USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 917 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 74 CYS SG : rot -29:sc= -0.37 USER MOD Set 1.2: A 78 THR OG1 : rot -20:sc= 2.29 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 MET CE :methyl 147:sc= -0.246 (180deg=-0.947) USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= -0.134 (180deg=-0.588) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0451) USER MOD Single : A 63 ASN : amide:sc= 1.67 K(o=1.7,f=-3.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 1.01 (180deg=0.773) USER MOD Single : A 76 MET CE :methyl -119:sc= -2.21 (180deg=-5.48!) USER MOD Single : A 77 GLN : amide:sc= -3.68! C(o=-3.7!,f=-9.4!) USER MOD Single : A 81 HIS : no HE2:sc= 0.957 K(o=0.96,f=-5.6!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.752 K(o=-0.75,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.95) USER MOD Single : A 93 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.05) USER MOD Single : A 96 HIS : no HD1:sc= -3.55! C(o=-3.5!,f=-5.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0899 USER MOD Single : A 106 CYS SG : rot 155:sc= 0.271 USER MOD Single : A 107 ASN : amide:sc= 0.965 K(o=0.96,f=-0.011) USER MOD Single : A 110 SER OG : rot -83:sc= 1.22 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 163:sc= -0.0572 (180deg=-0.348) USER MOD Single : A 124 TYR OH : rot 180:sc=-0.00139 USER MOD Single : A 126 TYR OH : rot 166:sc= 0.0456 USER MOD Single : A 128 ASN : amide:sc= -10.5! C(o=-10!,f=-9.4!) USER MOD Single : A 131 CYS SG : rot 161:sc= -2.36! USER MOD Single : A 132 THR OG1 : rot 78:sc= 0.984 USER MOD Single : A 135 LYS NZ :NH3+ 134:sc= 1.25 (180deg=0.997) USER MOD Single : A 137 HIS : no HD1:sc= -0.416 X(o=-0.42,f=0.023) USER MOD Single : A 138 SER OG : rot -14:sc= -0.307! USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 125:sc= 1.28 (180deg=0.493) USER MOD Single : A 142 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0829) USER MOD Single : A 144 ASN : amide:sc= -2.81! K(o=-2.8!,f=-0.3) USER MOD Single : B 23 SER OG : rot -129:sc= 1 USER MOD Single : B 24 GLN : amide:sc= -1.97! C(o=-2!,f=-7.1!) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot 180:sc= 0.0825 USER MOD Single : B 33 GLN : amide:sc= 0.469 X(o=0.47,f=-0.014) USER MOD Single : B 34 TYR OH : rot 4:sc= 0.591 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -23.976 8.264 -2.505 1.00 10.57 N ATOM 2 CA GLY A 51 -24.151 9.629 -3.052 1.00 9.93 C ATOM 3 C GLY A 51 -24.412 10.651 -1.965 1.00 9.27 C ATOM 4 O GLY A 51 -23.479 11.161 -1.343 1.00 9.29 O ATOM 0 HA2 GLY A 51 -23.258 9.913 -3.609 1.00 9.93 H new ATOM 0 HA3 GLY A 51 -24.981 9.632 -3.758 1.00 9.93 H new ATOM 10 N SER A 52 -25.683 10.942 -1.721 1.00 8.95 N ATOM 11 CA SER A 52 -26.056 11.922 -0.716 1.00 8.59 C ATOM 12 C SER A 52 -25.886 11.325 0.680 1.00 7.80 C ATOM 13 O SER A 52 -25.442 12.000 1.608 1.00 7.91 O ATOM 14 CB SER A 52 -27.501 12.382 -0.941 1.00 9.23 C ATOM 15 OG SER A 52 -27.802 13.542 -0.181 1.00 9.51 O ATOM 0 H SER A 52 -26.471 10.512 -2.206 1.00 8.95 H new ATOM 0 HA SER A 52 -25.404 12.791 -0.801 1.00 8.59 H new ATOM 0 HB2 SER A 52 -27.657 12.589 -2.000 1.00 9.23 H new ATOM 0 HB3 SER A 52 -28.186 11.579 -0.668 1.00 9.23 H new ATOM 0 HG SER A 52 -28.730 13.811 -0.348 1.00 9.51 H new ATOM 21 N HIS A 53 -26.217 10.048 0.811 1.00 7.28 N ATOM 22 CA HIS A 53 -26.045 9.340 2.071 1.00 6.80 C ATOM 23 C HIS A 53 -24.731 8.580 2.057 1.00 5.91 C ATOM 24 O HIS A 53 -24.315 8.069 1.017 1.00 6.03 O ATOM 25 CB HIS A 53 -27.210 8.378 2.315 1.00 7.25 C ATOM 26 CG HIS A 53 -28.521 9.073 2.495 1.00 7.97 C ATOM 27 ND1 HIS A 53 -29.436 9.155 1.473 1.00 8.46 N ATOM 28 CD2 HIS A 53 -29.012 9.710 3.582 1.00 8.53 C ATOM 29 CE1 HIS A 53 -30.458 9.839 1.959 1.00 9.23 C ATOM 30 NE2 HIS A 53 -30.246 10.194 3.231 1.00 9.30 N ATOM 0 H HIS A 53 -26.607 9.481 0.058 1.00 7.28 H new ATOM 0 HA HIS A 53 -26.029 10.068 2.882 1.00 6.80 H new ATOM 0 HB2 HIS A 53 -27.285 7.688 1.475 1.00 7.25 H new ATOM 0 HB3 HIS A 53 -26.999 7.780 3.201 1.00 7.25 H new ATOM 0 HD2 HIS A 53 -28.526 9.817 4.541 1.00 8.53 H new ATOM 0 HE1 HIS A 53 -31.350 10.080 1.400 1.00 9.23 H new ATOM 0 HE2 HIS A 53 -30.882 10.724 3.827 1.00 9.30 H new ATOM 38 N MET A 54 -24.087 8.495 3.206 1.00 5.30 N ATOM 39 CA MET A 54 -22.773 7.881 3.290 1.00 4.57 C ATOM 40 C MET A 54 -22.813 6.662 4.209 1.00 4.14 C ATOM 41 O MET A 54 -21.895 6.428 4.998 1.00 4.31 O ATOM 42 CB MET A 54 -21.740 8.898 3.784 1.00 4.58 C ATOM 43 CG MET A 54 -20.305 8.526 3.443 1.00 4.17 C ATOM 44 SD MET A 54 -19.988 8.527 1.667 1.00 4.68 S ATOM 45 CE MET A 54 -20.428 10.215 1.252 1.00 5.36 C ATOM 0 H MET A 54 -24.451 8.842 4.093 1.00 5.30 H new ATOM 0 HA MET A 54 -22.479 7.550 2.294 1.00 4.57 H new ATOM 0 HB2 MET A 54 -21.966 9.872 3.351 1.00 4.58 H new ATOM 0 HB3 MET A 54 -21.832 9.001 4.865 1.00 4.58 H new ATOM 0 HG2 MET A 54 -19.627 9.227 3.929 1.00 4.17 H new ATOM 0 HG3 MET A 54 -20.085 7.538 3.847 1.00 4.17 H new ATOM 0 HE1 MET A 54 -19.796 10.566 0.436 1.00 5.36 H new ATOM 0 HE2 MET A 54 -21.473 10.253 0.943 1.00 5.36 H new ATOM 0 HE3 MET A 54 -20.283 10.853 2.124 1.00 5.36 H new ATOM 55 N GLY A 55 -23.899 5.903 4.119 1.00 4.00 N ATOM 56 CA GLY A 55 -23.989 4.644 4.835 1.00 3.88 C ATOM 57 C GLY A 55 -22.992 3.654 4.283 1.00 3.32 C ATOM 58 O GLY A 55 -22.435 2.828 5.009 1.00 3.61 O ATOM 0 H GLY A 55 -24.721 6.138 3.562 1.00 4.00 H new ATOM 0 HA2 GLY A 55 -23.800 4.807 5.896 1.00 3.88 H new ATOM 0 HA3 GLY A 55 -24.998 4.240 4.749 1.00 3.88 H new ATOM 62 N LYS A 56 -22.774 3.751 2.983 1.00 2.94 N ATOM 63 CA LYS A 56 -21.752 3.008 2.307 1.00 2.69 C ATOM 64 C LYS A 56 -20.554 3.937 2.104 1.00 2.34 C ATOM 65 O LYS A 56 -20.640 4.932 1.381 1.00 2.48 O ATOM 66 CB LYS A 56 -22.326 2.492 0.982 1.00 2.93 C ATOM 67 CG LYS A 56 -21.298 2.307 -0.101 1.00 3.20 C ATOM 68 CD LYS A 56 -20.369 1.141 0.186 1.00 3.88 C ATOM 69 CE LYS A 56 -19.471 0.846 -1.001 1.00 4.35 C ATOM 70 NZ LYS A 56 -20.255 0.493 -2.217 1.00 4.58 N ATOM 0 H LYS A 56 -23.315 4.359 2.369 1.00 2.94 H new ATOM 0 HA LYS A 56 -21.419 2.144 2.882 1.00 2.69 H new ATOM 0 HB2 LYS A 56 -22.825 1.540 1.161 1.00 2.93 H new ATOM 0 HB3 LYS A 56 -23.086 3.190 0.631 1.00 2.93 H new ATOM 0 HG2 LYS A 56 -21.801 2.143 -1.054 1.00 3.20 H new ATOM 0 HG3 LYS A 56 -20.712 3.220 -0.204 1.00 3.20 H new ATOM 0 HD2 LYS A 56 -19.758 1.367 1.060 1.00 3.88 H new ATOM 0 HD3 LYS A 56 -20.957 0.256 0.429 1.00 3.88 H new ATOM 0 HE2 LYS A 56 -18.849 1.716 -1.210 1.00 4.35 H new ATOM 0 HE3 LYS A 56 -18.798 0.025 -0.752 1.00 4.35 H new ATOM 0 HZ1 LYS A 56 -19.655 -0.047 -2.872 1.00 4.58 H new ATOM 0 HZ2 LYS A 56 -21.077 -0.083 -1.945 1.00 4.58 H new ATOM 0 HZ3 LYS A 56 -20.581 1.363 -2.684 1.00 4.58 H new ATOM 84 N LYS A 57 -19.461 3.631 2.783 1.00 2.10 N ATOM 85 CA LYS A 57 -18.305 4.509 2.821 1.00 1.85 C ATOM 86 C LYS A 57 -17.446 4.353 1.573 1.00 1.54 C ATOM 87 O LYS A 57 -16.616 3.447 1.476 1.00 1.68 O ATOM 88 CB LYS A 57 -17.489 4.220 4.072 1.00 1.99 C ATOM 89 CG LYS A 57 -17.045 5.462 4.827 1.00 1.98 C ATOM 90 CD LYS A 57 -18.209 6.206 5.457 1.00 2.02 C ATOM 91 CE LYS A 57 -17.708 7.325 6.359 1.00 2.40 C ATOM 92 NZ LYS A 57 -18.809 8.065 7.036 1.00 3.04 N ATOM 0 H LYS A 57 -19.351 2.771 3.321 1.00 2.10 H new ATOM 0 HA LYS A 57 -18.655 5.541 2.848 1.00 1.85 H new ATOM 0 HB2 LYS A 57 -18.080 3.594 4.741 1.00 1.99 H new ATOM 0 HB3 LYS A 57 -16.607 3.644 3.792 1.00 1.99 H new ATOM 0 HG2 LYS A 57 -16.337 5.177 5.605 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -16.518 6.129 4.145 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -18.848 6.620 4.677 1.00 2.02 H new ATOM 0 HD3 LYS A 57 -18.820 5.513 6.035 1.00 2.02 H new ATOM 0 HE2 LYS A 57 -17.042 6.905 7.113 1.00 2.40 H new ATOM 0 HE3 LYS A 57 -17.118 8.025 5.767 1.00 2.40 H new ATOM 0 HZ1 LYS A 57 -18.407 8.814 7.636 1.00 3.04 H new ATOM 0 HZ2 LYS A 57 -19.432 8.492 6.321 1.00 3.04 H new ATOM 0 HZ3 LYS A 57 -19.358 7.407 7.625 1.00 3.04 H new ATOM 106 N CYS A 58 -17.654 5.255 0.631 1.00 1.34 N ATOM 107 CA CYS A 58 -16.964 5.235 -0.646 1.00 1.07 C ATOM 108 C CYS A 58 -15.783 6.208 -0.663 1.00 0.85 C ATOM 109 O CYS A 58 -15.968 7.425 -0.601 1.00 1.07 O ATOM 110 CB CYS A 58 -17.961 5.602 -1.737 1.00 1.26 C ATOM 111 SG CYS A 58 -19.147 4.297 -2.125 1.00 1.99 S ATOM 0 H CYS A 58 -18.312 6.028 0.732 1.00 1.34 H new ATOM 0 HA CYS A 58 -16.562 4.236 -0.817 1.00 1.07 H new ATOM 0 HB2 CYS A 58 -18.507 6.494 -1.430 1.00 1.26 H new ATOM 0 HB3 CYS A 58 -17.413 5.860 -2.643 1.00 1.26 H new ATOM 0 HG CYS A 58 -19.951 4.706 -3.061 1.00 1.99 H new ATOM 117 N TYR A 59 -14.571 5.664 -0.724 1.00 0.57 N ATOM 118 CA TYR A 59 -13.359 6.478 -0.802 1.00 0.44 C ATOM 119 C TYR A 59 -12.532 6.133 -2.032 1.00 0.41 C ATOM 120 O TYR A 59 -11.307 6.217 -2.004 1.00 0.42 O ATOM 121 CB TYR A 59 -12.510 6.314 0.459 1.00 0.66 C ATOM 122 CG TYR A 59 -13.064 7.053 1.643 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.195 6.592 2.271 1.00 1.04 C ATOM 124 CD2 TYR A 59 -12.463 8.208 2.125 1.00 1.06 C ATOM 125 CE1 TYR A 59 -14.730 7.253 3.355 1.00 1.27 C ATOM 126 CE2 TYR A 59 -12.986 8.880 3.212 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.122 8.396 3.826 1.00 1.34 C ATOM 128 OH TYR A 59 -14.649 9.051 4.917 1.00 1.64 O ATOM 0 H TYR A 59 -14.400 4.658 -0.721 1.00 0.57 H new ATOM 0 HA TYR A 59 -13.674 7.518 -0.884 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.434 5.254 0.703 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.499 6.668 0.258 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.674 5.695 1.908 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -11.574 8.586 1.643 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -15.622 6.877 3.833 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -12.509 9.777 3.578 1.00 1.30 H new ATOM 0 HH TYR A 59 -14.102 9.838 5.122 1.00 1.64 H new ATOM 138 N LYS A 60 -13.203 5.757 -3.115 1.00 0.42 N ATOM 139 CA LYS A 60 -12.514 5.447 -4.366 1.00 0.43 C ATOM 140 C LYS A 60 -11.723 6.659 -4.840 1.00 0.40 C ATOM 141 O LYS A 60 -10.526 6.570 -5.092 1.00 0.41 O ATOM 142 CB LYS A 60 -13.514 5.020 -5.444 1.00 0.52 C ATOM 143 CG LYS A 60 -12.886 4.795 -6.814 1.00 1.16 C ATOM 144 CD LYS A 60 -13.930 4.417 -7.851 1.00 1.35 C ATOM 145 CE LYS A 60 -14.577 3.076 -7.540 1.00 1.75 C ATOM 146 NZ LYS A 60 -13.637 1.943 -7.747 1.00 2.29 N ATOM 0 H LYS A 60 -14.218 5.659 -3.154 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.827 4.620 -4.185 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -14.006 4.101 -5.126 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -14.288 5.783 -5.531 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -12.368 5.700 -7.131 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -12.137 4.006 -6.747 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -14.698 5.190 -7.892 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -13.465 4.376 -8.836 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -14.927 3.073 -6.508 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -15.453 2.941 -8.174 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -14.148 1.044 -7.640 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -13.231 1.999 -8.703 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -12.873 1.993 -7.043 1.00 2.29 H new ATOM 160 N LEU A 61 -12.407 7.792 -4.927 1.00 0.45 N ATOM 161 CA LEU A 61 -11.790 9.045 -5.336 1.00 0.49 C ATOM 162 C LEU A 61 -10.552 9.354 -4.494 1.00 0.38 C ATOM 163 O LEU A 61 -9.511 9.747 -5.021 1.00 0.41 O ATOM 164 CB LEU A 61 -12.798 10.202 -5.232 1.00 0.62 C ATOM 165 CG LEU A 61 -13.418 10.442 -3.844 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.951 11.862 -3.740 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.543 9.455 -3.558 1.00 0.81 C ATOM 0 H LEU A 61 -13.402 7.868 -4.717 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.479 8.937 -6.375 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -12.300 11.119 -5.548 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.606 10.017 -5.940 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.632 10.293 -3.104 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.386 12.016 -2.753 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -13.135 12.569 -3.891 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.714 12.021 -4.502 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.958 9.653 -2.570 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -15.325 9.567 -4.309 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.152 8.438 -3.590 1.00 0.81 H new ATOM 179 N GLU A 62 -10.675 9.157 -3.192 1.00 0.33 N ATOM 180 CA GLU A 62 -9.600 9.441 -2.265 1.00 0.30 C ATOM 181 C GLU A 62 -8.417 8.506 -2.420 1.00 0.26 C ATOM 182 O GLU A 62 -7.306 8.950 -2.689 1.00 0.32 O ATOM 183 CB GLU A 62 -10.126 9.337 -0.867 1.00 0.41 C ATOM 184 CG GLU A 62 -10.972 10.516 -0.512 1.00 0.50 C ATOM 185 CD GLU A 62 -10.297 11.841 -0.799 1.00 1.29 C ATOM 186 OE1 GLU A 62 -9.262 12.138 -0.161 1.00 1.51 O ATOM 187 OE2 GLU A 62 -10.785 12.586 -1.673 1.00 2.00 O ATOM 0 H GLU A 62 -11.522 8.797 -2.752 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.243 10.447 -2.483 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.712 8.423 -0.764 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.293 9.262 -0.168 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -11.908 10.464 -1.068 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.227 10.467 0.547 1.00 0.50 H new ATOM 194 N ASN A 63 -8.677 7.215 -2.310 1.00 0.24 N ATOM 195 CA ASN A 63 -7.612 6.223 -2.174 1.00 0.23 C ATOM 196 C ASN A 63 -6.813 6.079 -3.459 1.00 0.21 C ATOM 197 O ASN A 63 -5.643 5.701 -3.424 1.00 0.22 O ATOM 198 CB ASN A 63 -8.190 4.866 -1.764 1.00 0.33 C ATOM 199 CG ASN A 63 -8.924 4.916 -0.435 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.594 5.708 0.443 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.929 4.066 -0.279 1.00 0.90 N ATOM 0 H ASN A 63 -9.619 6.823 -2.312 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.937 6.575 -1.394 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -8.874 4.518 -2.539 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.383 4.136 -1.701 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.457 4.056 0.593 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.174 3.422 -1.031 1.00 0.90 H new ATOM 208 N GLU A 64 -7.433 6.383 -4.591 1.00 0.23 N ATOM 209 CA GLU A 64 -6.739 6.311 -5.862 1.00 0.29 C ATOM 210 C GLU A 64 -5.708 7.426 -5.981 1.00 0.29 C ATOM 211 O GLU A 64 -4.602 7.200 -6.469 1.00 0.35 O ATOM 212 CB GLU A 64 -7.725 6.368 -7.022 1.00 0.38 C ATOM 213 CG GLU A 64 -8.718 5.222 -7.020 1.00 0.41 C ATOM 214 CD GLU A 64 -9.403 5.031 -8.357 1.00 0.56 C ATOM 215 OE1 GLU A 64 -9.688 6.046 -9.029 1.00 0.69 O ATOM 216 OE2 GLU A 64 -9.678 3.871 -8.732 1.00 0.88 O ATOM 0 H GLU A 64 -8.407 6.679 -4.652 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.215 5.356 -5.905 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.269 7.312 -6.982 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.172 6.359 -7.961 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.202 4.301 -6.748 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.472 5.403 -6.254 1.00 0.41 H new ATOM 223 N LYS A 65 -6.064 8.628 -5.525 1.00 0.27 N ATOM 224 CA LYS A 65 -5.108 9.735 -5.499 1.00 0.30 C ATOM 225 C LYS A 65 -4.124 9.519 -4.369 1.00 0.23 C ATOM 226 O LYS A 65 -2.930 9.777 -4.486 1.00 0.30 O ATOM 227 CB LYS A 65 -5.794 11.067 -5.254 1.00 0.39 C ATOM 228 CG LYS A 65 -6.997 11.343 -6.115 1.00 0.65 C ATOM 229 CD LYS A 65 -7.603 12.683 -5.740 1.00 1.23 C ATOM 230 CE LYS A 65 -8.922 12.939 -6.441 1.00 2.14 C ATOM 231 NZ LYS A 65 -9.508 14.234 -6.017 1.00 2.98 N ATOM 0 H LYS A 65 -6.994 8.858 -5.173 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.612 9.759 -6.469 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.099 11.112 -4.208 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.067 11.864 -5.409 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.710 11.345 -7.167 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.736 10.552 -5.988 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -7.755 12.720 -4.661 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -6.901 13.479 -5.991 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -8.770 12.941 -7.520 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -9.619 12.131 -6.219 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -10.410 14.385 -6.511 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -9.674 14.220 -4.990 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -8.851 15.006 -6.251 1.00 2.98 H new ATOM 245 N LEU A 66 -4.675 9.055 -3.271 1.00 0.16 N ATOM 246 CA LEU A 66 -3.947 8.829 -2.039 1.00 0.15 C ATOM 247 C LEU A 66 -2.803 7.847 -2.219 1.00 0.15 C ATOM 248 O LEU A 66 -1.672 8.114 -1.813 1.00 0.18 O ATOM 249 CB LEU A 66 -4.931 8.287 -1.018 1.00 0.15 C ATOM 250 CG LEU A 66 -5.145 9.168 0.185 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.448 8.805 0.885 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.952 9.012 1.099 1.00 0.22 C ATOM 0 H LEU A 66 -5.665 8.818 -3.206 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.506 9.770 -1.710 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.891 8.127 -1.509 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.581 7.312 -0.679 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.231 10.212 -0.115 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.587 9.451 1.752 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.281 8.939 0.195 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.409 7.765 1.210 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -4.083 9.641 1.979 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.864 7.970 1.408 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -3.047 9.312 0.570 1.00 0.22 H new ATOM 264 N PHE A 67 -3.113 6.703 -2.797 1.00 0.14 N ATOM 265 CA PHE A 67 -2.120 5.674 -3.047 1.00 0.15 C ATOM 266 C PHE A 67 -0.928 6.237 -3.806 1.00 0.17 C ATOM 267 O PHE A 67 0.224 5.975 -3.458 1.00 0.20 O ATOM 268 CB PHE A 67 -2.730 4.518 -3.832 1.00 0.15 C ATOM 269 CG PHE A 67 -2.067 3.218 -3.524 1.00 0.16 C ATOM 270 CD1 PHE A 67 -2.545 2.439 -2.498 1.00 0.17 C ATOM 271 CD2 PHE A 67 -0.964 2.784 -4.239 1.00 0.17 C ATOM 272 CE1 PHE A 67 -1.946 1.245 -2.178 1.00 0.18 C ATOM 273 CE2 PHE A 67 -0.355 1.585 -3.927 1.00 0.19 C ATOM 274 CZ PHE A 67 -0.847 0.812 -2.894 1.00 0.19 C ATOM 0 H PHE A 67 -4.054 6.460 -3.105 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.775 5.306 -2.081 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.793 4.446 -3.602 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.648 4.722 -4.900 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -3.405 2.771 -1.935 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -0.577 3.388 -5.047 1.00 0.17 H new ATOM 0 HE1 PHE A 67 -2.334 0.646 -1.368 1.00 0.18 H new ATOM 0 HE2 PHE A 67 0.505 1.252 -4.490 1.00 0.19 H new ATOM 0 HZ PHE A 67 -0.375 -0.127 -2.647 1.00 0.19 H new ATOM 284 N GLU A 68 -1.202 7.024 -4.836 1.00 0.18 N ATOM 285 CA GLU A 68 -0.134 7.608 -5.621 1.00 0.23 C ATOM 286 C GLU A 68 0.569 8.731 -4.862 1.00 0.19 C ATOM 287 O GLU A 68 1.720 9.023 -5.154 1.00 0.24 O ATOM 288 CB GLU A 68 -0.612 8.059 -7.006 1.00 0.40 C ATOM 289 CG GLU A 68 -1.808 8.976 -6.998 1.00 0.54 C ATOM 290 CD GLU A 68 -2.182 9.454 -8.384 1.00 1.13 C ATOM 291 OE1 GLU A 68 -2.493 8.606 -9.248 1.00 1.39 O ATOM 292 OE2 GLU A 68 -2.168 10.682 -8.616 1.00 1.81 O ATOM 0 H GLU A 68 -2.144 7.268 -5.142 1.00 0.18 H new ATOM 0 HA GLU A 68 0.603 6.823 -5.791 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.211 8.564 -7.512 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.854 7.175 -7.596 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.657 8.456 -6.555 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.597 9.838 -6.365 1.00 0.54 H new ATOM 299 N GLU A 69 -0.090 9.350 -3.871 1.00 0.19 N ATOM 300 CA GLU A 69 0.590 10.345 -3.038 1.00 0.22 C ATOM 301 C GLU A 69 1.834 9.714 -2.427 1.00 0.20 C ATOM 302 O GLU A 69 2.899 10.329 -2.340 1.00 0.28 O ATOM 303 CB GLU A 69 -0.302 10.865 -1.911 1.00 0.26 C ATOM 304 CG GLU A 69 -1.618 11.439 -2.381 1.00 0.34 C ATOM 305 CD GLU A 69 -2.347 12.210 -1.301 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.718 13.075 -0.654 1.00 1.31 O ATOM 307 OE2 GLU A 69 -3.559 11.987 -1.120 1.00 1.78 O ATOM 0 H GLU A 69 -1.068 9.184 -3.633 1.00 0.19 H new ATOM 0 HA GLU A 69 0.849 11.189 -3.677 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.501 10.050 -1.215 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.240 11.632 -1.358 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.438 12.097 -3.231 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.256 10.629 -2.735 1.00 0.34 H new ATOM 314 N PHE A 70 1.667 8.464 -2.020 1.00 0.15 N ATOM 315 CA PHE A 70 2.740 7.661 -1.463 1.00 0.13 C ATOM 316 C PHE A 70 3.723 7.253 -2.554 1.00 0.13 C ATOM 317 O PHE A 70 4.929 7.314 -2.364 1.00 0.14 O ATOM 318 CB PHE A 70 2.123 6.428 -0.804 1.00 0.12 C ATOM 319 CG PHE A 70 3.066 5.619 0.033 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.178 5.039 -0.531 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.810 5.409 1.373 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.026 4.256 0.218 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.656 4.633 2.137 1.00 0.11 C ATOM 324 CZ PHE A 70 4.767 4.051 1.559 1.00 0.11 C ATOM 0 H PHE A 70 0.773 7.976 -2.069 1.00 0.15 H new ATOM 0 HA PHE A 70 3.292 8.239 -0.722 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.289 6.748 -0.179 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.710 5.787 -1.583 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.389 5.201 -1.578 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.939 5.857 1.828 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.892 3.803 -0.242 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.450 4.481 3.186 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.430 3.439 2.152 1.00 0.11 H new ATOM 334 N LEU A 71 3.201 6.854 -3.698 1.00 0.14 N ATOM 335 CA LEU A 71 4.016 6.337 -4.783 1.00 0.15 C ATOM 336 C LEU A 71 4.891 7.394 -5.417 1.00 0.16 C ATOM 337 O LEU A 71 6.047 7.145 -5.738 1.00 0.18 O ATOM 338 CB LEU A 71 3.104 5.750 -5.822 1.00 0.17 C ATOM 339 CG LEU A 71 2.448 4.466 -5.381 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.544 3.959 -6.466 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.521 3.461 -5.047 1.00 0.16 C ATOM 0 H LEU A 71 2.202 6.879 -3.902 1.00 0.14 H new ATOM 0 HA LEU A 71 4.685 5.583 -4.370 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.332 6.478 -6.071 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.673 5.565 -6.733 1.00 0.17 H new ATOM 0 HG LEU A 71 1.839 4.637 -4.493 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.072 3.031 -6.143 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.775 4.703 -6.676 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.127 3.774 -7.368 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.058 2.528 -4.726 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.135 3.278 -5.929 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.147 3.850 -4.244 1.00 0.16 H new ATOM 353 N GLU A 72 4.323 8.557 -5.619 1.00 0.16 N ATOM 354 CA GLU A 72 5.053 9.688 -6.156 1.00 0.19 C ATOM 355 C GLU A 72 6.153 10.091 -5.183 1.00 0.18 C ATOM 356 O GLU A 72 7.215 10.571 -5.580 1.00 0.21 O ATOM 357 CB GLU A 72 4.076 10.821 -6.436 1.00 0.24 C ATOM 358 CG GLU A 72 2.959 10.392 -7.383 1.00 0.29 C ATOM 359 CD GLU A 72 3.362 10.459 -8.845 1.00 0.73 C ATOM 360 OE1 GLU A 72 3.306 11.560 -9.431 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.728 9.416 -9.416 1.00 1.17 O ATOM 0 H GLU A 72 3.342 8.750 -5.417 1.00 0.16 H new ATOM 0 HA GLU A 72 5.536 9.427 -7.098 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.643 11.166 -5.497 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.614 11.665 -6.868 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.657 9.373 -7.142 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.089 11.029 -7.222 1.00 0.29 H new ATOM 368 N LEU A 73 5.885 9.868 -3.906 1.00 0.16 N ATOM 369 CA LEU A 73 6.875 10.022 -2.857 1.00 0.16 C ATOM 370 C LEU A 73 7.889 8.876 -2.911 1.00 0.15 C ATOM 371 O LEU A 73 9.091 9.087 -2.742 1.00 0.18 O ATOM 372 CB LEU A 73 6.153 10.038 -1.511 1.00 0.16 C ATOM 373 CG LEU A 73 7.029 9.825 -0.286 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.164 11.111 0.511 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.446 8.716 0.565 1.00 0.16 C ATOM 0 H LEU A 73 4.969 9.573 -3.568 1.00 0.16 H new ATOM 0 HA LEU A 73 7.420 10.956 -2.993 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.641 10.995 -1.406 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.385 9.265 -1.523 1.00 0.16 H new ATOM 0 HG LEU A 73 8.029 9.533 -0.608 1.00 0.16 H new ATOM 0 HD11 LEU A 73 7.795 10.935 1.382 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.616 11.881 -0.114 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.178 11.442 0.838 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.073 8.563 1.443 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.440 8.991 0.881 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.405 7.795 -0.016 1.00 0.16 H new ATOM 387 N CYS A 74 7.394 7.665 -3.153 1.00 0.13 N ATOM 388 CA CYS A 74 8.243 6.493 -3.269 1.00 0.13 C ATOM 389 C CYS A 74 9.189 6.644 -4.462 1.00 0.15 C ATOM 390 O CYS A 74 10.344 6.239 -4.394 1.00 0.18 O ATOM 391 CB CYS A 74 7.376 5.239 -3.409 1.00 0.16 C ATOM 392 SG CYS A 74 8.284 3.685 -3.311 1.00 0.50 S ATOM 0 H CYS A 74 6.399 7.474 -3.273 1.00 0.13 H new ATOM 0 HA CYS A 74 8.849 6.394 -2.369 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.615 5.250 -2.628 1.00 0.16 H new ATOM 0 HB3 CYS A 74 6.853 5.280 -4.364 1.00 0.16 H new ATOM 0 HG CYS A 74 9.500 3.865 -3.735 1.00 0.50 H new ATOM 398 N LYS A 75 8.696 7.260 -5.538 1.00 0.18 N ATOM 399 CA LYS A 75 9.506 7.576 -6.701 1.00 0.22 C ATOM 400 C LYS A 75 10.742 8.392 -6.326 1.00 0.22 C ATOM 401 O LYS A 75 11.762 8.344 -7.013 1.00 0.26 O ATOM 402 CB LYS A 75 8.684 8.366 -7.702 1.00 0.28 C ATOM 403 CG LYS A 75 8.499 7.599 -8.978 1.00 0.57 C ATOM 404 CD LYS A 75 7.349 6.619 -8.893 1.00 0.61 C ATOM 405 CE LYS A 75 5.994 7.310 -8.982 1.00 0.38 C ATOM 406 NZ LYS A 75 5.782 7.995 -10.285 1.00 0.96 N ATOM 0 H LYS A 75 7.722 7.551 -5.621 1.00 0.18 H new ATOM 0 HA LYS A 75 9.834 6.632 -7.137 1.00 0.22 H new ATOM 0 HB2 LYS A 75 7.711 8.601 -7.272 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.177 9.315 -7.913 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.320 8.296 -9.797 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.417 7.060 -9.213 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.436 5.889 -9.698 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.413 6.068 -7.955 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.205 6.573 -8.831 1.00 0.38 H new ATOM 0 HE3 LYS A 75 5.909 8.038 -8.176 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.832 8.419 -10.304 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.497 8.741 -10.405 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 5.868 7.305 -11.058 1.00 0.96 H new ATOM 420 N MET A 76 10.638 9.134 -5.228 1.00 0.22 N ATOM 421 CA MET A 76 11.700 10.029 -4.796 1.00 0.26 C ATOM 422 C MET A 76 12.628 9.308 -3.844 1.00 0.25 C ATOM 423 O MET A 76 13.849 9.367 -3.968 1.00 0.32 O ATOM 424 CB MET A 76 11.111 11.248 -4.072 1.00 0.29 C ATOM 425 CG MET A 76 9.954 11.902 -4.799 1.00 0.27 C ATOM 426 SD MET A 76 9.431 13.459 -4.050 1.00 0.32 S ATOM 427 CE MET A 76 8.910 12.904 -2.430 1.00 0.35 C ATOM 0 H MET A 76 9.820 9.131 -4.618 1.00 0.22 H new ATOM 0 HA MET A 76 12.249 10.356 -5.679 1.00 0.26 H new ATOM 0 HB2 MET A 76 10.776 10.941 -3.081 1.00 0.29 H new ATOM 0 HB3 MET A 76 11.899 11.987 -3.928 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.240 12.083 -5.835 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.109 11.213 -4.817 1.00 0.27 H new ATOM 0 HE1 MET A 76 7.853 13.130 -2.291 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.066 11.828 -2.346 1.00 0.35 H new ATOM 0 HE3 MET A 76 9.494 13.416 -1.665 1.00 0.35 H new ATOM 437 N GLN A 77 12.027 8.629 -2.888 1.00 0.21 N ATOM 438 CA GLN A 77 12.769 8.001 -1.822 1.00 0.22 C ATOM 439 C GLN A 77 13.441 6.722 -2.303 1.00 0.21 C ATOM 440 O GLN A 77 14.654 6.569 -2.179 1.00 0.24 O ATOM 441 CB GLN A 77 11.841 7.714 -0.653 1.00 0.23 C ATOM 442 CG GLN A 77 11.215 8.955 -0.038 1.00 0.30 C ATOM 443 CD GLN A 77 10.666 8.688 1.350 1.00 0.52 C ATOM 444 OE1 GLN A 77 11.156 7.817 2.061 1.00 0.98 O ATOM 445 NE2 GLN A 77 9.657 9.438 1.752 1.00 0.48 N ATOM 0 H GLN A 77 11.017 8.499 -2.831 1.00 0.21 H new ATOM 0 HA GLN A 77 13.554 8.682 -1.494 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.046 7.048 -0.989 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.399 7.182 0.117 1.00 0.23 H new ATOM 0 HG2 GLN A 77 11.960 9.749 0.014 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.412 9.313 -0.682 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.275 10.153 1.133 1.00 0.48 H new ATOM 0 HE22 GLN A 77 9.259 9.302 2.681 1.00 0.48 H new ATOM 454 N THR A 78 12.664 5.815 -2.876 1.00 0.18 N ATOM 455 CA THR A 78 13.219 4.588 -3.411 1.00 0.20 C ATOM 456 C THR A 78 13.682 4.818 -4.841 1.00 0.22 C ATOM 457 O THR A 78 13.371 4.052 -5.744 1.00 0.24 O ATOM 458 CB THR A 78 12.202 3.429 -3.359 1.00 0.20 C ATOM 459 OG1 THR A 78 11.101 3.686 -4.237 1.00 0.56 O ATOM 460 CG2 THR A 78 11.678 3.246 -1.948 1.00 0.42 C ATOM 0 H THR A 78 11.654 5.907 -2.981 1.00 0.18 H new ATOM 0 HA THR A 78 14.069 4.304 -2.791 1.00 0.20 H new ATOM 0 HB THR A 78 12.713 2.520 -3.677 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.054 4.645 -4.431 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.962 2.424 -1.930 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.508 3.019 -1.278 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.187 4.162 -1.620 1.00 0.42 H new ATOM 468 N ALA A 79 14.418 5.899 -5.038 1.00 0.25 N ATOM 469 CA ALA A 79 14.954 6.227 -6.345 1.00 0.30 C ATOM 470 C ALA A 79 16.066 5.254 -6.713 1.00 0.34 C ATOM 471 O ALA A 79 16.347 5.020 -7.889 1.00 0.42 O ATOM 472 CB ALA A 79 15.456 7.657 -6.353 1.00 0.32 C ATOM 0 H ALA A 79 14.658 6.566 -4.305 1.00 0.25 H new ATOM 0 HA ALA A 79 14.165 6.138 -7.091 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.857 7.896 -7.338 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.633 8.333 -6.123 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.240 7.772 -5.604 1.00 0.32 H new ATOM 478 N ASP A 80 16.684 4.684 -5.685 1.00 0.35 N ATOM 479 CA ASP A 80 17.711 3.660 -5.861 1.00 0.44 C ATOM 480 C ASP A 80 17.069 2.333 -6.269 1.00 0.38 C ATOM 481 O ASP A 80 17.712 1.468 -6.861 1.00 0.44 O ATOM 482 CB ASP A 80 18.507 3.487 -4.562 1.00 0.59 C ATOM 483 CG ASP A 80 19.603 2.443 -4.669 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.694 2.769 -5.179 1.00 2.29 O ATOM 485 OD2 ASP A 80 19.374 1.286 -4.266 1.00 1.68 O ATOM 0 H ASP A 80 16.490 4.916 -4.711 1.00 0.35 H new ATOM 0 HA ASP A 80 18.392 3.975 -6.652 1.00 0.44 H new ATOM 0 HB2 ASP A 80 18.950 4.443 -4.285 1.00 0.59 H new ATOM 0 HB3 ASP A 80 17.825 3.207 -3.759 1.00 0.59 H new ATOM 490 N HIS A 81 15.789 2.193 -5.952 1.00 0.35 N ATOM 491 CA HIS A 81 15.027 0.995 -6.306 1.00 0.39 C ATOM 492 C HIS A 81 13.618 1.368 -6.740 1.00 0.34 C ATOM 493 O HIS A 81 12.668 1.205 -5.974 1.00 0.30 O ATOM 494 CB HIS A 81 14.941 0.009 -5.134 1.00 0.49 C ATOM 495 CG HIS A 81 16.147 -0.866 -4.966 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.354 -2.009 -5.707 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.197 -0.778 -4.116 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.475 -2.588 -5.318 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.007 -1.862 -4.357 1.00 1.12 N ATOM 0 H HIS A 81 15.250 2.897 -5.447 1.00 0.35 H new ATOM 0 HA HIS A 81 15.555 0.514 -7.129 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.785 0.572 -4.213 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.065 -0.625 -5.273 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.737 -2.354 -6.442 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.367 -0.001 -3.385 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.886 -3.502 -5.720 1.00 2.11 H new ATOM 508 N PRO A 82 13.454 1.865 -7.975 1.00 0.39 N ATOM 509 CA PRO A 82 12.146 2.277 -8.499 1.00 0.39 C ATOM 510 C PRO A 82 11.231 1.087 -8.793 1.00 0.35 C ATOM 511 O PRO A 82 10.278 1.199 -9.557 1.00 0.39 O ATOM 512 CB PRO A 82 12.506 3.005 -9.789 1.00 0.50 C ATOM 513 CG PRO A 82 13.780 2.385 -10.228 1.00 0.53 C ATOM 514 CD PRO A 82 14.527 2.076 -8.966 1.00 0.48 C ATOM 0 HA PRO A 82 11.592 2.886 -7.785 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.727 2.885 -10.542 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.624 4.075 -9.620 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.597 1.480 -10.808 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.348 3.063 -10.865 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.152 1.190 -9.076 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.185 2.896 -8.677 1.00 0.48 H new ATOM 522 N GLU A 83 11.540 -0.044 -8.174 1.00 0.29 N ATOM 523 CA GLU A 83 10.781 -1.274 -8.344 1.00 0.26 C ATOM 524 C GLU A 83 9.649 -1.350 -7.319 1.00 0.19 C ATOM 525 O GLU A 83 8.697 -2.115 -7.478 1.00 0.22 O ATOM 526 CB GLU A 83 11.729 -2.463 -8.184 1.00 0.33 C ATOM 527 CG GLU A 83 12.978 -2.334 -9.044 1.00 0.49 C ATOM 528 CD GLU A 83 14.098 -3.254 -8.612 1.00 1.32 C ATOM 529 OE1 GLU A 83 14.807 -2.924 -7.639 1.00 2.05 O ATOM 530 OE2 GLU A 83 14.262 -4.324 -9.234 1.00 1.72 O ATOM 0 H GLU A 83 12.330 -0.134 -7.535 1.00 0.29 H new ATOM 0 HA GLU A 83 10.334 -1.294 -9.338 1.00 0.26 H new ATOM 0 HB2 GLU A 83 12.020 -2.553 -7.137 1.00 0.33 H new ATOM 0 HB3 GLU A 83 11.203 -3.381 -8.448 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.720 -2.548 -10.081 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.330 -1.303 -9.009 1.00 0.49 H new ATOM 537 N VAL A 84 9.775 -0.549 -6.265 1.00 0.15 N ATOM 538 CA VAL A 84 8.789 -0.498 -5.192 1.00 0.11 C ATOM 539 C VAL A 84 7.431 -0.010 -5.695 1.00 0.11 C ATOM 540 O VAL A 84 6.408 -0.670 -5.527 1.00 0.13 O ATOM 541 CB VAL A 84 9.245 0.471 -4.093 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.333 0.357 -2.901 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.696 0.238 -3.701 1.00 0.14 C ATOM 0 H VAL A 84 10.564 0.083 -6.131 1.00 0.15 H new ATOM 0 HA VAL A 84 8.695 -1.513 -4.805 1.00 0.11 H new ATOM 0 HB VAL A 84 9.185 1.486 -4.486 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.662 1.047 -2.124 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.314 0.604 -3.198 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.362 -0.663 -2.517 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.980 0.944 -2.921 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.814 -0.780 -3.330 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.336 0.383 -4.572 1.00 0.14 H new ATOM 553 N VAL A 85 7.455 1.169 -6.294 1.00 0.11 N ATOM 554 CA VAL A 85 6.263 1.832 -6.825 1.00 0.13 C ATOM 555 C VAL A 85 5.419 0.906 -7.719 1.00 0.15 C ATOM 556 O VAL A 85 4.234 0.711 -7.444 1.00 0.16 O ATOM 557 CB VAL A 85 6.668 3.102 -7.600 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.463 3.949 -7.947 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.671 3.903 -6.792 1.00 0.15 C ATOM 0 H VAL A 85 8.312 1.705 -6.430 1.00 0.11 H new ATOM 0 HA VAL A 85 5.639 2.105 -5.974 1.00 0.13 H new ATOM 0 HB VAL A 85 7.131 2.795 -8.538 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.786 4.835 -8.493 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.778 3.371 -8.567 1.00 0.18 H new ATOM 0 HG13 VAL A 85 4.955 4.252 -7.031 1.00 0.18 H new ATOM 0 HG21 VAL A 85 7.952 4.799 -7.346 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.225 4.190 -5.840 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.558 3.296 -6.609 1.00 0.15 H new ATOM 569 N PRO A 86 5.999 0.317 -8.792 1.00 0.17 N ATOM 570 CA PRO A 86 5.274 -0.625 -9.659 1.00 0.20 C ATOM 571 C PRO A 86 4.698 -1.802 -8.877 1.00 0.18 C ATOM 572 O PRO A 86 3.627 -2.308 -9.200 1.00 0.20 O ATOM 573 CB PRO A 86 6.339 -1.114 -10.644 1.00 0.23 C ATOM 574 CG PRO A 86 7.372 -0.046 -10.649 1.00 0.22 C ATOM 575 CD PRO A 86 7.379 0.531 -9.262 1.00 0.17 C ATOM 0 HA PRO A 86 4.420 -0.150 -10.142 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.759 -2.069 -10.330 1.00 0.23 H new ATOM 0 HB3 PRO A 86 5.919 -1.263 -11.639 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.350 -0.451 -10.908 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.138 0.720 -11.389 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.103 0.028 -8.622 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.641 1.589 -9.269 1.00 0.17 H new ATOM 583 N PHE A 87 5.414 -2.223 -7.843 1.00 0.16 N ATOM 584 CA PHE A 87 4.955 -3.308 -6.986 1.00 0.15 C ATOM 585 C PHE A 87 3.693 -2.885 -6.238 1.00 0.14 C ATOM 586 O PHE A 87 2.696 -3.607 -6.234 1.00 0.16 O ATOM 587 CB PHE A 87 6.067 -3.706 -6.006 1.00 0.17 C ATOM 588 CG PHE A 87 5.735 -4.851 -5.083 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.550 -5.561 -5.200 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.624 -5.211 -4.093 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.261 -6.603 -4.343 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.345 -6.251 -3.236 1.00 0.25 C ATOM 593 CZ PHE A 87 5.161 -6.949 -3.357 1.00 0.38 C ATOM 0 H PHE A 87 6.316 -1.829 -7.577 1.00 0.16 H new ATOM 0 HA PHE A 87 4.713 -4.175 -7.600 1.00 0.15 H new ATOM 0 HB2 PHE A 87 6.956 -3.969 -6.579 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.324 -2.836 -5.401 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.844 -5.295 -5.972 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.552 -4.669 -3.988 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.333 -7.146 -4.444 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.054 -6.521 -2.467 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.940 -7.763 -2.682 1.00 0.38 H new ATOM 603 N LEU A 88 3.730 -1.714 -5.613 1.00 0.12 N ATOM 604 CA LEU A 88 2.569 -1.209 -4.897 1.00 0.13 C ATOM 605 C LEU A 88 1.375 -1.068 -5.832 1.00 0.14 C ATOM 606 O LEU A 88 0.237 -1.337 -5.444 1.00 0.16 O ATOM 607 CB LEU A 88 2.884 0.122 -4.226 1.00 0.13 C ATOM 608 CG LEU A 88 3.932 0.047 -3.124 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.863 1.296 -2.258 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.730 -1.221 -2.301 1.00 0.20 C ATOM 0 H LEU A 88 4.545 -1.102 -5.588 1.00 0.12 H new ATOM 0 HA LEU A 88 2.311 -1.930 -4.121 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.225 0.825 -4.986 1.00 0.13 H new ATOM 0 HB3 LEU A 88 1.964 0.529 -3.806 1.00 0.13 H new ATOM 0 HG LEU A 88 4.927 0.002 -3.566 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.615 1.236 -1.472 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.051 2.176 -2.873 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.873 1.372 -1.808 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.483 -1.268 -1.515 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.737 -1.209 -1.852 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.825 -2.093 -2.947 1.00 0.20 H new ATOM 622 N TYR A 89 1.645 -0.663 -7.066 1.00 0.16 N ATOM 623 CA TYR A 89 0.607 -0.627 -8.095 1.00 0.20 C ATOM 624 C TYR A 89 0.082 -2.034 -8.340 1.00 0.21 C ATOM 625 O TYR A 89 -1.125 -2.281 -8.309 1.00 0.25 O ATOM 626 CB TYR A 89 1.134 -0.070 -9.423 1.00 0.22 C ATOM 627 CG TYR A 89 1.176 1.434 -9.522 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.009 2.173 -9.672 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.384 2.115 -9.490 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.046 3.549 -9.780 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.429 3.488 -9.600 1.00 0.37 C ATOM 632 CZ TYR A 89 1.259 4.202 -9.744 1.00 0.43 C ATOM 633 OH TYR A 89 1.304 5.574 -9.845 1.00 0.54 O ATOM 0 H TYR A 89 2.566 -0.356 -7.380 1.00 0.16 H new ATOM 0 HA TYR A 89 -0.185 0.028 -7.734 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.140 -0.456 -9.586 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.511 -0.453 -10.231 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.942 1.663 -9.705 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.304 1.560 -9.377 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.870 4.110 -9.892 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.378 4.003 -9.573 1.00 0.37 H new ATOM 0 HH TYR A 89 2.236 5.875 -9.801 1.00 0.54 H new ATOM 643 N ASN A 90 1.019 -2.950 -8.562 1.00 0.19 N ATOM 644 CA ASN A 90 0.718 -4.348 -8.844 1.00 0.23 C ATOM 645 C ASN A 90 -0.176 -4.951 -7.774 1.00 0.22 C ATOM 646 O ASN A 90 -1.256 -5.459 -8.065 1.00 0.27 O ATOM 647 CB ASN A 90 2.013 -5.149 -8.928 1.00 0.27 C ATOM 648 CG ASN A 90 1.791 -6.603 -9.286 1.00 0.48 C ATOM 649 OD1 ASN A 90 2.497 -7.485 -8.801 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.828 -6.864 -10.153 1.00 0.67 N ATOM 0 H ASN A 90 2.017 -2.740 -8.551 1.00 0.19 H new ATOM 0 HA ASN A 90 0.190 -4.390 -9.797 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.667 -4.694 -9.672 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.531 -5.092 -7.971 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.649 -7.826 -10.442 1.00 0.67 H new ATOM 0 HD22 ASN A 90 0.264 -6.104 -10.533 1.00 0.67 H new ATOM 657 N ARG A 91 0.277 -4.878 -6.530 1.00 0.19 N ATOM 658 CA ARG A 91 -0.455 -5.448 -5.409 1.00 0.20 C ATOM 659 C ARG A 91 -1.832 -4.801 -5.270 1.00 0.20 C ATOM 660 O ARG A 91 -2.781 -5.454 -4.842 1.00 0.22 O ATOM 661 CB ARG A 91 0.354 -5.297 -4.116 1.00 0.22 C ATOM 662 CG ARG A 91 -0.372 -5.760 -2.856 1.00 0.26 C ATOM 663 CD ARG A 91 -0.735 -7.235 -2.889 1.00 0.36 C ATOM 664 NE ARG A 91 0.446 -8.095 -2.969 1.00 0.80 N ATOM 665 CZ ARG A 91 0.480 -9.266 -3.604 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.582 -9.685 -4.288 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.575 -10.013 -3.567 1.00 1.25 N ATOM 0 H ARG A 91 1.154 -4.426 -6.271 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.606 -6.511 -5.600 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.281 -5.862 -4.214 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.631 -4.250 -3.996 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.258 -5.566 -1.988 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.280 -5.171 -2.729 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.305 -7.487 -1.995 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.382 -7.429 -3.745 1.00 0.36 H new ATOM 0 HE ARG A 91 1.299 -7.777 -2.509 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -1.423 -9.110 -4.327 1.00 1.38 H new ATOM 0 HH12 ARG A 91 -0.555 -10.582 -4.774 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.394 -9.692 -3.051 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.598 -10.909 -4.054 1.00 1.25 H new ATOM 681 N GLN A 92 -1.944 -3.528 -5.652 1.00 0.19 N ATOM 682 CA GLN A 92 -3.222 -2.826 -5.578 1.00 0.21 C ATOM 683 C GLN A 92 -4.168 -3.334 -6.661 1.00 0.24 C ATOM 684 O GLN A 92 -5.372 -3.437 -6.450 1.00 0.26 O ATOM 685 CB GLN A 92 -3.039 -1.315 -5.729 1.00 0.23 C ATOM 686 CG GLN A 92 -4.298 -0.526 -5.403 1.00 0.34 C ATOM 687 CD GLN A 92 -4.205 0.931 -5.805 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.538 1.279 -6.779 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.874 1.793 -5.059 1.00 0.78 N ATOM 0 H GLN A 92 -1.172 -2.968 -6.012 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.650 -3.025 -4.596 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.232 -0.986 -5.075 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.732 -1.092 -6.751 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.148 -0.983 -5.910 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.493 -0.590 -4.332 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.415 1.463 -4.260 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.849 2.788 -5.283 1.00 0.78 H new ATOM 698 N GLN A 93 -3.608 -3.653 -7.820 1.00 0.26 N ATOM 699 CA GLN A 93 -4.395 -4.190 -8.928 1.00 0.32 C ATOM 700 C GLN A 93 -4.768 -5.637 -8.632 1.00 0.34 C ATOM 701 O GLN A 93 -5.771 -6.153 -9.124 1.00 0.40 O ATOM 702 CB GLN A 93 -3.623 -4.119 -10.253 1.00 0.36 C ATOM 703 CG GLN A 93 -3.092 -2.743 -10.614 1.00 0.38 C ATOM 704 CD GLN A 93 -4.158 -1.680 -10.605 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.824 -1.424 -11.612 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.319 -1.054 -9.462 1.00 0.57 N ATOM 0 H GLN A 93 -2.613 -3.550 -8.020 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.295 -3.584 -9.029 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.785 -4.814 -10.205 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.276 -4.462 -11.055 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.306 -2.467 -9.911 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.636 -2.784 -11.603 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.742 -1.303 -8.658 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -5.021 -0.318 -9.378 1.00 0.57 H new ATOM 715 N ARG A 94 -3.937 -6.287 -7.825 1.00 0.33 N ATOM 716 CA ARG A 94 -4.195 -7.644 -7.377 1.00 0.38 C ATOM 717 C ARG A 94 -5.062 -7.632 -6.129 1.00 0.32 C ATOM 718 O ARG A 94 -5.439 -8.679 -5.607 1.00 0.46 O ATOM 719 CB ARG A 94 -2.878 -8.370 -7.099 1.00 0.47 C ATOM 720 CG ARG A 94 -1.965 -8.431 -8.312 1.00 0.70 C ATOM 721 CD ARG A 94 -2.658 -9.091 -9.488 1.00 0.95 C ATOM 722 NE ARG A 94 -2.826 -10.532 -9.286 1.00 1.67 N ATOM 723 CZ ARG A 94 -3.789 -11.266 -9.842 1.00 2.40 C ATOM 724 NH1 ARG A 94 -4.725 -10.697 -10.593 1.00 2.73 N ATOM 725 NH2 ARG A 94 -3.808 -12.578 -9.643 1.00 3.24 N ATOM 0 H ARG A 94 -3.070 -5.887 -7.466 1.00 0.33 H new ATOM 0 HA ARG A 94 -4.727 -8.175 -8.166 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.357 -7.867 -6.284 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.093 -9.384 -6.762 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -1.655 -7.423 -8.588 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.060 -8.985 -8.062 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.634 -8.630 -9.640 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -2.079 -8.917 -10.395 1.00 0.95 H new ATOM 0 HE ARG A 94 -2.159 -11.007 -8.677 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.711 -9.689 -10.749 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -5.458 -11.268 -11.014 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -3.089 -13.017 -9.068 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -4.542 -13.147 -10.065 1.00 3.24 H new ATOM 739 N ALA A 95 -5.353 -6.435 -5.641 1.00 0.28 N ATOM 740 CA ALA A 95 -6.224 -6.262 -4.505 1.00 0.25 C ATOM 741 C ALA A 95 -7.669 -6.105 -4.976 1.00 0.26 C ATOM 742 O ALA A 95 -7.934 -5.968 -6.172 1.00 0.36 O ATOM 743 CB ALA A 95 -5.760 -5.058 -3.705 1.00 0.25 C ATOM 0 H ALA A 95 -4.989 -5.563 -6.026 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.183 -7.140 -3.861 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.413 -4.920 -2.844 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.738 -5.220 -3.363 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.795 -4.168 -4.333 1.00 0.25 H new ATOM 749 N HIS A 96 -8.598 -6.147 -4.037 1.00 0.29 N ATOM 750 CA HIS A 96 -10.019 -6.088 -4.354 1.00 0.29 C ATOM 751 C HIS A 96 -10.490 -4.644 -4.310 1.00 0.27 C ATOM 752 O HIS A 96 -10.412 -3.993 -3.267 1.00 0.29 O ATOM 753 CB HIS A 96 -10.810 -6.932 -3.361 1.00 0.33 C ATOM 754 CG HIS A 96 -12.190 -7.270 -3.809 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.249 -6.438 -3.561 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.629 -8.369 -4.460 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.310 -7.046 -4.064 1.00 0.46 C ATOM 758 NE2 HIS A 96 -13.981 -8.221 -4.617 1.00 0.50 N ATOM 0 H HIS A 96 -8.394 -6.222 -3.040 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.182 -6.485 -5.356 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.265 -7.857 -3.172 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -10.869 -6.397 -2.413 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.029 -9.203 -4.792 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.313 -6.647 -4.033 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.616 -8.879 -5.068 1.00 0.50 H new ATOM 766 N SER A 97 -11.009 -4.161 -5.429 1.00 0.32 N ATOM 767 CA SER A 97 -11.276 -2.738 -5.601 1.00 0.37 C ATOM 768 C SER A 97 -12.351 -2.205 -4.648 1.00 0.33 C ATOM 769 O SER A 97 -12.514 -0.992 -4.520 1.00 0.39 O ATOM 770 CB SER A 97 -11.662 -2.455 -7.051 1.00 0.48 C ATOM 771 OG SER A 97 -10.607 -2.813 -7.930 1.00 1.46 O ATOM 0 H SER A 97 -11.255 -4.735 -6.235 1.00 0.32 H new ATOM 0 HA SER A 97 -10.356 -2.210 -5.351 1.00 0.37 H new ATOM 0 HB2 SER A 97 -12.562 -3.013 -7.309 1.00 0.48 H new ATOM 0 HB3 SER A 97 -11.898 -1.398 -7.170 1.00 0.48 H new ATOM 0 HG SER A 97 -10.874 -2.626 -8.854 1.00 1.46 H new ATOM 777 N LEU A 98 -13.085 -3.090 -3.986 1.00 0.29 N ATOM 778 CA LEU A 98 -14.107 -2.674 -3.051 1.00 0.32 C ATOM 779 C LEU A 98 -13.509 -2.085 -1.779 1.00 0.35 C ATOM 780 O LEU A 98 -13.867 -0.982 -1.371 1.00 0.43 O ATOM 781 CB LEU A 98 -14.986 -3.847 -2.746 1.00 0.35 C ATOM 782 CG LEU A 98 -16.073 -4.073 -3.783 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.139 -3.002 -3.675 1.00 0.70 C ATOM 784 CD2 LEU A 98 -15.524 -4.115 -5.205 1.00 0.67 C ATOM 0 H LEU A 98 -12.987 -4.101 -4.084 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.700 -1.880 -3.505 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.371 -4.744 -2.674 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.450 -3.700 -1.771 1.00 0.35 H new ATOM 0 HG LEU A 98 -16.511 -5.049 -3.573 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.910 -3.179 -4.425 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -17.586 -3.032 -2.681 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -16.689 -2.023 -3.841 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -16.342 -4.279 -5.906 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -15.034 -3.169 -5.434 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -14.803 -4.928 -5.293 1.00 0.67 H new ATOM 796 N PHE A 99 -12.592 -2.823 -1.164 1.00 0.32 N ATOM 797 CA PHE A 99 -11.868 -2.336 0.007 1.00 0.34 C ATOM 798 C PHE A 99 -11.047 -1.100 -0.348 1.00 0.34 C ATOM 799 O PHE A 99 -10.941 -0.156 0.438 1.00 0.39 O ATOM 800 CB PHE A 99 -10.957 -3.440 0.558 1.00 0.36 C ATOM 801 CG PHE A 99 -9.794 -2.930 1.368 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.997 -2.302 2.587 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.495 -3.072 0.901 1.00 0.38 C ATOM 804 CE1 PHE A 99 -8.928 -1.828 3.320 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.424 -2.599 1.633 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.642 -1.976 2.844 1.00 0.58 C ATOM 0 H PHE A 99 -12.331 -3.764 -1.457 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.591 -2.060 0.774 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.551 -4.111 1.178 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.575 -4.030 -0.275 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.001 -2.183 2.967 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.319 -3.559 -0.047 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.099 -1.340 4.268 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.418 -2.717 1.258 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.807 -1.604 3.419 1.00 0.58 H new ATOM 816 N LEU A 100 -10.476 -1.115 -1.543 1.00 0.31 N ATOM 817 CA LEU A 100 -9.685 0.003 -2.039 1.00 0.36 C ATOM 818 C LEU A 100 -10.561 1.242 -2.233 1.00 0.45 C ATOM 819 O LEU A 100 -10.064 2.356 -2.352 1.00 0.79 O ATOM 820 CB LEU A 100 -9.019 -0.396 -3.351 1.00 0.37 C ATOM 821 CG LEU A 100 -8.434 -1.809 -3.352 1.00 0.35 C ATOM 822 CD1 LEU A 100 -7.950 -2.191 -4.730 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.305 -1.941 -2.348 1.00 0.70 C ATOM 0 H LEU A 100 -10.547 -1.897 -2.194 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.917 0.251 -1.307 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -9.750 -0.317 -4.156 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.223 0.315 -3.573 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.232 -2.492 -3.060 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.538 -3.200 -4.704 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -8.784 -2.157 -5.431 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.178 -1.492 -5.051 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.912 -2.957 -2.374 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.511 -1.238 -2.599 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.680 -1.723 -1.348 1.00 0.70 H new ATOM 835 N ALA A 101 -11.870 1.030 -2.273 1.00 0.28 N ATOM 836 CA ALA A 101 -12.829 2.125 -2.366 1.00 0.33 C ATOM 837 C ALA A 101 -13.594 2.287 -1.053 1.00 0.36 C ATOM 838 O ALA A 101 -14.807 2.505 -1.050 1.00 0.57 O ATOM 839 CB ALA A 101 -13.798 1.878 -3.513 1.00 0.36 C ATOM 0 H ALA A 101 -12.295 0.103 -2.242 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.281 3.047 -2.559 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.509 2.702 -3.572 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.244 1.809 -4.449 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.336 0.946 -3.340 1.00 0.36 H new ATOM 845 N SER A 102 -12.875 2.217 0.060 1.00 0.34 N ATOM 846 CA SER A 102 -13.487 2.226 1.377 1.00 0.36 C ATOM 847 C SER A 102 -12.704 3.127 2.320 1.00 0.36 C ATOM 848 O SER A 102 -11.554 3.488 2.048 1.00 0.46 O ATOM 849 CB SER A 102 -13.553 0.801 1.938 1.00 0.40 C ATOM 850 OG SER A 102 -14.165 0.774 3.218 1.00 1.39 O ATOM 0 H SER A 102 -11.857 2.153 0.073 1.00 0.34 H new ATOM 0 HA SER A 102 -14.501 2.616 1.287 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.113 0.165 1.253 1.00 0.40 H new ATOM 0 HB3 SER A 102 -12.546 0.389 2.006 1.00 0.40 H new ATOM 0 HG SER A 102 -14.194 -0.148 3.548 1.00 1.39 H new ATOM 856 N ALA A 103 -13.338 3.483 3.432 1.00 0.35 N ATOM 857 CA ALA A 103 -12.732 4.350 4.431 1.00 0.36 C ATOM 858 C ALA A 103 -11.619 3.635 5.156 1.00 0.29 C ATOM 859 O ALA A 103 -10.668 4.261 5.629 1.00 0.30 O ATOM 860 CB ALA A 103 -13.767 4.810 5.435 1.00 0.44 C ATOM 0 H ALA A 103 -14.284 3.179 3.664 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.322 5.217 3.913 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.295 5.457 6.174 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.554 5.361 4.920 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.199 3.943 5.935 1.00 0.44 H new ATOM 866 N GLU A 104 -11.740 2.320 5.249 1.00 0.29 N ATOM 867 CA GLU A 104 -10.745 1.527 5.943 1.00 0.30 C ATOM 868 C GLU A 104 -9.382 1.727 5.293 1.00 0.26 C ATOM 869 O GLU A 104 -8.385 1.964 5.971 1.00 0.30 O ATOM 870 CB GLU A 104 -11.131 0.046 5.943 1.00 0.39 C ATOM 871 CG GLU A 104 -10.084 -0.846 6.591 1.00 0.49 C ATOM 872 CD GLU A 104 -10.539 -2.281 6.755 1.00 1.02 C ATOM 873 OE1 GLU A 104 -10.587 -3.021 5.752 1.00 1.81 O ATOM 874 OE2 GLU A 104 -10.838 -2.680 7.899 1.00 1.15 O ATOM 0 H GLU A 104 -12.513 1.785 4.854 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.695 1.858 6.980 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.078 -0.076 6.468 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.292 -0.281 4.916 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.176 -0.827 5.988 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.826 -0.440 7.569 1.00 0.49 H new ATOM 881 N PHE A 105 -9.368 1.689 3.970 1.00 0.22 N ATOM 882 CA PHE A 105 -8.140 1.847 3.210 1.00 0.20 C ATOM 883 C PHE A 105 -7.656 3.296 3.263 1.00 0.19 C ATOM 884 O PHE A 105 -6.457 3.560 3.186 1.00 0.16 O ATOM 885 CB PHE A 105 -8.372 1.402 1.766 1.00 0.21 C ATOM 886 CG PHE A 105 -7.109 1.242 0.976 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.996 0.659 1.555 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.031 1.670 -0.339 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.828 0.507 0.841 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.864 1.519 -1.060 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.762 0.938 -0.467 1.00 0.16 C ATOM 0 H PHE A 105 -10.200 1.549 3.397 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.364 1.222 3.651 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.911 0.455 1.769 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.012 2.131 1.269 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.044 0.319 2.579 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.892 2.126 -0.805 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.966 0.051 1.305 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.813 1.855 -2.085 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.847 0.821 -1.028 1.00 0.16 H new ATOM 901 N CYS A 106 -8.592 4.227 3.416 1.00 0.27 N ATOM 902 CA CYS A 106 -8.251 5.641 3.524 1.00 0.27 C ATOM 903 C CYS A 106 -7.421 5.885 4.782 1.00 0.27 C ATOM 904 O CYS A 106 -6.436 6.628 4.757 1.00 0.28 O ATOM 905 CB CYS A 106 -9.517 6.500 3.548 1.00 0.29 C ATOM 906 SG CYS A 106 -9.203 8.282 3.488 1.00 0.59 S ATOM 0 H CYS A 106 -9.591 4.028 3.468 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.661 5.924 2.652 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.146 6.224 2.702 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.081 6.272 4.452 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.237 8.888 2.985 1.00 0.59 H new ATOM 912 N ASN A 107 -7.829 5.245 5.876 1.00 0.28 N ATOM 913 CA ASN A 107 -7.060 5.266 7.120 1.00 0.30 C ATOM 914 C ASN A 107 -5.648 4.794 6.868 1.00 0.24 C ATOM 915 O ASN A 107 -4.689 5.499 7.159 1.00 0.23 O ATOM 916 CB ASN A 107 -7.700 4.359 8.170 1.00 0.37 C ATOM 917 CG ASN A 107 -8.899 4.991 8.853 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.764 5.631 9.895 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.080 4.821 8.276 1.00 0.64 N ATOM 0 H ASN A 107 -8.692 4.703 5.927 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.049 6.292 7.488 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.009 3.427 7.696 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.954 4.102 8.923 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.916 5.227 8.696 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.153 4.284 7.412 1.00 0.64 H new ATOM 926 N ILE A 108 -5.541 3.605 6.300 1.00 0.21 N ATOM 927 CA ILE A 108 -4.257 3.007 5.983 1.00 0.17 C ATOM 928 C ILE A 108 -3.387 3.962 5.174 1.00 0.12 C ATOM 929 O ILE A 108 -2.259 4.268 5.556 1.00 0.12 O ATOM 930 CB ILE A 108 -4.469 1.699 5.194 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.586 0.507 6.143 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.379 1.471 4.158 1.00 0.14 C ATOM 933 CD1 ILE A 108 -5.927 0.422 6.824 1.00 0.39 C ATOM 0 H ILE A 108 -6.342 3.028 6.046 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.744 2.791 6.920 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.408 1.798 4.649 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.410 -0.413 5.585 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.805 0.575 6.900 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.571 0.538 3.628 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.373 2.298 3.448 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.411 1.413 4.655 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -5.946 -0.445 7.484 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.096 1.326 7.408 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.711 0.323 6.073 1.00 0.39 H new ATOM 945 N LEU A 109 -3.941 4.446 4.077 1.00 0.12 N ATOM 946 CA LEU A 109 -3.215 5.307 3.160 1.00 0.12 C ATOM 947 C LEU A 109 -2.753 6.597 3.811 1.00 0.13 C ATOM 948 O LEU A 109 -1.567 6.914 3.782 1.00 0.13 O ATOM 949 CB LEU A 109 -4.088 5.605 1.957 1.00 0.15 C ATOM 950 CG LEU A 109 -3.991 4.555 0.869 1.00 0.16 C ATOM 951 CD1 LEU A 109 -5.112 4.708 -0.127 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.652 4.671 0.183 1.00 0.17 C ATOM 0 H LEU A 109 -4.903 4.255 3.797 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.315 4.777 2.848 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.125 5.687 2.281 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.806 6.573 1.544 1.00 0.15 H new ATOM 0 HG LEU A 109 -4.081 3.567 1.320 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -5.021 3.943 -0.898 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -6.069 4.597 0.383 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -5.058 5.695 -0.587 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.578 3.917 -0.601 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.554 5.663 -0.258 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.856 4.517 0.911 1.00 0.17 H new ATOM 964 N SER A 110 -3.680 7.324 4.413 1.00 0.16 N ATOM 965 CA SER A 110 -3.351 8.586 5.062 1.00 0.20 C ATOM 966 C SER A 110 -2.300 8.367 6.146 1.00 0.19 C ATOM 967 O SER A 110 -1.378 9.167 6.313 1.00 0.22 O ATOM 968 CB SER A 110 -4.610 9.216 5.655 1.00 0.28 C ATOM 969 OG SER A 110 -5.263 8.328 6.548 1.00 1.18 O ATOM 0 H SER A 110 -4.665 7.064 4.467 1.00 0.16 H new ATOM 0 HA SER A 110 -2.939 9.267 4.317 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.346 10.134 6.181 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.293 9.493 4.852 1.00 0.28 H new ATOM 0 HG SER A 110 -5.831 7.712 6.040 1.00 1.18 H new ATOM 975 N ARG A 111 -2.445 7.260 6.861 1.00 0.18 N ATOM 976 CA ARG A 111 -1.530 6.901 7.928 1.00 0.19 C ATOM 977 C ARG A 111 -0.129 6.580 7.406 1.00 0.16 C ATOM 978 O ARG A 111 0.832 7.269 7.746 1.00 0.17 O ATOM 979 CB ARG A 111 -2.083 5.702 8.700 1.00 0.25 C ATOM 980 CG ARG A 111 -3.190 6.054 9.681 1.00 0.33 C ATOM 981 CD ARG A 111 -3.716 4.813 10.389 1.00 1.22 C ATOM 982 NE ARG A 111 -2.640 3.984 10.937 1.00 1.97 N ATOM 983 CZ ARG A 111 -2.503 3.698 12.228 1.00 2.79 C ATOM 984 NH1 ARG A 111 -3.291 4.277 13.127 1.00 3.10 N ATOM 985 NH2 ARG A 111 -1.560 2.853 12.619 1.00 3.73 N ATOM 0 H ARG A 111 -3.199 6.589 6.716 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.442 7.763 8.589 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.462 4.969 7.988 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.267 5.226 9.244 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.814 6.764 10.418 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.005 6.546 9.151 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.385 5.114 11.195 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.306 4.221 9.689 1.00 1.22 H new ATOM 0 HE ARG A 111 -1.953 3.602 10.287 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.003 4.943 12.827 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -3.184 4.056 14.117 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -0.942 2.424 11.930 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -1.452 2.631 13.609 1.00 3.73 H new ATOM 999 N VAL A 112 -0.013 5.572 6.546 1.00 0.15 N ATOM 1000 CA VAL A 112 1.302 5.092 6.126 1.00 0.14 C ATOM 1001 C VAL A 112 2.010 6.090 5.221 1.00 0.14 C ATOM 1002 O VAL A 112 3.227 6.257 5.311 1.00 0.15 O ATOM 1003 CB VAL A 112 1.250 3.715 5.428 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.671 2.656 6.353 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.472 3.788 4.131 1.00 0.15 C ATOM 0 H VAL A 112 -0.802 5.077 6.130 1.00 0.15 H new ATOM 0 HA VAL A 112 1.871 4.979 7.049 1.00 0.14 H new ATOM 0 HB VAL A 112 2.273 3.426 5.186 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.646 1.696 5.837 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.293 2.572 7.244 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.341 2.939 6.642 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.453 2.804 3.662 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.548 4.112 4.336 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.951 4.500 3.459 1.00 0.15 H new ATOM 1015 N LEU A 113 1.257 6.765 4.358 1.00 0.15 N ATOM 1016 CA LEU A 113 1.833 7.728 3.455 1.00 0.16 C ATOM 1017 C LEU A 113 2.464 8.885 4.231 1.00 0.17 C ATOM 1018 O LEU A 113 3.598 9.280 3.958 1.00 0.20 O ATOM 1019 CB LEU A 113 0.747 8.207 2.489 1.00 0.16 C ATOM 1020 CG LEU A 113 0.776 9.677 2.135 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.938 9.960 1.203 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.548 10.095 1.515 1.00 0.27 C ATOM 0 H LEU A 113 0.246 6.655 4.273 1.00 0.15 H new ATOM 0 HA LEU A 113 2.634 7.267 2.877 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.828 7.630 1.568 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.226 7.978 2.924 1.00 0.16 H new ATOM 0 HG LEU A 113 0.918 10.264 3.042 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.953 11.021 0.952 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.873 9.690 1.695 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.825 9.373 0.292 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.514 11.155 1.265 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.725 9.514 0.610 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.355 9.916 2.225 1.00 0.27 H new ATOM 1034 N SER A 114 1.746 9.399 5.217 1.00 0.17 N ATOM 1035 CA SER A 114 2.249 10.499 6.026 1.00 0.21 C ATOM 1036 C SER A 114 3.377 10.015 6.937 1.00 0.18 C ATOM 1037 O SER A 114 4.303 10.765 7.242 1.00 0.20 O ATOM 1038 CB SER A 114 1.113 11.110 6.846 1.00 0.26 C ATOM 1039 OG SER A 114 1.554 12.238 7.587 1.00 1.06 O ATOM 0 H SER A 114 0.815 9.073 5.476 1.00 0.17 H new ATOM 0 HA SER A 114 2.650 11.269 5.367 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.301 11.405 6.181 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.711 10.360 7.527 1.00 0.26 H new ATOM 0 HG SER A 114 0.804 12.606 8.099 1.00 1.06 H new ATOM 1045 N ARG A 115 3.299 8.760 7.366 1.00 0.15 N ATOM 1046 CA ARG A 115 4.353 8.165 8.168 1.00 0.16 C ATOM 1047 C ARG A 115 5.657 8.083 7.386 1.00 0.15 C ATOM 1048 O ARG A 115 6.713 8.434 7.901 1.00 0.18 O ATOM 1049 CB ARG A 115 3.949 6.777 8.650 1.00 0.20 C ATOM 1050 CG ARG A 115 2.978 6.811 9.810 1.00 0.31 C ATOM 1051 CD ARG A 115 3.553 7.596 10.971 1.00 0.53 C ATOM 1052 NE ARG A 115 2.778 7.428 12.197 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.472 8.421 13.029 1.00 1.21 C ATOM 1054 NH1 ARG A 115 2.810 9.670 12.727 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.811 8.167 14.150 1.00 1.62 N ATOM 0 H ARG A 115 2.515 8.138 7.170 1.00 0.15 H new ATOM 0 HA ARG A 115 4.509 8.807 9.035 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.499 6.228 7.823 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.842 6.228 8.948 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.038 7.262 9.490 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.751 5.794 10.130 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.580 7.277 11.148 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.588 8.653 10.709 1.00 0.53 H new ATOM 0 HE ARG A 115 2.450 6.491 12.431 1.00 0.89 H new ATOM 0 HH11 ARG A 115 3.304 9.868 11.857 1.00 1.63 H new ATOM 0 HH12 ARG A 115 2.575 10.430 13.365 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.537 7.211 14.375 1.00 1.62 H new ATOM 0 HH22 ARG A 115 1.577 8.928 14.787 1.00 1.62 H new ATOM 1069 N ALA A 116 5.574 7.630 6.141 1.00 0.15 N ATOM 1070 CA ALA A 116 6.755 7.499 5.289 1.00 0.18 C ATOM 1071 C ALA A 116 7.269 8.861 4.842 1.00 0.21 C ATOM 1072 O ALA A 116 8.441 9.025 4.508 1.00 0.25 O ATOM 1073 CB ALA A 116 6.441 6.632 4.087 1.00 0.20 C ATOM 0 H ALA A 116 4.701 7.346 5.696 1.00 0.15 H new ATOM 0 HA ALA A 116 7.541 7.021 5.874 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.329 6.543 3.461 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.133 5.642 4.423 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.635 7.087 3.511 1.00 0.20 H new ATOM 1079 N ARG A 117 6.372 9.831 4.837 1.00 0.23 N ATOM 1080 CA ARG A 117 6.702 11.194 4.524 1.00 0.28 C ATOM 1081 C ARG A 117 7.452 11.829 5.698 1.00 0.29 C ATOM 1082 O ARG A 117 8.266 12.736 5.520 1.00 0.39 O ATOM 1083 CB ARG A 117 5.393 11.921 4.220 1.00 0.38 C ATOM 1084 CG ARG A 117 5.483 13.426 4.227 1.00 1.06 C ATOM 1085 CD ARG A 117 6.247 13.968 3.024 1.00 1.15 C ATOM 1086 NE ARG A 117 7.699 13.881 3.190 1.00 1.75 N ATOM 1087 CZ ARG A 117 8.581 14.291 2.280 1.00 2.25 C ATOM 1088 NH1 ARG A 117 8.168 14.695 1.087 1.00 2.33 N ATOM 1089 NH2 ARG A 117 9.880 14.271 2.555 1.00 2.99 N ATOM 0 H ARG A 117 5.386 9.684 5.054 1.00 0.23 H new ATOM 0 HA ARG A 117 7.360 11.258 3.657 1.00 0.28 H new ATOM 0 HB2 ARG A 117 5.034 11.598 3.243 1.00 0.38 H new ATOM 0 HB3 ARG A 117 4.646 11.613 4.952 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.478 13.847 4.236 1.00 1.06 H new ATOM 0 HG3 ARG A 117 5.974 13.754 5.143 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.954 13.413 2.133 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.966 15.008 2.859 1.00 1.15 H new ATOM 0 HE ARG A 117 8.058 13.481 4.057 1.00 1.75 H new ATOM 0 HH11 ARG A 117 7.173 14.692 0.864 1.00 2.33 H new ATOM 0 HH12 ARG A 117 8.846 15.009 0.392 1.00 2.33 H new ATOM 0 HH21 ARG A 117 10.204 13.941 3.464 1.00 2.99 H new ATOM 0 HH22 ARG A 117 10.554 14.585 1.857 1.00 2.99 H new ATOM 1103 N SER A 118 7.182 11.332 6.892 1.00 0.28 N ATOM 1104 CA SER A 118 7.849 11.811 8.091 1.00 0.33 C ATOM 1105 C SER A 118 9.131 11.034 8.327 1.00 0.32 C ATOM 1106 O SER A 118 10.191 11.605 8.580 1.00 0.41 O ATOM 1107 CB SER A 118 6.934 11.646 9.294 1.00 0.38 C ATOM 1108 OG SER A 118 7.380 12.413 10.402 1.00 0.62 O ATOM 0 H SER A 118 6.500 10.591 7.058 1.00 0.28 H new ATOM 0 HA SER A 118 8.089 12.866 7.956 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.922 11.949 9.026 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.888 10.594 9.575 1.00 0.38 H new ATOM 0 HG SER A 118 6.768 12.284 11.156 1.00 0.62 H new ATOM 1114 N ARG A 119 9.004 9.722 8.257 1.00 0.26 N ATOM 1115 CA ARG A 119 10.117 8.813 8.481 1.00 0.28 C ATOM 1116 C ARG A 119 10.477 8.058 7.203 1.00 0.26 C ATOM 1117 O ARG A 119 10.062 6.914 7.016 1.00 0.25 O ATOM 1118 CB ARG A 119 9.810 7.799 9.581 1.00 0.33 C ATOM 1119 CG ARG A 119 9.375 8.414 10.891 1.00 0.47 C ATOM 1120 CD ARG A 119 7.923 8.784 10.830 1.00 1.28 C ATOM 1121 NE ARG A 119 7.349 9.064 12.143 1.00 1.54 N ATOM 1122 CZ ARG A 119 6.691 8.172 12.882 1.00 2.39 C ATOM 1123 NH1 ARG A 119 6.587 6.907 12.487 1.00 3.26 N ATOM 1124 NH2 ARG A 119 6.151 8.551 14.031 1.00 2.60 N ATOM 0 H ARG A 119 8.124 9.253 8.043 1.00 0.26 H new ATOM 0 HA ARG A 119 10.961 9.429 8.793 1.00 0.28 H new ATOM 0 HB2 ARG A 119 9.027 7.127 9.231 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.697 7.191 9.756 1.00 0.33 H new ATOM 0 HG2 ARG A 119 9.545 7.711 11.706 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.975 9.299 11.103 1.00 0.47 H new ATOM 0 HD2 ARG A 119 7.804 9.661 10.193 1.00 1.28 H new ATOM 0 HD3 ARG A 119 7.366 7.972 10.362 1.00 1.28 H new ATOM 0 HE ARG A 119 7.459 10.006 12.520 1.00 1.54 H new ATOM 0 HH11 ARG A 119 7.014 6.610 11.609 1.00 3.26 H new ATOM 0 HH12 ARG A 119 6.081 6.233 13.062 1.00 3.26 H new ATOM 0 HH21 ARG A 119 6.241 9.518 14.342 1.00 2.60 H new ATOM 0 HH22 ARG A 119 5.645 7.876 14.604 1.00 2.60 H new ATOM 1138 N PRO A 120 11.260 8.687 6.316 1.00 0.29 N ATOM 1139 CA PRO A 120 11.758 8.055 5.085 1.00 0.30 C ATOM 1140 C PRO A 120 12.540 6.783 5.380 1.00 0.27 C ATOM 1141 O PRO A 120 12.564 5.843 4.585 1.00 0.28 O ATOM 1142 CB PRO A 120 12.696 9.119 4.498 1.00 0.37 C ATOM 1143 CG PRO A 120 12.986 10.040 5.628 1.00 0.38 C ATOM 1144 CD PRO A 120 11.729 10.068 6.430 1.00 0.35 C ATOM 0 HA PRO A 120 10.949 7.759 4.417 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.610 8.669 4.111 1.00 0.37 H new ATOM 0 HB3 PRO A 120 12.225 9.647 3.669 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.827 9.683 6.223 1.00 0.38 H new ATOM 0 HG3 PRO A 120 13.249 11.035 5.270 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.913 10.351 7.466 1.00 0.35 H new ATOM 0 HD3 PRO A 120 11.006 10.778 6.029 1.00 0.35 H new ATOM 1152 N ALA A 121 13.161 6.763 6.550 1.00 0.25 N ATOM 1153 CA ALA A 121 13.977 5.643 6.986 1.00 0.28 C ATOM 1154 C ALA A 121 13.162 4.354 7.100 1.00 0.27 C ATOM 1155 O ALA A 121 13.706 3.254 7.011 1.00 0.35 O ATOM 1156 CB ALA A 121 14.620 5.982 8.319 1.00 0.33 C ATOM 0 H ALA A 121 13.112 7.526 7.225 1.00 0.25 H new ATOM 0 HA ALA A 121 14.749 5.469 6.236 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.234 5.144 8.650 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.245 6.868 8.207 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.843 6.178 9.058 1.00 0.33 H new ATOM 1162 N LYS A 122 11.858 4.488 7.310 1.00 0.22 N ATOM 1163 CA LYS A 122 10.987 3.329 7.403 1.00 0.27 C ATOM 1164 C LYS A 122 9.920 3.347 6.318 1.00 0.19 C ATOM 1165 O LYS A 122 8.892 2.683 6.447 1.00 0.18 O ATOM 1166 CB LYS A 122 10.338 3.265 8.782 1.00 0.39 C ATOM 1167 CG LYS A 122 11.302 2.846 9.872 1.00 0.49 C ATOM 1168 CD LYS A 122 11.134 1.381 10.236 1.00 0.66 C ATOM 1169 CE LYS A 122 12.013 0.997 11.418 1.00 1.28 C ATOM 1170 NZ LYS A 122 11.641 1.743 12.648 1.00 1.79 N ATOM 0 H LYS A 122 11.385 5.385 7.418 1.00 0.22 H new ATOM 0 HA LYS A 122 11.598 2.439 7.256 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.923 4.243 9.028 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.504 2.563 8.753 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.325 3.024 9.541 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.141 3.462 10.757 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.090 1.182 10.478 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.386 0.760 9.376 1.00 0.66 H new ATOM 0 HE2 LYS A 122 11.927 -0.074 11.602 1.00 1.28 H new ATOM 0 HE3 LYS A 122 13.057 1.195 11.174 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.046 1.267 13.479 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 12.011 2.713 12.591 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 10.605 1.772 12.737 1.00 1.79 H new ATOM 1184 N LEU A 123 10.181 4.095 5.243 1.00 0.17 N ATOM 1185 CA LEU A 123 9.296 4.143 4.090 1.00 0.14 C ATOM 1186 C LEU A 123 8.914 2.742 3.640 1.00 0.12 C ATOM 1187 O LEU A 123 7.765 2.485 3.293 1.00 0.12 O ATOM 1188 CB LEU A 123 10.002 4.867 2.952 1.00 0.16 C ATOM 1189 CG LEU A 123 9.339 4.751 1.585 1.00 0.14 C ATOM 1190 CD1 LEU A 123 8.077 5.587 1.500 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.319 5.161 0.520 1.00 0.21 C ATOM 0 H LEU A 123 11.011 4.681 5.153 1.00 0.17 H new ATOM 0 HA LEU A 123 8.386 4.674 4.368 1.00 0.14 H new ATOM 0 HB2 LEU A 123 10.079 5.923 3.210 1.00 0.16 H new ATOM 0 HB3 LEU A 123 11.019 4.482 2.876 1.00 0.16 H new ATOM 0 HG LEU A 123 9.046 3.713 1.431 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.634 5.477 0.510 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.366 5.251 2.255 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.322 6.635 1.674 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.848 5.079 -0.459 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.629 6.192 0.688 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.192 4.509 0.558 1.00 0.21 H new ATOM 1203 N TYR A 124 9.878 1.829 3.684 1.00 0.13 N ATOM 1204 CA TYR A 124 9.661 0.479 3.199 1.00 0.13 C ATOM 1205 C TYR A 124 8.655 -0.251 4.057 1.00 0.13 C ATOM 1206 O TYR A 124 7.821 -0.956 3.534 1.00 0.14 O ATOM 1207 CB TYR A 124 10.966 -0.300 3.133 1.00 0.14 C ATOM 1208 CG TYR A 124 11.874 0.153 2.023 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.747 1.218 2.187 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.854 -0.496 0.805 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.577 1.620 1.159 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.672 -0.111 -0.219 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.538 0.950 -0.046 1.00 0.24 C ATOM 1214 OH TYR A 124 14.366 1.337 -1.074 1.00 0.31 O ATOM 0 H TYR A 124 10.814 2.003 4.050 1.00 0.13 H new ATOM 0 HA TYR A 124 9.259 0.555 2.189 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.489 -0.200 4.084 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.743 -1.359 3.001 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.778 1.740 3.132 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.178 -1.325 0.659 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.251 2.452 1.297 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.641 -0.636 -1.162 1.00 0.19 H new ATOM 0 HH TYR A 124 14.213 0.761 -1.852 1.00 0.31 H new ATOM 1224 N VAL A 125 8.719 -0.072 5.367 1.00 0.13 N ATOM 1225 CA VAL A 125 7.733 -0.684 6.256 1.00 0.14 C ATOM 1226 C VAL A 125 6.329 -0.222 5.901 1.00 0.12 C ATOM 1227 O VAL A 125 5.385 -1.004 5.917 1.00 0.14 O ATOM 1228 CB VAL A 125 8.026 -0.377 7.733 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.889 -0.853 8.635 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.343 -1.021 8.120 1.00 0.23 C ATOM 0 H VAL A 125 9.433 0.484 5.838 1.00 0.13 H new ATOM 0 HA VAL A 125 7.801 -1.763 6.116 1.00 0.14 H new ATOM 0 HB VAL A 125 8.103 0.702 7.866 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.127 -0.621 9.673 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.965 -0.348 8.353 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.763 -1.930 8.524 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.558 -0.808 9.167 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.277 -2.099 7.975 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.142 -0.619 7.496 1.00 0.23 H new ATOM 1240 N TYR A 126 6.205 1.041 5.557 1.00 0.11 N ATOM 1241 CA TYR A 126 4.920 1.598 5.170 1.00 0.11 C ATOM 1242 C TYR A 126 4.541 1.121 3.768 1.00 0.10 C ATOM 1243 O TYR A 126 3.365 0.917 3.465 1.00 0.11 O ATOM 1244 CB TYR A 126 4.979 3.118 5.277 1.00 0.12 C ATOM 1245 CG TYR A 126 5.474 3.558 6.638 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.957 2.987 7.792 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.469 4.514 6.772 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.411 3.355 9.039 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.933 4.891 8.020 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.400 4.306 9.151 1.00 0.20 C ATOM 1251 OH TYR A 126 6.851 4.682 10.397 1.00 0.25 O ATOM 0 H TYR A 126 6.978 1.706 5.536 1.00 0.11 H new ATOM 0 HA TYR A 126 4.137 1.249 5.843 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.638 3.513 4.504 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.989 3.536 5.096 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.183 2.239 7.711 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.889 4.972 5.888 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.993 2.900 9.925 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.708 5.638 8.109 1.00 0.20 H new ATOM 0 HH TYR A 126 7.692 5.177 10.305 1.00 0.25 H new ATOM 1261 N ILE A 127 5.556 0.933 2.928 1.00 0.11 N ATOM 1262 CA ILE A 127 5.399 0.238 1.650 1.00 0.11 C ATOM 1263 C ILE A 127 4.869 -1.176 1.903 1.00 0.11 C ATOM 1264 O ILE A 127 3.890 -1.615 1.298 1.00 0.11 O ATOM 1265 CB ILE A 127 6.757 0.154 0.901 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.173 1.531 0.381 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.687 -0.836 -0.242 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.655 1.665 0.109 1.00 0.11 C ATOM 0 H ILE A 127 6.506 1.256 3.111 1.00 0.11 H new ATOM 0 HA ILE A 127 4.694 0.795 1.033 1.00 0.11 H new ATOM 0 HB ILE A 127 7.508 -0.194 1.610 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.625 1.742 -0.537 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.878 2.287 1.109 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.651 -0.875 -0.749 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.441 -1.824 0.147 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.918 -0.523 -0.948 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.868 2.669 -0.257 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.211 1.488 1.029 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.955 0.934 -0.642 1.00 0.11 H new ATOM 1280 N ASN A 128 5.538 -1.863 2.820 1.00 0.12 N ATOM 1281 CA ASN A 128 5.178 -3.201 3.249 1.00 0.14 C ATOM 1282 C ASN A 128 3.747 -3.237 3.745 1.00 0.14 C ATOM 1283 O ASN A 128 2.955 -4.075 3.318 1.00 0.16 O ATOM 1284 CB ASN A 128 6.105 -3.634 4.387 1.00 0.20 C ATOM 1285 CG ASN A 128 7.507 -4.010 3.945 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.194 -4.757 4.629 1.00 0.50 O ATOM 1287 ND2 ASN A 128 7.943 -3.503 2.807 1.00 0.26 N ATOM 0 H ASN A 128 6.363 -1.495 3.294 1.00 0.12 H new ATOM 0 HA ASN A 128 5.277 -3.876 2.399 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.171 -2.824 5.113 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.658 -4.486 4.899 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.879 -3.731 2.473 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.344 -2.883 2.262 1.00 0.26 H new ATOM 1294 N GLU A 129 3.435 -2.325 4.662 1.00 0.13 N ATOM 1295 CA GLU A 129 2.098 -2.221 5.219 1.00 0.16 C ATOM 1296 C GLU A 129 1.086 -2.071 4.122 1.00 0.15 C ATOM 1297 O GLU A 129 0.240 -2.924 3.942 1.00 0.17 O ATOM 1298 CB GLU A 129 1.979 -1.026 6.160 1.00 0.23 C ATOM 1299 CG GLU A 129 2.632 -1.245 7.503 1.00 0.29 C ATOM 1300 CD GLU A 129 2.262 -0.178 8.514 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.130 -0.223 9.043 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.099 0.701 8.792 1.00 1.03 O ATOM 0 H GLU A 129 4.098 -1.645 5.034 1.00 0.13 H new ATOM 0 HA GLU A 129 1.909 -3.136 5.780 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.429 -0.154 5.685 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.924 -0.798 6.312 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.341 -2.222 7.889 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.715 -1.261 7.378 1.00 0.29 H new ATOM 1309 N LEU A 130 1.224 -1.000 3.368 1.00 0.14 N ATOM 1310 CA LEU A 130 0.308 -0.675 2.290 1.00 0.15 C ATOM 1311 C LEU A 130 0.109 -1.862 1.343 1.00 0.15 C ATOM 1312 O LEU A 130 -1.002 -2.116 0.890 1.00 0.18 O ATOM 1313 CB LEU A 130 0.863 0.532 1.548 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.123 1.293 0.673 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.449 1.490 1.397 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.485 2.633 0.306 1.00 0.12 C ATOM 0 H LEU A 130 1.980 -0.325 3.485 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.674 -0.442 2.702 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.276 1.225 2.281 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.691 0.199 0.922 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.323 0.719 -0.232 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.138 2.036 0.752 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.876 0.518 1.644 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.283 2.057 2.313 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.212 3.189 -0.321 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.689 3.201 1.214 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.416 2.473 -0.238 1.00 0.12 H new ATOM 1328 N CYS A 131 1.182 -2.600 1.079 1.00 0.14 N ATOM 1329 CA CYS A 131 1.112 -3.778 0.222 1.00 0.17 C ATOM 1330 C CYS A 131 0.367 -4.920 0.918 1.00 0.18 C ATOM 1331 O CYS A 131 -0.538 -5.525 0.341 1.00 0.21 O ATOM 1332 CB CYS A 131 2.524 -4.226 -0.170 1.00 0.20 C ATOM 1333 SG CYS A 131 2.575 -5.642 -1.295 1.00 0.53 S ATOM 0 H CYS A 131 2.113 -2.403 1.447 1.00 0.14 H new ATOM 0 HA CYS A 131 0.559 -3.514 -0.679 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.041 -3.388 -0.637 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.077 -4.477 0.735 1.00 0.20 H new ATOM 0 HG CYS A 131 3.733 -5.686 -1.884 1.00 0.53 H new ATOM 1339 N THR A 132 0.725 -5.190 2.170 1.00 0.19 N ATOM 1340 CA THR A 132 0.103 -6.271 2.925 1.00 0.23 C ATOM 1341 C THR A 132 -1.355 -5.931 3.193 1.00 0.21 C ATOM 1342 O THR A 132 -2.239 -6.781 3.130 1.00 0.22 O ATOM 1343 CB THR A 132 0.816 -6.501 4.270 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.229 -6.606 4.065 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.306 -7.766 4.936 1.00 0.36 C ATOM 0 H THR A 132 1.442 -4.675 2.682 1.00 0.19 H new ATOM 0 HA THR A 132 0.180 -7.182 2.331 1.00 0.23 H new ATOM 0 HB THR A 132 0.605 -5.651 4.919 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.607 -5.712 3.930 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.822 -7.911 5.885 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.765 -7.676 5.116 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.494 -8.621 4.286 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.570 -4.657 3.470 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.880 -4.091 3.713 1.00 0.17 C ATOM 1355 C VAL A 133 -3.831 -4.430 2.581 1.00 0.18 C ATOM 1356 O VAL A 133 -4.997 -4.760 2.810 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.748 -2.559 3.855 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.040 -1.847 3.510 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.290 -2.196 5.262 1.00 0.18 C ATOM 0 H VAL A 133 -0.817 -3.972 3.533 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.286 -4.513 4.632 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.995 -2.224 3.142 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.904 -0.771 3.623 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.315 -2.072 2.480 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.831 -2.185 4.179 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.201 -1.113 5.348 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -3.019 -2.559 5.987 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.322 -2.656 5.460 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.314 -4.372 1.367 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.105 -4.651 0.191 1.00 0.20 C ATOM 1371 C LEU A 134 -4.657 -6.067 0.244 1.00 0.23 C ATOM 1372 O LEU A 134 -5.857 -6.268 0.162 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.253 -4.446 -1.063 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.802 -3.004 -1.282 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.832 -2.892 -2.438 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.998 -2.118 -1.524 1.00 0.20 C ATOM 0 H LEU A 134 -2.342 -4.132 1.173 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.950 -3.963 0.158 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.372 -5.085 -0.999 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.822 -4.773 -1.933 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.285 -2.677 -0.380 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.534 -1.851 -2.563 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.951 -3.500 -2.234 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.312 -3.244 -3.351 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.665 -1.092 -1.679 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.534 -2.463 -2.408 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.661 -2.158 -0.660 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.791 -7.038 0.455 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.208 -8.430 0.424 1.00 0.29 C ATOM 1390 C LYS A 135 -4.877 -8.862 1.723 1.00 0.30 C ATOM 1391 O LYS A 135 -5.727 -9.753 1.728 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.027 -9.324 0.093 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.869 -9.543 -1.398 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.107 -10.209 -1.982 1.00 0.45 C ATOM 1395 CE LYS A 135 -3.936 -10.481 -3.467 1.00 0.91 C ATOM 1396 NZ LYS A 135 -4.836 -11.564 -3.937 1.00 1.59 N ATOM 0 H LYS A 135 -2.800 -6.893 0.649 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.957 -8.532 -0.361 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.115 -8.879 0.491 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.154 -10.287 0.588 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.697 -8.588 -1.894 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -1.993 -10.163 -1.588 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.301 -11.145 -1.458 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -4.976 -9.570 -1.824 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -4.140 -9.570 -4.029 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -2.901 -10.755 -3.669 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.297 -11.272 -4.822 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -4.282 -12.428 -4.104 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.560 -11.751 -3.215 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.488 -8.236 2.821 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.069 -8.542 4.122 1.00 0.30 C ATOM 1412 C ALA A 136 -6.549 -8.193 4.158 1.00 0.31 C ATOM 1413 O ALA A 136 -7.355 -8.919 4.739 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.342 -7.793 5.232 1.00 0.33 C ATOM 0 H ALA A 136 -3.771 -7.511 2.840 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.957 -9.614 4.284 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.794 -8.038 6.193 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.292 -8.085 5.240 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.419 -6.720 5.058 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.910 -7.081 3.532 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.260 -6.570 3.649 1.00 0.35 C ATOM 1422 C HIS A 137 -9.039 -6.689 2.350 1.00 0.35 C ATOM 1423 O HIS A 137 -10.260 -6.533 2.338 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.233 -5.128 4.132 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.427 -4.942 5.382 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.847 -5.369 6.620 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.188 -4.429 5.567 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -6.899 -5.137 7.508 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -5.883 -4.566 6.894 1.00 0.49 N ATOM 0 H HIS A 137 -6.290 -6.523 2.944 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.780 -7.185 4.384 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -7.823 -4.495 3.345 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.254 -4.792 4.312 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.557 -3.992 4.807 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -6.948 -5.375 8.560 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.011 -4.274 7.336 1.00 0.49 H new ATOM 1438 N SER A 138 -8.344 -6.962 1.260 1.00 0.31 N ATOM 1439 CA SER A 138 -9.002 -7.187 -0.011 1.00 0.33 C ATOM 1440 C SER A 138 -8.343 -8.317 -0.790 1.00 0.55 C ATOM 1441 O SER A 138 -7.173 -8.634 -0.600 1.00 1.05 O ATOM 1442 CB SER A 138 -9.012 -5.909 -0.855 1.00 0.38 C ATOM 1443 OG SER A 138 -7.733 -5.597 -1.363 1.00 1.00 O ATOM 0 H SER A 138 -7.327 -7.033 1.231 1.00 0.31 H new ATOM 0 HA SER A 138 -10.030 -7.476 0.206 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.711 -6.028 -1.683 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.373 -5.078 -0.249 1.00 0.38 H new ATOM 0 HG SER A 138 -7.057 -6.132 -0.897 1.00 1.00 H new ATOM 1449 N ALA A 139 -9.140 -8.913 -1.651 1.00 0.38 N ATOM 1450 CA ALA A 139 -8.705 -9.922 -2.614 1.00 0.60 C ATOM 1451 C ALA A 139 -8.026 -11.120 -1.972 1.00 1.01 C ATOM 1452 O ALA A 139 -7.080 -11.676 -2.525 1.00 1.45 O ATOM 1453 CB ALA A 139 -7.793 -9.304 -3.644 1.00 1.41 C ATOM 0 H ALA A 139 -10.138 -8.709 -1.708 1.00 0.38 H new ATOM 0 HA ALA A 139 -9.610 -10.296 -3.093 1.00 0.60 H new ATOM 0 HB1 ALA A 139 -7.477 -10.067 -4.355 1.00 1.41 H new ATOM 0 HB2 ALA A 139 -8.325 -8.513 -4.173 1.00 1.41 H new ATOM 0 HB3 ALA A 139 -6.917 -8.884 -3.149 1.00 1.41 H new ATOM 1459 N LYS A 140 -8.509 -11.529 -0.819 1.00 1.55 N ATOM 1460 CA LYS A 140 -8.059 -12.787 -0.242 1.00 2.37 C ATOM 1461 C LYS A 140 -8.983 -13.864 -0.772 1.00 2.97 C ATOM 1462 O LYS A 140 -8.668 -15.055 -0.803 1.00 3.60 O ATOM 1463 CB LYS A 140 -8.055 -12.755 1.292 1.00 2.91 C ATOM 1464 CG LYS A 140 -7.445 -14.009 1.910 1.00 3.65 C ATOM 1465 CD LYS A 140 -6.033 -14.246 1.392 1.00 4.31 C ATOM 1466 CE LYS A 140 -5.601 -15.695 1.562 1.00 5.16 C ATOM 1467 NZ LYS A 140 -5.379 -16.065 2.985 1.00 5.98 N ATOM 0 H LYS A 140 -9.201 -11.023 -0.267 1.00 1.55 H new ATOM 0 HA LYS A 140 -7.026 -12.983 -0.528 1.00 2.37 H new ATOM 0 HB2 LYS A 140 -7.498 -11.881 1.631 1.00 2.91 H new ATOM 0 HB3 LYS A 140 -9.078 -12.640 1.651 1.00 2.91 H new ATOM 0 HG2 LYS A 140 -7.425 -13.910 2.995 1.00 3.65 H new ATOM 0 HG3 LYS A 140 -8.070 -14.872 1.680 1.00 3.65 H new ATOM 0 HD2 LYS A 140 -5.983 -13.974 0.338 1.00 4.31 H new ATOM 0 HD3 LYS A 140 -5.338 -13.595 1.923 1.00 4.31 H new ATOM 0 HE2 LYS A 140 -6.362 -16.349 1.135 1.00 5.16 H new ATOM 0 HE3 LYS A 140 -4.683 -15.864 0.999 1.00 5.16 H new ATOM 0 HZ1 LYS A 140 -5.087 -17.061 3.043 1.00 5.98 H new ATOM 0 HZ2 LYS A 140 -4.634 -15.462 3.388 1.00 5.98 H new ATOM 0 HZ3 LYS A 140 -6.261 -15.931 3.520 1.00 5.98 H new ATOM 1481 N LYS A 141 -10.139 -13.390 -1.202 1.00 3.06 N ATOM 1482 CA LYS A 141 -11.089 -14.166 -1.952 1.00 3.93 C ATOM 1483 C LYS A 141 -10.525 -14.480 -3.339 1.00 4.23 C ATOM 1484 O LYS A 141 -10.692 -13.713 -4.290 1.00 4.43 O ATOM 1485 CB LYS A 141 -12.392 -13.365 -2.041 1.00 4.13 C ATOM 1486 CG LYS A 141 -13.329 -13.780 -3.167 1.00 5.03 C ATOM 1487 CD LYS A 141 -14.542 -12.866 -3.238 1.00 5.51 C ATOM 1488 CE LYS A 141 -15.301 -13.014 -4.551 1.00 6.31 C ATOM 1489 NZ LYS A 141 -15.820 -14.392 -4.762 1.00 6.50 N ATOM 0 H LYS A 141 -10.443 -12.431 -1.031 1.00 3.06 H new ATOM 0 HA LYS A 141 -11.288 -15.118 -1.460 1.00 3.93 H new ATOM 0 HB2 LYS A 141 -12.923 -13.459 -1.094 1.00 4.13 H new ATOM 0 HB3 LYS A 141 -12.145 -12.311 -2.165 1.00 4.13 H new ATOM 0 HG2 LYS A 141 -12.795 -13.754 -4.117 1.00 5.03 H new ATOM 0 HG3 LYS A 141 -13.654 -14.809 -3.013 1.00 5.03 H new ATOM 0 HD2 LYS A 141 -15.211 -13.089 -2.407 1.00 5.51 H new ATOM 0 HD3 LYS A 141 -14.222 -11.831 -3.121 1.00 5.51 H new ATOM 0 HE2 LYS A 141 -16.133 -12.310 -4.566 1.00 6.31 H new ATOM 0 HE3 LYS A 141 -14.643 -12.747 -5.378 1.00 6.31 H new ATOM 0 HZ1 LYS A 141 -16.846 -14.355 -4.931 1.00 6.50 H new ATOM 0 HZ2 LYS A 141 -15.349 -14.818 -5.585 1.00 6.50 H new ATOM 0 HZ3 LYS A 141 -15.629 -14.968 -3.917 1.00 6.50 H new ATOM 1503 N LYS A 142 -9.791 -15.578 -3.430 1.00 4.72 N ATOM 1504 CA LYS A 142 -9.347 -16.080 -4.719 1.00 5.36 C ATOM 1505 C LYS A 142 -9.818 -17.519 -4.886 1.00 5.84 C ATOM 1506 O LYS A 142 -9.340 -18.258 -5.748 1.00 6.44 O ATOM 1507 CB LYS A 142 -7.817 -15.962 -4.890 1.00 6.09 C ATOM 1508 CG LYS A 142 -6.982 -17.058 -4.232 1.00 6.27 C ATOM 1509 CD LYS A 142 -6.975 -16.963 -2.717 1.00 6.25 C ATOM 1510 CE LYS A 142 -5.946 -17.912 -2.117 1.00 7.00 C ATOM 1511 NZ LYS A 142 -6.167 -19.320 -2.544 1.00 7.51 N ATOM 0 H LYS A 142 -9.492 -16.136 -2.630 1.00 4.72 H new ATOM 0 HA LYS A 142 -9.789 -15.465 -5.503 1.00 5.36 H new ATOM 0 HB2 LYS A 142 -7.591 -15.951 -5.956 1.00 6.09 H new ATOM 0 HB3 LYS A 142 -7.500 -15.000 -4.487 1.00 6.09 H new ATOM 0 HG2 LYS A 142 -7.371 -18.032 -4.529 1.00 6.27 H new ATOM 0 HG3 LYS A 142 -5.958 -16.998 -4.600 1.00 6.27 H new ATOM 0 HD2 LYS A 142 -6.752 -15.940 -2.414 1.00 6.25 H new ATOM 0 HD3 LYS A 142 -7.965 -17.202 -2.329 1.00 6.25 H new ATOM 0 HE2 LYS A 142 -4.946 -17.596 -2.414 1.00 7.00 H new ATOM 0 HE3 LYS A 142 -5.989 -17.852 -1.029 1.00 7.00 H new ATOM 0 HZ1 LYS A 142 -5.545 -19.950 -1.998 1.00 7.51 H new ATOM 0 HZ2 LYS A 142 -7.159 -19.582 -2.376 1.00 7.51 H new ATOM 0 HZ3 LYS A 142 -5.951 -19.414 -3.557 1.00 7.51 H new ATOM 1525 N LEU A 143 -10.768 -17.900 -4.036 1.00 5.94 N ATOM 1526 CA LEU A 143 -11.403 -19.203 -4.114 1.00 6.75 C ATOM 1527 C LEU A 143 -12.135 -19.321 -5.440 1.00 7.48 C ATOM 1528 O LEU A 143 -12.035 -20.326 -6.144 1.00 8.28 O ATOM 1529 CB LEU A 143 -12.398 -19.405 -2.958 1.00 7.07 C ATOM 1530 CG LEU A 143 -11.809 -19.544 -1.545 1.00 7.20 C ATOM 1531 CD1 LEU A 143 -10.710 -20.592 -1.523 1.00 7.67 C ATOM 1532 CD2 LEU A 143 -11.295 -18.211 -1.014 1.00 7.50 C ATOM 0 H LEU A 143 -11.115 -17.313 -3.278 1.00 5.94 H new ATOM 0 HA LEU A 143 -10.633 -19.971 -4.039 1.00 6.75 H new ATOM 0 HB2 LEU A 143 -13.089 -18.562 -2.955 1.00 7.07 H new ATOM 0 HB3 LEU A 143 -12.986 -20.298 -3.169 1.00 7.07 H new ATOM 0 HG LEU A 143 -12.613 -19.870 -0.885 1.00 7.20 H new ATOM 0 HD11 LEU A 143 -10.306 -20.675 -0.514 1.00 7.67 H new ATOM 0 HD12 LEU A 143 -11.119 -21.554 -1.830 1.00 7.67 H new ATOM 0 HD13 LEU A 143 -9.915 -20.300 -2.209 1.00 7.67 H new ATOM 0 HD21 LEU A 143 -10.887 -18.351 -0.013 1.00 7.50 H new ATOM 0 HD22 LEU A 143 -10.515 -17.833 -1.675 1.00 7.50 H new ATOM 0 HD23 LEU A 143 -12.115 -17.495 -0.974 1.00 7.50 H new ATOM 1544 N ASN A 144 -12.853 -18.258 -5.766 1.00 7.45 N ATOM 1545 CA ASN A 144 -13.587 -18.140 -7.005 1.00 8.37 C ATOM 1546 C ASN A 144 -13.934 -16.676 -7.222 1.00 8.41 C ATOM 1547 O ASN A 144 -13.707 -16.169 -8.338 1.00 8.66 O ATOM 1548 CB ASN A 144 -14.855 -19.013 -7.023 1.00 8.96 C ATOM 1549 CG ASN A 144 -15.886 -18.670 -5.950 1.00 9.14 C ATOM 1550 OD1 ASN A 144 -17.092 -18.761 -6.187 1.00 9.67 O ATOM 1551 ND2 ASN A 144 -15.433 -18.323 -4.756 1.00 8.96 N ATOM 1552 OXT ASN A 144 -14.357 -16.023 -6.243 1.00 8.44 O ATOM 0 H ASN A 144 -12.940 -17.441 -5.162 1.00 7.45 H new ATOM 0 HA ASN A 144 -12.958 -18.503 -7.818 1.00 8.37 H new ATOM 0 HB2 ASN A 144 -15.327 -18.923 -8.002 1.00 8.96 H new ATOM 0 HB3 ASN A 144 -14.562 -20.056 -6.905 1.00 8.96 H new ATOM 0 HD21 ASN A 144 -16.088 -18.122 -4.001 1.00 8.96 H new ATOM 0 HD22 ASN A 144 -14.429 -18.256 -4.591 1.00 8.96 H new TER 1559 ASN A 144 ATOM 1560 N GLY B 22 5.973 -22.424 6.041 1.00 6.31 N ATOM 1561 CA GLY B 22 7.032 -21.403 5.867 1.00 6.12 C ATOM 1562 C GLY B 22 6.487 -20.144 5.244 1.00 5.43 C ATOM 1563 O GLY B 22 5.287 -19.885 5.316 1.00 5.38 O ATOM 0 HA2 GLY B 22 7.476 -21.169 6.835 1.00 6.12 H new ATOM 0 HA3 GLY B 22 7.828 -21.806 5.240 1.00 6.12 H new ATOM 1569 N SER B 23 7.351 -19.368 4.612 1.00 5.22 N ATOM 1570 CA SER B 23 6.922 -18.156 3.947 1.00 4.79 C ATOM 1571 C SER B 23 6.504 -18.492 2.520 1.00 4.18 C ATOM 1572 O SER B 23 7.155 -18.099 1.550 1.00 4.62 O ATOM 1573 CB SER B 23 8.040 -17.105 3.958 1.00 5.71 C ATOM 1574 OG SER B 23 7.517 -15.799 3.761 1.00 6.30 O ATOM 0 H SER B 23 8.351 -19.558 4.547 1.00 5.22 H new ATOM 0 HA SER B 23 6.070 -17.733 4.480 1.00 4.79 H new ATOM 0 HB2 SER B 23 8.573 -17.147 4.908 1.00 5.71 H new ATOM 0 HB3 SER B 23 8.764 -17.332 3.176 1.00 5.71 H new ATOM 0 HG SER B 23 8.008 -15.356 3.037 1.00 6.30 H new ATOM 1580 N GLN B 24 5.418 -19.249 2.398 1.00 3.65 N ATOM 1581 CA GLN B 24 4.908 -19.633 1.093 1.00 3.63 C ATOM 1582 C GLN B 24 4.324 -18.415 0.404 1.00 2.91 C ATOM 1583 O GLN B 24 4.294 -18.330 -0.821 1.00 3.33 O ATOM 1584 CB GLN B 24 3.865 -20.744 1.213 1.00 4.12 C ATOM 1585 CG GLN B 24 4.405 -22.024 1.822 1.00 4.90 C ATOM 1586 CD GLN B 24 5.499 -22.684 1.001 1.00 5.51 C ATOM 1587 OE1 GLN B 24 6.258 -22.025 0.285 1.00 5.87 O ATOM 1588 NE2 GLN B 24 5.599 -23.995 1.112 1.00 6.00 N ATOM 0 H GLN B 24 4.878 -19.606 3.186 1.00 3.65 H new ATOM 0 HA GLN B 24 5.730 -20.024 0.494 1.00 3.63 H new ATOM 0 HB2 GLN B 24 3.034 -20.386 1.820 1.00 4.12 H new ATOM 0 HB3 GLN B 24 3.465 -20.964 0.223 1.00 4.12 H new ATOM 0 HG2 GLN B 24 4.793 -21.806 2.817 1.00 4.90 H new ATOM 0 HG3 GLN B 24 3.584 -22.729 1.948 1.00 4.90 H new ATOM 0 HE21 GLN B 24 4.954 -24.507 1.714 1.00 6.00 H new ATOM 0 HE22 GLN B 24 6.322 -24.497 0.596 1.00 6.00 H new ATOM 1597 N GLU B 25 3.869 -17.468 1.206 1.00 2.35 N ATOM 1598 CA GLU B 25 3.485 -16.173 0.696 1.00 2.01 C ATOM 1599 C GLU B 25 4.086 -15.075 1.559 1.00 1.56 C ATOM 1600 O GLU B 25 4.055 -15.141 2.789 1.00 1.77 O ATOM 1601 CB GLU B 25 1.967 -16.023 0.633 1.00 2.30 C ATOM 1602 CG GLU B 25 1.265 -16.079 1.981 1.00 2.88 C ATOM 1603 CD GLU B 25 -0.192 -15.681 1.885 1.00 3.50 C ATOM 1604 OE1 GLU B 25 -0.478 -14.556 1.426 1.00 3.84 O ATOM 1605 OE2 GLU B 25 -1.063 -16.495 2.261 1.00 4.06 O ATOM 0 H GLU B 25 3.758 -17.577 2.214 1.00 2.35 H new ATOM 0 HA GLU B 25 3.870 -16.085 -0.320 1.00 2.01 H new ATOM 0 HB2 GLU B 25 1.729 -15.073 0.154 1.00 2.30 H new ATOM 0 HB3 GLU B 25 1.564 -16.810 -0.004 1.00 2.30 H new ATOM 0 HG2 GLU B 25 1.338 -17.089 2.385 1.00 2.88 H new ATOM 0 HG3 GLU B 25 1.775 -15.418 2.682 1.00 2.88 H new ATOM 1612 N ASP B 26 4.655 -14.083 0.908 1.00 1.15 N ATOM 1613 CA ASP B 26 5.220 -12.942 1.606 1.00 0.84 C ATOM 1614 C ASP B 26 4.237 -11.781 1.523 1.00 0.89 C ATOM 1615 O ASP B 26 3.345 -11.782 0.674 1.00 1.83 O ATOM 1616 CB ASP B 26 6.564 -12.539 0.987 1.00 0.68 C ATOM 1617 CG ASP B 26 7.574 -13.669 0.956 1.00 1.00 C ATOM 1618 OD1 ASP B 26 8.277 -13.881 1.965 1.00 1.27 O ATOM 1619 OD2 ASP B 26 7.671 -14.343 -0.092 1.00 1.49 O ATOM 0 H ASP B 26 4.740 -14.041 -0.108 1.00 1.15 H new ATOM 0 HA ASP B 26 5.395 -13.207 2.649 1.00 0.84 H new ATOM 0 HB2 ASP B 26 6.396 -12.184 -0.030 1.00 0.68 H new ATOM 0 HB3 ASP B 26 6.980 -11.705 1.551 1.00 0.68 H new ATOM 1624 N SER B 27 4.372 -10.810 2.412 1.00 0.55 N ATOM 1625 CA SER B 27 3.508 -9.645 2.397 1.00 0.54 C ATOM 1626 C SER B 27 4.323 -8.370 2.529 1.00 0.44 C ATOM 1627 O SER B 27 4.395 -7.550 1.614 1.00 0.53 O ATOM 1628 CB SER B 27 2.500 -9.774 3.522 1.00 0.75 C ATOM 1629 OG SER B 27 1.743 -10.967 3.380 1.00 1.37 O ATOM 0 H SER B 27 5.073 -10.807 3.153 1.00 0.55 H new ATOM 0 HA SER B 27 2.978 -9.590 1.446 1.00 0.54 H new ATOM 0 HB2 SER B 27 3.016 -9.777 4.482 1.00 0.75 H new ATOM 0 HB3 SER B 27 1.833 -8.912 3.521 1.00 0.75 H new ATOM 0 HG SER B 27 1.099 -11.035 4.115 1.00 1.37 H new ATOM 1635 N ASP B 28 4.936 -8.218 3.671 1.00 0.43 N ATOM 1636 CA ASP B 28 5.887 -7.145 3.897 1.00 0.37 C ATOM 1637 C ASP B 28 7.240 -7.574 3.364 1.00 0.33 C ATOM 1638 O ASP B 28 7.973 -6.792 2.758 1.00 0.31 O ATOM 1639 CB ASP B 28 5.972 -6.797 5.398 1.00 0.44 C ATOM 1640 CG ASP B 28 6.239 -8.004 6.284 1.00 0.95 C ATOM 1641 OD1 ASP B 28 5.583 -9.049 6.088 1.00 1.07 O ATOM 1642 OD2 ASP B 28 7.131 -7.927 7.157 1.00 1.83 O ATOM 0 H ASP B 28 4.796 -8.830 4.475 1.00 0.43 H new ATOM 0 HA ASP B 28 5.558 -6.248 3.373 1.00 0.37 H new ATOM 0 HB2 ASP B 28 6.763 -6.063 5.549 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.038 -6.328 5.708 1.00 0.44 H new ATOM 1647 N SER B 29 7.532 -8.849 3.535 1.00 0.36 N ATOM 1648 CA SER B 29 8.804 -9.399 3.120 1.00 0.34 C ATOM 1649 C SER B 29 8.970 -9.370 1.605 1.00 0.33 C ATOM 1650 O SER B 29 10.091 -9.447 1.109 1.00 0.34 O ATOM 1651 CB SER B 29 8.929 -10.824 3.622 1.00 0.39 C ATOM 1652 OG SER B 29 8.046 -11.055 4.710 1.00 1.07 O ATOM 0 H SER B 29 6.899 -9.526 3.962 1.00 0.36 H new ATOM 0 HA SER B 29 9.591 -8.780 3.550 1.00 0.34 H new ATOM 0 HB2 SER B 29 8.706 -11.520 2.813 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.956 -11.016 3.934 1.00 0.39 H new ATOM 0 HG SER B 29 8.141 -11.981 5.018 1.00 1.07 H new ATOM 1658 N GLU B 30 7.854 -9.247 0.880 1.00 0.35 N ATOM 1659 CA GLU B 30 7.881 -9.192 -0.592 1.00 0.37 C ATOM 1660 C GLU B 30 8.874 -8.147 -1.053 1.00 0.34 C ATOM 1661 O GLU B 30 9.587 -8.318 -2.042 1.00 0.39 O ATOM 1662 CB GLU B 30 6.532 -8.811 -1.181 1.00 0.45 C ATOM 1663 CG GLU B 30 5.362 -9.527 -0.595 1.00 0.68 C ATOM 1664 CD GLU B 30 4.128 -9.475 -1.478 1.00 1.37 C ATOM 1665 OE1 GLU B 30 4.073 -10.235 -2.467 1.00 1.57 O ATOM 1666 OE2 GLU B 30 3.205 -8.690 -1.183 1.00 2.33 O ATOM 0 H GLU B 30 6.920 -9.183 1.284 1.00 0.35 H new ATOM 0 HA GLU B 30 8.157 -10.190 -0.931 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.385 -7.739 -1.050 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.555 -9.001 -2.254 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.632 -10.568 -0.419 1.00 0.68 H new ATOM 0 HG3 GLU B 30 5.126 -9.091 0.375 1.00 0.68 H new ATOM 1673 N LEU B 31 8.884 -7.059 -0.314 1.00 0.28 N ATOM 1674 CA LEU B 31 9.732 -5.926 -0.586 1.00 0.24 C ATOM 1675 C LEU B 31 11.156 -6.265 -0.217 1.00 0.25 C ATOM 1676 O LEU B 31 12.088 -6.130 -1.008 1.00 0.26 O ATOM 1677 CB LEU B 31 9.288 -4.755 0.267 1.00 0.20 C ATOM 1678 CG LEU B 31 7.925 -4.141 -0.045 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.879 -3.564 -1.441 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.820 -5.145 0.154 1.00 0.24 C ATOM 0 H LEU B 31 8.291 -6.938 0.507 1.00 0.28 H new ATOM 0 HA LEU B 31 9.666 -5.673 -1.644 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.282 -5.078 1.308 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.040 -3.970 0.181 1.00 0.20 H new ATOM 0 HG LEU B 31 7.772 -3.321 0.656 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.893 -3.136 -1.626 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.636 -2.786 -1.538 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.074 -4.353 -2.167 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.861 -4.681 -0.075 1.00 0.24 H new ATOM 0 HD22 LEU B 31 6.978 -5.996 -0.508 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.820 -5.486 1.189 1.00 0.24 H new ATOM 1692 N GLU B 32 11.270 -6.732 1.011 1.00 0.26 N ATOM 1693 CA GLU B 32 12.540 -7.080 1.639 1.00 0.29 C ATOM 1694 C GLU B 32 13.366 -8.041 0.794 1.00 0.33 C ATOM 1695 O GLU B 32 14.583 -8.130 0.952 1.00 0.38 O ATOM 1696 CB GLU B 32 12.289 -7.716 3.004 1.00 0.29 C ATOM 1697 CG GLU B 32 11.378 -6.914 3.922 1.00 0.26 C ATOM 1698 CD GLU B 32 11.319 -7.524 5.308 1.00 0.34 C ATOM 1699 OE1 GLU B 32 12.307 -7.413 6.058 1.00 0.47 O ATOM 1700 OE2 GLU B 32 10.271 -8.103 5.660 1.00 0.59 O ATOM 0 H GLU B 32 10.465 -6.885 1.619 1.00 0.26 H new ATOM 0 HA GLU B 32 13.104 -6.153 1.743 1.00 0.29 H new ATOM 0 HB2 GLU B 32 11.853 -8.704 2.855 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.247 -7.863 3.503 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.738 -5.887 3.989 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.375 -6.873 3.497 1.00 0.26 H new ATOM 1707 N GLN B 33 12.694 -8.753 -0.093 1.00 0.35 N ATOM 1708 CA GLN B 33 13.335 -9.744 -0.950 1.00 0.40 C ATOM 1709 C GLN B 33 14.474 -9.133 -1.743 1.00 0.39 C ATOM 1710 O GLN B 33 15.528 -9.746 -1.916 1.00 0.48 O ATOM 1711 CB GLN B 33 12.326 -10.336 -1.920 1.00 0.43 C ATOM 1712 CG GLN B 33 11.107 -10.911 -1.251 1.00 0.47 C ATOM 1713 CD GLN B 33 11.424 -12.070 -0.333 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.488 -13.219 -0.764 1.00 0.66 O ATOM 1715 NE2 GLN B 33 11.600 -11.780 0.940 1.00 0.57 N ATOM 0 H GLN B 33 11.689 -8.663 -0.242 1.00 0.35 H new ATOM 0 HA GLN B 33 13.733 -10.526 -0.303 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.013 -9.563 -2.622 1.00 0.43 H new ATOM 0 HB3 GLN B 33 12.812 -11.118 -2.503 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.611 -10.127 -0.679 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.403 -11.242 -2.015 1.00 0.47 H new ATOM 0 HE21 GLN B 33 11.538 -10.812 1.256 1.00 0.57 H new ATOM 0 HE22 GLN B 33 11.798 -12.523 1.610 1.00 0.57 H new ATOM 1724 N TYR B 34 14.250 -7.924 -2.230 1.00 0.32 N ATOM 1725 CA TYR B 34 15.223 -7.270 -3.078 1.00 0.32 C ATOM 1726 C TYR B 34 15.618 -5.883 -2.573 1.00 0.30 C ATOM 1727 O TYR B 34 16.731 -5.430 -2.838 1.00 0.37 O ATOM 1728 CB TYR B 34 14.706 -7.185 -4.516 1.00 0.32 C ATOM 1729 CG TYR B 34 13.197 -7.119 -4.652 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.445 -6.197 -3.936 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.526 -7.973 -5.519 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.084 -6.126 -4.075 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.154 -7.908 -5.662 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.437 -6.982 -4.936 1.00 0.34 C ATOM 1735 OH TYR B 34 9.072 -6.905 -5.081 1.00 0.40 O ATOM 0 H TYR B 34 13.406 -7.380 -2.052 1.00 0.32 H new ATOM 0 HA TYR B 34 16.124 -7.883 -3.050 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.137 -6.303 -4.990 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.068 -8.052 -5.068 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.943 -5.522 -3.256 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.086 -8.699 -6.090 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.520 -5.399 -3.510 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.646 -8.579 -6.339 1.00 0.42 H new ATOM 0 HH TYR B 34 8.729 -6.155 -4.551 1.00 0.40 H new ATOM 1745 N PHE B 35 14.736 -5.204 -1.845 1.00 0.27 N ATOM 1746 CA PHE B 35 15.040 -3.851 -1.403 1.00 0.26 C ATOM 1747 C PHE B 35 14.450 -3.551 -0.034 1.00 0.25 C ATOM 1748 O PHE B 35 13.385 -4.044 0.315 1.00 0.25 O ATOM 1749 CB PHE B 35 14.572 -2.809 -2.440 1.00 0.25 C ATOM 1750 CG PHE B 35 13.120 -2.867 -2.833 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.113 -2.769 -1.893 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.772 -2.999 -4.168 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.795 -2.809 -2.264 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.446 -3.042 -4.550 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.454 -2.948 -3.595 1.00 0.18 C ATOM 0 H PHE B 35 13.825 -5.560 -1.555 1.00 0.27 H new ATOM 0 HA PHE B 35 16.124 -3.782 -1.312 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.780 -1.815 -2.044 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.175 -2.927 -3.340 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.369 -2.659 -0.849 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.546 -3.069 -4.918 1.00 0.22 H new ATOM 0 HE1 PHE B 35 10.021 -2.732 -1.514 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.186 -3.149 -5.593 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.415 -2.983 -3.888 1.00 0.18 H new ATOM 1765 N THR B 36 15.175 -2.759 0.743 1.00 0.27 N ATOM 1766 CA THR B 36 14.705 -2.271 2.031 1.00 0.27 C ATOM 1767 C THR B 36 15.538 -1.083 2.482 1.00 0.32 C ATOM 1768 O THR B 36 16.279 -0.498 1.691 1.00 0.45 O ATOM 1769 CB THR B 36 14.740 -3.354 3.128 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.830 -4.258 2.908 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.424 -4.106 3.187 1.00 0.27 C ATOM 0 H THR B 36 16.110 -2.435 0.496 1.00 0.27 H new ATOM 0 HA THR B 36 13.666 -1.974 1.888 1.00 0.27 H new ATOM 0 HB THR B 36 14.891 -2.861 4.088 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.839 -4.938 3.614 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.473 -4.865 3.968 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.616 -3.409 3.409 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.236 -4.586 2.227 1.00 0.27 H new ATOM 1779 N ALA B 37 15.403 -0.732 3.748 1.00 0.32 N ATOM 1780 CA ALA B 37 16.144 0.373 4.330 1.00 0.35 C ATOM 1781 C ALA B 37 17.053 -0.137 5.439 1.00 0.43 C ATOM 1782 O ALA B 37 17.394 -1.322 5.470 1.00 0.53 O ATOM 1783 CB ALA B 37 15.180 1.407 4.886 1.00 0.29 C ATOM 0 H ALA B 37 14.778 -1.204 4.401 1.00 0.32 H new ATOM 0 HA ALA B 37 16.755 0.837 3.556 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.743 2.233 5.321 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.547 1.783 4.083 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.557 0.948 5.654 1.00 0.29 H new ATOM 1789 N ARG B 38 17.417 0.764 6.347 1.00 0.44 N ATOM 1790 CA ARG B 38 18.225 0.437 7.521 1.00 0.52 C ATOM 1791 C ARG B 38 17.693 -0.811 8.235 1.00 0.56 C ATOM 1792 O ARG B 38 18.398 -1.812 8.364 1.00 0.67 O ATOM 1793 CB ARG B 38 18.226 1.646 8.472 1.00 0.57 C ATOM 1794 CG ARG B 38 16.834 2.023 8.975 1.00 0.67 C ATOM 1795 CD ARG B 38 16.707 3.483 9.304 1.00 0.93 C ATOM 1796 NE ARG B 38 17.753 3.947 10.218 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.519 4.404 11.452 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.276 4.446 11.931 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.528 4.810 12.210 1.00 2.94 N ATOM 0 H ARG B 38 17.158 1.749 6.290 1.00 0.44 H new ATOM 0 HA ARG B 38 19.244 0.215 7.202 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.866 1.426 9.327 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.663 2.502 7.959 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.096 1.761 8.217 1.00 0.67 H new ATOM 0 HG3 ARG B 38 16.602 1.434 9.862 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.750 4.064 8.383 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.730 3.667 9.752 1.00 0.93 H new ATOM 0 HE ARG B 38 18.719 3.920 9.893 1.00 1.60 H new ATOM 0 HH11 ARG B 38 15.496 4.128 11.355 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.104 4.796 12.874 1.00 2.75 H new ATOM 0 HH21 ARG B 38 19.482 4.774 11.851 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.350 5.159 13.152 1.00 2.94 H new ATOM 1813 N TRP B 39 16.431 -0.726 8.648 1.00 0.54 N ATOM 1814 CA TRP B 39 15.715 -1.769 9.353 1.00 0.64 C ATOM 1815 C TRP B 39 16.553 -2.426 10.445 1.00 0.85 C ATOM 1816 O TRP B 39 16.610 -1.863 11.559 1.00 1.41 O ATOM 1817 CB TRP B 39 15.191 -2.792 8.365 1.00 0.60 C ATOM 1818 CG TRP B 39 14.151 -2.222 7.470 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.158 -0.992 6.889 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.941 -2.854 7.079 1.00 0.35 C ATOM 1821 NE1 TRP B 39 13.030 -0.835 6.117 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.267 -1.973 6.221 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.371 -4.091 7.359 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.045 -2.301 5.646 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.156 -4.399 6.795 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.510 -3.512 5.944 1.00 0.25 C ATOM 1827 OXT TRP B 39 17.144 -3.499 10.198 1.00 1.45 O ATOM 0 H TRP B 39 15.863 0.107 8.491 1.00 0.54 H new ATOM 0 HA TRP B 39 14.872 -1.303 9.863 1.00 0.64 H new ATOM 0 HB2 TRP B 39 16.017 -3.172 7.764 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.776 -3.641 8.908 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.933 -0.250 7.015 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.799 -0.012 5.561 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.873 -4.795 8.006 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.538 -1.615 4.984 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.695 -5.350 7.018 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.561 -3.792 5.510 1.00 0.25 H new TER 1838 TRP B 39