA A 116 8.036 -6.317 -1.766 1.00 0.15 C ATOM 0 H ALA A 116 6.760 -7.767 -3.281 1.00 0.13 H new ATOM 0 HA ALA A 116 9.359 -6.639 -3.422 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.786 -5.819 -1.151 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.452 -5.569 -2.302 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.376 -6.905 -1.128 1.00 0.15 H new ATOM 1079 N ARG A 117 9.076 -9.335 -1.610 1.00 0.19 N ATOM 1080 CA ARG A 117 9.859 -10.376 -0.967 1.00 0.24 C ATOM 1081 C ARG A 117 10.761 -11.074 -1.967 1.00 0.26 C ATOM 1082 O ARG A 117 11.819 -11.598 -1.622 1.00 0.32 O ATOM 1083 CB ARG A 117 8.943 -11.387 -0.301 1.00 0.28 C ATOM 1084 CG ARG A 117 8.702 -11.080 1.154 1.00 0.61 C ATOM 1085 CD ARG A 117 7.335 -10.468 1.416 1.00 0.34 C ATOM 1086 NE ARG A 117 6.952 -10.627 2.817 1.00 1.22 N ATOM 1087 CZ ARG A 117 6.541 -9.643 3.611 1.00 1.38 C ATOM 1088 NH1 ARG A 117 6.457 -8.397 3.158 1.00 1.30 N ATOM 1089 NH2 ARG A 117 6.219 -9.907 4.868 1.00 2.33 N ATOM 0 H ARG A 117 8.080 -9.541 -1.688 1.00 0.19 H new ATOM 0 HA ARG A 117 10.486 -9.907 -0.208 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.988 -11.409 -0.827 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.379 -12.382 -0.391 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.800 -11.998 1.734 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.474 -10.396 1.507 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.351 -9.409 1.157 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.591 -10.942 0.776 1.00 0.34 H new ATOM 0 HE ARG A 117 7.004 -11.564 3.216 1.00 1.22 H new ATOM 0 HH11 ARG A 117 6.709 -8.187 2.192 1.00 1.30 H new ATOM 0 HH12 ARG A 117 6.140 -7.650 3.776 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.287 -10.861 5.222 1.00 2.33 H new ATOM 0 HH22 ARG A 117 5.903 -9.156 5.482 1.00 2.33 H new ATOM 1103 N SER A 118 10.327 -11.063 -3.204 1.00 0.26 N ATOM 1104 CA SER A 118 11.029 -11.699 -4.284 1.00 0.31 C ATOM 1105 C SER A 118 12.021 -10.745 -4.928 1.00 0.28 C ATOM 1106 O SER A 118 13.102 -11.138 -5.371 1.00 0.32 O ATOM 1107 CB SER A 118 9.994 -12.128 -5.292 1.00 0.37 C ATOM 1108 OG SER A 118 8.994 -12.944 -4.693 1.00 0.68 O ATOM 0 H SER A 118 9.462 -10.604 -3.489 1.00 0.26 H new ATOM 0 HA SER A 118 11.597 -12.553 -3.914 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.530 -11.248 -5.736 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.477 -12.676 -6.101 1.00 0.37 H new ATOM 0 HG SER A 118 8.203 -12.400 -4.496 1.00 0.68 H new ATOM 1114 N ARG A 119 11.626 -9.495 -4.978 1.00 0.23 N ATOM 1115 CA ARG A 119 12.417 -8.439 -5.561 1.00 0.20 C ATOM 1116 C ARG A 119 12.504 -7.256 -4.626 1.00 0.18 C ATOM 1117 O ARG A 119 11.855 -6.233 -4.839 1.00 0.17 O ATOM 1118 CB ARG A 119 11.805 -7.998 -6.880 1.00 0.25 C ATOM 1119 CG ARG A 119 12.275 -8.815 -8.051 1.00 0.33 C ATOM 1120 CD ARG A 119 13.598 -8.276 -8.565 1.00 0.33 C ATOM 1121 NE ARG A 119 14.192 -9.120 -9.590 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.497 -9.153 -9.851 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.345 -8.478 -9.081 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.952 -9.871 -10.869 1.00 1.19 N ATOM 0 H ARG A 119 10.730 -9.178 -4.608 1.00 0.23 H new ATOM 0 HA ARG A 119 13.422 -8.823 -5.736 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.719 -8.065 -6.810 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.049 -6.950 -7.054 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.389 -9.858 -7.755 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.529 -8.789 -8.846 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.445 -7.275 -8.969 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.294 -8.180 -7.732 1.00 0.33 H new ATOM 0 HE ARG A 119 13.575 -9.719 -10.139 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.996 -7.936 -8.291 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.345 -8.503 -9.280 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.302 -10.398 -11.452 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.952 -9.896 -11.069 1.00 1.19 H new ATOM 1138 N PRO A 120 13.309 -7.376 -3.577 1.00 0.19 N ATOM 1139 CA PRO A 120 13.515 -6.297 -2.616 1.00 0.19 C ATOM 1140 C PRO A 120 14.237 -5.102 -3.236 1.00 0.20 C ATOM 1141 O PRO A 120 14.314 -4.032 -2.636 1.00 0.21 O ATOM 1142 CB PRO A 120 14.356 -6.960 -1.536 1.00 0.23 C ATOM 1143 CG PRO A 120 15.080 -8.031 -2.256 1.00 0.25 C ATOM 1144 CD PRO A 120 14.073 -8.581 -3.212 1.00 0.22 C ATOM 0 HA PRO A 120 12.580 -5.881 -2.241 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.045 -6.252 -1.075 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.734 -7.365 -0.738 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.952 -7.639 -2.779 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.438 -8.799 -1.570 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.544 -9.044 -4.079 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.442 -9.340 -2.749 1.00 0.22 H new ATOM 1152 N ALA A 121 14.758 -5.287 -4.449 1.00 0.20 N ATOM 1153 CA ALA A 121 15.335 -4.178 -5.196 1.00 0.22 C ATOM 1154 C ALA A 121 14.215 -3.370 -5.818 1.00 0.19 C ATOM 1155 O ALA A 121 14.258 -2.142 -5.882 1.00 0.21 O ATOM 1156 CB ALA A 121 16.270 -4.677 -6.280 1.00 0.25 C ATOM 0 H ALA A 121 14.791 -6.187 -4.929 1.00 0.20 H new ATOM 0 HA ALA A 121 15.914 -3.557 -4.513 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.686 -3.827 -6.821 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.079 -5.250 -5.827 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.718 -5.313 -6.972 1.00 0.25 H new ATOM 1162 N LYS A 122 13.196 -4.093 -6.253 1.00 0.16 N ATOM 1163 CA LYS A 122 12.032 -3.489 -6.865 1.00 0.16 C ATOM 1164 C LYS A 122 11.052 -3.021 -5.805 1.00 0.11 C ATOM 1165 O LYS A 122 9.975 -2.539 -6.127 1.00 0.11 O ATOM 1166 CB LYS A 122 11.351 -4.456 -7.818 1.00 0.20 C ATOM 1167 CG LYS A 122 12.228 -4.829 -8.985 1.00 0.27 C ATOM 1168 CD LYS A 122 11.456 -4.889 -10.281 1.00 0.41 C ATOM 1169 CE LYS A 122 10.311 -5.863 -10.189 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.419 -5.802 -11.374 1.00 1.07 N ATOM 0 H LYS A 122 13.156 -5.110 -6.191 1.00 0.16 H new ATOM 0 HA LYS A 122 12.368 -2.625 -7.438 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.070 -5.359 -7.275 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.429 -4.007 -8.189 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.035 -4.102 -9.078 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.691 -5.797 -8.795 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.075 -3.898 -10.526 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.123 -5.183 -11.091 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.705 -6.874 -10.086 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.731 -5.654 -9.290 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.647 -6.490 -11.263 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.020 -4.845 -11.459 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 9.964 -6.028 -12.231 1.00 1.07 H new ATOM 1184 N LEU A 123 11.410 -3.208 -4.536 1.00 0.10 N ATOM 1185 CA LEU A 123 10.633 -2.684 -3.427 1.00 0.08 C ATOM 1186 C LEU A 123 10.216 -1.241 -3.660 1.00 0.08 C ATOM 1187 O LEU A 123 9.075 -0.893 -3.430 1.00 0.13 O ATOM 1188 CB LEU A 123 11.435 -2.781 -2.145 1.00 0.12 C ATOM 1189 CG LEU A 123 10.729 -2.249 -0.909 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.408 -2.958 -0.700 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.613 -2.412 0.297 1.00 0.23 C ATOM 0 H LEU A 123 12.243 -3.725 -4.254 1.00 0.10 H new ATOM 0 HA LEU A 123 9.727 -3.285 -3.346 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.697 -3.825 -1.975 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.369 -2.235 -2.276 1.00 0.12 H new ATOM 0 HG LEU A 123 10.523 -1.188 -1.054 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.919 -2.562 0.190 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.768 -2.798 -1.567 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.585 -4.026 -0.572 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.100 -2.028 1.179 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.841 -3.468 0.441 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.539 -1.858 0.147 1.00 0.23 H new ATOM 1203 N TYR A 124 11.132 -0.412 -4.137 1.00 0.11 N ATOM 1204 CA TYR A 124 10.826 0.952 -4.463 1.00 0.10 C ATOM 1205 C TYR A 124 9.772 1.035 -5.543 1.00 0.11 C ATOM 1206 O TYR A 124 8.935 1.917 -5.515 1.00 0.14 O ATOM 1207 CB TYR A 124 12.107 1.647 -4.878 1.00 0.14 C ATOM 1208 CG TYR A 124 13.040 1.695 -3.718 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.520 1.981 -2.489 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.396 1.445 -3.827 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.300 2.028 -1.373 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.207 1.487 -2.712 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.654 1.783 -1.480 1.00 1.45 C ATOM 1214 OH TYR A 124 15.452 1.824 -0.360 1.00 1.89 O ATOM 0 H TYR A 124 12.103 -0.675 -4.305 1.00 0.11 H new ATOM 0 HA TYR A 124 10.411 1.454 -3.589 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.570 1.115 -5.710 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.890 2.657 -5.227 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.461 2.175 -2.399 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.823 1.215 -4.792 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.862 2.255 -0.412 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.265 1.290 -2.801 1.00 1.74 H new ATOM 0 HH TYR A 124 16.379 1.628 -0.611 1.00 1.89 H new ATOM 1224 N VAL A 125 9.761 0.078 -6.446 1.00 0.10 N ATOM 1225 CA VAL A 125 8.763 0.056 -7.498 1.00 0.12 C ATOM 1226 C VAL A 125 7.406 -0.124 -6.861 1.00 0.11 C ATOM 1227 O VAL A 125 6.431 0.533 -7.200 1.00 0.14 O ATOM 1228 CB VAL A 125 8.991 -1.125 -8.449 1.00 0.15 C ATOM 1229 CG1 VAL A 125 7.975 -1.114 -9.558 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.397 -1.121 -9.001 1.00 0.18 C ATOM 0 H VAL A 125 10.428 -0.693 -6.475 1.00 0.10 H new ATOM 0 HA VAL A 125 8.829 0.988 -8.060 1.00 0.12 H new ATOM 0 HB VAL A 125 8.865 -2.046 -7.879 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.153 -1.959 -10.223 1.00 0.20 H new ATOM 0 HG12 VAL A 125 6.973 -1.190 -9.135 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.061 -0.185 -10.121 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.527 -1.970 -9.672 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.570 -0.195 -9.550 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.110 -1.194 -8.180 1.00 0.18 H new ATOM 1240 N TYR A 126 7.405 -1.024 -5.907 1.00 0.07 N ATOM 1241 CA TYR A 126 6.226 -1.429 -5.166 1.00 0.08 C ATOM 1242 C TYR A 126 5.797 -0.347 -4.189 1.00 0.08 C ATOM 1243 O TYR A 126 4.613 -0.039 -4.065 1.00 0.10 O ATOM 1244 CB TYR A 126 6.588 -2.715 -4.437 1.00 0.11 C ATOM 1245 CG TYR A 126 7.191 -3.746 -5.357 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.771 -3.866 -6.678 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.192 -4.585 -4.911 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.338 -4.798 -7.522 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.759 -5.524 -5.750 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.329 -5.625 -7.049 1.00 0.28 C ATOM 1251 OH TYR A 126 8.881 -6.567 -7.878 1.00 0.36 O ATOM 0 H TYR A 126 8.251 -1.513 -5.613 1.00 0.07 H new ATOM 0 HA TYR A 126 5.382 -1.590 -5.837 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.293 -2.490 -3.636 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.695 -3.128 -3.969 1.00 0.11 H new ATOM 0 HD1 TYR A 126 5.989 -3.220 -7.048 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.537 -4.506 -3.891 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.006 -4.877 -8.547 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.538 -6.177 -5.385 1.00 0.27 H new ATOM 0 HH TYR A 126 8.246 -6.787 -8.591 1.00 0.36 H new ATOM 1261 N ILE A 127 6.770 0.214 -3.495 1.00 0.08 N ATOM 1262 CA ILE A 127 6.560 1.352 -2.622 1.00 0.11 C ATOM 1263 C ILE A 127 5.952 2.495 -3.402 1.00 0.12 C ATOM 1264 O ILE A 127 4.877 2.988 -3.068 1.00 0.14 O ATOM 1265 CB ILE A 127 7.899 1.801 -2.012 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.397 0.759 -1.023 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.782 3.157 -1.345 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.866 0.891 -0.731 1.00 0.13 C ATOM 0 H ILE A 127 7.736 -0.111 -3.522 1.00 0.08 H new ATOM 0 HA ILE A 127 5.880 1.060 -1.822 1.00 0.11 H new ATOM 0 HB ILE A 127 8.622 1.897 -2.822 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.836 0.850 -0.093 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.198 -0.237 -1.419 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.747 3.441 -0.926 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.474 3.899 -2.081 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.041 3.107 -0.548 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.166 0.122 -0.019 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.433 0.772 -1.654 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.066 1.875 -0.307 1.00 0.13 H new ATOM 1280 N ASN A 128 6.643 2.890 -4.460 1.00 0.12 N ATOM 1281 CA ASN A 128 6.161 3.951 -5.324 1.00 0.15 C ATOM 1282 C ASN A 128 4.823 3.574 -5.944 1.00 0.12 C ATOM 1283 O ASN A 128 3.954 4.426 -6.098 1.00 0.12 O ATOM 1284 CB ASN A 128 7.180 4.278 -6.418 1.00 0.20 C ATOM 1285 CG ASN A 128 8.368 5.084 -5.906 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.334 6.315 -5.879 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.426 4.392 -5.508 1.00 0.42 N ATOM 0 H ASN A 128 7.539 2.491 -4.739 1.00 0.12 H new ATOM 0 HA ASN A 128 6.022 4.842 -4.711 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.542 3.349 -6.859 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.685 4.836 -7.212 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.253 4.879 -5.163 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.413 3.373 -5.547 1.00 0.42 H new ATOM 1294 N GLU A 129 4.658 2.298 -6.289 1.00 0.11 N ATOM 1295 CA GLU A 129 3.398 1.786 -6.807 1.00 0.10 C ATOM 1296 C GLU A 129 2.266 2.070 -5.856 1.00 0.09 C ATOM 1297 O GLU A 129 1.319 2.759 -6.192 1.00 0.14 O ATOM 1298 CB GLU A 129 3.469 0.282 -6.998 1.00 0.14 C ATOM 1299 CG GLU A 129 2.930 -0.172 -8.325 1.00 0.26 C ATOM 1300 CD GLU A 129 1.593 0.430 -8.693 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.575 1.558 -9.235 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.560 -0.238 -8.488 1.00 1.55 O ATOM 0 H GLU A 129 5.393 1.595 -6.216 1.00 0.11 H new ATOM 0 HA GLU A 129 3.220 2.284 -7.760 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.506 -0.041 -6.904 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.910 -0.206 -6.200 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.653 0.076 -9.102 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.835 -1.258 -8.313 1.00 0.26 H new ATOM 1309 N LEU A 130 2.412 1.551 -4.660 1.00 0.07 N ATOM 1310 CA LEU A 130 1.387 1.609 -3.650 1.00 0.08 C ATOM 1311 C LEU A 130 1.116 3.052 -3.285 1.00 0.09 C ATOM 1312 O LEU A 130 -0.027 3.464 -3.129 1.00 0.10 O ATOM 1313 CB LEU A 130 1.852 0.838 -2.429 1.00 0.08 C ATOM 1314 CG LEU A 130 0.737 0.229 -1.609 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.091 -0.910 -2.365 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.272 -0.242 -0.276 1.00 0.08 C ATOM 0 H LEU A 130 3.259 1.070 -4.359 1.00 0.07 H new ATOM 0 HA LEU A 130 0.466 1.164 -4.028 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.524 0.043 -2.751 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.431 1.506 -1.792 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.024 0.988 -1.425 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.710 -1.339 -1.762 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.320 -0.537 -3.303 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.837 -1.676 -2.575 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.462 -0.679 0.307 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.047 -0.991 -0.439 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.694 0.604 0.266 1.00 0.08 H new ATOM 1328 N CYS A 131 2.187 3.813 -3.181 1.00 0.11 N ATOM 1329 CA CYS A 131 2.105 5.226 -2.921 1.00 0.13 C ATOM 1330 C CYS A 131 1.334 5.930 -4.037 1.00 0.13 C ATOM 1331 O CYS A 131 0.503 6.799 -3.779 1.00 0.14 O ATOM 1332 CB CYS A 131 3.520 5.771 -2.801 1.00 0.18 C ATOM 1333 SG CYS A 131 4.365 5.293 -1.276 1.00 1.39 S ATOM 0 H CYS A 131 3.140 3.462 -3.276 1.00 0.11 H new ATOM 0 HA CYS A 131 1.566 5.408 -1.991 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.105 5.424 -3.653 1.00 0.18 H new ATOM 0 HB3 CYS A 131 3.486 6.859 -2.860 1.00 0.18 H new ATOM 0 HG CYS A 131 4.933 4.135 -1.439 1.00 1.39 H new ATOM 1339 N THR A 132 1.609 5.531 -5.274 1.00 0.12 N ATOM 1340 CA THR A 132 0.891 6.049 -6.435 1.00 0.14 C ATOM 1341 C THR A 132 -0.558 5.580 -6.406 1.00 0.11 C ATOM 1342 O THR A 132 -1.471 6.348 -6.657 1.00 0.15 O ATOM 1343 CB THR A 132 1.550 5.600 -7.753 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.900 6.075 -7.810 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.779 6.106 -8.964 1.00 0.24 C ATOM 0 H THR A 132 2.329 4.845 -5.500 1.00 0.12 H new ATOM 0 HA THR A 132 0.927 7.137 -6.388 1.00 0.14 H new ATOM 0 HB THR A 132 1.541 4.510 -7.776 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.486 5.454 -7.330 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.273 5.770 -9.876 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.238 5.715 -8.937 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.750 7.195 -8.947 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.739 4.306 -6.111 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.045 3.707 -5.883 1.00 0.07 C ATOM 1355 C VAL A 133 -2.889 4.523 -4.909 1.00 0.07 C ATOM 1356 O VAL A 133 -4.052 4.827 -5.170 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.849 2.285 -5.336 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.100 1.740 -4.687 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.385 1.357 -6.439 1.00 0.10 C ATOM 0 H VAL A 133 0.032 3.644 -6.021 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.580 3.683 -6.832 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.083 2.341 -4.563 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.909 0.733 -4.317 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.388 2.383 -3.856 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.907 1.710 -5.420 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.250 0.353 -6.037 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.132 1.333 -7.232 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.438 1.716 -6.843 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.287 4.883 -3.796 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.969 5.627 -2.751 1.00 0.11 C ATOM 1371 C LEU A 134 -3.144 7.086 -3.159 1.00 0.14 C ATOM 1372 O LEU A 134 -4.078 7.757 -2.734 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.165 5.513 -1.469 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.900 4.080 -1.010 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.802 4.053 0.038 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.174 3.445 -0.475 1.00 0.16 C ATOM 0 H LEU A 134 -1.312 4.670 -3.587 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.964 5.211 -2.591 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.209 6.018 -1.609 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.693 6.043 -0.676 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.566 3.498 -1.869 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.626 3.025 0.354 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.114 4.465 -0.385 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.105 4.650 0.898 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.965 2.425 -0.153 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.541 4.024 0.372 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.930 3.430 -1.260 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.230 7.562 -3.990 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.308 8.849 -4.590 1.00 0.17 C ATOM 1390 C LYS A 135 -3.461 8.851 -5.584 1.00 0.15 C ATOM 1391 O LYS A 135 -4.195 9.829 -5.717 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.969 9.080 -5.292 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.660 10.516 -5.580 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.558 11.073 -6.663 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.289 10.422 -8.011 1.00 1.32 C ATOM 1396 NZ LYS A 135 -2.193 10.946 -9.066 1.00 1.82 N ATOM 0 H LYS A 135 -1.399 7.036 -4.261 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.490 9.641 -3.864 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.172 8.667 -4.673 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -0.964 8.525 -6.230 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.779 11.104 -4.670 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.382 10.610 -5.886 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.601 10.917 -6.386 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.406 12.149 -6.743 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -0.253 10.598 -8.300 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -1.417 9.343 -7.926 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.979 10.478 -9.970 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -3.181 10.755 -8.803 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -2.053 11.972 -9.165 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.631 7.711 -6.238 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.589 7.552 -7.301 1.00 0.14 C ATOM 1412 C ALA A 136 -5.986 7.379 -6.736 1.00 0.16 C ATOM 1413 O ALA A 136 -6.953 7.961 -7.230 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.198 6.340 -8.140 1.00 0.17 C ATOM 0 H ALA A 136 -3.097 6.866 -6.036 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.590 8.444 -7.927 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -4.917 6.210 -8.949 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.204 6.493 -8.560 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.193 5.449 -7.512 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.071 6.592 -5.678 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.344 6.216 -5.092 1.00 0.23 C ATOM 1422 C HIS A 137 -7.458 6.790 -3.689 1.00 0.24 C ATOM 1423 O HIS A 137 -7.883 6.119 -2.747 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.474 4.693 -5.073 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.114 4.065 -6.384 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.615 4.505 -7.586 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.239 3.080 -6.686 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.062 3.822 -8.565 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.224 2.947 -8.050 1.00 0.34 N ATOM 0 H HIS A 137 -5.260 6.196 -5.202 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.156 6.623 -5.694 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.831 4.287 -4.292 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.498 4.423 -4.815 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -5.658 2.503 -5.981 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.262 3.957 -9.618 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -5.659 2.282 -8.577 1.00 0.34 H new ATOM 1438 N SER A 138 -7.057 8.041 -3.568 1.00 0.26 N ATOM 1439 CA SER A 138 -7.163 8.769 -2.334 1.00 0.30 C ATOM 1440 C SER A 138 -8.608 9.183 -2.101 1.00 0.36 C ATOM 1441 O SER A 138 -9.402 9.261 -3.038 1.00 0.56 O ATOM 1442 CB SER A 138 -6.266 10.000 -2.422 1.00 0.40 C ATOM 1443 OG SER A 138 -6.128 10.434 -3.768 1.00 1.23 O ATOM 0 H SER A 138 -6.647 8.577 -4.332 1.00 0.26 H new ATOM 0 HA SER A 138 -6.848 8.143 -1.499 1.00 0.30 H new ATOM 0 HB2 SER A 138 -6.686 10.804 -1.818 1.00 0.40 H new ATOM 0 HB3 SER A 138 -5.284 9.770 -2.008 1.00 0.40 H new ATOM 0 HG SER A 138 -5.339 10.012 -4.168 1.00 1.23 H new ATOM 1449 N ALA A 139 -8.946 9.464 -0.850 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.274 9.929 -0.483 1.00 0.34 C ATOM 1451 C ALA A 139 -10.480 11.378 -0.912 1.00 0.72 C ATOM 1452 O ALA A 139 -11.476 12.009 -0.549 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.475 9.766 1.012 1.00 0.26 C ATOM 0 H ALA A 139 -8.306 9.375 -0.061 1.00 0.26 H new ATOM 0 HA ALA A 139 -11.018 9.326 -1.004 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.471 10.115 1.285 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.373 8.715 1.280 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -9.726 10.351 1.546 1.00 0.26 H new ATOM 1459 N LYS A 140 -9.496 11.885 -1.665 1.00 1.04 N ATOM 1460 CA LYS A 140 -9.418 13.278 -2.091 1.00 1.45 C ATOM 1461 C LYS A 140 -8.940 14.164 -0.956 1.00 1.34 C ATOM 1462 O LYS A 140 -9.728 14.825 -0.289 1.00 1.80 O ATOM 1463 CB LYS A 140 -10.741 13.776 -2.689 1.00 2.25 C ATOM 1464 CG LYS A 140 -11.166 12.996 -3.925 1.00 3.01 C ATOM 1465 CD LYS A 140 -10.011 12.840 -4.903 1.00 3.61 C ATOM 1466 CE LYS A 140 -10.402 12.018 -6.122 1.00 4.40 C ATOM 1467 NZ LYS A 140 -11.429 12.700 -6.950 1.00 4.94 N ATOM 0 H LYS A 140 -8.716 11.320 -2.000 1.00 1.04 H new ATOM 0 HA LYS A 140 -8.680 13.335 -2.891 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -11.524 13.705 -1.934 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -10.642 14.830 -2.948 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -11.531 12.012 -3.629 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -11.994 13.509 -4.415 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -9.672 13.825 -5.224 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -9.171 12.363 -4.398 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -9.517 11.826 -6.728 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -10.783 11.049 -5.798 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -11.579 12.163 -7.828 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -12.322 12.754 -6.420 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -11.106 13.661 -7.182 1.00 4.94 H new ATOM 1481 N LYS A 141 -7.627 14.091 -0.734 1.00 1.51 N ATOM 1482 CA LYS A 141 -6.889 14.930 0.215 1.00 2.10 C ATOM 1483 C LYS A 141 -7.521 16.305 0.406 1.00 2.90 C ATOM 1484 O LYS A 141 -7.686 17.069 -0.549 1.00 3.44 O ATOM 1485 CB LYS A 141 -5.442 15.126 -0.276 1.00 2.17 C ATOM 1486 CG LYS A 141 -4.731 13.862 -0.770 1.00 2.04 C ATOM 1487 CD LYS A 141 -5.212 13.425 -2.154 1.00 2.31 C ATOM 1488 CE LYS A 141 -5.184 14.563 -3.171 1.00 3.03 C ATOM 1489 NZ LYS A 141 -3.810 15.059 -3.429 1.00 3.84 N ATOM 0 H LYS A 141 -7.028 13.426 -1.224 1.00 1.51 H new ATOM 0 HA LYS A 141 -6.914 14.410 1.173 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -5.448 15.857 -1.085 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -4.857 15.555 0.537 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -3.656 14.042 -0.802 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -4.898 13.053 -0.058 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -4.585 12.608 -2.511 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -6.228 13.037 -2.076 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -5.625 14.221 -4.107 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -5.802 15.385 -2.809 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -3.844 15.830 -4.126 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -3.396 15.411 -2.542 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -3.225 14.283 -3.800 1.00 3.84 H new ATOM 1503 N LYS A 142 -7.853 16.615 1.648 1.00 3.43 N ATOM 1504 CA LYS A 142 -8.451 17.894 1.983 1.00 4.37 C ATOM 1505 C LYS A 142 -7.606 18.623 3.001 1.00 4.96 C ATOM 1506 O LYS A 142 -6.919 18.005 3.816 1.00 5.45 O ATOM 1507 CB LYS A 142 -9.845 17.711 2.568 1.00 5.00 C ATOM 1508 CG LYS A 142 -10.820 17.014 1.652 1.00 5.31 C ATOM 1509 CD LYS A 142 -11.078 17.817 0.385 1.00 5.43 C ATOM 1510 CE LYS A 142 -11.974 17.062 -0.586 1.00 6.16 C ATOM 1511 NZ LYS A 142 -13.278 16.700 0.027 1.00 6.56 N ATOM 0 H LYS A 142 -7.717 15.993 2.445 1.00 3.43 H new ATOM 0 HA LYS A 142 -8.513 18.472 1.061 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -9.765 17.142 3.494 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -10.247 18.690 2.829 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -10.430 16.031 1.386 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -11.761 16.852 2.178 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -11.543 18.768 0.645 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -10.129 18.048 -0.099 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -12.147 17.674 -1.471 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -11.466 16.157 -0.919 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -13.914 16.325 -0.706 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -13.129 15.976 0.759 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -13.706 17.545 0.458 1.00 6.56 H new ATOM 1525 N LEU A 143 -7.654 19.935 2.945 1.00 5.33 N ATOM 1526 CA LEU A 143 -7.072 20.757 3.982 1.00 6.23 C ATOM 1527 C LEU A 143 -8.056 20.924 5.135 1.00 7.01 C ATOM 1528 O LEU A 143 -8.368 22.043 5.543 1.00 7.76 O ATOM 1529 CB LEU A 143 -6.649 22.126 3.427 1.00 6.61 C ATOM 1530 CG LEU A 143 -5.403 22.126 2.530 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -4.263 21.377 3.201 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -5.706 21.539 1.157 1.00 6.92 C ATOM 0 H LEU A 143 -8.093 20.458 2.187 1.00 5.33 H new ATOM 0 HA LEU A 143 -6.178 20.257 4.355 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -7.482 22.540 2.860 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -6.470 22.798 4.266 1.00 6.61 H new ATOM 0 HG LEU A 143 -5.096 23.161 2.383 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -3.388 21.387 2.551 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -4.018 21.860 4.147 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -4.565 20.346 3.387 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -4.803 21.554 0.547 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -6.051 20.511 1.269 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -6.481 22.131 0.671 1.00 6.92 H new ATOM 1544 N ASN A 144 -8.547 19.804 5.659 1.00 7.08 N ATOM 1545 CA ASN A 144 -9.418 19.831 6.825 1.00 8.03 C ATOM 1546 C ASN A 144 -9.101 18.631 7.708 1.00 8.20 C ATOM 1547 O ASN A 144 -8.873 18.827 8.916 1.00 8.61 O ATOM 1548 CB ASN A 144 -10.910 19.864 6.438 1.00 8.72 C ATOM 1549 CG ASN A 144 -11.524 18.494 6.200 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -11.504 17.971 5.086 1.00 9.46 O ATOM 1551 ND2 ASN A 144 -12.098 17.908 7.243 1.00 9.73 N ATOM 1552 OXT ASN A 144 -9.002 17.505 7.172 1.00 8.17 O ATOM 0 H ASN A 144 -8.356 18.871 5.294 1.00 7.08 H new ATOM 0 HA ASN A 144 -9.229 20.751 7.378 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -11.467 20.367 7.228 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -11.026 20.463 5.535 1.00 8.72 H new ATOM 0 HD21 ASN A 144 -12.541 16.996 7.135 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -12.096 18.370 8.152 1.00 9.73 H new TER 1559 ASN A 144