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 96 HIS : no HD1:sc= -2.38 K(o=-2.5,f=-3.3!) USER MOD Set 1.2: A 142 LYS NZ :NH3+ -161:sc= -0.11 (180deg=-0.465) USER MOD Set 2.1: A 81 HIS : no HD1:sc= 0.701 K(o=1.2,f=-2.6) USER MOD Set 2.2: A 124 TYR OH : rot 89:sc= 0.504 USER MOD Set 3.1: A 74 CYS SG : rot -53:sc= -0.23 USER MOD Set 3.2: A 78 THR OG1 : rot -31:sc= 2.17 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 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -2.43! (180deg=-4.15!) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 0.0776 (180deg=0) USER MOD Single : A 58 CYS SG : rot -59:sc= 0.33 USER MOD Single : A 59 TYR OH : rot -130:sc= -0.391 USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= 1.29 (180deg=0.592) USER MOD Single : A 63 ASN : amide:sc= -4.17! K(o=-4.2!,f=-0.79) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -0.0137 (180deg=-0.153) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.613 (180deg=0.601) USER MOD Single : A 76 MET CE :methyl -131:sc= -0.84 (180deg=-3.58!) USER MOD Single : A 77 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.6!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.298 K(o=-0.3,f=-0.96) USER MOD Single : A 92 GLN : amide:sc=-0.00687 K(o=-0.0069,f=-0.86) USER MOD Single : A 93 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.081) USER MOD Single : A 97 SER OG : rot -16:sc= 0.237 USER MOD Single : A 102 SER OG : rot -108:sc= 0.149 USER MOD Single : A 106 CYS SG : rot 129:sc= 1.22 USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 110 SER OG : rot 180:sc= 0 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+ -156:sc= -0.0214 (180deg=-0.465) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -9.93! C(o=-9.9!,f=-9.7!) USER MOD Single : A 131 CYS SG : rot 152:sc= -0.871 USER MOD Single : A 132 THR OG1 : rot 70:sc= 0.112 USER MOD Single : A 135 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.13) USER MOD Single : A 137 HIS : no HD1:sc= -0.442 K(o=-0.44,f=0.12) USER MOD Single : A 138 SER OG : rot -50:sc= -0.0785 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 161:sc= -1.87! (180deg=-2.81!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 SER OG : rot -37:sc= 0.73 USER MOD Single : B 24 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.02) USER MOD Single : B 27 SER OG : rot 4:sc= 0.18 USER MOD Single : B 29 SER OG : rot 137:sc= 1.02 USER MOD Single : B 33 GLN : amide:sc= 0.402 X(o=0.4,f=-0.045) USER MOD Single : B 34 TYR OH : rot 0:sc= 0.456 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -20.216 13.155 10.385 1.00 10.57 N ATOM 2 CA GLY A 51 -19.020 12.585 9.723 1.00 9.93 C ATOM 3 C GLY A 51 -18.926 11.086 9.909 1.00 9.27 C ATOM 4 O GLY A 51 -19.133 10.582 11.017 1.00 9.29 O ATOM 0 HA2 GLY A 51 -19.051 12.816 8.658 1.00 9.93 H new ATOM 0 HA3 GLY A 51 -18.124 13.057 10.126 1.00 9.93 H new ATOM 10 N SER A 52 -18.622 10.379 8.820 1.00 8.95 N ATOM 11 CA SER A 52 -18.443 8.928 8.844 1.00 8.59 C ATOM 12 C SER A 52 -19.752 8.208 9.187 1.00 7.80 C ATOM 13 O SER A 52 -20.806 8.837 9.309 1.00 7.91 O ATOM 14 CB SER A 52 -17.351 8.544 9.851 1.00 9.23 C ATOM 15 OG SER A 52 -16.178 9.315 9.648 1.00 9.51 O ATOM 0 H SER A 52 -18.493 10.796 7.898 1.00 8.95 H new ATOM 0 HA SER A 52 -18.137 8.613 7.846 1.00 8.59 H new ATOM 0 HB2 SER A 52 -17.718 8.695 10.866 1.00 9.23 H new ATOM 0 HB3 SER A 52 -17.116 7.484 9.751 1.00 9.23 H new ATOM 0 HG SER A 52 -15.497 9.053 10.303 1.00 9.51 H new ATOM 21 N HIS A 53 -19.670 6.881 9.314 1.00 7.28 N ATOM 22 CA HIS A 53 -20.803 6.048 9.734 1.00 6.80 C ATOM 23 C HIS A 53 -22.003 6.235 8.805 1.00 5.91 C ATOM 24 O HIS A 53 -23.012 6.842 9.176 1.00 6.03 O ATOM 25 CB HIS A 53 -21.195 6.358 11.187 1.00 7.25 C ATOM 26 CG HIS A 53 -20.045 6.285 12.150 1.00 7.97 C ATOM 27 ND1 HIS A 53 -19.954 7.134 13.225 1.00 8.46 N ATOM 28 CD2 HIS A 53 -18.964 5.467 12.143 1.00 8.53 C ATOM 29 CE1 HIS A 53 -18.825 6.821 13.839 1.00 9.23 C ATOM 30 NE2 HIS A 53 -18.190 5.817 13.221 1.00 9.30 N ATOM 0 H HIS A 53 -18.817 6.353 9.129 1.00 7.28 H new ATOM 0 HA HIS A 53 -20.490 5.006 9.673 1.00 6.80 H new ATOM 0 HB2 HIS A 53 -21.632 7.356 11.231 1.00 7.25 H new ATOM 0 HB3 HIS A 53 -21.968 5.657 11.503 1.00 7.25 H new ATOM 0 HD2 HIS A 53 -18.752 4.688 11.426 1.00 8.53 H new ATOM 0 HE1 HIS A 53 -18.461 7.314 14.728 1.00 9.23 H new ATOM 0 HE2 HIS A 53 -17.304 5.395 13.498 1.00 9.30 H new ATOM 38 N MET A 54 -21.887 5.700 7.596 1.00 5.30 N ATOM 39 CA MET A 54 -22.931 5.833 6.582 1.00 4.57 C ATOM 40 C MET A 54 -23.092 4.521 5.822 1.00 4.14 C ATOM 41 O MET A 54 -22.854 4.462 4.614 1.00 4.31 O ATOM 42 CB MET A 54 -22.587 6.956 5.594 1.00 4.58 C ATOM 43 CG MET A 54 -22.548 8.345 6.211 1.00 4.17 C ATOM 44 SD MET A 54 -22.107 9.620 5.013 1.00 4.68 S ATOM 45 CE MET A 54 -22.142 11.082 6.049 1.00 5.36 C ATOM 0 H MET A 54 -21.074 5.165 7.290 1.00 5.30 H new ATOM 0 HA MET A 54 -23.866 6.080 7.085 1.00 4.57 H new ATOM 0 HB2 MET A 54 -21.617 6.744 5.145 1.00 4.58 H new ATOM 0 HB3 MET A 54 -23.320 6.951 4.787 1.00 4.58 H new ATOM 0 HG2 MET A 54 -23.523 8.576 6.640 1.00 4.17 H new ATOM 0 HG3 MET A 54 -21.828 8.356 7.030 1.00 4.17 H new ATOM 0 HE1 MET A 54 -21.890 11.958 5.451 1.00 5.36 H new ATOM 0 HE2 MET A 54 -23.140 11.206 6.470 1.00 5.36 H new ATOM 0 HE3 MET A 54 -21.418 10.973 6.857 1.00 5.36 H new ATOM 55 N GLY A 55 -23.492 3.475 6.540 1.00 4.00 N ATOM 56 CA GLY A 55 -23.599 2.154 5.949 1.00 3.88 C ATOM 57 C GLY A 55 -22.253 1.649 5.474 1.00 3.32 C ATOM 58 O GLY A 55 -21.379 1.332 6.283 1.00 3.61 O ATOM 0 H GLY A 55 -23.745 3.521 7.527 1.00 4.00 H new ATOM 0 HA2 GLY A 55 -24.012 1.459 6.680 1.00 3.88 H new ATOM 0 HA3 GLY A 55 -24.294 2.185 5.110 1.00 3.88 H new ATOM 62 N LYS A 56 -22.088 1.571 4.167 1.00 2.94 N ATOM 63 CA LYS A 56 -20.813 1.289 3.576 1.00 2.69 C ATOM 64 C LYS A 56 -20.257 2.596 3.022 1.00 2.34 C ATOM 65 O LYS A 56 -20.763 3.140 2.035 1.00 2.48 O ATOM 66 CB LYS A 56 -20.978 0.233 2.485 1.00 2.93 C ATOM 67 CG LYS A 56 -19.965 0.357 1.378 1.00 3.20 C ATOM 68 CD LYS A 56 -20.270 -0.574 0.210 1.00 3.88 C ATOM 69 CE LYS A 56 -21.407 -0.057 -0.672 1.00 4.35 C ATOM 70 NZ LYS A 56 -22.723 -0.041 0.025 1.00 4.58 N ATOM 0 H LYS A 56 -22.841 1.703 3.492 1.00 2.94 H new ATOM 0 HA LYS A 56 -20.114 0.889 4.311 1.00 2.69 H new ATOM 0 HB2 LYS A 56 -20.897 -0.758 2.933 1.00 2.93 H new ATOM 0 HB3 LYS A 56 -21.980 0.311 2.062 1.00 2.93 H new ATOM 0 HG2 LYS A 56 -19.942 1.387 1.023 1.00 3.20 H new ATOM 0 HG3 LYS A 56 -18.973 0.133 1.769 1.00 3.20 H new ATOM 0 HD2 LYS A 56 -19.372 -0.697 -0.396 1.00 3.88 H new ATOM 0 HD3 LYS A 56 -20.533 -1.560 0.595 1.00 3.88 H new ATOM 0 HE2 LYS A 56 -21.168 0.952 -1.009 1.00 4.35 H new ATOM 0 HE3 LYS A 56 -21.481 -0.681 -1.562 1.00 4.35 H new ATOM 0 HZ1 LYS A 56 -23.487 -0.152 -0.672 1.00 4.58 H new ATOM 0 HZ2 LYS A 56 -22.763 -0.823 0.710 1.00 4.58 H new ATOM 0 HZ3 LYS A 56 -22.840 0.863 0.525 1.00 4.58 H new ATOM 84 N LYS A 57 -19.245 3.115 3.687 1.00 2.10 N ATOM 85 CA LYS A 57 -18.729 4.431 3.382 1.00 1.85 C ATOM 86 C LYS A 57 -17.485 4.337 2.510 1.00 1.54 C ATOM 87 O LYS A 57 -16.383 4.057 2.986 1.00 1.68 O ATOM 88 CB LYS A 57 -18.464 5.179 4.681 1.00 1.99 C ATOM 89 CG LYS A 57 -18.181 6.660 4.509 1.00 1.98 C ATOM 90 CD LYS A 57 -19.161 7.331 3.577 1.00 2.02 C ATOM 91 CE LYS A 57 -18.940 8.834 3.535 1.00 2.40 C ATOM 92 NZ LYS A 57 -19.709 9.483 2.445 1.00 3.04 N ATOM 0 H LYS A 57 -18.761 2.639 4.449 1.00 2.10 H new ATOM 0 HA LYS A 57 -19.468 4.991 2.809 1.00 1.85 H new ATOM 0 HB2 LYS A 57 -19.327 5.061 5.336 1.00 1.99 H new ATOM 0 HB3 LYS A 57 -17.616 4.716 5.185 1.00 1.99 H new ATOM 0 HG2 LYS A 57 -18.217 7.149 5.482 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -17.170 6.791 4.124 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -19.055 6.917 2.574 1.00 2.02 H new ATOM 0 HD3 LYS A 57 -20.179 7.120 3.903 1.00 2.02 H new ATOM 0 HE2 LYS A 57 -19.230 9.269 4.491 1.00 2.40 H new ATOM 0 HE3 LYS A 57 -17.878 9.040 3.401 1.00 2.40 H new ATOM 0 HZ1 LYS A 57 -19.206 10.335 2.125 1.00 3.04 H new ATOM 0 HZ2 LYS A 57 -19.809 8.821 1.649 1.00 3.04 H new ATOM 0 HZ3 LYS A 57 -20.652 9.748 2.795 1.00 3.04 H new ATOM 106 N CYS A 58 -17.693 4.578 1.228 1.00 1.34 N ATOM 107 CA CYS A 58 -16.665 4.415 0.215 1.00 1.07 C ATOM 108 C CYS A 58 -15.874 5.703 -0.008 1.00 0.85 C ATOM 109 O CYS A 58 -16.448 6.790 -0.083 1.00 1.07 O ATOM 110 CB CYS A 58 -17.332 3.979 -1.084 1.00 1.26 C ATOM 111 SG CYS A 58 -18.001 2.301 -1.043 1.00 1.99 S ATOM 0 H CYS A 58 -18.589 4.895 0.857 1.00 1.34 H new ATOM 0 HA CYS A 58 -15.956 3.660 0.555 1.00 1.07 H new ATOM 0 HB2 CYS A 58 -18.138 4.674 -1.317 1.00 1.26 H new ATOM 0 HB3 CYS A 58 -16.606 4.050 -1.894 1.00 1.26 H new ATOM 0 HG CYS A 58 -17.046 1.459 -0.780 1.00 1.99 H new ATOM 117 N TYR A 59 -14.554 5.569 -0.101 1.00 0.57 N ATOM 118 CA TYR A 59 -13.670 6.697 -0.382 1.00 0.44 C ATOM 119 C TYR A 59 -12.720 6.384 -1.522 1.00 0.41 C ATOM 120 O TYR A 59 -11.536 6.702 -1.434 1.00 0.42 O ATOM 121 CB TYR A 59 -12.863 7.074 0.862 1.00 0.66 C ATOM 122 CG TYR A 59 -13.688 7.776 1.889 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.557 7.061 2.669 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.611 9.144 2.064 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.343 7.680 3.607 1.00 1.27 C ATOM 126 CE2 TYR A 59 -14.390 9.782 3.004 1.00 1.30 C ATOM 127 CZ TYR A 59 -15.259 9.045 3.774 1.00 1.34 C ATOM 128 OH TYR A 59 -16.052 9.675 4.706 1.00 1.64 O ATOM 0 H TYR A 59 -14.068 4.680 0.016 1.00 0.57 H new ATOM 0 HA TYR A 59 -14.300 7.538 -0.673 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.434 6.172 1.300 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -12.030 7.714 0.570 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.625 5.990 2.543 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.931 9.721 1.455 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.025 7.100 4.212 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -14.319 10.852 3.135 1.00 1.30 H new ATOM 0 HH TYR A 59 -16.503 10.439 4.289 1.00 1.64 H new ATOM 138 N LYS A 60 -13.240 5.787 -2.598 1.00 0.42 N ATOM 139 CA LYS A 60 -12.390 5.312 -3.690 1.00 0.43 C ATOM 140 C LYS A 60 -11.491 6.429 -4.207 1.00 0.40 C ATOM 141 O LYS A 60 -10.275 6.304 -4.173 1.00 0.41 O ATOM 142 CB LYS A 60 -13.221 4.702 -4.833 1.00 0.52 C ATOM 143 CG LYS A 60 -14.205 5.654 -5.496 1.00 1.16 C ATOM 144 CD LYS A 60 -15.012 4.964 -6.590 1.00 1.35 C ATOM 145 CE LYS A 60 -14.141 4.527 -7.759 1.00 1.75 C ATOM 146 NZ LYS A 60 -13.494 5.680 -8.437 1.00 2.29 N ATOM 0 H LYS A 60 -14.237 5.623 -2.735 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.755 4.522 -3.289 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -12.539 4.321 -5.594 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.773 3.847 -4.443 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -14.883 6.057 -4.744 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -13.663 6.498 -5.922 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -15.518 4.094 -6.172 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -15.787 5.641 -6.950 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -13.374 3.840 -7.402 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -14.749 3.979 -8.478 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -13.261 5.421 -9.417 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -14.145 6.491 -8.439 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -12.623 5.936 -7.930 1.00 2.29 H new ATOM 160 N LEU A 61 -12.096 7.534 -4.623 1.00 0.45 N ATOM 161 CA LEU A 61 -11.359 8.672 -5.169 1.00 0.49 C ATOM 162 C LEU A 61 -10.252 9.119 -4.221 1.00 0.38 C ATOM 163 O LEU A 61 -9.137 9.399 -4.653 1.00 0.41 O ATOM 164 CB LEU A 61 -12.304 9.850 -5.442 1.00 0.62 C ATOM 165 CG LEU A 61 -13.079 10.378 -4.225 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.468 11.830 -4.434 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.325 9.544 -3.960 1.00 0.81 C ATOM 0 H LEU A 61 -13.107 7.669 -4.593 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.907 8.348 -6.107 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.721 10.670 -5.862 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.022 9.547 -6.204 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.424 10.303 -3.357 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.016 12.189 -3.563 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.569 12.431 -4.570 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.098 11.914 -5.319 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.852 9.942 -3.093 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.980 9.581 -4.831 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.037 8.511 -3.766 1.00 0.81 H new ATOM 179 N GLU A 62 -10.571 9.189 -2.933 1.00 0.33 N ATOM 180 CA GLU A 62 -9.605 9.562 -1.925 1.00 0.30 C ATOM 181 C GLU A 62 -8.376 8.674 -1.958 1.00 0.26 C ATOM 182 O GLU A 62 -7.267 9.171 -2.091 1.00 0.32 O ATOM 183 CB GLU A 62 -10.247 9.538 -0.543 1.00 0.41 C ATOM 184 CG GLU A 62 -10.693 10.909 -0.120 1.00 0.50 C ATOM 185 CD GLU A 62 -11.015 11.010 1.356 1.00 1.29 C ATOM 186 OE1 GLU A 62 -10.324 10.354 2.167 1.00 1.51 O ATOM 187 OE2 GLU A 62 -11.972 11.724 1.714 1.00 2.00 O ATOM 0 H GLU A 62 -11.502 8.989 -2.568 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.275 10.577 -2.146 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -11.102 8.862 -0.549 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.535 9.145 0.183 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -9.911 11.628 -0.363 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.575 11.190 -0.696 1.00 0.50 H new ATOM 194 N ASN A 63 -8.571 7.367 -1.884 1.00 0.24 N ATOM 195 CA ASN A 63 -7.433 6.448 -1.868 1.00 0.23 C ATOM 196 C ASN A 63 -6.787 6.343 -3.246 1.00 0.21 C ATOM 197 O ASN A 63 -5.625 5.956 -3.362 1.00 0.22 O ATOM 198 CB ASN A 63 -7.805 5.059 -1.338 1.00 0.33 C ATOM 199 CG ASN A 63 -8.924 4.382 -2.087 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.713 3.745 -3.119 1.00 2.24 O ATOM 201 ND2 ASN A 63 -10.118 4.486 -1.544 1.00 0.90 N ATOM 0 H ASN A 63 -9.487 6.920 -1.835 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.705 6.871 -1.175 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.922 4.421 -1.376 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -8.089 5.148 -0.289 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.918 4.027 -1.980 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.243 5.025 -0.687 1.00 0.90 H new ATOM 208 N GLU A 64 -7.533 6.697 -4.283 1.00 0.23 N ATOM 209 CA GLU A 64 -6.985 6.789 -5.622 1.00 0.29 C ATOM 210 C GLU A 64 -5.929 7.889 -5.691 1.00 0.29 C ATOM 211 O GLU A 64 -4.804 7.656 -6.136 1.00 0.35 O ATOM 212 CB GLU A 64 -8.112 7.049 -6.622 1.00 0.38 C ATOM 213 CG GLU A 64 -9.076 5.886 -6.743 1.00 0.41 C ATOM 214 CD GLU A 64 -10.033 6.029 -7.909 1.00 0.56 C ATOM 215 OE1 GLU A 64 -9.682 5.603 -9.027 1.00 0.88 O ATOM 216 OE2 GLU A 64 -11.141 6.577 -7.717 1.00 0.69 O ATOM 0 H GLU A 64 -8.525 6.926 -4.218 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.502 5.846 -5.878 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.662 7.940 -6.318 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.681 7.260 -7.601 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.509 4.962 -6.857 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.648 5.798 -5.819 1.00 0.41 H new ATOM 223 N LYS A 65 -6.289 9.077 -5.224 1.00 0.27 N ATOM 224 CA LYS A 65 -5.352 10.196 -5.174 1.00 0.30 C ATOM 225 C LYS A 65 -4.297 9.941 -4.110 1.00 0.23 C ATOM 226 O LYS A 65 -3.154 10.370 -4.223 1.00 0.30 O ATOM 227 CB LYS A 65 -6.081 11.487 -4.840 1.00 0.39 C ATOM 228 CG LYS A 65 -7.347 11.698 -5.629 1.00 0.65 C ATOM 229 CD LYS A 65 -8.102 12.922 -5.142 1.00 1.23 C ATOM 230 CE LYS A 65 -9.367 13.169 -5.947 1.00 2.14 C ATOM 231 NZ LYS A 65 -9.071 13.493 -7.365 1.00 2.98 N ATOM 0 H LYS A 65 -7.222 9.293 -4.874 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.880 10.289 -6.152 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.323 11.491 -3.777 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.410 12.327 -5.018 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -7.105 11.814 -6.685 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.983 10.817 -5.543 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.361 12.794 -4.091 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -7.455 13.797 -5.207 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -10.003 12.285 -5.903 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -9.928 13.988 -5.498 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -9.936 13.834 -7.831 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -8.340 14.232 -7.407 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -8.729 12.640 -7.852 1.00 2.98 H new ATOM 245 N LEU A 66 -4.719 9.246 -3.073 1.00 0.16 N ATOM 246 CA LEU A 66 -3.878 8.958 -1.925 1.00 0.15 C ATOM 247 C LEU A 66 -2.741 7.995 -2.241 1.00 0.15 C ATOM 248 O LEU A 66 -1.575 8.312 -2.014 1.00 0.18 O ATOM 249 CB LEU A 66 -4.748 8.368 -0.833 1.00 0.15 C ATOM 250 CG LEU A 66 -4.838 9.208 0.415 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.048 8.809 1.244 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.553 9.052 1.191 1.00 0.22 C ATOM 0 H LEU A 66 -5.661 8.862 -3.001 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.416 9.893 -1.609 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.753 8.217 -1.228 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.359 7.385 -0.567 1.00 0.15 H new ATOM 0 HG LEU A 66 -4.969 10.258 0.152 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.095 9.427 2.140 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -6.955 8.952 0.657 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -5.963 7.761 1.530 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.601 9.654 2.099 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.414 8.004 1.457 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.715 9.385 0.578 1.00 0.22 H new ATOM 264 N PHE A 67 -3.087 6.813 -2.735 1.00 0.14 N ATOM 265 CA PHE A 67 -2.103 5.784 -3.040 1.00 0.15 C ATOM 266 C PHE A 67 -0.984 6.326 -3.919 1.00 0.17 C ATOM 267 O PHE A 67 0.190 6.023 -3.705 1.00 0.20 O ATOM 268 CB PHE A 67 -2.763 4.597 -3.736 1.00 0.15 C ATOM 269 CG PHE A 67 -2.047 3.312 -3.479 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.934 2.945 -4.218 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.484 2.481 -2.474 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.274 1.760 -3.953 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.834 1.300 -2.201 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.726 0.935 -2.941 1.00 0.19 C ATOM 0 H PHE A 67 -4.050 6.543 -2.934 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.674 5.457 -2.093 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.795 4.508 -3.396 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.796 4.782 -4.810 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.579 3.590 -5.008 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.349 2.760 -1.891 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.592 1.480 -4.535 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.190 0.658 -1.408 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.215 0.008 -2.729 1.00 0.19 H new ATOM 284 N GLU A 68 -1.347 7.139 -4.899 1.00 0.18 N ATOM 285 CA GLU A 68 -0.361 7.686 -5.809 1.00 0.23 C ATOM 286 C GLU A 68 0.549 8.689 -5.105 1.00 0.19 C ATOM 287 O GLU A 68 1.699 8.833 -5.495 1.00 0.24 O ATOM 288 CB GLU A 68 -1.012 8.305 -7.047 1.00 0.40 C ATOM 289 CG GLU A 68 -2.034 9.371 -6.739 1.00 0.54 C ATOM 290 CD GLU A 68 -2.619 9.995 -7.986 1.00 1.13 C ATOM 291 OE1 GLU A 68 -3.420 9.328 -8.671 1.00 1.39 O ATOM 292 OE2 GLU A 68 -2.297 11.163 -8.282 1.00 1.81 O ATOM 0 H GLU A 68 -2.307 7.430 -5.081 1.00 0.18 H new ATOM 0 HA GLU A 68 0.258 6.855 -6.149 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -0.233 8.735 -7.677 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.490 7.515 -7.626 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.837 8.937 -6.143 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.571 10.148 -6.132 1.00 0.54 H new ATOM 299 N GLU A 69 0.064 9.354 -4.047 1.00 0.19 N ATOM 300 CA GLU A 69 0.907 10.298 -3.314 1.00 0.22 C ATOM 301 C GLU A 69 2.105 9.570 -2.732 1.00 0.20 C ATOM 302 O GLU A 69 3.235 10.055 -2.780 1.00 0.28 O ATOM 303 CB GLU A 69 0.147 10.989 -2.188 1.00 0.26 C ATOM 304 CG GLU A 69 -1.006 11.835 -2.671 1.00 0.34 C ATOM 305 CD GLU A 69 -1.443 12.863 -1.648 1.00 1.02 C ATOM 306 OE1 GLU A 69 -0.716 13.867 -1.471 1.00 1.31 O ATOM 307 OE2 GLU A 69 -2.508 12.684 -1.027 1.00 1.78 O ATOM 0 H GLU A 69 -0.886 9.257 -3.689 1.00 0.19 H new ATOM 0 HA GLU A 69 1.232 11.062 -4.020 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.230 10.234 -1.498 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.838 11.617 -1.626 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -0.718 12.343 -3.591 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.849 11.189 -2.914 1.00 0.34 H new ATOM 314 N PHE A 70 1.834 8.390 -2.195 1.00 0.15 N ATOM 315 CA PHE A 70 2.864 7.535 -1.630 1.00 0.13 C ATOM 316 C PHE A 70 3.860 7.126 -2.711 1.00 0.13 C ATOM 317 O PHE A 70 5.063 7.134 -2.487 1.00 0.14 O ATOM 318 CB PHE A 70 2.210 6.303 -1.002 1.00 0.12 C ATOM 319 CG PHE A 70 3.115 5.510 -0.102 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.279 4.957 -0.591 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.781 5.294 1.222 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.100 4.203 0.217 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.600 4.544 2.042 1.00 0.11 C ATOM 324 CZ PHE A 70 4.761 3.995 1.539 1.00 0.11 C ATOM 0 H PHE A 70 0.893 7.999 -2.139 1.00 0.15 H new ATOM 0 HA PHE A 70 3.407 8.080 -0.858 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.338 6.621 -0.431 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.849 5.652 -1.799 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.551 5.118 -1.624 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.870 5.716 1.619 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.008 3.775 -0.183 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.332 4.387 3.076 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.402 3.405 2.177 1.00 0.11 H new ATOM 334 N LEU A 71 3.354 6.796 -3.886 1.00 0.14 N ATOM 335 CA LEU A 71 4.187 6.329 -4.976 1.00 0.15 C ATOM 336 C LEU A 71 5.020 7.438 -5.567 1.00 0.16 C ATOM 337 O LEU A 71 6.196 7.255 -5.865 1.00 0.18 O ATOM 338 CB LEU A 71 3.305 5.739 -6.042 1.00 0.17 C ATOM 339 CG LEU A 71 2.618 4.467 -5.615 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.755 3.959 -6.734 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.666 3.451 -5.219 1.00 0.16 C ATOM 0 H LEU A 71 2.360 6.844 -4.109 1.00 0.14 H new ATOM 0 HA LEU A 71 4.873 5.579 -4.583 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.551 6.473 -6.326 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.905 5.539 -6.930 1.00 0.17 H new ATOM 0 HG LEU A 71 1.974 4.653 -4.755 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.260 3.039 -6.423 1.00 0.22 H new ATOM 0 HD12 LEU A 71 1.004 4.709 -6.984 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.374 3.759 -7.609 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.178 2.527 -4.908 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.317 3.249 -6.070 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.259 3.843 -4.393 1.00 0.16 H new ATOM 353 N GLU A 72 4.400 8.579 -5.753 1.00 0.16 N ATOM 354 CA GLU A 72 5.087 9.745 -6.266 1.00 0.19 C ATOM 355 C GLU A 72 6.193 10.157 -5.307 1.00 0.18 C ATOM 356 O GLU A 72 7.237 10.660 -5.717 1.00 0.21 O ATOM 357 CB GLU A 72 4.080 10.858 -6.507 1.00 0.24 C ATOM 358 CG GLU A 72 3.021 10.453 -7.522 1.00 0.29 C ATOM 359 CD GLU A 72 3.546 10.480 -8.944 1.00 0.73 C ATOM 360 OE1 GLU A 72 3.625 11.572 -9.535 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.878 9.401 -9.481 1.00 1.17 O ATOM 0 H GLU A 72 3.410 8.727 -5.555 1.00 0.16 H new ATOM 0 HA GLU A 72 5.560 9.517 -7.221 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.599 11.123 -5.566 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.600 11.748 -6.860 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.662 9.451 -7.289 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.167 11.125 -7.440 1.00 0.29 H new ATOM 368 N LEU A 73 5.951 9.913 -4.027 1.00 0.16 N ATOM 369 CA LEU A 73 6.968 10.045 -3.008 1.00 0.16 C ATOM 370 C LEU A 73 7.989 8.917 -3.147 1.00 0.15 C ATOM 371 O LEU A 73 9.194 9.157 -3.140 1.00 0.18 O ATOM 372 CB LEU A 73 6.298 9.990 -1.637 1.00 0.16 C ATOM 373 CG LEU A 73 7.222 9.735 -0.449 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.422 11.002 0.361 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.644 8.630 0.408 1.00 0.16 C ATOM 0 H LEU A 73 5.042 9.618 -3.671 1.00 0.16 H new ATOM 0 HA LEU A 73 7.489 10.996 -3.120 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.778 10.933 -1.471 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.540 9.207 -1.657 1.00 0.16 H new ATOM 0 HG LEU A 73 8.200 9.424 -0.817 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.084 10.795 1.202 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.867 11.771 -0.270 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.459 11.351 0.734 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.302 8.446 1.257 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.660 8.927 0.770 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.553 7.720 -0.185 1.00 0.16 H new ATOM 387 N CYS A 74 7.493 7.689 -3.298 1.00 0.13 N ATOM 388 CA CYS A 74 8.338 6.512 -3.400 1.00 0.13 C ATOM 389 C CYS A 74 9.296 6.621 -4.590 1.00 0.15 C ATOM 390 O CYS A 74 10.431 6.170 -4.511 1.00 0.18 O ATOM 391 CB CYS A 74 7.457 5.264 -3.509 1.00 0.16 C ATOM 392 SG CYS A 74 8.342 3.703 -3.334 1.00 0.50 S ATOM 0 H CYS A 74 6.494 7.488 -3.352 1.00 0.13 H new ATOM 0 HA CYS A 74 8.951 6.435 -2.502 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.682 5.315 -2.744 1.00 0.16 H new ATOM 0 HB3 CYS A 74 6.953 5.274 -4.475 1.00 0.16 H new ATOM 0 HG CYS A 74 9.341 3.675 -4.166 1.00 0.50 H new ATOM 398 N LYS A 75 8.845 7.239 -5.682 1.00 0.18 N ATOM 399 CA LYS A 75 9.702 7.507 -6.825 1.00 0.22 C ATOM 400 C LYS A 75 10.946 8.294 -6.426 1.00 0.22 C ATOM 401 O LYS A 75 12.017 8.118 -7.000 1.00 0.26 O ATOM 402 CB LYS A 75 8.946 8.285 -7.883 1.00 0.28 C ATOM 403 CG LYS A 75 8.619 7.421 -9.069 1.00 0.57 C ATOM 404 CD LYS A 75 7.375 6.598 -8.841 1.00 0.61 C ATOM 405 CE LYS A 75 6.105 7.414 -9.037 1.00 0.38 C ATOM 406 NZ LYS A 75 5.934 7.888 -10.436 1.00 0.96 N ATOM 0 H LYS A 75 7.884 7.563 -5.794 1.00 0.18 H new ATOM 0 HA LYS A 75 10.014 6.542 -7.224 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.026 8.683 -7.456 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.543 9.138 -8.206 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.482 8.049 -9.949 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.459 6.759 -9.278 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.371 5.751 -9.527 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.391 6.190 -7.830 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.243 6.809 -8.755 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.124 8.273 -8.367 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 5.029 8.394 -10.523 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.715 8.529 -10.683 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 5.938 7.073 -11.082 1.00 0.96 H new ATOM 420 N MET A 76 10.797 9.153 -5.426 1.00 0.22 N ATOM 421 CA MET A 76 11.878 10.030 -5.003 1.00 0.26 C ATOM 422 C MET A 76 12.719 9.327 -3.959 1.00 0.25 C ATOM 423 O MET A 76 13.929 9.531 -3.863 1.00 0.32 O ATOM 424 CB MET A 76 11.324 11.323 -4.394 1.00 0.29 C ATOM 425 CG MET A 76 10.079 11.851 -5.075 1.00 0.27 C ATOM 426 SD MET A 76 9.554 13.450 -4.428 1.00 0.32 S ATOM 427 CE MET A 76 9.261 13.049 -2.704 1.00 0.35 C ATOM 0 H MET A 76 9.935 9.260 -4.892 1.00 0.22 H new ATOM 0 HA MET A 76 12.481 10.276 -5.877 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.101 11.148 -3.341 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.098 12.090 -4.433 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.266 11.941 -6.145 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.270 11.131 -4.952 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.286 13.432 -2.402 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.282 11.967 -2.573 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.036 13.504 -2.088 1.00 0.35 H new ATOM 437 N GLN A 77 12.055 8.495 -3.182 1.00 0.21 N ATOM 438 CA GLN A 77 12.673 7.823 -2.056 1.00 0.22 C ATOM 439 C GLN A 77 13.389 6.561 -2.506 1.00 0.21 C ATOM 440 O GLN A 77 14.599 6.419 -2.335 1.00 0.24 O ATOM 441 CB GLN A 77 11.596 7.450 -1.044 1.00 0.23 C ATOM 442 CG GLN A 77 10.734 8.608 -0.573 1.00 0.30 C ATOM 443 CD GLN A 77 11.428 9.522 0.410 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.644 9.701 0.374 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.647 10.094 1.307 1.00 0.48 N ATOM 0 H GLN A 77 11.070 8.265 -3.314 1.00 0.21 H new ATOM 0 HA GLN A 77 13.402 8.497 -1.606 1.00 0.22 H new ATOM 0 HB2 GLN A 77 10.950 6.691 -1.486 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.075 6.996 -0.176 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.420 9.191 -1.439 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.830 8.212 -0.111 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.643 9.915 1.297 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.048 10.715 2.010 1.00 0.48 H new ATOM 454 N THR A 78 12.636 5.649 -3.100 1.00 0.18 N ATOM 455 CA THR A 78 13.186 4.401 -3.573 1.00 0.20 C ATOM 456 C THR A 78 13.702 4.576 -4.990 1.00 0.22 C ATOM 457 O THR A 78 13.430 3.772 -5.876 1.00 0.24 O ATOM 458 CB THR A 78 12.138 3.272 -3.524 1.00 0.20 C ATOM 459 OG1 THR A 78 11.078 3.533 -4.450 1.00 0.56 O ATOM 460 CG2 THR A 78 11.565 3.143 -2.122 1.00 0.42 C ATOM 0 H THR A 78 11.635 5.757 -3.264 1.00 0.18 H new ATOM 0 HA THR A 78 14.010 4.119 -2.917 1.00 0.20 H new ATOM 0 HB THR A 78 12.630 2.339 -3.798 1.00 0.20 H new ATOM 0 HG1 THR A 78 10.955 4.501 -4.542 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.826 2.342 -2.103 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.367 2.914 -1.421 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.090 4.081 -1.835 1.00 0.42 H new ATOM 468 N ALA A 79 14.441 5.649 -5.194 1.00 0.25 N ATOM 469 CA ALA A 79 15.006 5.951 -6.490 1.00 0.30 C ATOM 470 C ALA A 79 16.132 4.974 -6.810 1.00 0.34 C ATOM 471 O ALA A 79 16.370 4.635 -7.970 1.00 0.42 O ATOM 472 CB ALA A 79 15.489 7.389 -6.501 1.00 0.32 C ATOM 0 H ALA A 79 14.664 6.331 -4.469 1.00 0.25 H new ATOM 0 HA ALA A 79 14.247 5.839 -7.264 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.916 7.622 -7.476 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.650 8.056 -6.304 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.249 7.524 -5.731 1.00 0.32 H new ATOM 478 N ASP A 80 16.801 4.508 -5.759 1.00 0.35 N ATOM 479 CA ASP A 80 17.852 3.502 -5.888 1.00 0.44 C ATOM 480 C ASP A 80 17.237 2.111 -6.019 1.00 0.38 C ATOM 481 O ASP A 80 17.877 1.171 -6.488 1.00 0.44 O ATOM 482 CB ASP A 80 18.761 3.521 -4.659 1.00 0.59 C ATOM 483 CG ASP A 80 19.290 4.900 -4.319 1.00 1.31 C ATOM 484 OD1 ASP A 80 18.549 5.688 -3.703 1.00 2.29 O ATOM 485 OD2 ASP A 80 20.442 5.210 -4.692 1.00 1.68 O ATOM 0 H ASP A 80 16.632 4.814 -4.801 1.00 0.35 H new ATOM 0 HA ASP A 80 18.435 3.734 -6.779 1.00 0.44 H new ATOM 0 HB2 ASP A 80 18.210 3.131 -3.803 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.603 2.850 -4.829 1.00 0.59 H new ATOM 490 N HIS A 81 15.991 1.993 -5.575 1.00 0.35 N ATOM 491 CA HIS A 81 15.266 0.727 -5.570 1.00 0.39 C ATOM 492 C HIS A 81 13.897 0.908 -6.226 1.00 0.34 C ATOM 493 O HIS A 81 12.867 0.783 -5.565 1.00 0.30 O ATOM 494 CB HIS A 81 15.078 0.249 -4.125 1.00 0.49 C ATOM 495 CG HIS A 81 16.351 0.167 -3.335 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.682 1.057 -2.334 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.368 -0.714 -3.396 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.850 0.723 -1.817 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.286 -0.351 -2.444 1.00 1.12 N ATOM 0 H HIS A 81 15.452 2.777 -5.206 1.00 0.35 H new ATOM 0 HA HIS A 81 15.838 -0.013 -6.129 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.391 0.925 -3.617 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.607 -0.734 -4.137 1.00 0.49 H new ATOM 0 HD2 HIS A 81 17.446 -1.553 -4.071 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.360 1.241 -1.018 1.00 2.11 H new ATOM 0 HE2 HIS A 81 19.164 -0.834 -2.252 1.00 1.12 H new ATOM 508 N PRO A 82 13.866 1.194 -7.539 1.00 0.39 N ATOM 509 CA PRO A 82 12.637 1.594 -8.249 1.00 0.39 C ATOM 510 C PRO A 82 11.629 0.462 -8.468 1.00 0.35 C ATOM 511 O PRO A 82 10.708 0.600 -9.265 1.00 0.39 O ATOM 512 CB PRO A 82 13.171 2.081 -9.592 1.00 0.50 C ATOM 513 CG PRO A 82 14.416 1.305 -9.803 1.00 0.53 C ATOM 514 CD PRO A 82 15.030 1.165 -8.446 1.00 0.48 C ATOM 0 HA PRO A 82 12.077 2.330 -7.672 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.453 1.903 -10.392 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.370 3.153 -9.575 1.00 0.50 H new ATOM 0 HG2 PRO A 82 14.202 0.330 -10.240 1.00 0.53 H new ATOM 0 HG3 PRO A 82 15.089 1.821 -10.488 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.589 0.234 -8.352 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.725 1.977 -8.234 1.00 0.48 H new ATOM 522 N GLU A 83 11.791 -0.641 -7.758 1.00 0.29 N ATOM 523 CA GLU A 83 10.898 -1.785 -7.917 1.00 0.26 C ATOM 524 C GLU A 83 9.705 -1.687 -6.973 1.00 0.19 C ATOM 525 O GLU A 83 8.711 -2.399 -7.125 1.00 0.22 O ATOM 526 CB GLU A 83 11.650 -3.085 -7.676 1.00 0.33 C ATOM 527 CG GLU A 83 12.638 -3.412 -8.775 1.00 0.49 C ATOM 528 CD GLU A 83 11.975 -3.528 -10.131 1.00 1.32 C ATOM 529 OE1 GLU A 83 11.295 -4.544 -10.382 1.00 1.72 O ATOM 530 OE2 GLU A 83 12.117 -2.595 -10.949 1.00 2.05 O ATOM 0 H GLU A 83 12.529 -0.773 -7.067 1.00 0.29 H new ATOM 0 HA GLU A 83 10.524 -1.777 -8.941 1.00 0.26 H new ATOM 0 HB2 GLU A 83 12.181 -3.020 -6.726 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.933 -3.901 -7.585 1.00 0.33 H new ATOM 0 HG2 GLU A 83 13.404 -2.638 -8.813 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.143 -4.349 -8.539 1.00 0.49 H new ATOM 537 N VAL A 84 9.824 -0.802 -5.995 1.00 0.15 N ATOM 538 CA VAL A 84 8.799 -0.622 -4.975 1.00 0.11 C ATOM 539 C VAL A 84 7.491 -0.105 -5.563 1.00 0.11 C ATOM 540 O VAL A 84 6.430 -0.701 -5.384 1.00 0.13 O ATOM 541 CB VAL A 84 9.255 0.396 -3.927 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.270 0.422 -2.789 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.660 0.101 -3.436 1.00 0.14 C ATOM 0 H VAL A 84 10.632 -0.189 -5.885 1.00 0.15 H new ATOM 0 HA VAL A 84 8.639 -1.603 -4.528 1.00 0.11 H new ATOM 0 HB VAL A 84 9.286 1.383 -4.390 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.595 1.147 -2.043 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.287 0.704 -3.165 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.214 -0.567 -2.334 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.949 0.844 -2.693 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.687 -0.891 -2.986 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.354 0.138 -4.276 1.00 0.14 H new ATOM 553 N VAL A 85 7.594 1.024 -6.243 1.00 0.11 N ATOM 554 CA VAL A 85 6.445 1.697 -6.846 1.00 0.13 C ATOM 555 C VAL A 85 5.622 0.744 -7.726 1.00 0.15 C ATOM 556 O VAL A 85 4.418 0.603 -7.512 1.00 0.16 O ATOM 557 CB VAL A 85 6.905 2.927 -7.658 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.727 3.782 -8.075 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.895 3.747 -6.849 1.00 0.15 C ATOM 0 H VAL A 85 8.480 1.506 -6.396 1.00 0.11 H new ATOM 0 HA VAL A 85 5.798 2.032 -6.036 1.00 0.13 H new ATOM 0 HB VAL A 85 7.396 2.571 -8.564 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.084 4.640 -8.645 1.00 0.18 H new ATOM 0 HG12 VAL A 85 5.050 3.192 -8.693 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.198 4.130 -7.188 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.213 4.612 -7.431 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.421 4.084 -5.927 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.763 3.134 -6.607 1.00 0.15 H new ATOM 569 N PRO A 86 6.244 0.067 -8.718 1.00 0.17 N ATOM 570 CA PRO A 86 5.547 -0.932 -9.541 1.00 0.20 C ATOM 571 C PRO A 86 4.895 -2.032 -8.703 1.00 0.18 C ATOM 572 O PRO A 86 3.797 -2.487 -9.017 1.00 0.20 O ATOM 573 CB PRO A 86 6.656 -1.521 -10.414 1.00 0.23 C ATOM 574 CG PRO A 86 7.689 -0.454 -10.480 1.00 0.22 C ATOM 575 CD PRO A 86 7.646 0.239 -9.149 1.00 0.17 C ATOM 0 HA PRO A 86 4.731 -0.483 -10.108 1.00 0.20 H new ATOM 0 HB2 PRO A 86 7.059 -2.436 -9.979 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.286 -1.776 -11.407 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.676 -0.876 -10.669 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.480 0.243 -11.291 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.342 -0.209 -8.440 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.913 1.292 -9.236 1.00 0.17 H new ATOM 583 N PHE A 87 5.575 -2.449 -7.636 1.00 0.16 N ATOM 584 CA PHE A 87 5.046 -3.471 -6.735 1.00 0.15 C ATOM 585 C PHE A 87 3.751 -2.973 -6.090 1.00 0.14 C ATOM 586 O PHE A 87 2.729 -3.659 -6.124 1.00 0.16 O ATOM 587 CB PHE A 87 6.089 -3.817 -5.659 1.00 0.17 C ATOM 588 CG PHE A 87 5.789 -5.040 -4.822 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.562 -5.688 -4.878 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.755 -5.537 -3.966 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.311 -6.803 -4.093 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.510 -6.648 -3.183 1.00 0.25 C ATOM 593 CZ PHE A 87 5.288 -7.283 -3.242 1.00 0.38 C ATOM 0 H PHE A 87 6.495 -2.094 -7.374 1.00 0.16 H new ATOM 0 HA PHE A 87 4.827 -4.374 -7.305 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.053 -3.961 -6.147 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.194 -2.961 -4.993 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.794 -5.319 -5.541 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.716 -5.048 -3.909 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.352 -7.296 -4.147 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.279 -7.021 -2.522 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.096 -8.150 -2.627 1.00 0.38 H new ATOM 603 N LEU A 88 3.794 -1.769 -5.524 1.00 0.12 N ATOM 604 CA LEU A 88 2.618 -1.182 -4.896 1.00 0.13 C ATOM 605 C LEU A 88 1.505 -0.976 -5.911 1.00 0.14 C ATOM 606 O LEU A 88 0.330 -1.200 -5.612 1.00 0.16 O ATOM 607 CB LEU A 88 2.967 0.145 -4.229 1.00 0.13 C ATOM 608 CG LEU A 88 3.928 0.045 -3.051 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.938 1.354 -2.279 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.541 -1.119 -2.151 1.00 0.20 C ATOM 0 H LEU A 88 4.629 -1.184 -5.488 1.00 0.12 H new ATOM 0 HA LEU A 88 2.267 -1.877 -4.133 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.403 0.806 -4.978 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.045 0.615 -3.887 1.00 0.13 H new ATOM 0 HG LEU A 88 4.935 -0.141 -3.425 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.627 1.275 -1.438 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.259 2.162 -2.937 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.935 1.565 -1.908 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.236 -1.178 -1.314 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.530 -0.966 -1.773 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.579 -2.048 -2.721 1.00 0.20 H new ATOM 622 N TYR A 89 1.882 -0.561 -7.115 1.00 0.16 N ATOM 623 CA TYR A 89 0.914 -0.403 -8.195 1.00 0.20 C ATOM 624 C TYR A 89 0.233 -1.733 -8.462 1.00 0.21 C ATOM 625 O TYR A 89 -0.994 -1.837 -8.481 1.00 0.25 O ATOM 626 CB TYR A 89 1.586 0.046 -9.498 1.00 0.22 C ATOM 627 CG TYR A 89 1.654 1.538 -9.714 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.503 2.277 -9.952 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.870 2.200 -9.704 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.566 3.638 -10.172 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.943 3.559 -9.926 1.00 0.37 C ATOM 632 CZ TYR A 89 1.789 4.275 -10.158 1.00 0.43 C ATOM 633 OH TYR A 89 1.857 5.631 -10.380 1.00 0.54 O ATOM 0 H TYR A 89 2.843 -0.329 -7.367 1.00 0.16 H new ATOM 0 HA TYR A 89 0.197 0.356 -7.882 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.600 -0.353 -9.519 1.00 0.22 H new ATOM 0 HB3 TYR A 89 1.050 -0.401 -10.335 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.456 1.780 -9.965 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.776 1.643 -9.519 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.337 4.201 -10.354 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.900 4.060 -9.918 1.00 0.37 H new ATOM 0 HH TYR A 89 2.791 5.923 -10.335 1.00 0.54 H new ATOM 643 N ASN A 90 1.069 -2.746 -8.632 1.00 0.19 N ATOM 644 CA ASN A 90 0.630 -4.086 -8.973 1.00 0.23 C ATOM 645 C ASN A 90 -0.301 -4.642 -7.913 1.00 0.22 C ATOM 646 O ASN A 90 -1.414 -5.068 -8.212 1.00 0.27 O ATOM 647 CB ASN A 90 1.841 -4.997 -9.118 1.00 0.27 C ATOM 648 CG ASN A 90 1.492 -6.338 -9.705 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.203 -7.294 -8.982 1.00 1.33 O ATOM 650 ND2 ASN A 90 1.516 -6.421 -11.011 1.00 0.67 N ATOM 0 H ASN A 90 2.081 -2.658 -8.536 1.00 0.19 H new ATOM 0 HA ASN A 90 0.086 -4.039 -9.916 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.583 -4.510 -9.751 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.301 -5.141 -8.140 1.00 0.27 H new ATOM 0 HD21 ASN A 90 1.290 -7.303 -11.470 1.00 0.67 H new ATOM 0 HD22 ASN A 90 1.761 -5.603 -11.570 1.00 0.67 H new ATOM 657 N ARG A 91 0.157 -4.613 -6.674 1.00 0.19 N ATOM 658 CA ARG A 91 -0.601 -5.168 -5.567 1.00 0.20 C ATOM 659 C ARG A 91 -1.959 -4.487 -5.431 1.00 0.20 C ATOM 660 O ARG A 91 -2.936 -5.131 -5.065 1.00 0.22 O ATOM 661 CB ARG A 91 0.201 -5.055 -4.269 1.00 0.22 C ATOM 662 CG ARG A 91 -0.522 -5.590 -3.042 1.00 0.26 C ATOM 663 CD ARG A 91 -0.955 -7.034 -3.209 1.00 0.36 C ATOM 664 NE ARG A 91 0.174 -7.908 -3.524 1.00 0.80 N ATOM 665 CZ ARG A 91 0.924 -8.512 -2.606 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.717 -8.282 -1.314 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.902 -9.324 -2.979 1.00 1.25 N ATOM 0 H ARG A 91 1.055 -4.209 -6.409 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.783 -6.223 -5.772 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.141 -5.594 -4.387 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.453 -4.008 -4.101 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.132 -5.508 -2.174 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.397 -4.972 -2.841 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.435 -7.377 -2.293 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.699 -7.101 -4.003 1.00 0.36 H new ATOM 0 HE ARG A 91 0.400 -8.064 -4.506 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -0.020 -7.640 -1.022 1.00 1.38 H new ATOM 0 HH12 ARG A 91 1.295 -8.748 -0.614 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.080 -9.486 -3.970 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.477 -9.787 -2.275 1.00 1.25 H new ATOM 681 N GLN A 92 -2.027 -3.193 -5.739 1.00 0.19 N ATOM 682 CA GLN A 92 -3.293 -2.471 -5.667 1.00 0.21 C ATOM 683 C GLN A 92 -4.220 -2.918 -6.789 1.00 0.24 C ATOM 684 O GLN A 92 -5.431 -3.006 -6.610 1.00 0.26 O ATOM 685 CB GLN A 92 -3.089 -0.957 -5.741 1.00 0.23 C ATOM 686 CG GLN A 92 -4.357 -0.177 -5.418 1.00 0.34 C ATOM 687 CD GLN A 92 -4.245 1.305 -5.716 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.513 1.725 -6.614 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.981 2.109 -4.963 1.00 0.78 N ATOM 0 H GLN A 92 -1.230 -2.630 -6.037 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.746 -2.704 -4.703 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.301 -0.666 -5.046 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.747 -0.689 -6.741 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.186 -0.593 -5.990 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.598 -0.311 -4.363 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.574 1.720 -4.230 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.955 3.117 -5.116 1.00 0.78 H new ATOM 698 N GLN A 93 -3.641 -3.208 -7.946 1.00 0.26 N ATOM 699 CA GLN A 93 -4.421 -3.679 -9.084 1.00 0.32 C ATOM 700 C GLN A 93 -4.950 -5.079 -8.798 1.00 0.34 C ATOM 701 O GLN A 93 -6.012 -5.472 -9.279 1.00 0.40 O ATOM 702 CB GLN A 93 -3.585 -3.698 -10.370 1.00 0.36 C ATOM 703 CG GLN A 93 -2.925 -2.377 -10.723 1.00 0.38 C ATOM 704 CD GLN A 93 -3.876 -1.210 -10.674 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.539 -0.877 -11.657 1.00 0.71 O ATOM 706 NE2 GLN A 93 -3.933 -0.575 -9.525 1.00 0.57 N ATOM 0 H GLN A 93 -2.640 -3.126 -8.122 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.252 -2.989 -9.231 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.811 -4.459 -10.272 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.226 -4.000 -11.198 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.100 -2.195 -10.035 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.497 -2.447 -11.723 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.364 -0.890 -8.739 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.547 0.233 -9.419 1.00 0.57 H new ATOM 715 N ARG A 94 -4.186 -5.829 -8.013 1.00 0.33 N ATOM 716 CA ARG A 94 -4.584 -7.157 -7.590 1.00 0.38 C ATOM 717 C ARG A 94 -5.236 -7.116 -6.218 1.00 0.32 C ATOM 718 O ARG A 94 -5.346 -8.136 -5.538 1.00 0.46 O ATOM 719 CB ARG A 94 -3.385 -8.101 -7.583 1.00 0.47 C ATOM 720 CG ARG A 94 -2.973 -8.538 -8.972 1.00 0.70 C ATOM 721 CD ARG A 94 -2.025 -7.565 -9.643 1.00 0.95 C ATOM 722 NE ARG A 94 -1.530 -8.098 -10.907 1.00 1.67 N ATOM 723 CZ ARG A 94 -1.594 -7.457 -12.071 1.00 2.40 C ATOM 724 NH1 ARG A 94 -2.128 -6.244 -12.139 1.00 2.73 N ATOM 725 NH2 ARG A 94 -1.128 -8.037 -13.169 1.00 3.24 N ATOM 0 H ARG A 94 -3.278 -5.531 -7.656 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.316 -7.534 -8.304 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.543 -7.607 -7.098 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.625 -8.981 -6.987 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.498 -9.517 -8.913 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -3.864 -8.653 -9.590 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -2.536 -6.619 -9.820 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -1.186 -7.355 -8.980 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.106 -9.026 -10.898 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -2.492 -5.799 -11.296 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -2.175 -5.757 -13.034 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -0.722 -8.971 -13.119 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -1.175 -7.549 -14.063 1.00 3.24 H new ATOM 739 N ALA A 95 -5.630 -5.923 -5.809 1.00 0.28 N ATOM 740 CA ALA A 95 -6.425 -5.739 -4.625 1.00 0.25 C ATOM 741 C ALA A 95 -7.867 -5.490 -5.042 1.00 0.26 C ATOM 742 O ALA A 95 -8.124 -4.862 -6.072 1.00 0.36 O ATOM 743 CB ALA A 95 -5.872 -4.580 -3.814 1.00 0.25 C ATOM 0 H ALA A 95 -5.403 -5.056 -6.296 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.391 -6.629 -3.997 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.476 -4.442 -2.917 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.842 -4.794 -3.528 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.900 -3.670 -4.414 1.00 0.25 H new ATOM 749 N HIS A 96 -8.799 -6.012 -4.271 1.00 0.29 N ATOM 750 CA HIS A 96 -10.209 -5.911 -4.612 1.00 0.29 C ATOM 751 C HIS A 96 -10.728 -4.514 -4.293 1.00 0.27 C ATOM 752 O HIS A 96 -10.575 -4.024 -3.171 1.00 0.29 O ATOM 753 CB HIS A 96 -11.015 -6.963 -3.856 1.00 0.33 C ATOM 754 CG HIS A 96 -12.328 -7.281 -4.498 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.467 -6.582 -4.195 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.619 -8.226 -5.421 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.425 -7.113 -4.938 1.00 0.46 C ATOM 758 NE2 HIS A 96 -13.957 -8.113 -5.696 1.00 0.50 N ATOM 0 H HIS A 96 -8.608 -6.512 -3.402 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.324 -6.090 -5.681 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.425 -7.877 -3.781 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.192 -6.613 -2.839 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -11.930 -8.934 -5.857 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.453 -6.782 -4.934 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.493 -8.681 -6.352 1.00 0.50 H new ATOM 766 N SER A 97 -11.375 -3.897 -5.276 1.00 0.32 N ATOM 767 CA SER A 97 -11.738 -2.486 -5.209 1.00 0.37 C ATOM 768 C SER A 97 -12.745 -2.188 -4.097 1.00 0.33 C ATOM 769 O SER A 97 -12.914 -1.031 -3.719 1.00 0.39 O ATOM 770 CB SER A 97 -12.296 -2.024 -6.561 1.00 0.48 C ATOM 771 OG SER A 97 -12.603 -0.638 -6.551 1.00 1.46 O ATOM 0 H SER A 97 -11.662 -4.359 -6.139 1.00 0.32 H new ATOM 0 HA SER A 97 -10.829 -1.932 -4.974 1.00 0.37 H new ATOM 0 HB2 SER A 97 -11.569 -2.231 -7.346 1.00 0.48 H new ATOM 0 HB3 SER A 97 -13.193 -2.595 -6.800 1.00 0.48 H new ATOM 0 HG SER A 97 -12.639 -0.318 -5.626 1.00 1.46 H new ATOM 777 N LEU A 98 -13.404 -3.212 -3.570 1.00 0.29 N ATOM 778 CA LEU A 98 -14.412 -3.005 -2.546 1.00 0.32 C ATOM 779 C LEU A 98 -13.782 -2.589 -1.225 1.00 0.35 C ATOM 780 O LEU A 98 -14.219 -1.623 -0.598 1.00 0.43 O ATOM 781 CB LEU A 98 -15.251 -4.260 -2.376 1.00 0.35 C ATOM 782 CG LEU A 98 -16.214 -4.535 -3.528 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.136 -5.693 -3.190 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.017 -3.285 -3.855 1.00 0.67 C ATOM 0 H LEU A 98 -13.258 -4.186 -3.834 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.063 -2.192 -2.867 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.585 -5.115 -2.263 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.823 -4.178 -1.452 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.632 -4.811 -4.408 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.815 -5.873 -4.024 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.543 -6.588 -3.005 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.714 -5.450 -2.298 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.699 -3.496 -4.678 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.589 -2.980 -2.979 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.339 -2.482 -4.143 1.00 0.67 H new ATOM 796 N PHE A 99 -12.760 -3.320 -0.800 1.00 0.32 N ATOM 797 CA PHE A 99 -11.995 -2.928 0.379 1.00 0.34 C ATOM 798 C PHE A 99 -11.321 -1.585 0.146 1.00 0.34 C ATOM 799 O PHE A 99 -11.364 -0.705 1.001 1.00 0.39 O ATOM 800 CB PHE A 99 -10.938 -3.977 0.739 1.00 0.36 C ATOM 801 CG PHE A 99 -9.833 -3.432 1.605 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.083 -3.027 2.908 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.546 -3.304 1.104 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.069 -2.509 3.693 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.531 -2.785 1.883 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.792 -2.388 3.179 1.00 0.58 C ATOM 0 H PHE A 99 -12.443 -4.180 -1.248 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.693 -2.848 1.212 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.420 -4.807 1.256 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.507 -4.379 -0.178 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.080 -3.117 3.314 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.335 -3.614 0.091 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.275 -2.199 4.707 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.534 -2.690 1.479 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.999 -1.983 3.791 1.00 0.58 H new ATOM 816 N LEU A 100 -10.700 -1.443 -1.015 1.00 0.31 N ATOM 817 CA LEU A 100 -9.996 -0.218 -1.363 1.00 0.36 C ATOM 818 C LEU A 100 -10.928 0.989 -1.248 1.00 0.45 C ATOM 819 O LEU A 100 -10.569 2.009 -0.667 1.00 0.79 O ATOM 820 CB LEU A 100 -9.438 -0.342 -2.782 1.00 0.37 C ATOM 821 CG LEU A 100 -8.707 -1.659 -3.060 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.325 -1.775 -4.519 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.472 -1.797 -2.190 1.00 0.70 C ATOM 0 H LEU A 100 -10.669 -2.165 -1.735 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.170 -0.066 -0.668 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.258 -0.238 -3.492 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.752 0.486 -2.964 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.396 -2.468 -2.815 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.808 -2.720 -4.686 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.224 -1.740 -5.134 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.668 -0.949 -4.790 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.975 -2.742 -2.411 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.790 -0.972 -2.394 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.763 -1.777 -1.140 1.00 0.70 H new ATOM 835 N ALA A 101 -12.145 0.841 -1.752 1.00 0.28 N ATOM 836 CA ALA A 101 -13.126 1.915 -1.757 1.00 0.33 C ATOM 837 C ALA A 101 -13.844 2.005 -0.417 1.00 0.36 C ATOM 838 O ALA A 101 -15.045 1.758 -0.320 1.00 0.57 O ATOM 839 CB ALA A 101 -14.128 1.709 -2.885 1.00 0.36 C ATOM 0 H ALA A 101 -12.479 -0.028 -2.169 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.600 2.856 -1.922 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.856 2.520 -2.877 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.604 1.701 -3.841 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.642 0.758 -2.746 1.00 0.36 H new ATOM 845 N SER A 102 -13.101 2.358 0.614 1.00 0.34 N ATOM 846 CA SER A 102 -13.665 2.503 1.944 1.00 0.36 C ATOM 847 C SER A 102 -12.936 3.586 2.727 1.00 0.36 C ATOM 848 O SER A 102 -11.900 4.093 2.286 1.00 0.46 O ATOM 849 CB SER A 102 -13.564 1.183 2.699 1.00 0.40 C ATOM 850 OG SER A 102 -12.208 0.824 2.902 1.00 1.39 O ATOM 0 H SER A 102 -12.101 2.551 0.557 1.00 0.34 H new ATOM 0 HA SER A 102 -14.712 2.788 1.839 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.070 1.269 3.660 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.073 0.398 2.139 1.00 0.40 H new ATOM 0 HG SER A 102 -11.979 0.069 2.321 1.00 1.39 H new ATOM 856 N ALA A 103 -13.478 3.937 3.886 1.00 0.35 N ATOM 857 CA ALA A 103 -12.783 4.809 4.819 1.00 0.36 C ATOM 858 C ALA A 103 -11.649 4.042 5.464 1.00 0.29 C ATOM 859 O ALA A 103 -10.638 4.613 5.872 1.00 0.30 O ATOM 860 CB ALA A 103 -13.732 5.319 5.884 1.00 0.44 C ATOM 0 H ALA A 103 -14.398 3.630 4.201 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.387 5.667 4.276 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.192 5.970 6.572 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.540 5.880 5.413 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.149 4.475 6.434 1.00 0.44 H new ATOM 866 N GLU A 104 -11.843 2.736 5.541 1.00 0.29 N ATOM 867 CA GLU A 104 -10.856 1.831 6.096 1.00 0.30 C ATOM 868 C GLU A 104 -9.513 2.001 5.391 1.00 0.26 C ATOM 869 O GLU A 104 -8.511 2.354 6.016 1.00 0.30 O ATOM 870 CB GLU A 104 -11.356 0.392 5.940 1.00 0.39 C ATOM 871 CG GLU A 104 -10.359 -0.677 6.358 1.00 0.49 C ATOM 872 CD GLU A 104 -10.096 -0.686 7.846 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.021 -1.030 8.609 1.00 1.15 O ATOM 874 OE2 GLU A 104 -8.963 -0.364 8.259 1.00 1.81 O ATOM 0 H GLU A 104 -12.693 2.274 5.219 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.714 2.059 7.152 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.265 0.272 6.530 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.628 0.228 4.897 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -10.733 -1.655 6.054 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.419 -0.517 5.829 1.00 0.49 H new ATOM 881 N PHE A 105 -9.508 1.790 4.079 1.00 0.22 N ATOM 882 CA PHE A 105 -8.280 1.890 3.300 1.00 0.20 C ATOM 883 C PHE A 105 -7.809 3.340 3.236 1.00 0.19 C ATOM 884 O PHE A 105 -6.606 3.611 3.165 1.00 0.16 O ATOM 885 CB PHE A 105 -8.487 1.316 1.895 1.00 0.21 C ATOM 886 CG PHE A 105 -7.213 1.205 1.108 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.097 0.606 1.666 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.131 1.699 -0.183 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.919 0.505 0.957 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.955 1.599 -0.903 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.847 1.003 -0.330 1.00 0.16 C ATOM 0 H PHE A 105 -10.337 1.550 3.535 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.505 1.303 3.792 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.944 0.330 1.976 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.189 1.948 1.351 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.150 0.212 2.670 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.994 2.167 -0.632 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -4.055 0.038 1.406 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.902 1.985 -1.910 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.925 0.927 -0.888 1.00 0.16 H new ATOM 901 N CYS A 106 -8.761 4.272 3.268 1.00 0.27 N ATOM 902 CA CYS A 106 -8.444 5.691 3.397 1.00 0.27 C ATOM 903 C CYS A 106 -7.551 5.927 4.619 1.00 0.27 C ATOM 904 O CYS A 106 -6.522 6.599 4.524 1.00 0.28 O ATOM 905 CB CYS A 106 -9.730 6.517 3.508 1.00 0.29 C ATOM 906 SG CYS A 106 -9.470 8.254 3.938 1.00 0.59 S ATOM 0 H CYS A 106 -9.758 4.068 3.206 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.904 6.009 2.505 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.262 6.467 2.558 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.375 6.062 4.260 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.099 9.010 3.088 1.00 0.59 H new ATOM 912 N ASN A 107 -7.940 5.347 5.758 1.00 0.28 N ATOM 913 CA ASN A 107 -7.144 5.432 6.984 1.00 0.30 C ATOM 914 C ASN A 107 -5.760 4.872 6.762 1.00 0.24 C ATOM 915 O ASN A 107 -4.770 5.489 7.134 1.00 0.23 O ATOM 916 CB ASN A 107 -7.790 4.647 8.120 1.00 0.37 C ATOM 917 CG ASN A 107 -9.071 5.278 8.625 1.00 0.46 C ATOM 918 OD1 ASN A 107 -9.251 6.494 8.548 1.00 0.78 O ATOM 919 ND2 ASN A 107 -9.964 4.463 9.153 1.00 0.64 N ATOM 0 H ASN A 107 -8.803 4.813 5.856 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.088 6.487 7.251 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.001 3.633 7.779 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -7.083 4.565 8.945 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.842 4.835 9.516 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -9.777 3.461 9.198 1.00 0.64 H new ATOM 926 N ILE A 108 -5.705 3.685 6.177 1.00 0.21 N ATOM 927 CA ILE A 108 -4.443 3.013 5.902 1.00 0.17 C ATOM 928 C ILE A 108 -3.496 3.935 5.142 1.00 0.12 C ATOM 929 O ILE A 108 -2.372 4.179 5.574 1.00 0.12 O ATOM 930 CB ILE A 108 -4.684 1.712 5.098 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.887 0.524 6.035 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.559 1.428 4.116 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.212 0.543 6.749 1.00 0.39 C ATOM 0 H ILE A 108 -6.529 3.162 5.881 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.982 2.753 6.855 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.594 1.861 4.517 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.805 -0.399 5.461 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.085 0.512 6.773 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.772 0.506 3.575 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.477 2.253 3.408 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.620 1.321 4.659 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.288 -0.330 7.397 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.289 1.449 7.350 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -7.020 0.523 6.017 1.00 0.39 H new ATOM 945 N LEU A 109 -3.984 4.469 4.038 1.00 0.12 N ATOM 946 CA LEU A 109 -3.194 5.341 3.181 1.00 0.12 C ATOM 947 C LEU A 109 -2.812 6.638 3.869 1.00 0.13 C ATOM 948 O LEU A 109 -1.635 6.994 3.914 1.00 0.13 O ATOM 949 CB LEU A 109 -3.965 5.633 1.914 1.00 0.15 C ATOM 950 CG LEU A 109 -3.807 4.567 0.852 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.829 4.755 -0.232 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.412 4.629 0.274 1.00 0.17 C ATOM 0 H LEU A 109 -4.937 4.313 3.708 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.266 4.821 2.945 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.022 5.738 2.158 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.635 6.590 1.509 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.962 3.588 1.305 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.703 3.981 -0.989 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.829 4.686 0.195 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.697 5.735 -0.690 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.301 3.860 -0.491 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.246 5.610 -0.171 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.682 4.461 1.066 1.00 0.17 H new ATOM 964 N SER A 110 -3.806 7.332 4.400 1.00 0.16 N ATOM 965 CA SER A 110 -3.585 8.598 5.088 1.00 0.20 C ATOM 966 C SER A 110 -2.553 8.421 6.196 1.00 0.19 C ATOM 967 O SER A 110 -1.740 9.307 6.462 1.00 0.22 O ATOM 968 CB SER A 110 -4.905 9.113 5.671 1.00 0.28 C ATOM 969 OG SER A 110 -4.780 10.441 6.154 1.00 1.18 O ATOM 0 H SER A 110 -4.782 7.038 4.368 1.00 0.16 H new ATOM 0 HA SER A 110 -3.206 9.328 4.373 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.681 9.075 4.906 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.225 8.459 6.482 1.00 0.28 H new ATOM 0 HG SER A 110 -5.640 10.739 6.517 1.00 1.18 H new ATOM 975 N ARG A 111 -2.591 7.260 6.828 1.00 0.18 N ATOM 976 CA ARG A 111 -1.674 6.942 7.897 1.00 0.19 C ATOM 977 C ARG A 111 -0.277 6.586 7.376 1.00 0.16 C ATOM 978 O ARG A 111 0.691 7.264 7.712 1.00 0.17 O ATOM 979 CB ARG A 111 -2.249 5.812 8.752 1.00 0.25 C ATOM 980 CG ARG A 111 -3.339 6.276 9.708 1.00 0.33 C ATOM 981 CD ARG A 111 -3.815 5.147 10.606 1.00 1.22 C ATOM 982 NE ARG A 111 -4.550 4.128 9.862 1.00 1.97 N ATOM 983 CZ ARG A 111 -4.909 2.950 10.373 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.512 2.605 11.593 1.00 3.10 N ATOM 985 NH2 ARG A 111 -5.646 2.110 9.654 1.00 3.73 N ATOM 0 H ARG A 111 -3.257 6.518 6.612 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.556 7.832 8.515 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.654 5.040 8.097 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.443 5.353 9.325 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.961 7.094 10.321 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.181 6.667 9.138 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -2.957 4.688 11.097 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.453 5.553 11.391 1.00 1.22 H new ATOM 0 HE ARG A 111 -4.804 4.329 8.895 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -3.932 3.242 12.140 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -4.787 1.704 11.983 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -5.937 2.366 8.711 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -5.920 1.209 10.045 1.00 3.73 H new ATOM 999 N VAL A 112 -0.165 5.557 6.533 1.00 0.15 N ATOM 1000 CA VAL A 112 1.154 5.053 6.132 1.00 0.14 C ATOM 1001 C VAL A 112 1.898 6.025 5.224 1.00 0.14 C ATOM 1002 O VAL A 112 3.105 6.208 5.380 1.00 0.15 O ATOM 1003 CB VAL A 112 1.115 3.663 5.453 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.528 2.617 6.380 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.356 3.713 4.146 1.00 0.15 C ATOM 0 H VAL A 112 -0.956 5.062 6.120 1.00 0.15 H new ATOM 0 HA VAL A 112 1.693 4.950 7.074 1.00 0.14 H new ATOM 0 HB VAL A 112 2.143 3.376 5.232 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.513 1.651 5.876 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.137 2.547 7.281 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.489 2.900 6.651 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.346 2.722 3.693 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.668 4.037 4.332 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.842 4.416 3.470 1.00 0.15 H new ATOM 1015 N LEU A 113 1.192 6.658 4.286 1.00 0.15 N ATOM 1016 CA LEU A 113 1.823 7.580 3.373 1.00 0.16 C ATOM 1017 C LEU A 113 2.435 8.745 4.141 1.00 0.17 C ATOM 1018 O LEU A 113 3.585 9.112 3.916 1.00 0.20 O ATOM 1019 CB LEU A 113 0.801 8.061 2.342 1.00 0.16 C ATOM 1020 CG LEU A 113 0.909 9.523 1.952 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.151 9.748 1.108 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.336 9.970 1.210 1.00 0.27 C ATOM 0 H LEU A 113 0.188 6.542 4.148 1.00 0.15 H new ATOM 0 HA LEU A 113 2.630 7.075 2.842 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.904 7.454 1.443 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.199 7.880 2.735 1.00 0.16 H new ATOM 0 HG LEU A 113 0.994 10.122 2.859 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.219 10.801 0.834 1.00 0.20 H new ATOM 0 HD12 LEU A 113 3.035 9.464 1.679 1.00 0.20 H new ATOM 0 HD13 LEU A 113 2.092 9.141 0.205 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.240 11.021 0.939 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.456 9.372 0.307 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.208 9.839 1.851 1.00 0.27 H new ATOM 1034 N SER A 114 1.669 9.298 5.068 1.00 0.17 N ATOM 1035 CA SER A 114 2.132 10.417 5.870 1.00 0.21 C ATOM 1036 C SER A 114 3.287 9.987 6.773 1.00 0.18 C ATOM 1037 O SER A 114 4.247 10.735 6.959 1.00 0.20 O ATOM 1038 CB SER A 114 0.971 10.979 6.686 1.00 0.26 C ATOM 1039 OG SER A 114 1.383 12.051 7.518 1.00 1.06 O ATOM 0 H SER A 114 0.721 8.988 5.283 1.00 0.17 H new ATOM 0 HA SER A 114 2.503 11.202 5.211 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.186 11.323 6.012 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.541 10.187 7.299 1.00 0.26 H new ATOM 0 HG SER A 114 0.614 12.387 8.024 1.00 1.06 H new ATOM 1045 N ARG A 115 3.203 8.777 7.323 1.00 0.15 N ATOM 1046 CA ARG A 115 4.292 8.228 8.112 1.00 0.16 C ATOM 1047 C ARG A 115 5.574 8.156 7.292 1.00 0.15 C ATOM 1048 O ARG A 115 6.636 8.527 7.770 1.00 0.18 O ATOM 1049 CB ARG A 115 3.933 6.841 8.631 1.00 0.20 C ATOM 1050 CG ARG A 115 2.853 6.857 9.691 1.00 0.31 C ATOM 1051 CD ARG A 115 3.323 7.536 10.962 1.00 0.53 C ATOM 1052 NE ARG A 115 2.315 7.456 12.019 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.552 7.683 13.310 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.770 8.010 13.728 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.565 7.578 14.190 1.00 1.62 N ATOM 0 H ARG A 115 2.393 8.164 7.234 1.00 0.15 H new ATOM 0 HA ARG A 115 4.457 8.892 8.961 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.603 6.223 7.796 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.827 6.372 9.041 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.974 7.374 9.306 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.549 5.835 9.916 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.247 7.070 11.304 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.551 8.581 10.754 1.00 0.53 H new ATOM 0 HE ARG A 115 1.363 7.209 11.748 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.535 8.089 13.058 1.00 1.63 H new ATOM 0 HH12 ARG A 115 3.940 8.182 14.719 1.00 1.63 H new ATOM 0 HH21 ARG A 115 0.628 7.324 13.877 1.00 1.62 H new ATOM 0 HH22 ARG A 115 1.743 7.751 15.179 1.00 1.62 H new ATOM 1069 N ALA A 116 5.468 7.682 6.056 1.00 0.15 N ATOM 1070 CA ALA A 116 6.625 7.558 5.174 1.00 0.18 C ATOM 1071 C ALA A 116 7.094 8.920 4.670 1.00 0.21 C ATOM 1072 O ALA A 116 8.275 9.127 4.397 1.00 0.25 O ATOM 1073 CB ALA A 116 6.294 6.644 4.009 1.00 0.20 C ATOM 0 H ALA A 116 4.589 7.376 5.639 1.00 0.15 H new ATOM 0 HA ALA A 116 7.442 7.122 5.748 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.163 6.557 3.356 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.023 5.658 4.386 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.458 7.060 3.447 1.00 0.20 H new ATOM 1079 N ARG A 117 6.154 9.841 4.546 1.00 0.23 N ATOM 1080 CA ARG A 117 6.427 11.189 4.111 1.00 0.28 C ATOM 1081 C ARG A 117 7.159 11.968 5.205 1.00 0.29 C ATOM 1082 O ARG A 117 7.909 12.903 4.925 1.00 0.39 O ATOM 1083 CB ARG A 117 5.089 11.840 3.742 1.00 0.38 C ATOM 1084 CG ARG A 117 5.102 13.339 3.746 1.00 1.06 C ATOM 1085 CD ARG A 117 5.749 13.862 2.486 1.00 1.15 C ATOM 1086 NE ARG A 117 5.967 15.303 2.533 1.00 1.75 N ATOM 1087 CZ ARG A 117 7.054 15.912 2.066 1.00 2.25 C ATOM 1088 NH1 ARG A 117 8.050 15.200 1.559 1.00 2.33 N ATOM 1089 NH2 ARG A 117 7.140 17.233 2.119 1.00 2.99 N ATOM 0 H ARG A 117 5.170 9.666 4.748 1.00 0.23 H new ATOM 0 HA ARG A 117 7.082 11.190 3.240 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.793 11.495 2.751 1.00 0.38 H new ATOM 0 HB3 ARG A 117 4.327 11.495 4.441 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.083 13.718 3.824 1.00 1.06 H new ATOM 0 HG3 ARG A 117 5.644 13.702 4.619 1.00 1.06 H new ATOM 0 HD2 ARG A 117 6.703 13.357 2.334 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.120 13.620 1.630 1.00 1.15 H new ATOM 0 HE ARG A 117 5.239 15.882 2.951 1.00 1.75 H new ATOM 0 HH11 ARG A 117 7.984 14.183 1.526 1.00 2.33 H new ATOM 0 HH12 ARG A 117 8.882 15.669 1.202 1.00 2.33 H new ATOM 0 HH21 ARG A 117 6.375 17.778 2.516 1.00 2.99 H new ATOM 0 HH22 ARG A 117 7.971 17.705 1.762 1.00 2.99 H new ATOM 1103 N SER A 118 6.943 11.562 6.447 1.00 0.28 N ATOM 1104 CA SER A 118 7.598 12.180 7.589 1.00 0.33 C ATOM 1105 C SER A 118 8.854 11.411 7.959 1.00 0.32 C ATOM 1106 O SER A 118 9.904 11.981 8.252 1.00 0.41 O ATOM 1107 CB SER A 118 6.642 12.188 8.775 1.00 0.38 C ATOM 1108 OG SER A 118 7.091 13.063 9.797 1.00 0.62 O ATOM 0 H SER A 118 6.312 10.799 6.691 1.00 0.28 H new ATOM 0 HA SER A 118 7.875 13.201 7.328 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.650 12.494 8.442 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.547 11.178 9.174 1.00 0.38 H new ATOM 0 HG SER A 118 6.456 13.047 10.543 1.00 0.62 H new ATOM 1114 N ARG A 119 8.708 10.106 7.958 1.00 0.26 N ATOM 1115 CA ARG A 119 9.783 9.186 8.299 1.00 0.28 C ATOM 1116 C ARG A 119 10.153 8.301 7.107 1.00 0.26 C ATOM 1117 O ARG A 119 9.751 7.136 7.036 1.00 0.25 O ATOM 1118 CB ARG A 119 9.369 8.306 9.483 1.00 0.33 C ATOM 1119 CG ARG A 119 9.110 9.080 10.765 1.00 0.47 C ATOM 1120 CD ARG A 119 10.365 9.783 11.253 1.00 1.28 C ATOM 1121 NE ARG A 119 10.084 10.690 12.366 1.00 1.54 N ATOM 1122 CZ ARG A 119 9.950 12.008 12.234 1.00 2.39 C ATOM 1123 NH1 ARG A 119 10.090 12.580 11.046 1.00 3.26 N ATOM 1124 NH2 ARG A 119 9.674 12.759 13.291 1.00 2.60 N ATOM 0 H ARG A 119 7.832 9.642 7.718 1.00 0.26 H new ATOM 0 HA ARG A 119 10.656 9.779 8.573 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.468 7.754 9.215 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.151 7.570 9.667 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.323 9.815 10.595 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.750 8.399 11.536 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.099 9.040 11.566 1.00 1.28 H new ATOM 0 HD3 ARG A 119 10.810 10.344 10.431 1.00 1.28 H new ATOM 0 HE ARG A 119 9.985 10.289 13.299 1.00 1.54 H new ATOM 0 HH11 ARG A 119 10.301 12.010 10.227 1.00 3.26 H new ATOM 0 HH12 ARG A 119 9.986 13.590 10.951 1.00 3.26 H new ATOM 0 HH21 ARG A 119 9.564 12.327 14.209 1.00 2.60 H new ATOM 0 HH22 ARG A 119 9.572 13.769 13.187 1.00 2.60 H new ATOM 1138 N PRO A 120 10.944 8.841 6.167 1.00 0.29 N ATOM 1139 CA PRO A 120 11.451 8.097 5.004 1.00 0.30 C ATOM 1140 C PRO A 120 12.285 6.898 5.429 1.00 0.27 C ATOM 1141 O PRO A 120 12.421 5.915 4.701 1.00 0.28 O ATOM 1142 CB PRO A 120 12.344 9.122 4.296 1.00 0.37 C ATOM 1143 CG PRO A 120 12.667 10.120 5.348 1.00 0.38 C ATOM 1144 CD PRO A 120 11.422 10.225 6.161 1.00 0.35 C ATOM 0 HA PRO A 120 10.647 7.702 4.382 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.246 8.656 3.900 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.828 9.584 3.455 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.512 9.796 5.956 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.938 11.082 4.912 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.622 10.592 7.168 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.698 10.905 5.712 1.00 0.35 H new ATOM 1152 N ALA A 121 12.830 7.003 6.632 1.00 0.25 N ATOM 1153 CA ALA A 121 13.684 5.981 7.206 1.00 0.28 C ATOM 1154 C ALA A 121 13.017 4.606 7.205 1.00 0.27 C ATOM 1155 O ALA A 121 13.675 3.589 6.984 1.00 0.35 O ATOM 1156 CB ALA A 121 14.074 6.391 8.613 1.00 0.33 C ATOM 0 H ALA A 121 12.689 7.809 7.241 1.00 0.25 H new ATOM 0 HA ALA A 121 14.578 5.893 6.588 1.00 0.28 H new ATOM 0 HB1 ALA A 121 14.716 5.626 9.050 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.610 7.340 8.580 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.177 6.502 9.222 1.00 0.33 H new ATOM 1162 N LYS A 122 11.715 4.575 7.438 1.00 0.22 N ATOM 1163 CA LYS A 122 10.985 3.319 7.460 1.00 0.27 C ATOM 1164 C LYS A 122 9.858 3.328 6.439 1.00 0.19 C ATOM 1165 O LYS A 122 8.858 2.627 6.591 1.00 0.18 O ATOM 1166 CB LYS A 122 10.459 3.032 8.863 1.00 0.39 C ATOM 1167 CG LYS A 122 11.560 2.641 9.837 1.00 0.49 C ATOM 1168 CD LYS A 122 11.403 1.203 10.316 1.00 0.66 C ATOM 1169 CE LYS A 122 10.132 1.020 11.131 1.00 1.28 C ATOM 1170 NZ LYS A 122 10.063 -0.324 11.763 1.00 1.79 N ATOM 0 H LYS A 122 11.144 5.402 7.614 1.00 0.22 H new ATOM 0 HA LYS A 122 11.671 2.517 7.186 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.943 3.915 9.240 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.723 2.230 8.813 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.531 2.761 9.356 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.544 3.314 10.694 1.00 0.49 H new ATOM 0 HD2 LYS A 122 11.385 0.533 9.457 1.00 0.66 H new ATOM 0 HD3 LYS A 122 12.266 0.924 10.920 1.00 0.66 H new ATOM 0 HE2 LYS A 122 10.084 1.787 11.904 1.00 1.28 H new ATOM 0 HE3 LYS A 122 9.265 1.162 10.486 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 9.070 -0.568 11.952 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 10.478 -1.031 11.122 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 10.593 -0.314 12.658 1.00 1.79 H new ATOM 1184 N LEU A 123 10.054 4.123 5.388 1.00 0.17 N ATOM 1185 CA LEU A 123 9.169 4.158 4.234 1.00 0.14 C ATOM 1186 C LEU A 123 8.810 2.754 3.763 1.00 0.12 C ATOM 1187 O LEU A 123 7.667 2.479 3.411 1.00 0.12 O ATOM 1188 CB LEU A 123 9.880 4.905 3.116 1.00 0.16 C ATOM 1189 CG LEU A 123 9.329 4.687 1.713 1.00 0.14 C ATOM 1190 CD1 LEU A 123 8.110 5.553 1.457 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.418 4.965 0.708 1.00 0.21 C ATOM 0 H LEU A 123 10.842 4.767 5.317 1.00 0.17 H new ATOM 0 HA LEU A 123 8.242 4.659 4.511 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.843 5.972 3.338 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.930 4.614 3.122 1.00 0.16 H new ATOM 0 HG LEU A 123 9.005 3.651 1.614 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.742 5.373 0.447 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.330 5.305 2.177 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.381 6.603 1.563 1.00 0.15 H new ATOM 0 HD21 LEU A 123 10.031 4.811 -0.299 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.756 5.996 0.813 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.255 4.289 0.882 1.00 0.21 H new ATOM 1203 N TYR A 124 9.795 1.863 3.786 1.00 0.13 N ATOM 1204 CA TYR A 124 9.614 0.519 3.264 1.00 0.13 C ATOM 1205 C TYR A 124 8.627 -0.261 4.098 1.00 0.13 C ATOM 1206 O TYR A 124 7.829 -0.995 3.554 1.00 0.14 O ATOM 1207 CB TYR A 124 10.941 -0.218 3.189 1.00 0.14 C ATOM 1208 CG TYR A 124 11.808 0.231 2.050 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.658 1.325 2.167 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.774 -0.444 0.847 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.445 1.726 1.107 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.548 -0.054 -0.209 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.388 1.030 -0.081 1.00 0.24 C ATOM 1214 OH TYR A 124 14.160 1.424 -1.149 1.00 0.31 O ATOM 0 H TYR A 124 10.725 2.050 4.161 1.00 0.13 H new ATOM 0 HA TYR A 124 9.212 0.609 2.255 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.481 -0.075 4.125 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.750 -1.287 3.091 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.703 1.868 3.100 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.122 -1.298 0.738 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.100 2.578 1.208 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.501 -0.595 -1.143 1.00 0.19 H new ATOM 0 HH TYR A 124 15.030 0.975 -1.107 1.00 0.31 H new ATOM 1224 N VAL A 125 8.674 -0.101 5.408 1.00 0.13 N ATOM 1225 CA VAL A 125 7.685 -0.737 6.272 1.00 0.14 C ATOM 1226 C VAL A 125 6.272 -0.310 5.895 1.00 0.12 C ATOM 1227 O VAL A 125 5.355 -1.123 5.879 1.00 0.14 O ATOM 1228 CB VAL A 125 7.951 -0.429 7.753 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.802 -0.911 8.632 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.263 -1.069 8.164 1.00 0.23 C ATOM 0 H VAL A 125 9.375 0.456 5.896 1.00 0.13 H new ATOM 0 HA VAL A 125 7.775 -1.813 6.126 1.00 0.14 H new ATOM 0 HB VAL A 125 8.022 0.650 7.887 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.019 -0.679 9.675 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.881 -0.411 8.333 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.683 -1.988 8.517 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.459 -0.855 9.215 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.203 -2.148 8.019 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.071 -0.665 7.554 1.00 0.23 H new ATOM 1240 N TYR A 126 6.112 0.956 5.551 1.00 0.11 N ATOM 1241 CA TYR A 126 4.815 1.474 5.155 1.00 0.11 C ATOM 1242 C TYR A 126 4.464 0.969 3.760 1.00 0.10 C ATOM 1243 O TYR A 126 3.303 0.712 3.454 1.00 0.11 O ATOM 1244 CB TYR A 126 4.836 2.998 5.231 1.00 0.12 C ATOM 1245 CG TYR A 126 5.342 3.485 6.570 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.838 2.950 7.748 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.335 4.452 6.660 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.303 3.365 8.976 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.809 4.874 7.890 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.290 4.325 9.044 1.00 0.20 C ATOM 1251 OH TYR A 126 6.750 4.747 10.271 1.00 0.25 O ATOM 0 H TYR A 126 6.865 1.644 5.538 1.00 0.11 H new ATOM 0 HA TYR A 126 4.040 1.118 5.834 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.470 3.393 4.437 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.831 3.385 5.059 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.067 2.195 7.700 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.743 4.881 5.757 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.896 2.940 9.882 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.580 5.628 7.946 1.00 0.20 H new ATOM 0 HH TYR A 126 7.445 5.426 10.144 1.00 0.25 H new ATOM 1261 N ILE A 127 5.490 0.813 2.931 1.00 0.11 N ATOM 1262 CA ILE A 127 5.371 0.110 1.656 1.00 0.11 C ATOM 1263 C ILE A 127 4.885 -1.319 1.894 1.00 0.11 C ATOM 1264 O ILE A 127 3.890 -1.761 1.320 1.00 0.11 O ATOM 1265 CB ILE A 127 6.741 0.075 0.937 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.102 1.470 0.430 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.732 -0.925 -0.200 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.579 1.673 0.183 1.00 0.11 C ATOM 0 H ILE A 127 6.427 1.169 3.122 1.00 0.11 H new ATOM 0 HA ILE A 127 4.652 0.639 1.031 1.00 0.11 H new ATOM 0 HB ILE A 127 7.499 -0.244 1.653 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.560 1.660 -0.496 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.761 2.208 1.156 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.707 -0.930 -0.688 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.518 -1.919 0.192 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.965 -0.647 -0.923 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.752 2.688 -0.175 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.128 1.517 1.112 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.924 0.960 -0.566 1.00 0.11 H new ATOM 1280 N ASN A 128 5.609 -2.017 2.759 1.00 0.12 N ATOM 1281 CA ASN A 128 5.290 -3.370 3.171 1.00 0.14 C ATOM 1282 C ASN A 128 3.851 -3.466 3.650 1.00 0.14 C ATOM 1283 O ASN A 128 3.085 -4.311 3.182 1.00 0.16 O ATOM 1284 CB ASN A 128 6.217 -3.786 4.319 1.00 0.20 C ATOM 1285 CG ASN A 128 7.645 -4.098 3.900 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.348 -4.834 4.584 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.088 -3.544 2.789 1.00 0.26 N ATOM 0 H ASN A 128 6.451 -1.647 3.201 1.00 0.12 H new ATOM 0 HA ASN A 128 5.424 -4.029 2.313 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.236 -2.987 5.060 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.796 -4.664 4.808 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.042 -3.723 2.475 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.477 -2.936 2.243 1.00 0.26 H new ATOM 1294 N GLU A 129 3.502 -2.597 4.593 1.00 0.13 N ATOM 1295 CA GLU A 129 2.164 -2.570 5.159 1.00 0.16 C ATOM 1296 C GLU A 129 1.134 -2.357 4.088 1.00 0.15 C ATOM 1297 O GLU A 129 0.309 -3.216 3.857 1.00 0.17 O ATOM 1298 CB GLU A 129 2.037 -1.465 6.197 1.00 0.23 C ATOM 1299 CG GLU A 129 2.753 -1.790 7.482 1.00 0.29 C ATOM 1300 CD GLU A 129 2.440 -0.818 8.595 1.00 0.60 C ATOM 1301 OE1 GLU A 129 3.145 0.209 8.698 1.00 1.03 O ATOM 1302 OE2 GLU A 129 1.486 -1.061 9.357 1.00 0.90 O ATOM 0 H GLU A 129 4.135 -1.898 4.982 1.00 0.13 H new ATOM 0 HA GLU A 129 1.992 -3.535 5.637 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.438 -0.538 5.786 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.982 -1.290 6.408 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.480 -2.797 7.799 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.828 -1.793 7.302 1.00 0.29 H new ATOM 1309 N LEU A 130 1.226 -1.228 3.421 1.00 0.14 N ATOM 1310 CA LEU A 130 0.290 -0.857 2.372 1.00 0.15 C ATOM 1311 C LEU A 130 0.109 -1.986 1.351 1.00 0.15 C ATOM 1312 O LEU A 130 -1.006 -2.270 0.921 1.00 0.18 O ATOM 1313 CB LEU A 130 0.816 0.403 1.697 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.143 1.112 0.759 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.498 1.301 1.424 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.458 2.450 0.367 1.00 0.12 C ATOM 0 H LEU A 130 1.955 -0.535 3.589 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.691 -0.672 2.809 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.119 1.106 2.473 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.713 0.142 1.136 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.297 0.508 -0.135 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.173 1.811 0.737 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.914 0.328 1.685 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.380 1.900 2.327 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.222 2.970 -0.308 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.615 3.054 1.261 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.412 2.287 -0.134 1.00 0.12 H new ATOM 1328 N CYS A 131 1.205 -2.641 0.994 1.00 0.14 N ATOM 1329 CA CYS A 131 1.160 -3.760 0.060 1.00 0.17 C ATOM 1330 C CYS A 131 0.454 -4.974 0.677 1.00 0.18 C ATOM 1331 O CYS A 131 -0.387 -5.610 0.036 1.00 0.21 O ATOM 1332 CB CYS A 131 2.582 -4.139 -0.368 1.00 0.20 C ATOM 1333 SG CYS A 131 2.676 -5.567 -1.466 1.00 0.53 S ATOM 0 H CYS A 131 2.139 -2.417 1.337 1.00 0.14 H new ATOM 0 HA CYS A 131 0.589 -3.449 -0.815 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.039 -3.283 -0.865 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.174 -4.343 0.524 1.00 0.20 H new ATOM 0 HG CYS A 131 3.729 -5.465 -2.222 1.00 0.53 H new ATOM 1339 N THR A 132 0.787 -5.292 1.923 1.00 0.19 N ATOM 1340 CA THR A 132 0.156 -6.413 2.610 1.00 0.23 C ATOM 1341 C THR A 132 -1.305 -6.088 2.871 1.00 0.21 C ATOM 1342 O THR A 132 -2.183 -6.930 2.724 1.00 0.22 O ATOM 1343 CB THR A 132 0.843 -6.728 3.950 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.258 -6.862 3.764 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.280 -8.013 4.539 1.00 0.36 C ATOM 0 H THR A 132 1.485 -4.794 2.475 1.00 0.19 H new ATOM 0 HA THR A 132 0.249 -7.288 1.967 1.00 0.23 H new ATOM 0 HB THR A 132 0.652 -5.905 4.639 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.646 -5.985 3.563 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.774 -8.226 5.487 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.791 -7.898 4.705 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.453 -8.837 3.847 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.531 -4.838 3.232 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.848 -4.293 3.499 1.00 0.17 C ATOM 1355 C VAL A 133 -3.790 -4.569 2.337 1.00 0.18 C ATOM 1356 O VAL A 133 -4.948 -4.944 2.539 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.727 -2.771 3.750 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.028 -2.040 3.478 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.248 -2.499 5.173 1.00 0.18 C ATOM 0 H VAL A 133 -0.782 -4.156 3.351 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.262 -4.774 4.385 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.988 -2.386 3.047 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.894 -0.975 3.668 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.319 -2.189 2.438 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.808 -2.430 4.132 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.169 -1.423 5.331 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.960 -2.919 5.883 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.272 -2.960 5.323 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.275 -4.415 1.130 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.055 -4.663 -0.062 1.00 0.20 C ATOM 1371 C LEU A 134 -4.541 -6.108 -0.107 1.00 0.23 C ATOM 1372 O LEU A 134 -5.735 -6.358 -0.184 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.219 -4.340 -1.299 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.801 -2.877 -1.412 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.859 -2.662 -2.577 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.018 -2.002 -1.569 1.00 0.20 C ATOM 0 H LEU A 134 -2.315 -4.118 0.953 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.933 -4.018 -0.045 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.324 -4.962 -1.290 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.787 -4.613 -2.188 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.275 -2.607 -0.496 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.580 -1.610 -2.630 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.964 -3.268 -2.438 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.354 -2.953 -3.504 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.709 -0.960 -1.649 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.559 -2.290 -2.470 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.667 -2.123 -0.702 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.632 -7.060 0.016 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.008 -8.459 -0.134 1.00 0.29 C ATOM 1390 C LYS A 135 -4.640 -9.024 1.129 1.00 0.30 C ATOM 1391 O LYS A 135 -5.439 -9.951 1.065 1.00 0.35 O ATOM 1392 CB LYS A 135 -2.823 -9.315 -0.566 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.915 -9.760 -2.019 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.246 -10.456 -2.307 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.212 -11.245 -3.612 1.00 0.91 C ATOM 1396 NZ LYS A 135 -3.974 -10.382 -4.799 1.00 1.59 N ATOM 0 H LYS A 135 -2.645 -6.897 0.216 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.760 -8.492 -0.922 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -1.901 -8.751 -0.421 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -2.763 -10.194 0.075 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.806 -8.895 -2.673 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.092 -10.437 -2.246 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.488 -11.128 -1.484 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.041 -9.712 -2.355 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.429 -12.001 -3.554 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -5.157 -11.774 -3.736 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -4.011 -10.961 -5.662 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -4.706 -9.645 -4.845 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -3.038 -9.936 -4.722 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.267 -8.482 2.275 1.00 0.27 N ATOM 1411 CA ALA A 136 -4.800 -8.957 3.546 1.00 0.30 C ATOM 1412 C ALA A 136 -6.291 -8.676 3.660 1.00 0.31 C ATOM 1413 O ALA A 136 -7.031 -9.453 4.261 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.069 -8.310 4.716 1.00 0.33 C ATOM 0 H ALA A 136 -3.599 -7.715 2.355 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.645 -10.035 3.580 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.484 -8.680 5.654 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.009 -8.559 4.665 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.190 -7.228 4.667 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.735 -7.566 3.092 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.099 -7.130 3.300 1.00 0.35 C ATOM 1422 C HIS A 137 -8.918 -7.141 2.016 1.00 0.35 C ATOM 1423 O HIS A 137 -10.147 -7.064 2.059 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.103 -5.748 3.937 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.266 -5.671 5.178 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.659 -6.203 6.385 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.024 -5.172 5.377 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -6.691 -6.043 7.269 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -5.691 -5.418 6.683 1.00 0.49 N ATOM 0 H HIS A 137 -6.176 -6.960 2.491 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.576 -7.841 3.974 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -7.737 -5.020 3.213 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.128 -5.469 4.179 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.409 -4.673 4.643 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -6.715 -6.369 8.298 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -4.811 -5.159 7.129 1.00 0.49 H new ATOM 1438 N SER A 138 -8.248 -7.233 0.881 1.00 0.31 N ATOM 1439 CA SER A 138 -8.937 -7.342 -0.389 1.00 0.33 C ATOM 1440 C SER A 138 -8.290 -8.388 -1.284 1.00 0.55 C ATOM 1441 O SER A 138 -7.096 -8.666 -1.187 1.00 1.05 O ATOM 1442 CB SER A 138 -8.980 -5.990 -1.106 1.00 0.38 C ATOM 1443 OG SER A 138 -7.703 -5.573 -1.533 1.00 1.00 O ATOM 0 H SER A 138 -7.230 -7.234 0.814 1.00 0.31 H new ATOM 0 HA SER A 138 -9.958 -7.659 -0.178 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.645 -6.058 -1.967 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.401 -5.239 -0.437 1.00 0.38 H new ATOM 0 HG SER A 138 -7.071 -5.639 -0.787 1.00 1.00 H new ATOM 1449 N ALA A 139 -9.117 -8.951 -2.146 1.00 0.38 N ATOM 1450 CA ALA A 139 -8.712 -9.950 -3.133 1.00 0.60 C ATOM 1451 C ALA A 139 -8.028 -11.157 -2.500 1.00 1.01 C ATOM 1452 O ALA A 139 -7.166 -11.785 -3.107 1.00 1.45 O ATOM 1453 CB ALA A 139 -7.818 -9.323 -4.177 1.00 1.41 C ATOM 0 H ALA A 139 -10.111 -8.726 -2.185 1.00 0.38 H new ATOM 0 HA ALA A 139 -9.622 -10.316 -3.609 1.00 0.60 H new ATOM 0 HB1 ALA A 139 -7.524 -10.079 -4.906 1.00 1.41 H new ATOM 0 HB2 ALA A 139 -8.356 -8.521 -4.683 1.00 1.41 H new ATOM 0 HB3 ALA A 139 -6.928 -8.916 -3.697 1.00 1.41 H new ATOM 1459 N LYS A 140 -8.443 -11.496 -1.294 1.00 1.55 N ATOM 1460 CA LYS A 140 -7.888 -12.651 -0.594 1.00 2.37 C ATOM 1461 C LYS A 140 -8.843 -13.810 -0.800 1.00 2.97 C ATOM 1462 O LYS A 140 -8.551 -14.966 -0.500 1.00 3.60 O ATOM 1463 CB LYS A 140 -7.710 -12.346 0.899 1.00 2.91 C ATOM 1464 CG LYS A 140 -6.437 -12.929 1.510 1.00 3.65 C ATOM 1465 CD LYS A 140 -6.495 -14.444 1.658 1.00 4.31 C ATOM 1466 CE LYS A 140 -7.510 -14.867 2.709 1.00 5.16 C ATOM 1467 NZ LYS A 140 -7.512 -16.341 2.921 1.00 5.98 N ATOM 0 H LYS A 140 -9.162 -10.992 -0.775 1.00 1.55 H new ATOM 0 HA LYS A 140 -6.903 -12.899 -0.988 1.00 2.37 H new ATOM 0 HB2 LYS A 140 -7.705 -11.265 1.039 1.00 2.91 H new ATOM 0 HB3 LYS A 140 -8.571 -12.734 1.443 1.00 2.91 H new ATOM 0 HG2 LYS A 140 -5.584 -12.662 0.886 1.00 3.65 H new ATOM 0 HG3 LYS A 140 -6.270 -12.479 2.488 1.00 3.65 H new ATOM 0 HD2 LYS A 140 -6.754 -14.894 0.700 1.00 4.31 H new ATOM 0 HD3 LYS A 140 -5.509 -14.821 1.931 1.00 4.31 H new ATOM 0 HE2 LYS A 140 -7.287 -14.366 3.651 1.00 5.16 H new ATOM 0 HE3 LYS A 140 -8.505 -14.543 2.403 1.00 5.16 H new ATOM 0 HZ1 LYS A 140 -8.217 -16.587 3.645 1.00 5.98 H new ATOM 0 HZ2 LYS A 140 -7.750 -16.820 2.029 1.00 5.98 H new ATOM 0 HZ3 LYS A 140 -6.570 -16.647 3.238 1.00 5.98 H new ATOM 1481 N LYS A 141 -9.994 -13.458 -1.334 1.00 3.06 N ATOM 1482 CA LYS A 141 -11.028 -14.402 -1.666 1.00 3.93 C ATOM 1483 C LYS A 141 -10.729 -15.047 -3.023 1.00 4.23 C ATOM 1484 O LYS A 141 -11.209 -16.141 -3.329 1.00 4.43 O ATOM 1485 CB LYS A 141 -12.359 -13.657 -1.658 1.00 4.13 C ATOM 1486 CG LYS A 141 -13.490 -14.361 -2.381 1.00 5.03 C ATOM 1487 CD LYS A 141 -14.828 -13.673 -2.143 1.00 5.51 C ATOM 1488 CE LYS A 141 -15.481 -14.108 -0.833 1.00 6.31 C ATOM 1489 NZ LYS A 141 -14.676 -13.759 0.372 1.00 6.50 N ATOM 0 H LYS A 141 -10.236 -12.491 -1.551 1.00 3.06 H new ATOM 0 HA LYS A 141 -11.074 -15.212 -0.938 1.00 3.93 H new ATOM 0 HB2 LYS A 141 -12.658 -13.489 -0.623 1.00 4.13 H new ATOM 0 HB3 LYS A 141 -12.212 -12.677 -2.111 1.00 4.13 H new ATOM 0 HG2 LYS A 141 -13.279 -14.385 -3.450 1.00 5.03 H new ATOM 0 HG3 LYS A 141 -13.548 -15.396 -2.044 1.00 5.03 H new ATOM 0 HD2 LYS A 141 -14.681 -12.593 -2.132 1.00 5.51 H new ATOM 0 HD3 LYS A 141 -15.500 -13.895 -2.972 1.00 5.51 H new ATOM 0 HE2 LYS A 141 -16.463 -13.642 -0.753 1.00 6.31 H new ATOM 0 HE3 LYS A 141 -15.640 -15.186 -0.855 1.00 6.31 H new ATOM 0 HZ1 LYS A 141 -15.286 -13.778 1.214 1.00 6.50 H new ATOM 0 HZ2 LYS A 141 -13.906 -14.449 0.487 1.00 6.50 H new ATOM 0 HZ3 LYS A 141 -14.274 -12.807 0.257 1.00 6.50 H new ATOM 1503 N LYS A 142 -9.910 -14.369 -3.821 1.00 4.72 N ATOM 1504 CA LYS A 142 -9.453 -14.916 -5.092 1.00 5.36 C ATOM 1505 C LYS A 142 -8.283 -15.862 -4.867 1.00 5.84 C ATOM 1506 O LYS A 142 -7.126 -15.438 -4.861 1.00 6.44 O ATOM 1507 CB LYS A 142 -9.017 -13.810 -6.064 1.00 6.09 C ATOM 1508 CG LYS A 142 -10.157 -13.102 -6.783 1.00 6.27 C ATOM 1509 CD LYS A 142 -10.889 -12.126 -5.881 1.00 6.25 C ATOM 1510 CE LYS A 142 -11.943 -11.350 -6.655 1.00 7.00 C ATOM 1511 NZ LYS A 142 -11.354 -10.597 -7.797 1.00 7.51 N ATOM 0 H LYS A 142 -9.549 -13.439 -3.609 1.00 4.72 H new ATOM 0 HA LYS A 142 -10.293 -15.454 -5.532 1.00 5.36 H new ATOM 0 HB2 LYS A 142 -8.439 -13.069 -5.512 1.00 6.09 H new ATOM 0 HB3 LYS A 142 -8.350 -14.244 -6.809 1.00 6.09 H new ATOM 0 HG2 LYS A 142 -9.762 -12.568 -7.648 1.00 6.27 H new ATOM 0 HG3 LYS A 142 -10.862 -13.843 -7.160 1.00 6.27 H new ATOM 0 HD2 LYS A 142 -11.361 -12.668 -5.061 1.00 6.25 H new ATOM 0 HD3 LYS A 142 -10.176 -11.432 -5.436 1.00 6.25 H new ATOM 0 HE2 LYS A 142 -12.700 -12.040 -7.027 1.00 7.00 H new ATOM 0 HE3 LYS A 142 -12.447 -10.655 -5.984 1.00 7.00 H new ATOM 0 HZ1 LYS A 142 -12.011 -9.848 -8.095 1.00 7.51 H new ATOM 0 HZ2 LYS A 142 -10.453 -10.170 -7.503 1.00 7.51 H new ATOM 0 HZ3 LYS A 142 -11.186 -11.247 -8.592 1.00 7.51 H new ATOM 1525 N LEU A 143 -8.586 -17.137 -4.667 1.00 5.94 N ATOM 1526 CA LEU A 143 -7.556 -18.153 -4.523 1.00 6.75 C ATOM 1527 C LEU A 143 -6.690 -18.210 -5.774 1.00 7.48 C ATOM 1528 O LEU A 143 -5.486 -18.454 -5.705 1.00 8.28 O ATOM 1529 CB LEU A 143 -8.179 -19.522 -4.253 1.00 7.07 C ATOM 1530 CG LEU A 143 -8.923 -19.646 -2.923 1.00 7.20 C ATOM 1531 CD1 LEU A 143 -9.532 -21.031 -2.785 1.00 7.67 C ATOM 1532 CD2 LEU A 143 -7.985 -19.354 -1.760 1.00 7.50 C ATOM 0 H LEU A 143 -9.540 -17.492 -4.601 1.00 5.94 H new ATOM 0 HA LEU A 143 -6.930 -17.885 -3.672 1.00 6.75 H new ATOM 0 HB2 LEU A 143 -8.872 -19.754 -5.062 1.00 7.07 H new ATOM 0 HB3 LEU A 143 -7.391 -20.274 -4.282 1.00 7.07 H new ATOM 0 HG LEU A 143 -9.729 -18.912 -2.906 1.00 7.20 H new ATOM 0 HD11 LEU A 143 -10.058 -21.104 -1.833 1.00 7.67 H new ATOM 0 HD12 LEU A 143 -10.233 -21.203 -3.602 1.00 7.67 H new ATOM 0 HD13 LEU A 143 -8.742 -21.781 -2.821 1.00 7.67 H new ATOM 0 HD21 LEU A 143 -8.530 -19.447 -0.821 1.00 7.50 H new ATOM 0 HD22 LEU A 143 -7.159 -20.065 -1.772 1.00 7.50 H new ATOM 0 HD23 LEU A 143 -7.593 -18.341 -1.854 1.00 7.50 H new ATOM 1544 N ASN A 144 -7.318 -17.989 -6.917 1.00 7.45 N ATOM 1545 CA ASN A 144 -6.623 -17.924 -8.176 1.00 8.37 C ATOM 1546 C ASN A 144 -7.035 -16.667 -8.922 1.00 8.41 C ATOM 1547 O ASN A 144 -6.237 -15.707 -8.959 1.00 8.66 O ATOM 1548 CB ASN A 144 -6.912 -19.166 -9.018 1.00 8.96 C ATOM 1549 CG ASN A 144 -6.275 -20.420 -8.451 1.00 9.14 C ATOM 1550 OD1 ASN A 144 -5.110 -20.719 -8.725 1.00 9.67 O ATOM 1551 ND2 ASN A 144 -7.036 -21.174 -7.672 1.00 8.96 N ATOM 1552 OXT ASN A 144 -8.175 -16.625 -9.432 1.00 8.44 O ATOM 0 H ASN A 144 -8.326 -17.850 -6.990 1.00 7.45 H new ATOM 0 HA ASN A 144 -5.550 -17.890 -7.985 1.00 8.37 H new ATOM 0 HB2 ASN A 144 -7.990 -19.310 -9.086 1.00 8.96 H new ATOM 0 HB3 ASN A 144 -6.547 -19.005 -10.032 1.00 8.96 H new ATOM 0 HD21 ASN A 144 -6.663 -22.036 -7.275 1.00 8.96 H new ATOM 0 HD22 ASN A 144 -7.995 -20.892 -7.469 1.00 8.96 H new TER 1559 ASN A 144 ATOM 1560 N GLY B 22 0.648 -19.959 1.907 1.00 6.31 N ATOM 1561 CA GLY B 22 1.128 -20.002 3.310 1.00 6.12 C ATOM 1562 C GLY B 22 2.172 -18.939 3.578 1.00 5.43 C ATOM 1563 O GLY B 22 1.838 -17.782 3.837 1.00 5.38 O ATOM 0 HA2 GLY B 22 0.285 -19.863 3.987 1.00 6.12 H new ATOM 0 HA3 GLY B 22 1.548 -20.986 3.521 1.00 6.12 H new ATOM 1569 N SER B 23 3.438 -19.325 3.502 1.00 5.22 N ATOM 1570 CA SER B 23 4.532 -18.387 3.694 1.00 4.79 C ATOM 1571 C SER B 23 5.191 -18.079 2.355 1.00 4.18 C ATOM 1572 O SER B 23 6.289 -17.522 2.292 1.00 4.62 O ATOM 1573 CB SER B 23 5.555 -18.942 4.694 1.00 5.71 C ATOM 1574 OG SER B 23 6.579 -17.998 4.965 1.00 6.30 O ATOM 0 H SER B 23 3.732 -20.282 3.308 1.00 5.22 H new ATOM 0 HA SER B 23 4.133 -17.461 4.107 1.00 4.79 H new ATOM 0 HB2 SER B 23 5.050 -19.210 5.622 1.00 5.71 H new ATOM 0 HB3 SER B 23 5.996 -19.856 4.296 1.00 5.71 H new ATOM 0 HG SER B 23 6.794 -17.505 4.146 1.00 6.30 H new ATOM 1580 N GLN B 24 4.506 -18.456 1.285 1.00 3.65 N ATOM 1581 CA GLN B 24 4.952 -18.142 -0.063 1.00 3.63 C ATOM 1582 C GLN B 24 4.682 -16.677 -0.332 1.00 2.91 C ATOM 1583 O GLN B 24 5.475 -15.981 -0.960 1.00 3.33 O ATOM 1584 CB GLN B 24 4.212 -19.010 -1.075 1.00 4.12 C ATOM 1585 CG GLN B 24 4.357 -20.485 -0.807 1.00 4.90 C ATOM 1586 CD GLN B 24 5.785 -20.970 -0.945 1.00 5.51 C ATOM 1587 OE1 GLN B 24 6.222 -21.344 -2.031 1.00 5.87 O ATOM 1588 NE2 GLN B 24 6.512 -20.985 0.157 1.00 6.00 N ATOM 0 H GLN B 24 3.634 -18.983 1.326 1.00 3.65 H new ATOM 0 HA GLN B 24 6.019 -18.343 -0.157 1.00 3.63 H new ATOM 0 HB2 GLN B 24 3.154 -18.747 -1.065 1.00 4.12 H new ATOM 0 HB3 GLN B 24 4.586 -18.790 -2.075 1.00 4.12 H new ATOM 0 HG2 GLN B 24 4.000 -20.703 0.199 1.00 4.90 H new ATOM 0 HG3 GLN B 24 3.722 -21.039 -1.498 1.00 4.90 H new ATOM 0 HE21 GLN B 24 6.109 -20.665 1.038 1.00 6.00 H new ATOM 0 HE22 GLN B 24 7.476 -21.316 0.127 1.00 6.00 H new ATOM 1597 N GLU B 25 3.538 -16.236 0.153 1.00 2.35 N ATOM 1598 CA GLU B 25 3.174 -14.840 0.145 1.00 2.01 C ATOM 1599 C GLU B 25 3.907 -14.147 1.273 1.00 1.56 C ATOM 1600 O GLU B 25 3.491 -14.184 2.432 1.00 1.77 O ATOM 1601 CB GLU B 25 1.672 -14.672 0.328 1.00 2.30 C ATOM 1602 CG GLU B 25 0.845 -15.758 -0.343 1.00 2.88 C ATOM 1603 CD GLU B 25 0.675 -17.004 0.519 1.00 3.50 C ATOM 1604 OE1 GLU B 25 1.576 -17.871 0.521 1.00 4.06 O ATOM 1605 OE2 GLU B 25 -0.360 -17.123 1.204 1.00 3.84 O ATOM 0 H GLU B 25 2.832 -16.845 0.566 1.00 2.35 H new ATOM 0 HA GLU B 25 3.449 -14.401 -0.814 1.00 2.01 H new ATOM 0 HB2 GLU B 25 1.444 -14.662 1.394 1.00 2.30 H new ATOM 0 HB3 GLU B 25 1.373 -13.703 -0.071 1.00 2.30 H new ATOM 0 HG2 GLU B 25 -0.138 -15.357 -0.588 1.00 2.88 H new ATOM 0 HG3 GLU B 25 1.319 -16.037 -1.284 1.00 2.88 H new ATOM 1612 N ASP B 26 5.003 -13.530 0.918 1.00 1.15 N ATOM 1613 CA ASP B 26 5.926 -12.954 1.883 1.00 0.84 C ATOM 1614 C ASP B 26 5.395 -11.644 2.464 1.00 0.89 C ATOM 1615 O ASP B 26 5.872 -11.172 3.491 1.00 1.83 O ATOM 1616 CB ASP B 26 7.279 -12.729 1.214 1.00 0.68 C ATOM 1617 CG ASP B 26 8.296 -13.808 1.531 1.00 1.00 C ATOM 1618 OD1 ASP B 26 8.744 -13.887 2.691 1.00 1.27 O ATOM 1619 OD2 ASP B 26 8.658 -14.582 0.613 1.00 1.49 O ATOM 0 H ASP B 26 5.290 -13.408 -0.053 1.00 1.15 H new ATOM 0 HA ASP B 26 6.036 -13.653 2.712 1.00 0.84 H new ATOM 0 HB2 ASP B 26 7.138 -12.679 0.134 1.00 0.68 H new ATOM 0 HB3 ASP B 26 7.675 -11.763 1.529 1.00 0.68 H new ATOM 1624 N SER B 27 4.381 -11.092 1.812 1.00 0.55 N ATOM 1625 CA SER B 27 3.765 -9.831 2.177 1.00 0.54 C ATOM 1626 C SER B 27 4.757 -8.678 2.350 1.00 0.44 C ATOM 1627 O SER B 27 5.113 -8.010 1.380 1.00 0.53 O ATOM 1628 CB SER B 27 2.867 -10.019 3.392 1.00 0.75 C ATOM 1629 OG SER B 27 3.577 -10.501 4.524 1.00 1.37 O ATOM 0 H SER B 27 3.955 -11.524 0.992 1.00 0.55 H new ATOM 0 HA SER B 27 3.147 -9.524 1.333 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.395 -9.069 3.641 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.067 -10.717 3.144 1.00 0.75 H new ATOM 0 HG SER B 27 4.531 -10.563 4.310 1.00 1.37 H new ATOM 1635 N ASP B 28 5.188 -8.434 3.568 1.00 0.43 N ATOM 1636 CA ASP B 28 6.129 -7.358 3.841 1.00 0.37 C ATOM 1637 C ASP B 28 7.533 -7.741 3.390 1.00 0.33 C ATOM 1638 O ASP B 28 8.263 -6.923 2.830 1.00 0.31 O ATOM 1639 CB ASP B 28 6.104 -6.953 5.332 1.00 0.44 C ATOM 1640 CG ASP B 28 6.252 -8.123 6.289 1.00 0.95 C ATOM 1641 OD1 ASP B 28 5.496 -9.105 6.161 1.00 1.07 O ATOM 1642 OD2 ASP B 28 7.167 -8.091 7.137 1.00 1.83 O ATOM 0 H ASP B 28 4.904 -8.965 4.391 1.00 0.43 H new ATOM 0 HA ASP B 28 5.819 -6.486 3.265 1.00 0.37 H new ATOM 0 HB2 ASP B 28 6.907 -6.240 5.518 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.166 -6.439 5.543 1.00 0.44 H new ATOM 1647 N SER B 29 7.891 -8.999 3.561 1.00 0.36 N ATOM 1648 CA SER B 29 9.226 -9.447 3.209 1.00 0.34 C ATOM 1649 C SER B 29 9.427 -9.555 1.701 1.00 0.33 C ATOM 1650 O SER B 29 10.562 -9.628 1.236 1.00 0.34 O ATOM 1651 CB SER B 29 9.553 -10.758 3.908 1.00 0.39 C ATOM 1652 OG SER B 29 8.451 -11.640 3.916 1.00 1.07 O ATOM 0 H SER B 29 7.282 -9.725 3.939 1.00 0.36 H new ATOM 0 HA SER B 29 9.924 -8.687 3.558 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.396 -11.235 3.408 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.863 -10.555 4.933 1.00 0.39 H new ATOM 0 HG SER B 29 8.756 -12.546 3.702 1.00 1.07 H new ATOM 1658 N GLU B 30 8.325 -9.557 0.946 1.00 0.35 N ATOM 1659 CA GLU B 30 8.393 -9.542 -0.533 1.00 0.37 C ATOM 1660 C GLU B 30 9.294 -8.410 -0.987 1.00 0.34 C ATOM 1661 O GLU B 30 10.062 -8.527 -1.940 1.00 0.39 O ATOM 1662 CB GLU B 30 7.030 -9.325 -1.184 1.00 0.45 C ATOM 1663 CG GLU B 30 5.937 -10.158 -0.604 1.00 0.68 C ATOM 1664 CD GLU B 30 4.749 -10.361 -1.527 1.00 1.37 C ATOM 1665 OE1 GLU B 30 4.956 -10.761 -2.693 1.00 1.57 O ATOM 1666 OE2 GLU B 30 3.606 -10.085 -1.100 1.00 2.33 O ATOM 0 H GLU B 30 7.377 -9.569 1.323 1.00 0.35 H new ATOM 0 HA GLU B 30 8.776 -10.517 -0.836 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.759 -8.273 -1.091 1.00 0.45 H new ATOM 0 HB3 GLU B 30 7.110 -9.541 -2.249 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.343 -11.133 -0.334 1.00 0.68 H new ATOM 0 HG3 GLU B 30 5.590 -9.691 0.318 1.00 0.68 H new ATOM 1673 N LEU B 31 9.168 -7.313 -0.271 1.00 0.28 N ATOM 1674 CA LEU B 31 9.921 -6.112 -0.520 1.00 0.24 C ATOM 1675 C LEU B 31 11.368 -6.333 -0.143 1.00 0.25 C ATOM 1676 O LEU B 31 12.292 -6.121 -0.929 1.00 0.26 O ATOM 1677 CB LEU B 31 9.381 -4.996 0.351 1.00 0.20 C ATOM 1678 CG LEU B 31 7.973 -4.472 0.050 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.900 -3.783 -1.292 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.945 -5.569 0.147 1.00 0.24 C ATOM 0 H LEU B 31 8.524 -7.234 0.516 1.00 0.28 H new ATOM 0 HA LEU B 31 9.839 -5.854 -1.576 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.396 -5.341 1.385 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.072 -4.156 0.285 1.00 0.20 H new ATOM 0 HG LEU B 31 7.745 -3.727 0.812 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.884 -3.428 -1.464 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.587 -2.937 -1.305 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.176 -4.486 -2.078 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.958 -5.163 -0.072 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.182 -6.354 -0.571 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.951 -5.985 1.155 1.00 0.24 H new ATOM 1692 N GLU B 32 11.520 -6.791 1.087 1.00 0.26 N ATOM 1693 CA GLU B 32 12.818 -6.972 1.730 1.00 0.29 C ATOM 1694 C GLU B 32 13.731 -7.898 0.941 1.00 0.33 C ATOM 1695 O GLU B 32 14.945 -7.904 1.140 1.00 0.38 O ATOM 1696 CB GLU B 32 12.631 -7.538 3.133 1.00 0.29 C ATOM 1697 CG GLU B 32 11.562 -6.831 3.950 1.00 0.26 C ATOM 1698 CD GLU B 32 11.566 -7.282 5.396 1.00 0.34 C ATOM 1699 OE1 GLU B 32 12.447 -6.842 6.160 1.00 0.47 O ATOM 1700 OE2 GLU B 32 10.674 -8.072 5.780 1.00 0.59 O ATOM 0 H GLU B 32 10.733 -7.053 1.681 1.00 0.26 H new ATOM 0 HA GLU B 32 13.290 -5.990 1.775 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.375 -8.595 3.056 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.580 -7.478 3.667 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.724 -5.754 3.905 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.583 -7.025 3.512 1.00 0.26 H new ATOM 1707 N GLN B 33 13.133 -8.681 0.063 1.00 0.35 N ATOM 1708 CA GLN B 33 13.875 -9.607 -0.783 1.00 0.40 C ATOM 1709 C GLN B 33 14.975 -8.882 -1.536 1.00 0.39 C ATOM 1710 O GLN B 33 16.139 -9.279 -1.503 1.00 0.48 O ATOM 1711 CB GLN B 33 12.946 -10.265 -1.792 1.00 0.43 C ATOM 1712 CG GLN B 33 11.779 -10.982 -1.170 1.00 0.47 C ATOM 1713 CD GLN B 33 12.201 -12.120 -0.272 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.395 -13.247 -0.724 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.314 -11.839 1.011 1.00 0.57 N ATOM 0 H GLN B 33 12.124 -8.696 -0.086 1.00 0.35 H new ATOM 0 HA GLN B 33 14.316 -10.366 -0.137 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.570 -9.503 -2.475 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.519 -10.974 -2.390 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.187 -10.271 -0.594 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.134 -11.368 -1.959 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.144 -10.889 1.342 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.572 -12.571 1.673 1.00 0.57 H new ATOM 1724 N TYR B 34 14.595 -7.804 -2.196 1.00 0.32 N ATOM 1725 CA TYR B 34 15.508 -7.093 -3.067 1.00 0.32 C ATOM 1726 C TYR B 34 15.786 -5.666 -2.601 1.00 0.30 C ATOM 1727 O TYR B 34 16.770 -5.060 -3.026 1.00 0.37 O ATOM 1728 CB TYR B 34 14.966 -7.087 -4.496 1.00 0.32 C ATOM 1729 CG TYR B 34 13.454 -7.111 -4.603 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.661 -6.222 -3.887 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.819 -8.016 -5.442 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.298 -6.235 -4.001 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.443 -8.037 -5.559 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.686 -7.142 -4.836 1.00 0.34 C ATOM 1735 OH TYR B 34 9.316 -7.152 -4.955 1.00 0.40 O ATOM 0 H TYR B 34 13.659 -7.402 -2.144 1.00 0.32 H new ATOM 0 HA TYR B 34 16.460 -7.624 -3.033 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.338 -6.199 -5.007 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.367 -7.951 -5.025 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.130 -5.507 -3.228 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.411 -8.716 -6.013 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.702 -5.534 -3.436 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.964 -8.750 -6.213 1.00 0.42 H new ATOM 0 HH TYR B 34 8.933 -6.452 -4.386 1.00 0.40 H new ATOM 1745 N PHE B 35 14.940 -5.114 -1.736 1.00 0.27 N ATOM 1746 CA PHE B 35 15.159 -3.751 -1.274 1.00 0.26 C ATOM 1747 C PHE B 35 14.578 -3.502 0.107 1.00 0.25 C ATOM 1748 O PHE B 35 13.577 -4.096 0.482 1.00 0.25 O ATOM 1749 CB PHE B 35 14.596 -2.724 -2.269 1.00 0.25 C ATOM 1750 CG PHE B 35 13.145 -2.871 -2.640 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.148 -2.806 -1.686 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.786 -3.039 -3.964 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.826 -2.914 -2.038 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.460 -3.152 -4.325 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.478 -3.091 -3.360 1.00 0.18 C ATOM 0 H PHE B 35 14.117 -5.577 -1.350 1.00 0.27 H new ATOM 0 HA PHE B 35 16.240 -3.626 -1.207 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.741 -1.728 -1.850 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.188 -2.775 -3.183 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.413 -2.668 -0.648 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.552 -3.082 -4.724 1.00 0.22 H new ATOM 0 HE1 PHE B 35 10.059 -2.860 -1.280 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.191 -3.288 -5.362 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.439 -3.182 -3.639 1.00 0.18 H new ATOM 1765 N THR B 36 15.239 -2.622 0.851 1.00 0.27 N ATOM 1766 CA THR B 36 14.737 -2.110 2.126 1.00 0.27 C ATOM 1767 C THR B 36 15.611 -0.966 2.619 1.00 0.32 C ATOM 1768 O THR B 36 16.458 -0.463 1.878 1.00 0.45 O ATOM 1769 CB THR B 36 14.638 -3.190 3.226 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.599 -4.230 3.016 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.239 -3.766 3.275 1.00 0.27 C ATOM 0 H THR B 36 16.146 -2.239 0.586 1.00 0.27 H new ATOM 0 HA THR B 36 13.724 -1.757 1.931 1.00 0.27 H new ATOM 0 HB THR B 36 14.857 -2.717 4.184 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.517 -4.900 3.726 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.185 -4.526 4.055 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.526 -2.971 3.493 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.997 -4.217 2.312 1.00 0.27 H new ATOM 1779 N ALA B 37 15.396 -0.554 3.860 1.00 0.32 N ATOM 1780 CA ALA B 37 16.130 0.563 4.435 1.00 0.35 C ATOM 1781 C ALA B 37 16.839 0.140 5.710 1.00 0.43 C ATOM 1782 O ALA B 37 16.915 -1.049 6.021 1.00 0.53 O ATOM 1783 CB ALA B 37 15.193 1.726 4.733 1.00 0.29 C ATOM 0 H ALA B 37 14.716 -0.979 4.490 1.00 0.32 H new ATOM 0 HA ALA B 37 16.874 0.885 3.706 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.762 2.551 5.162 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.717 2.056 3.809 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.429 1.405 5.441 1.00 0.29 H new ATOM 1789 N ARG B 38 17.349 1.128 6.433 1.00 0.44 N ATOM 1790 CA ARG B 38 18.024 0.904 7.704 1.00 0.52 C ATOM 1791 C ARG B 38 17.180 0.058 8.658 1.00 0.56 C ATOM 1792 O ARG B 38 17.673 -0.919 9.226 1.00 0.67 O ATOM 1793 CB ARG B 38 18.398 2.248 8.361 1.00 0.57 C ATOM 1794 CG ARG B 38 17.219 3.048 8.905 1.00 0.67 C ATOM 1795 CD ARG B 38 16.601 3.938 7.855 1.00 0.93 C ATOM 1796 NE ARG B 38 17.428 5.108 7.558 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.293 5.880 6.481 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.376 5.599 5.561 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.079 6.940 6.329 1.00 2.94 N ATOM 0 H ARG B 38 17.306 2.108 6.154 1.00 0.44 H new ATOM 0 HA ARG B 38 18.937 0.346 7.495 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.095 2.055 9.177 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.926 2.859 7.629 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.463 2.363 9.289 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.552 3.657 9.745 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.447 3.364 6.941 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.619 4.267 8.194 1.00 0.93 H new ATOM 0 HE ARG B 38 18.161 5.350 8.224 1.00 1.60 H new ATOM 0 HH11 ARG B 38 15.769 4.787 5.677 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.279 6.195 4.739 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.782 7.159 7.035 1.00 2.94 H new ATOM 0 HH22 ARG B 38 17.980 7.535 5.506 1.00 2.94 H new ATOM 1813 N TRP B 39 15.910 0.427 8.798 1.00 0.54 N ATOM 1814 CA TRP B 39 14.975 -0.266 9.672 1.00 0.64 C ATOM 1815 C TRP B 39 15.535 -0.425 11.082 1.00 0.85 C ATOM 1816 O TRP B 39 15.687 0.602 11.775 1.00 1.41 O ATOM 1817 CB TRP B 39 14.600 -1.613 9.055 1.00 0.60 C ATOM 1818 CG TRP B 39 13.766 -1.449 7.836 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.850 -0.445 6.929 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.721 -2.305 7.400 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.896 -0.610 5.955 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.195 -1.755 6.221 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.176 -3.482 7.893 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.147 -2.352 5.533 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.142 -4.067 7.207 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.636 -3.503 6.039 1.00 0.25 C ATOM 1827 OXT TRP B 39 15.808 -1.567 11.499 1.00 1.45 O ATOM 0 H TRP B 39 15.500 1.220 8.304 1.00 0.54 H new ATOM 0 HA TRP B 39 14.071 0.336 9.766 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.507 -2.163 8.803 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.058 -2.210 9.788 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.563 0.366 6.967 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.737 0.016 5.166 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.558 -3.929 8.799 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.752 -1.916 4.627 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.711 -4.984 7.581 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.821 -3.991 5.526 1.00 0.25 H new TER 1838 TRP B 39