USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 792 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 92 HIS :FLIP no HE2:sc= -3.58! C(o=-4.3!,f=-3.7!) USER MOD Set 1.2: A 94 HIS :FLIP no HD1:sc= -0.164 X(o=-3.9,f=-3.7) USER MOD Set 2.1: A 1 MET N :NH3+ -135:sc= 0.118 (180deg=-0.12) USER MOD Set 2.2: A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -5.42! C(o=-5.4!,f=-5.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.123 USER MOD Single : A 7 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.73) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.545 K(o=-0.54,f=-2.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -156:sc= -0.0545 (180deg=-0.63) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -18.5! C(o=-19!,f=-19!) USER MOD Single : A 56 THR OG1 : rot 45:sc= 0.101 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00175 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00868) USER MOD Single : A 76 THR OG1 : rot -116:sc= 0.335 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.677 K(o=-0.68,f=-4.7!) USER MOD Single : A 80 LYS NZ :NH3+ -114:sc= 0.529 (180deg=-0.0444) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.547 F(o=-1.1,f=-0.55) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS :FLIP no HE2:sc= -0.0843 F(o=-0.99,f=-0.084) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.0992 F(o=-0.77,f=-0.099) USER MOD Single : A 93 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.2) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.094) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.088 -15.052 -2.018 1.00 0.00 N ATOM 2 CA MET A 1 1.192 -13.968 -1.056 1.00 0.00 C ATOM 3 C MET A 1 2.403 -14.160 -0.140 1.00 0.00 C ATOM 4 O MET A 1 3.196 -15.079 -0.340 1.00 0.00 O ATOM 5 CB MET A 1 -0.082 -13.911 -0.212 1.00 0.00 C ATOM 6 CG MET A 1 -1.298 -13.570 -1.076 1.00 0.00 C ATOM 7 SD MET A 1 -2.693 -13.166 -0.038 1.00 0.00 S ATOM 8 CE MET A 1 -3.153 -11.589 -0.737 1.00 0.00 C ATOM 0 H1 MET A 1 0.888 -14.661 -2.961 1.00 0.00 H new ATOM 0 H2 MET A 1 1.984 -15.580 -2.045 1.00 0.00 H new ATOM 0 H3 MET A 1 0.318 -15.692 -1.738 1.00 0.00 H new ATOM 0 HA MET A 1 1.319 -13.034 -1.603 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.239 -14.871 0.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.031 -13.164 0.574 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.065 -12.729 -1.730 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.546 -14.415 -1.719 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.015 -11.191 -0.202 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.318 -10.894 -0.647 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.407 -11.718 -1.789 1.00 0.00 H new ATOM 18 N GLU A 2 2.507 -13.280 0.843 1.00 0.00 N ATOM 19 CA GLU A 2 3.608 -13.342 1.790 1.00 0.00 C ATOM 20 C GLU A 2 4.934 -13.062 1.080 1.00 0.00 C ATOM 21 O GLU A 2 4.968 -12.900 -0.139 1.00 0.00 O ATOM 22 CB GLU A 2 3.642 -14.696 2.503 1.00 0.00 C ATOM 23 CG GLU A 2 2.426 -14.867 3.415 1.00 0.00 C ATOM 24 CD GLU A 2 1.436 -15.874 2.826 1.00 0.00 C ATOM 25 OE1 GLU A 2 1.747 -17.082 2.898 1.00 0.00 O ATOM 26 OE2 GLU A 2 0.391 -15.413 2.320 1.00 0.00 O ATOM 0 H GLU A 2 1.847 -12.519 1.005 1.00 0.00 H new ATOM 0 HA GLU A 2 3.455 -12.574 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.664 -15.499 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.556 -14.778 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.750 -15.204 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.933 -13.905 3.553 1.00 0.00 H new ATOM 33 N ASN A 3 5.994 -13.013 1.874 1.00 0.00 N ATOM 34 CA ASN A 3 7.318 -12.754 1.338 1.00 0.00 C ATOM 35 C ASN A 3 7.666 -13.830 0.306 1.00 0.00 C ATOM 36 O ASN A 3 6.776 -14.421 -0.302 1.00 0.00 O ATOM 37 CB ASN A 3 8.378 -12.798 2.441 1.00 0.00 C ATOM 38 CG ASN A 3 8.774 -14.239 2.764 1.00 0.00 C ATOM 39 OD1 ASN A 3 9.864 -14.695 2.461 1.00 0.00 O ATOM 40 ND2 ASN A 3 7.828 -14.931 3.397 1.00 0.00 N ATOM 0 H ASN A 3 5.962 -13.148 2.884 1.00 0.00 H new ATOM 0 HA ASN A 3 7.309 -11.763 0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.258 -12.237 2.127 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.994 -12.313 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.995 -15.903 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.937 -14.489 3.621 1.00 0.00 H new ATOM 47 N LYS A 4 8.962 -14.052 0.142 1.00 0.00 N ATOM 48 CA LYS A 4 9.437 -15.046 -0.804 1.00 0.00 C ATOM 49 C LYS A 4 9.119 -14.582 -2.227 1.00 0.00 C ATOM 50 O LYS A 4 8.314 -15.201 -2.921 1.00 0.00 O ATOM 51 CB LYS A 4 8.866 -16.424 -0.466 1.00 0.00 C ATOM 52 CG LYS A 4 9.043 -17.395 -1.635 1.00 0.00 C ATOM 53 CD LYS A 4 7.688 -17.856 -2.175 1.00 0.00 C ATOM 54 CE LYS A 4 7.699 -17.916 -3.704 1.00 0.00 C ATOM 55 NZ LYS A 4 8.349 -19.163 -4.169 1.00 0.00 N ATOM 0 H LYS A 4 9.698 -13.560 0.649 1.00 0.00 H new ATOM 0 HA LYS A 4 10.520 -15.149 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.364 -16.820 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.808 -16.333 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.610 -16.912 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.622 -18.259 -1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.447 -18.839 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.907 -17.173 -1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.678 -17.868 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.229 -17.052 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.348 -19.188 -5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.329 -19.194 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.827 -19.984 -3.803 1.00 0.00 H new ATOM 69 N LYS A 5 9.769 -13.496 -2.620 1.00 0.00 N ATOM 70 CA LYS A 5 9.566 -12.941 -3.948 1.00 0.00 C ATOM 71 C LYS A 5 8.147 -12.378 -4.049 1.00 0.00 C ATOM 72 O LYS A 5 7.231 -12.872 -3.394 1.00 0.00 O ATOM 73 CB LYS A 5 9.891 -13.984 -5.020 1.00 0.00 C ATOM 74 CG LYS A 5 11.393 -14.025 -5.306 1.00 0.00 C ATOM 75 CD LYS A 5 11.816 -12.848 -6.186 1.00 0.00 C ATOM 76 CE LYS A 5 13.289 -12.501 -5.970 1.00 0.00 C ATOM 77 NZ LYS A 5 13.895 -11.999 -7.223 1.00 0.00 N ATOM 0 H LYS A 5 10.437 -12.986 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 5 10.252 -12.112 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.553 -14.967 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.349 -13.750 -5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.946 -13.999 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.647 -14.963 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.647 -13.095 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.198 -11.980 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.380 -11.747 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.829 -13.383 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.895 -11.769 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.826 -12.730 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.390 -11.145 -7.535 1.00 0.00 H new ATOM 91 N SER A 6 8.012 -11.349 -4.874 1.00 0.00 N ATOM 92 CA SER A 6 6.719 -10.713 -5.069 1.00 0.00 C ATOM 93 C SER A 6 6.402 -9.799 -3.884 1.00 0.00 C ATOM 94 O SER A 6 5.903 -10.257 -2.858 1.00 0.00 O ATOM 95 CB SER A 6 5.613 -11.755 -5.246 1.00 0.00 C ATOM 96 OG SER A 6 6.038 -12.852 -6.051 1.00 0.00 O ATOM 0 H SER A 6 8.775 -10.941 -5.414 1.00 0.00 H new ATOM 0 HA SER A 6 6.766 -10.115 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.301 -12.122 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.742 -11.285 -5.703 1.00 0.00 H new ATOM 0 HG SER A 6 5.305 -13.496 -6.139 1.00 0.00 H new ATOM 102 N HIS A 7 6.705 -8.522 -4.065 1.00 0.00 N ATOM 103 CA HIS A 7 6.458 -7.539 -3.024 1.00 0.00 C ATOM 104 C HIS A 7 4.997 -7.092 -3.076 1.00 0.00 C ATOM 105 O HIS A 7 4.487 -6.748 -4.141 1.00 0.00 O ATOM 106 CB HIS A 7 7.441 -6.371 -3.135 1.00 0.00 C ATOM 107 CG HIS A 7 8.810 -6.765 -3.635 1.00 0.00 C ATOM 108 ND1 HIS A 7 9.127 -6.828 -4.980 1.00 0.00 N ATOM 109 CD2 HIS A 7 9.940 -7.115 -2.955 1.00 0.00 C ATOM 110 CE1 HIS A 7 10.393 -7.201 -5.094 1.00 0.00 C ATOM 111 NE2 HIS A 7 10.895 -7.379 -3.839 1.00 0.00 N ATOM 0 H HIS A 7 7.119 -8.145 -4.917 1.00 0.00 H new ATOM 0 HA HIS A 7 6.628 -7.989 -2.046 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.023 -5.620 -3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.544 -5.902 -2.156 1.00 0.00 H new ATOM 0 HD2 HIS A 7 10.041 -7.168 -1.881 1.00 0.00 H new ATOM 0 HE1 HIS A 7 10.933 -7.340 -6.019 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.848 -7.668 -3.616 1.00 0.00 H new ATOM 119 N TYR A 8 4.363 -7.110 -1.913 1.00 0.00 N ATOM 120 CA TYR A 8 2.969 -6.710 -1.812 1.00 0.00 C ATOM 121 C TYR A 8 2.835 -5.368 -1.092 1.00 0.00 C ATOM 122 O TYR A 8 3.446 -5.157 -0.046 1.00 0.00 O ATOM 123 CB TYR A 8 2.279 -7.794 -0.982 1.00 0.00 C ATOM 124 CG TYR A 8 1.877 -9.033 -1.785 1.00 0.00 C ATOM 125 CD1 TYR A 8 2.843 -9.795 -2.408 1.00 0.00 C ATOM 126 CD2 TYR A 8 0.546 -9.387 -1.885 1.00 0.00 C ATOM 127 CE1 TYR A 8 2.464 -10.960 -3.164 1.00 0.00 C ATOM 128 CE2 TYR A 8 0.168 -10.553 -2.641 1.00 0.00 C ATOM 129 CZ TYR A 8 1.145 -11.282 -3.243 1.00 0.00 C ATOM 130 OH TYR A 8 0.788 -12.383 -3.957 1.00 0.00 O ATOM 0 H TYR A 8 4.789 -7.396 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 8 2.528 -6.599 -2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.945 -8.098 -0.175 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.388 -7.370 -0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.884 -9.518 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.210 -8.790 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.210 -11.565 -3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.869 -10.842 -2.728 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.185 -12.492 -3.926 1.00 0.00 H new ATOM 140 N PHE A 9 2.031 -4.494 -1.680 1.00 0.00 N ATOM 141 CA PHE A 9 1.808 -3.179 -1.107 1.00 0.00 C ATOM 142 C PHE A 9 0.445 -3.105 -0.416 1.00 0.00 C ATOM 143 O PHE A 9 -0.590 -3.281 -1.055 1.00 0.00 O ATOM 144 CB PHE A 9 1.834 -2.176 -2.263 1.00 0.00 C ATOM 145 CG PHE A 9 2.075 -0.729 -1.827 1.00 0.00 C ATOM 146 CD1 PHE A 9 1.246 -0.147 -0.920 1.00 0.00 C ATOM 147 CD2 PHE A 9 3.114 -0.026 -2.349 1.00 0.00 C ATOM 148 CE1 PHE A 9 1.469 1.196 -0.516 1.00 0.00 C ATOM 149 CE2 PHE A 9 3.337 1.316 -1.945 1.00 0.00 C ATOM 150 CZ PHE A 9 2.509 1.900 -1.037 1.00 0.00 C ATOM 0 H PHE A 9 1.526 -4.672 -2.548 1.00 0.00 H new ATOM 0 HA PHE A 9 2.575 -2.964 -0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.614 -2.468 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.886 -2.230 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.419 -0.705 -0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.770 -0.489 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.812 1.659 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.164 1.874 -2.358 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.678 2.922 -0.730 1.00 0.00 H new ATOM 160 N TYR A 10 0.490 -2.845 0.884 1.00 0.00 N ATOM 161 CA TYR A 10 -0.728 -2.747 1.670 1.00 0.00 C ATOM 162 C TYR A 10 -0.854 -1.366 2.315 1.00 0.00 C ATOM 163 O TYR A 10 0.125 -0.827 2.832 1.00 0.00 O ATOM 164 CB TYR A 10 -0.607 -3.803 2.770 1.00 0.00 C ATOM 165 CG TYR A 10 0.313 -3.399 3.922 1.00 0.00 C ATOM 166 CD1 TYR A 10 1.663 -3.679 3.858 1.00 0.00 C ATOM 167 CD2 TYR A 10 -0.206 -2.753 5.025 1.00 0.00 C ATOM 168 CE1 TYR A 10 2.529 -3.298 4.943 1.00 0.00 C ATOM 169 CE2 TYR A 10 0.661 -2.372 6.110 1.00 0.00 C ATOM 170 CZ TYR A 10 1.986 -2.663 6.015 1.00 0.00 C ATOM 171 OH TYR A 10 2.805 -2.304 7.041 1.00 0.00 O ATOM 0 H TYR A 10 1.351 -2.699 1.411 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.605 -2.899 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.600 -4.013 3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.237 -4.729 2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.070 -4.184 2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.262 -2.533 5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.587 -3.512 4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.268 -1.867 6.980 1.00 0.00 H new ATOM 0 HH TYR A 10 2.280 -1.858 7.738 1.00 0.00 H new ATOM 181 N VAL A 11 -2.064 -0.833 2.266 1.00 0.00 N ATOM 182 CA VAL A 11 -2.331 0.476 2.840 1.00 0.00 C ATOM 183 C VAL A 11 -3.243 0.317 4.059 1.00 0.00 C ATOM 184 O VAL A 11 -4.466 0.328 3.929 1.00 0.00 O ATOM 185 CB VAL A 11 -2.912 1.408 1.776 1.00 0.00 C ATOM 186 CG1 VAL A 11 -3.017 2.842 2.300 1.00 0.00 C ATOM 187 CG2 VAL A 11 -2.084 1.352 0.490 1.00 0.00 C ATOM 0 H VAL A 11 -2.873 -1.283 1.837 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.405 0.937 3.184 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.919 1.064 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.433 3.484 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.667 2.863 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.026 3.202 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.517 2.023 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.060 1.659 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.084 0.334 0.101 1.00 0.00 H new ATOM 197 N LEU A 12 -2.613 0.174 5.216 1.00 0.00 N ATOM 198 CA LEU A 12 -3.354 0.013 6.455 1.00 0.00 C ATOM 199 C LEU A 12 -3.808 1.386 6.955 1.00 0.00 C ATOM 200 O LEU A 12 -3.097 2.376 6.794 1.00 0.00 O ATOM 201 CB LEU A 12 -2.525 -0.768 7.478 1.00 0.00 C ATOM 202 CG LEU A 12 -1.894 0.057 8.602 1.00 0.00 C ATOM 203 CD1 LEU A 12 -1.069 1.214 8.038 1.00 0.00 C ATOM 204 CD2 LEU A 12 -2.959 0.540 9.590 1.00 0.00 C ATOM 0 H LEU A 12 -1.598 0.166 5.321 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.253 -0.580 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.163 -1.529 7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.729 -1.291 6.948 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.209 -0.586 9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.632 1.783 8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.273 0.819 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.712 1.865 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.485 1.124 10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.686 1.161 9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.465 -0.320 10.029 1.00 0.00 H new ATOM 216 N LEU A 13 -4.992 1.401 7.550 1.00 0.00 N ATOM 217 CA LEU A 13 -5.550 2.636 8.073 1.00 0.00 C ATOM 218 C LEU A 13 -5.624 2.552 9.600 1.00 0.00 C ATOM 219 O LEU A 13 -5.982 1.510 10.150 1.00 0.00 O ATOM 220 CB LEU A 13 -6.894 2.941 7.409 1.00 0.00 C ATOM 221 CG LEU A 13 -7.812 3.906 8.162 1.00 0.00 C ATOM 222 CD1 LEU A 13 -8.709 4.678 7.192 1.00 0.00 C ATOM 223 CD2 LEU A 13 -8.621 3.170 9.230 1.00 0.00 C ATOM 0 H LEU A 13 -5.580 0.578 7.681 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.902 3.478 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.702 3.353 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.427 2.001 7.266 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.191 4.639 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.352 5.357 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.090 5.251 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.325 3.977 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.265 3.878 9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.233 2.402 8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.942 2.704 9.944 1.00 0.00 H new ATOM 235 N CYS A 14 -5.283 3.660 10.239 1.00 0.00 N ATOM 236 CA CYS A 14 -5.307 3.723 11.691 1.00 0.00 C ATOM 237 C CYS A 14 -6.657 4.296 12.124 1.00 0.00 C ATOM 238 O CYS A 14 -7.366 4.902 11.322 1.00 0.00 O ATOM 239 CB CYS A 14 -4.137 4.542 12.241 1.00 0.00 C ATOM 240 SG CYS A 14 -2.794 3.426 12.786 1.00 0.00 S ATOM 0 H CYS A 14 -4.989 4.521 9.779 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.189 2.721 12.103 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.767 5.223 11.474 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.473 5.156 13.077 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.805 4.131 13.249 1.00 0.00 H new ATOM 246 N GLN A 15 -6.976 4.083 13.393 1.00 0.00 N ATOM 247 CA GLN A 15 -8.230 4.569 13.943 1.00 0.00 C ATOM 248 C GLN A 15 -8.346 6.082 13.739 1.00 0.00 C ATOM 249 O GLN A 15 -9.374 6.571 13.273 1.00 0.00 O ATOM 250 CB GLN A 15 -8.357 4.204 15.423 1.00 0.00 C ATOM 251 CG GLN A 15 -9.768 4.496 15.939 1.00 0.00 C ATOM 252 CD GLN A 15 -10.759 3.437 15.453 1.00 0.00 C ATOM 253 OE1 GLN A 15 -11.054 3.321 14.275 1.00 0.00 O ATOM 254 NE2 GLN A 15 -11.254 2.672 16.421 1.00 0.00 N ATOM 0 H GLN A 15 -6.387 3.580 14.056 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.050 4.086 13.412 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.126 3.148 15.562 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.629 4.769 16.005 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.763 4.521 17.029 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.087 5.481 15.599 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.965 2.822 17.388 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.923 1.935 16.197 1.00 0.00 H new ATOM 263 N ASP A 16 -7.279 6.780 14.098 1.00 0.00 N ATOM 264 CA ASP A 16 -7.249 8.226 13.961 1.00 0.00 C ATOM 265 C ASP A 16 -7.573 8.603 12.514 1.00 0.00 C ATOM 266 O ASP A 16 -8.104 9.682 12.253 1.00 0.00 O ATOM 267 CB ASP A 16 -5.864 8.782 14.295 1.00 0.00 C ATOM 268 CG ASP A 16 -5.831 9.785 15.449 1.00 0.00 C ATOM 269 OD1 ASP A 16 -6.305 9.408 16.542 1.00 0.00 O ATOM 270 OD2 ASP A 16 -5.335 10.909 15.212 1.00 0.00 O ATOM 0 H ASP A 16 -6.428 6.371 14.484 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.982 8.646 14.650 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.204 7.949 14.538 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.457 9.262 13.405 1.00 0.00 H new ATOM 275 N GLY A 17 -7.242 7.693 11.610 1.00 0.00 N ATOM 276 CA GLY A 17 -7.492 7.915 10.196 1.00 0.00 C ATOM 277 C GLY A 17 -6.197 8.267 9.460 1.00 0.00 C ATOM 278 O GLY A 17 -6.150 9.239 8.708 1.00 0.00 O ATOM 0 H GLY A 17 -6.802 6.799 11.830 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.933 7.021 9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.215 8.721 10.073 1.00 0.00 H new ATOM 282 N SER A 18 -5.178 7.454 9.700 1.00 0.00 N ATOM 283 CA SER A 18 -3.887 7.666 9.070 1.00 0.00 C ATOM 284 C SER A 18 -3.704 6.685 7.909 1.00 0.00 C ATOM 285 O SER A 18 -3.643 5.475 8.121 1.00 0.00 O ATOM 286 CB SER A 18 -2.749 7.513 10.080 1.00 0.00 C ATOM 287 OG SER A 18 -1.847 8.616 10.039 1.00 0.00 O ATOM 0 H SER A 18 -5.221 6.647 10.323 1.00 0.00 H new ATOM 0 HA SER A 18 -3.858 8.685 8.684 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.165 7.422 11.083 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.204 6.591 9.876 1.00 0.00 H new ATOM 0 HG SER A 18 -1.136 8.482 10.700 1.00 0.00 H new ATOM 293 N PHE A 19 -3.619 7.243 6.711 1.00 0.00 N ATOM 294 CA PHE A 19 -3.443 6.432 5.520 1.00 0.00 C ATOM 295 C PHE A 19 -1.961 6.151 5.262 1.00 0.00 C ATOM 296 O PHE A 19 -1.230 7.026 4.803 1.00 0.00 O ATOM 297 CB PHE A 19 -4.009 7.233 4.345 1.00 0.00 C ATOM 298 CG PHE A 19 -5.512 7.042 4.128 1.00 0.00 C ATOM 299 CD1 PHE A 19 -6.030 5.789 4.024 1.00 0.00 C ATOM 300 CD2 PHE A 19 -6.329 8.125 4.040 1.00 0.00 C ATOM 301 CE1 PHE A 19 -7.423 5.611 3.824 1.00 0.00 C ATOM 302 CE2 PHE A 19 -7.724 7.947 3.838 1.00 0.00 C ATOM 303 CZ PHE A 19 -8.242 6.694 3.734 1.00 0.00 C ATOM 0 H PHE A 19 -3.669 8.247 6.540 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.951 5.476 5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.808 8.292 4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.482 6.946 3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.380 4.929 4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.918 9.120 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.834 4.615 3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.373 8.807 3.767 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.302 6.559 3.580 1.00 0.00 H new ATOM 313 N TYR A 20 -1.563 4.924 5.566 1.00 0.00 N ATOM 314 CA TYR A 20 -0.181 4.516 5.374 1.00 0.00 C ATOM 315 C TYR A 20 -0.104 3.134 4.723 1.00 0.00 C ATOM 316 O TYR A 20 -0.965 2.285 4.956 1.00 0.00 O ATOM 317 CB TYR A 20 0.436 4.444 6.771 1.00 0.00 C ATOM 318 CG TYR A 20 1.966 4.466 6.776 1.00 0.00 C ATOM 319 CD1 TYR A 20 2.641 5.628 6.463 1.00 0.00 C ATOM 320 CD2 TYR A 20 2.670 3.323 7.096 1.00 0.00 C ATOM 321 CE1 TYR A 20 4.080 5.647 6.468 1.00 0.00 C ATOM 322 CE2 TYR A 20 4.111 3.343 7.103 1.00 0.00 C ATOM 323 CZ TYR A 20 4.745 4.505 6.789 1.00 0.00 C ATOM 324 OH TYR A 20 6.104 4.524 6.794 1.00 0.00 O ATOM 0 H TYR A 20 -2.173 4.199 5.944 1.00 0.00 H new ATOM 0 HA TYR A 20 0.340 5.219 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.069 5.282 7.363 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.094 3.533 7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.090 6.523 6.214 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.141 2.414 7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.620 6.549 6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.675 2.456 7.352 1.00 0.00 H new ATOM 0 HH TYR A 20 6.443 3.639 7.043 1.00 0.00 H new ATOM 334 N GLY A 21 0.933 2.950 3.920 1.00 0.00 N ATOM 335 CA GLY A 21 1.135 1.683 3.234 1.00 0.00 C ATOM 336 C GLY A 21 2.523 1.621 2.597 1.00 0.00 C ATOM 337 O GLY A 21 3.236 2.623 2.549 1.00 0.00 O ATOM 0 H GLY A 21 1.643 3.657 3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.018 0.860 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.372 1.555 2.466 1.00 0.00 H new ATOM 341 N GLY A 22 2.868 0.433 2.122 1.00 0.00 N ATOM 342 CA GLY A 22 4.160 0.225 1.490 1.00 0.00 C ATOM 343 C GLY A 22 4.299 -1.213 0.987 1.00 0.00 C ATOM 344 O GLY A 22 3.537 -2.091 1.389 1.00 0.00 O ATOM 0 H GLY A 22 2.275 -0.396 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.277 0.918 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.956 0.444 2.201 1.00 0.00 H new ATOM 348 N TYR A 23 5.278 -1.409 0.115 1.00 0.00 N ATOM 349 CA TYR A 23 5.528 -2.726 -0.447 1.00 0.00 C ATOM 350 C TYR A 23 6.743 -3.381 0.211 1.00 0.00 C ATOM 351 O TYR A 23 7.781 -2.743 0.381 1.00 0.00 O ATOM 352 CB TYR A 23 5.823 -2.502 -1.931 1.00 0.00 C ATOM 353 CG TYR A 23 7.244 -2.005 -2.213 1.00 0.00 C ATOM 354 CD1 TYR A 23 7.523 -0.654 -2.166 1.00 0.00 C ATOM 355 CD2 TYR A 23 8.243 -2.907 -2.515 1.00 0.00 C ATOM 356 CE1 TYR A 23 8.859 -0.186 -2.433 1.00 0.00 C ATOM 357 CE2 TYR A 23 9.579 -2.439 -2.781 1.00 0.00 C ATOM 358 CZ TYR A 23 9.822 -1.101 -2.726 1.00 0.00 C ATOM 359 OH TYR A 23 11.082 -0.660 -2.978 1.00 0.00 O ATOM 0 H TYR A 23 5.907 -0.678 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 23 4.672 -3.381 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.662 -3.437 -2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.110 -1.779 -2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.740 0.052 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.023 -3.964 -2.552 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.091 0.868 -2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.370 -3.134 -3.019 1.00 0.00 H new ATOM 0 HH TYR A 23 11.664 -1.425 -3.171 1.00 0.00 H new ATOM 369 N THR A 24 6.575 -4.648 0.563 1.00 0.00 N ATOM 370 CA THR A 24 7.645 -5.396 1.199 1.00 0.00 C ATOM 371 C THR A 24 7.313 -6.891 1.218 1.00 0.00 C ATOM 372 O THR A 24 6.260 -7.300 0.734 1.00 0.00 O ATOM 373 CB THR A 24 7.873 -4.807 2.592 1.00 0.00 C ATOM 374 OG1 THR A 24 9.242 -5.090 2.870 1.00 0.00 O ATOM 375 CG2 THR A 24 7.108 -5.564 3.680 1.00 0.00 C ATOM 0 H THR A 24 5.713 -5.175 0.419 1.00 0.00 H new ATOM 0 HA THR A 24 8.575 -5.308 0.638 1.00 0.00 H new ATOM 0 HB THR A 24 7.570 -3.760 2.597 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.475 -4.740 3.755 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.305 -5.105 4.649 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.039 -5.523 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.434 -6.604 3.698 1.00 0.00 H new ATOM 383 N THR A 25 8.231 -7.661 1.782 1.00 0.00 N ATOM 384 CA THR A 25 8.048 -9.099 1.870 1.00 0.00 C ATOM 385 C THR A 25 7.913 -9.531 3.332 1.00 0.00 C ATOM 386 O THR A 25 8.720 -9.144 4.176 1.00 0.00 O ATOM 387 CB THR A 25 9.218 -9.770 1.146 1.00 0.00 C ATOM 388 OG1 THR A 25 10.144 -10.070 2.186 1.00 0.00 O ATOM 389 CG2 THR A 25 9.978 -8.800 0.238 1.00 0.00 C ATOM 0 H THR A 25 9.103 -7.316 2.182 1.00 0.00 H new ATOM 0 HA THR A 25 7.123 -9.410 1.384 1.00 0.00 H new ATOM 0 HB THR A 25 8.847 -10.606 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.933 -10.509 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.797 -9.326 -0.252 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.300 -8.401 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.378 -7.981 0.835 1.00 0.00 H new ATOM 397 N GLU A 26 6.884 -10.327 3.586 1.00 0.00 N ATOM 398 CA GLU A 26 6.632 -10.815 4.932 1.00 0.00 C ATOM 399 C GLU A 26 6.129 -9.678 5.823 1.00 0.00 C ATOM 400 O GLU A 26 6.825 -9.251 6.744 1.00 0.00 O ATOM 401 CB GLU A 26 7.884 -11.463 5.525 1.00 0.00 C ATOM 402 CG GLU A 26 7.737 -12.984 5.590 1.00 0.00 C ATOM 403 CD GLU A 26 7.758 -13.475 7.040 1.00 0.00 C ATOM 404 OE1 GLU A 26 8.828 -13.335 7.670 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.704 -13.980 7.483 1.00 0.00 O ATOM 0 H GLU A 26 6.216 -10.646 2.884 1.00 0.00 H new ATOM 0 HA GLU A 26 5.858 -11.580 4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.753 -11.204 4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.063 -11.068 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.803 -13.283 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.545 -13.455 5.031 1.00 0.00 H new ATOM 412 N PRO A 27 4.892 -9.207 5.512 1.00 0.00 N ATOM 413 CA PRO A 27 4.288 -8.128 6.273 1.00 0.00 C ATOM 414 C PRO A 27 3.792 -8.626 7.633 1.00 0.00 C ATOM 415 O PRO A 27 3.734 -7.861 8.594 1.00 0.00 O ATOM 416 CB PRO A 27 3.169 -7.600 5.390 1.00 0.00 C ATOM 417 CG PRO A 27 2.887 -8.696 4.376 1.00 0.00 C ATOM 418 CD PRO A 27 4.040 -9.687 4.427 1.00 0.00 C ATOM 0 HA PRO A 27 4.997 -7.335 6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.280 -7.374 5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.466 -6.676 4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.945 -9.194 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.790 -8.275 3.375 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.684 -10.699 4.621 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.581 -9.715 3.481 1.00 0.00 H new ATOM 426 N GLU A 28 3.448 -9.905 7.668 1.00 0.00 N ATOM 427 CA GLU A 28 2.958 -10.515 8.893 1.00 0.00 C ATOM 428 C GLU A 28 3.968 -10.316 10.024 1.00 0.00 C ATOM 429 O GLU A 28 3.601 -9.898 11.121 1.00 0.00 O ATOM 430 CB GLU A 28 2.656 -12.000 8.682 1.00 0.00 C ATOM 431 CG GLU A 28 1.389 -12.189 7.847 1.00 0.00 C ATOM 432 CD GLU A 28 0.209 -12.608 8.728 1.00 0.00 C ATOM 433 OE1 GLU A 28 -0.086 -11.851 9.678 1.00 0.00 O ATOM 434 OE2 GLU A 28 -0.370 -13.676 8.431 1.00 0.00 O ATOM 0 H GLU A 28 3.499 -10.536 6.868 1.00 0.00 H new ATOM 0 HA GLU A 28 2.026 -10.025 9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.499 -12.479 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.536 -12.491 9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.149 -11.261 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.563 -12.946 7.082 1.00 0.00 H new ATOM 441 N ARG A 29 5.221 -10.622 9.718 1.00 0.00 N ATOM 442 CA ARG A 29 6.286 -10.483 10.697 1.00 0.00 C ATOM 443 C ARG A 29 6.643 -9.006 10.884 1.00 0.00 C ATOM 444 O ARG A 29 6.723 -8.522 12.012 1.00 0.00 O ATOM 445 CB ARG A 29 7.535 -11.252 10.263 1.00 0.00 C ATOM 446 CG ARG A 29 7.571 -12.643 10.899 1.00 0.00 C ATOM 447 CD ARG A 29 6.615 -13.599 10.182 1.00 0.00 C ATOM 448 NE ARG A 29 5.707 -14.235 11.160 1.00 0.00 N ATOM 449 CZ ARG A 29 5.039 -15.375 10.933 1.00 0.00 C ATOM 450 NH1 ARG A 29 5.173 -16.009 9.760 1.00 0.00 N ATOM 451 NH2 ARG A 29 4.236 -15.880 11.881 1.00 0.00 N ATOM 0 H ARG A 29 5.522 -10.966 8.806 1.00 0.00 H new ATOM 0 HA ARG A 29 5.928 -10.897 11.640 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.551 -11.344 9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.427 -10.695 10.548 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.586 -13.039 10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.298 -12.572 11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.036 -13.055 9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.182 -14.363 9.650 1.00 0.00 H new ATOM 0 HE ARG A 29 5.581 -13.778 12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.784 -15.624 9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.664 -16.876 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.134 -15.397 12.773 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.727 -16.747 11.710 1.00 0.00 H new ATOM 465 N ARG A 30 6.848 -8.334 9.762 1.00 0.00 N ATOM 466 CA ARG A 30 7.195 -6.922 9.788 1.00 0.00 C ATOM 467 C ARG A 30 6.163 -6.138 10.602 1.00 0.00 C ATOM 468 O ARG A 30 6.505 -5.167 11.275 1.00 0.00 O ATOM 469 CB ARG A 30 7.266 -6.345 8.374 1.00 0.00 C ATOM 470 CG ARG A 30 7.766 -4.901 8.395 1.00 0.00 C ATOM 471 CD ARG A 30 6.705 -3.944 7.847 1.00 0.00 C ATOM 472 NE ARG A 30 7.353 -2.842 7.100 1.00 0.00 N ATOM 473 CZ ARG A 30 7.892 -1.759 7.678 1.00 0.00 C ATOM 474 NH1 ARG A 30 7.863 -1.625 9.010 1.00 0.00 N ATOM 475 NH2 ARG A 30 8.459 -0.810 6.921 1.00 0.00 N ATOM 0 H ARG A 30 6.781 -8.740 8.829 1.00 0.00 H new ATOM 0 HA ARG A 30 8.176 -6.830 10.253 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.931 -6.955 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.280 -6.385 7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.025 -4.617 9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.676 -4.819 7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.020 -4.484 7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.111 -3.539 8.666 1.00 0.00 H new ATOM 0 HE ARG A 30 7.392 -2.911 6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.431 -2.347 9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.273 -0.801 9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.480 -0.912 5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.869 0.014 7.359 1.00 0.00 H new ATOM 489 N LEU A 31 4.919 -6.587 10.510 1.00 0.00 N ATOM 490 CA LEU A 31 3.835 -5.938 11.228 1.00 0.00 C ATOM 491 C LEU A 31 3.955 -6.257 12.720 1.00 0.00 C ATOM 492 O LEU A 31 4.129 -5.354 13.538 1.00 0.00 O ATOM 493 CB LEU A 31 2.484 -6.328 10.624 1.00 0.00 C ATOM 494 CG LEU A 31 1.252 -5.997 11.468 1.00 0.00 C ATOM 495 CD1 LEU A 31 1.194 -4.503 11.791 1.00 0.00 C ATOM 496 CD2 LEU A 31 -0.027 -6.484 10.784 1.00 0.00 C ATOM 0 H LEU A 31 4.638 -7.392 9.950 1.00 0.00 H new ATOM 0 HA LEU A 31 3.905 -4.855 11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.383 -5.832 9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.491 -7.401 10.431 1.00 0.00 H new ATOM 0 HG LEU A 31 1.334 -6.529 12.416 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.309 -4.295 12.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.086 -4.216 12.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.146 -3.932 10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.888 -6.236 11.404 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.128 -5.999 9.813 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.023 -7.564 10.646 1.00 0.00 H new ATOM 508 N THR A 32 3.858 -7.542 13.029 1.00 0.00 N ATOM 509 CA THR A 32 3.953 -7.989 14.407 1.00 0.00 C ATOM 510 C THR A 32 5.162 -7.351 15.093 1.00 0.00 C ATOM 511 O THR A 32 5.026 -6.716 16.138 1.00 0.00 O ATOM 512 CB THR A 32 3.993 -9.519 14.406 1.00 0.00 C ATOM 513 OG1 THR A 32 2.635 -9.901 14.205 1.00 0.00 O ATOM 514 CG2 THR A 32 4.342 -10.097 15.778 1.00 0.00 C ATOM 0 H THR A 32 3.715 -8.287 12.348 1.00 0.00 H new ATOM 0 HA THR A 32 3.086 -7.672 14.986 1.00 0.00 H new ATOM 0 HB THR A 32 4.722 -9.862 13.672 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.569 -10.879 14.189 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.357 -11.185 15.721 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.323 -9.736 16.086 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.595 -9.782 16.506 1.00 0.00 H new ATOM 522 N GLU A 33 6.321 -7.541 14.478 1.00 0.00 N ATOM 523 CA GLU A 33 7.553 -6.992 15.014 1.00 0.00 C ATOM 524 C GLU A 33 7.317 -5.576 15.546 1.00 0.00 C ATOM 525 O GLU A 33 7.511 -5.313 16.731 1.00 0.00 O ATOM 526 CB GLU A 33 8.664 -7.005 13.962 1.00 0.00 C ATOM 527 CG GLU A 33 9.589 -8.209 14.156 1.00 0.00 C ATOM 528 CD GLU A 33 11.041 -7.762 14.337 1.00 0.00 C ATOM 529 OE1 GLU A 33 11.257 -6.862 15.177 1.00 0.00 O ATOM 530 OE2 GLU A 33 11.901 -8.331 13.632 1.00 0.00 O ATOM 0 H GLU A 33 6.431 -8.069 13.612 1.00 0.00 H new ATOM 0 HA GLU A 33 7.877 -7.621 15.843 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.225 -7.036 12.965 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.242 -6.083 14.027 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.270 -8.781 15.027 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.514 -8.872 13.294 1.00 0.00 H new ATOM 537 N HIS A 34 6.902 -4.702 14.640 1.00 0.00 N ATOM 538 CA HIS A 34 6.637 -3.320 15.002 1.00 0.00 C ATOM 539 C HIS A 34 5.870 -3.274 16.325 1.00 0.00 C ATOM 540 O HIS A 34 6.309 -2.633 17.279 1.00 0.00 O ATOM 541 CB HIS A 34 5.910 -2.592 13.869 1.00 0.00 C ATOM 542 CG HIS A 34 5.497 -1.180 14.212 1.00 0.00 C ATOM 543 ND1 HIS A 34 4.176 -0.771 14.242 1.00 0.00 N ATOM 544 CD2 HIS A 34 6.245 -0.087 14.541 1.00 0.00 C ATOM 545 CE1 HIS A 34 4.142 0.511 14.574 1.00 0.00 C ATOM 546 NE2 HIS A 34 5.425 0.933 14.757 1.00 0.00 N ATOM 0 H HIS A 34 6.743 -4.924 13.657 1.00 0.00 H new ATOM 0 HA HIS A 34 7.579 -2.792 15.150 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.557 -2.568 12.992 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.023 -3.163 13.594 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.322 -0.058 14.613 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.254 1.116 14.681 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.708 1.878 15.017 1.00 0.00 H new ATOM 554 N ASN A 35 4.738 -3.961 16.340 1.00 0.00 N ATOM 555 CA ASN A 35 3.906 -4.006 17.531 1.00 0.00 C ATOM 556 C ASN A 35 4.762 -4.420 18.730 1.00 0.00 C ATOM 557 O ASN A 35 4.765 -3.744 19.757 1.00 0.00 O ATOM 558 CB ASN A 35 2.780 -5.030 17.376 1.00 0.00 C ATOM 559 CG ASN A 35 1.410 -4.362 17.502 1.00 0.00 C ATOM 560 OD1 ASN A 35 0.936 -4.057 18.584 1.00 0.00 O ATOM 561 ND2 ASN A 35 0.801 -4.152 16.339 1.00 0.00 N ATOM 0 H ASN A 35 4.377 -4.491 15.547 1.00 0.00 H new ATOM 0 HA ASN A 35 3.475 -3.016 17.680 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.861 -5.521 16.406 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.882 -5.805 18.135 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.119 -3.711 16.317 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.253 -4.432 15.469 1.00 0.00 H new ATOM 568 N SER A 36 5.464 -5.531 18.559 1.00 0.00 N ATOM 569 CA SER A 36 6.321 -6.043 19.615 1.00 0.00 C ATOM 570 C SER A 36 7.739 -5.492 19.453 1.00 0.00 C ATOM 571 O SER A 36 8.715 -6.223 19.611 1.00 0.00 O ATOM 572 CB SER A 36 6.343 -7.573 19.613 1.00 0.00 C ATOM 573 OG SER A 36 5.980 -8.114 20.881 1.00 0.00 O ATOM 0 H SER A 36 5.457 -6.090 17.706 1.00 0.00 H new ATOM 0 HA SER A 36 5.917 -5.713 20.572 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.658 -7.944 18.851 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.340 -7.921 19.342 1.00 0.00 H new ATOM 0 HG SER A 36 6.004 -9.093 20.838 1.00 0.00 H new ATOM 579 N GLY A 37 7.807 -4.207 19.136 1.00 0.00 N ATOM 580 CA GLY A 37 9.090 -3.550 18.950 1.00 0.00 C ATOM 581 C GLY A 37 9.565 -2.896 20.249 1.00 0.00 C ATOM 582 O GLY A 37 9.746 -3.574 21.259 1.00 0.00 O ATOM 0 H GLY A 37 6.995 -3.604 19.003 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.829 -4.277 18.613 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.006 -2.795 18.168 1.00 0.00 H new ATOM 586 N THR A 38 9.754 -1.586 20.180 1.00 0.00 N ATOM 587 CA THR A 38 10.205 -0.833 21.337 1.00 0.00 C ATOM 588 C THR A 38 9.154 -0.884 22.449 1.00 0.00 C ATOM 589 O THR A 38 8.006 -1.253 22.206 1.00 0.00 O ATOM 590 CB THR A 38 10.536 0.588 20.879 1.00 0.00 C ATOM 591 OG1 THR A 38 11.090 1.207 22.035 1.00 0.00 O ATOM 592 CG2 THR A 38 9.282 1.414 20.579 1.00 0.00 C ATOM 0 H THR A 38 9.603 -1.027 19.340 1.00 0.00 H new ATOM 0 HA THR A 38 11.108 -1.269 21.765 1.00 0.00 H new ATOM 0 HB THR A 38 11.164 0.544 19.989 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.334 2.133 21.825 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.573 2.414 20.258 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.709 0.931 19.787 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.670 1.485 21.478 1.00 0.00 H new ATOM 600 N GLY A 39 9.585 -0.508 23.645 1.00 0.00 N ATOM 601 CA GLY A 39 8.695 -0.506 24.794 1.00 0.00 C ATOM 602 C GLY A 39 9.032 0.644 25.745 1.00 0.00 C ATOM 603 O GLY A 39 9.896 0.506 26.610 1.00 0.00 O ATOM 0 H GLY A 39 10.538 -0.203 23.843 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.662 -0.415 24.458 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.776 -1.456 25.323 1.00 0.00 H new ATOM 607 N ALA A 40 8.331 1.752 25.553 1.00 0.00 N ATOM 608 CA ALA A 40 8.545 2.925 26.384 1.00 0.00 C ATOM 609 C ALA A 40 7.192 3.533 26.759 1.00 0.00 C ATOM 610 O ALA A 40 6.928 3.792 27.933 1.00 0.00 O ATOM 611 CB ALA A 40 9.444 3.918 25.644 1.00 0.00 C ATOM 0 H ALA A 40 7.615 1.862 24.835 1.00 0.00 H new ATOM 0 HA ALA A 40 9.052 2.652 27.309 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.605 4.798 26.267 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.403 3.448 25.426 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.966 4.217 24.711 1.00 0.00 H new ATOM 617 N LYS A 41 6.371 3.741 25.741 1.00 0.00 N ATOM 618 CA LYS A 41 5.051 4.313 25.949 1.00 0.00 C ATOM 619 C LYS A 41 4.283 3.459 26.961 1.00 0.00 C ATOM 620 O LYS A 41 4.835 2.520 27.531 1.00 0.00 O ATOM 621 CB LYS A 41 4.324 4.486 24.614 1.00 0.00 C ATOM 622 CG LYS A 41 3.527 5.792 24.589 1.00 0.00 C ATOM 623 CD LYS A 41 2.178 5.597 23.895 1.00 0.00 C ATOM 624 CE LYS A 41 1.862 6.774 22.969 1.00 0.00 C ATOM 625 NZ LYS A 41 0.538 7.348 23.295 1.00 0.00 N ATOM 0 H LYS A 41 6.594 3.524 24.770 1.00 0.00 H new ATOM 0 HA LYS A 41 5.133 5.314 26.372 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.047 4.482 23.799 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.653 3.643 24.449 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.368 6.145 25.608 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.099 6.562 24.071 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.191 4.671 23.320 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.391 5.497 24.643 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.631 7.540 23.069 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.875 6.442 21.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.339 8.145 22.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.195 6.619 23.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.538 7.683 24.279 1.00 0.00 H new ATOM 639 N TYR A 42 3.021 3.814 27.151 1.00 0.00 N ATOM 640 CA TYR A 42 2.173 3.090 28.082 1.00 0.00 C ATOM 641 C TYR A 42 2.145 1.597 27.753 1.00 0.00 C ATOM 642 O TYR A 42 2.919 1.126 26.924 1.00 0.00 O ATOM 643 CB TYR A 42 0.766 3.666 27.905 1.00 0.00 C ATOM 644 CG TYR A 42 0.611 5.099 28.420 1.00 0.00 C ATOM 645 CD1 TYR A 42 0.567 5.344 29.777 1.00 0.00 C ATOM 646 CD2 TYR A 42 0.514 6.147 27.527 1.00 0.00 C ATOM 647 CE1 TYR A 42 0.421 6.692 30.262 1.00 0.00 C ATOM 648 CE2 TYR A 42 0.368 7.495 28.011 1.00 0.00 C ATOM 649 CZ TYR A 42 0.328 7.701 29.355 1.00 0.00 C ATOM 650 OH TYR A 42 0.190 8.974 29.812 1.00 0.00 O ATOM 0 H TYR A 42 2.565 4.593 26.676 1.00 0.00 H new ATOM 0 HA TYR A 42 2.544 3.197 29.101 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.505 3.641 26.847 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.054 3.025 28.425 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.642 4.524 30.476 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.548 5.956 26.465 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.386 6.897 31.322 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.292 8.324 27.323 1.00 0.00 H new ATOM 0 HH TYR A 42 0.137 9.590 29.052 1.00 0.00 H new ATOM 660 N THR A 43 1.241 0.893 28.421 1.00 0.00 N ATOM 661 CA THR A 43 1.103 -0.537 28.209 1.00 0.00 C ATOM 662 C THR A 43 0.079 -1.122 29.185 1.00 0.00 C ATOM 663 O THR A 43 -0.648 -2.054 28.842 1.00 0.00 O ATOM 664 CB THR A 43 2.490 -1.171 28.332 1.00 0.00 C ATOM 665 OG1 THR A 43 2.221 -2.542 28.613 1.00 0.00 O ATOM 666 CG2 THR A 43 3.251 -0.679 29.565 1.00 0.00 C ATOM 0 H THR A 43 0.598 1.287 29.108 1.00 0.00 H new ATOM 0 HA THR A 43 0.719 -0.754 27.212 1.00 0.00 H new ATOM 0 HB THR A 43 3.071 -0.951 27.436 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.066 -3.029 28.707 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.229 -1.160 29.605 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.380 0.402 29.506 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.687 -0.928 30.464 1.00 0.00 H new ATOM 674 N ARG A 44 0.054 -0.553 30.382 1.00 0.00 N ATOM 675 CA ARG A 44 -0.867 -1.007 31.408 1.00 0.00 C ATOM 676 C ARG A 44 -2.310 -0.909 30.907 1.00 0.00 C ATOM 677 O ARG A 44 -3.202 -1.563 31.442 1.00 0.00 O ATOM 678 CB ARG A 44 -0.721 -0.178 32.685 1.00 0.00 C ATOM 679 CG ARG A 44 -0.967 1.306 32.406 1.00 0.00 C ATOM 680 CD ARG A 44 -2.025 1.875 33.354 1.00 0.00 C ATOM 681 NE ARG A 44 -2.961 2.742 32.606 1.00 0.00 N ATOM 682 CZ ARG A 44 -2.615 3.902 32.030 1.00 0.00 C ATOM 683 NH1 ARG A 44 -1.351 4.339 32.114 1.00 0.00 N ATOM 684 NH2 ARG A 44 -3.532 4.622 31.372 1.00 0.00 N ATOM 0 H ARG A 44 0.658 0.219 30.663 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.626 -2.046 31.633 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.427 -0.533 33.436 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.278 -0.313 33.098 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.035 1.860 32.520 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.291 1.437 31.373 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.572 1.062 33.832 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.544 2.445 34.149 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.931 2.438 32.523 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.654 3.789 32.616 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.086 5.221 31.676 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.494 4.288 31.309 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.269 5.505 30.934 1.00 0.00 H new ATOM 698 N LEU A 45 -2.493 -0.086 29.885 1.00 0.00 N ATOM 699 CA LEU A 45 -3.812 0.108 29.305 1.00 0.00 C ATOM 700 C LEU A 45 -3.831 -0.472 27.890 1.00 0.00 C ATOM 701 O LEU A 45 -4.899 -0.661 27.306 1.00 0.00 O ATOM 702 CB LEU A 45 -4.216 1.580 29.372 1.00 0.00 C ATOM 703 CG LEU A 45 -3.740 2.460 28.214 1.00 0.00 C ATOM 704 CD1 LEU A 45 -2.223 2.371 28.045 1.00 0.00 C ATOM 705 CD2 LEU A 45 -4.483 2.115 26.922 1.00 0.00 C ATOM 0 H LEU A 45 -1.750 0.455 29.443 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.565 -0.430 29.881 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.303 1.636 29.421 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.833 1.999 30.302 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.976 3.497 28.454 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.911 3.006 27.215 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.735 2.705 28.961 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.940 1.339 27.838 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.126 2.755 26.115 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.301 1.071 26.665 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.552 2.273 27.064 1.00 0.00 H new ATOM 717 N ALA A 46 -2.639 -0.741 27.377 1.00 0.00 N ATOM 718 CA ALA A 46 -2.506 -1.293 26.041 1.00 0.00 C ATOM 719 C ALA A 46 -3.403 -0.513 25.077 1.00 0.00 C ATOM 720 O ALA A 46 -4.583 -0.826 24.931 1.00 0.00 O ATOM 721 CB ALA A 46 -2.842 -2.785 26.070 1.00 0.00 C ATOM 0 H ALA A 46 -1.756 -0.586 27.864 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.480 -1.195 25.687 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.742 -3.200 25.067 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.158 -3.299 26.745 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.866 -2.921 26.419 1.00 0.00 H new ATOM 727 N LYS A 47 -2.808 0.489 24.446 1.00 0.00 N ATOM 728 CA LYS A 47 -3.538 1.318 23.502 1.00 0.00 C ATOM 729 C LYS A 47 -4.087 0.438 22.378 1.00 0.00 C ATOM 730 O LYS A 47 -5.301 0.318 22.214 1.00 0.00 O ATOM 731 CB LYS A 47 -2.659 2.469 23.009 1.00 0.00 C ATOM 732 CG LYS A 47 -3.511 3.675 22.605 1.00 0.00 C ATOM 733 CD LYS A 47 -2.855 4.983 23.052 1.00 0.00 C ATOM 734 CE LYS A 47 -3.905 6.072 23.282 1.00 0.00 C ATOM 735 NZ LYS A 47 -4.032 6.373 24.725 1.00 0.00 N ATOM 0 H LYS A 47 -1.829 0.745 24.570 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.394 1.787 23.988 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.960 2.759 23.793 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.064 2.138 22.158 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.647 3.683 21.524 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.502 3.590 23.050 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.292 4.816 23.970 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.142 5.314 22.296 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.626 6.975 22.739 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.867 5.747 22.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.749 7.114 24.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.320 5.513 25.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.117 6.703 25.093 1.00 0.00 H new ATOM 749 N ARG A 48 -3.168 -0.157 21.630 1.00 0.00 N ATOM 750 CA ARG A 48 -3.546 -1.021 20.527 1.00 0.00 C ATOM 751 C ARG A 48 -4.339 -0.233 19.482 1.00 0.00 C ATOM 752 O ARG A 48 -5.403 0.306 19.781 1.00 0.00 O ATOM 753 CB ARG A 48 -4.389 -2.201 21.015 1.00 0.00 C ATOM 754 CG ARG A 48 -3.533 -3.458 21.178 1.00 0.00 C ATOM 755 CD ARG A 48 -3.939 -4.238 22.430 1.00 0.00 C ATOM 756 NE ARG A 48 -4.699 -5.449 22.045 1.00 0.00 N ATOM 757 CZ ARG A 48 -5.059 -6.415 22.903 1.00 0.00 C ATOM 758 NH1 ARG A 48 -4.729 -6.317 24.197 1.00 0.00 N ATOM 759 NH2 ARG A 48 -5.748 -7.477 22.465 1.00 0.00 N ATOM 0 H ARG A 48 -2.162 -0.057 21.768 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.630 -1.405 20.078 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.856 -1.949 21.967 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.194 -2.395 20.306 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.641 -4.093 20.299 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.481 -3.180 21.243 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.052 -4.520 22.997 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.546 -3.608 23.080 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.965 -5.555 21.066 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.204 -5.508 24.530 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.002 -7.051 24.850 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.999 -7.551 21.479 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.022 -8.212 23.117 1.00 0.00 H new ATOM 773 N ARG A 49 -3.789 -0.192 18.276 1.00 0.00 N ATOM 774 CA ARG A 49 -4.431 0.522 17.185 1.00 0.00 C ATOM 775 C ARG A 49 -4.840 -0.455 16.081 1.00 0.00 C ATOM 776 O ARG A 49 -4.059 -1.323 15.695 1.00 0.00 O ATOM 777 CB ARG A 49 -3.501 1.584 16.600 1.00 0.00 C ATOM 778 CG ARG A 49 -2.176 0.966 16.151 1.00 0.00 C ATOM 779 CD ARG A 49 -1.020 1.448 17.031 1.00 0.00 C ATOM 780 NE ARG A 49 0.050 0.426 17.064 1.00 0.00 N ATOM 781 CZ ARG A 49 1.252 0.616 17.626 1.00 0.00 C ATOM 782 NH1 ARG A 49 1.543 1.788 18.205 1.00 0.00 N ATOM 783 NH2 ARG A 49 2.163 -0.367 17.608 1.00 0.00 N ATOM 0 H ARG A 49 -2.907 -0.641 18.031 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.317 1.014 17.585 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.985 2.070 15.753 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.312 2.357 17.345 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.244 -0.121 16.196 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.981 1.230 15.112 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.625 2.388 16.645 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.378 1.644 18.042 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.139 -0.479 16.632 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.850 2.536 18.218 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.458 1.932 18.633 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.942 -1.260 17.167 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.078 -0.223 18.036 1.00 0.00 H new ATOM 797 N PRO A 50 -6.095 -0.276 15.590 1.00 0.00 N ATOM 798 CA PRO A 50 -6.617 -1.130 14.537 1.00 0.00 C ATOM 799 C PRO A 50 -5.999 -0.772 13.184 1.00 0.00 C ATOM 800 O PRO A 50 -5.697 0.391 12.923 1.00 0.00 O ATOM 801 CB PRO A 50 -8.123 -0.929 14.575 1.00 0.00 C ATOM 802 CG PRO A 50 -8.349 0.373 15.328 1.00 0.00 C ATOM 803 CD PRO A 50 -7.049 0.742 16.022 1.00 0.00 C ATOM 0 HA PRO A 50 -6.366 -2.180 14.685 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.536 -0.875 13.568 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.616 -1.762 15.077 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.653 1.163 14.641 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.151 0.258 16.057 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.718 1.741 15.737 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.165 0.741 17.106 1.00 0.00 H new ATOM 811 N VAL A 51 -5.828 -1.794 12.358 1.00 0.00 N ATOM 812 CA VAL A 51 -5.251 -1.602 11.037 1.00 0.00 C ATOM 813 C VAL A 51 -6.154 -2.259 9.992 1.00 0.00 C ATOM 814 O VAL A 51 -6.243 -3.485 9.925 1.00 0.00 O ATOM 815 CB VAL A 51 -3.818 -2.134 11.011 1.00 0.00 C ATOM 816 CG1 VAL A 51 -3.013 -1.604 12.199 1.00 0.00 C ATOM 817 CG2 VAL A 51 -3.802 -3.664 10.976 1.00 0.00 C ATOM 0 H VAL A 51 -6.079 -2.758 12.578 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.193 -0.541 10.794 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.344 -1.773 10.099 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.998 -1.998 12.155 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.981 -0.515 12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.486 -1.920 13.129 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.771 -4.017 10.958 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.303 -4.053 11.862 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.320 -4.013 10.083 1.00 0.00 H new ATOM 827 N ILE A 52 -6.800 -1.416 9.199 1.00 0.00 N ATOM 828 CA ILE A 52 -7.692 -1.899 8.160 1.00 0.00 C ATOM 829 C ILE A 52 -7.045 -1.670 6.793 1.00 0.00 C ATOM 830 O ILE A 52 -6.408 -0.642 6.567 1.00 0.00 O ATOM 831 CB ILE A 52 -9.075 -1.261 8.301 1.00 0.00 C ATOM 832 CG1 ILE A 52 -9.075 0.174 7.769 1.00 0.00 C ATOM 833 CG2 ILE A 52 -9.568 -1.335 9.747 1.00 0.00 C ATOM 834 CD1 ILE A 52 -10.502 0.681 7.558 1.00 0.00 C ATOM 0 H ILE A 52 -6.723 -0.401 9.256 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.851 -2.972 8.263 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.777 -1.830 7.691 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.554 0.826 8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.527 0.216 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.553 -0.874 9.820 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.631 -2.378 10.057 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.871 -0.805 10.397 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.473 1.703 7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -11.012 0.042 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.039 0.660 8.506 1.00 0.00 H new ATOM 846 N MET A 53 -7.232 -2.645 5.915 1.00 0.00 N ATOM 847 CA MET A 53 -6.675 -2.562 4.575 1.00 0.00 C ATOM 848 C MET A 53 -7.775 -2.322 3.538 1.00 0.00 C ATOM 849 O MET A 53 -8.646 -3.169 3.346 1.00 0.00 O ATOM 850 CB MET A 53 -5.938 -3.862 4.248 1.00 0.00 C ATOM 851 CG MET A 53 -4.426 -3.692 4.415 1.00 0.00 C ATOM 852 SD MET A 53 -3.627 -5.287 4.390 1.00 0.00 S ATOM 853 CE MET A 53 -2.781 -5.236 5.961 1.00 0.00 C ATOM 0 H MET A 53 -7.761 -3.496 6.105 1.00 0.00 H new ATOM 0 HA MET A 53 -5.981 -1.722 4.541 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.292 -4.659 4.901 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.163 -4.164 3.225 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.031 -3.066 3.615 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.210 -3.183 5.354 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.927 -5.912 5.936 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.435 -4.221 6.155 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.464 -5.544 6.752 1.00 0.00 H new ATOM 863 N ILE A 54 -7.697 -1.166 2.896 1.00 0.00 N ATOM 864 CA ILE A 54 -8.675 -0.805 1.883 1.00 0.00 C ATOM 865 C ILE A 54 -8.041 -0.943 0.498 1.00 0.00 C ATOM 866 O ILE A 54 -8.742 -0.933 -0.513 1.00 0.00 O ATOM 867 CB ILE A 54 -9.246 0.586 2.162 1.00 0.00 C ATOM 868 CG1 ILE A 54 -8.351 1.677 1.568 1.00 0.00 C ATOM 869 CG2 ILE A 54 -9.483 0.792 3.659 1.00 0.00 C ATOM 870 CD1 ILE A 54 -7.002 1.730 2.289 1.00 0.00 C ATOM 0 H ILE A 54 -6.972 -0.467 3.057 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.526 -1.486 1.914 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.215 0.661 1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.193 1.485 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.848 2.644 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.889 1.789 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.190 0.046 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.539 0.688 4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.385 2.513 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.162 1.946 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.497 0.769 2.187 1.00 0.00 H new ATOM 882 N HIS A 55 -6.722 -1.068 0.495 1.00 0.00 N ATOM 883 CA HIS A 55 -5.986 -1.209 -0.751 1.00 0.00 C ATOM 884 C HIS A 55 -5.247 -2.548 -0.762 1.00 0.00 C ATOM 885 O HIS A 55 -4.917 -3.087 0.293 1.00 0.00 O ATOM 886 CB HIS A 55 -5.054 -0.015 -0.969 1.00 0.00 C ATOM 887 CG HIS A 55 -5.774 1.303 -1.140 1.00 0.00 C ATOM 888 ND1 HIS A 55 -5.842 2.393 -0.324 1.00 0.00 N flip ATOM 889 CD2 HIS A 55 -6.531 1.603 -2.258 1.00 0.00 C flip ATOM 890 CE1 HIS A 55 -6.600 3.311 -0.911 1.00 0.00 C flip ATOM 891 NE2 HIS A 55 -7.028 2.822 -2.111 1.00 0.00 N flip ATOM 0 H HIS A 55 -6.144 -1.075 1.335 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.681 -1.211 -1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.374 0.062 -0.121 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.443 -0.201 -1.852 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.690 0.954 -3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.838 4.283 -0.506 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.626 3.310 -2.778 1.00 0.00 H new ATOM 899 N THR A 56 -5.008 -3.045 -1.967 1.00 0.00 N ATOM 900 CA THR A 56 -4.314 -4.311 -2.131 1.00 0.00 C ATOM 901 C THR A 56 -3.713 -4.413 -3.534 1.00 0.00 C ATOM 902 O THR A 56 -4.440 -4.561 -4.514 1.00 0.00 O ATOM 903 CB THR A 56 -5.299 -5.435 -1.807 1.00 0.00 C ATOM 904 OG1 THR A 56 -6.514 -5.021 -2.427 1.00 0.00 O ATOM 905 CG2 THR A 56 -5.644 -5.503 -0.319 1.00 0.00 C ATOM 0 H THR A 56 -5.283 -2.593 -2.839 1.00 0.00 H new ATOM 0 HA THR A 56 -3.470 -4.392 -1.445 1.00 0.00 H new ATOM 0 HB THR A 56 -4.877 -6.389 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.325 -4.695 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.346 -6.318 -0.145 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.736 -5.678 0.258 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.096 -4.562 -0.007 1.00 0.00 H new ATOM 913 N GLU A 57 -2.392 -4.329 -3.584 1.00 0.00 N ATOM 914 CA GLU A 57 -1.685 -4.411 -4.852 1.00 0.00 C ATOM 915 C GLU A 57 -0.575 -5.461 -4.774 1.00 0.00 C ATOM 916 O GLU A 57 -0.052 -5.737 -3.696 1.00 0.00 O ATOM 917 CB GLU A 57 -1.122 -3.046 -5.254 1.00 0.00 C ATOM 918 CG GLU A 57 -2.163 -2.228 -6.022 1.00 0.00 C ATOM 919 CD GLU A 57 -1.572 -1.670 -7.319 1.00 0.00 C ATOM 920 OE1 GLU A 57 -1.272 -2.495 -8.209 1.00 0.00 O ATOM 921 OE2 GLU A 57 -1.432 -0.429 -7.391 1.00 0.00 O ATOM 0 H GLU A 57 -1.792 -4.205 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.393 -4.717 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.811 -2.500 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.234 -3.182 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.026 -2.853 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.520 -1.408 -5.398 1.00 0.00 H new ATOM 928 N LYS A 58 -0.249 -6.016 -5.932 1.00 0.00 N ATOM 929 CA LYS A 58 0.790 -7.030 -6.009 1.00 0.00 C ATOM 930 C LYS A 58 1.816 -6.622 -7.067 1.00 0.00 C ATOM 931 O LYS A 58 1.454 -6.307 -8.200 1.00 0.00 O ATOM 932 CB LYS A 58 0.175 -8.411 -6.247 1.00 0.00 C ATOM 933 CG LYS A 58 -0.968 -8.679 -5.266 1.00 0.00 C ATOM 934 CD LYS A 58 -2.020 -9.600 -5.887 1.00 0.00 C ATOM 935 CE LYS A 58 -3.360 -8.878 -6.039 1.00 0.00 C ATOM 936 NZ LYS A 58 -4.304 -9.697 -6.833 1.00 0.00 N ATOM 0 H LYS A 58 -0.685 -5.783 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 58 1.322 -7.104 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.196 -8.476 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.941 -9.178 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.573 -9.133 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.431 -7.736 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.676 -9.945 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.148 -10.484 -5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.784 -8.675 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.207 -7.915 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.208 -9.192 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.905 -9.869 -7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.463 -10.606 -6.353 1.00 0.00 H new ATOM 950 N PHE A 59 3.077 -6.642 -6.661 1.00 0.00 N ATOM 951 CA PHE A 59 4.159 -6.280 -7.560 1.00 0.00 C ATOM 952 C PHE A 59 5.228 -7.372 -7.603 1.00 0.00 C ATOM 953 O PHE A 59 5.782 -7.745 -6.571 1.00 0.00 O ATOM 954 CB PHE A 59 4.784 -4.994 -7.012 1.00 0.00 C ATOM 955 CG PHE A 59 3.912 -3.750 -7.195 1.00 0.00 C ATOM 956 CD1 PHE A 59 3.296 -3.521 -8.385 1.00 0.00 C ATOM 957 CD2 PHE A 59 3.752 -2.874 -6.167 1.00 0.00 C ATOM 958 CE1 PHE A 59 2.486 -2.368 -8.555 1.00 0.00 C ATOM 959 CE2 PHE A 59 2.943 -1.721 -6.336 1.00 0.00 C ATOM 960 CZ PHE A 59 2.327 -1.491 -7.526 1.00 0.00 C ATOM 0 H PHE A 59 3.373 -6.903 -5.721 1.00 0.00 H new ATOM 0 HA PHE A 59 3.773 -6.148 -8.571 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.991 -5.127 -5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.742 -4.829 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.423 -4.217 -9.201 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.241 -3.056 -5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.996 -2.186 -9.500 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.816 -1.026 -5.519 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.712 -0.613 -7.655 1.00 0.00 H new ATOM 970 N GLU A 60 5.482 -7.861 -8.809 1.00 0.00 N ATOM 971 CA GLU A 60 6.474 -8.905 -9.001 1.00 0.00 C ATOM 972 C GLU A 60 7.860 -8.289 -9.208 1.00 0.00 C ATOM 973 O GLU A 60 8.867 -8.993 -9.168 1.00 0.00 O ATOM 974 CB GLU A 60 6.095 -9.811 -10.173 1.00 0.00 C ATOM 975 CG GLU A 60 5.742 -8.986 -11.413 1.00 0.00 C ATOM 976 CD GLU A 60 5.844 -9.833 -12.682 1.00 0.00 C ATOM 977 OE1 GLU A 60 6.891 -10.499 -12.837 1.00 0.00 O ATOM 978 OE2 GLU A 60 4.873 -9.797 -13.469 1.00 0.00 O ATOM 0 H GLU A 60 5.017 -7.553 -9.663 1.00 0.00 H new ATOM 0 HA GLU A 60 6.503 -9.522 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.924 -10.481 -10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.247 -10.436 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.731 -8.591 -11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.413 -8.130 -11.488 1.00 0.00 H new ATOM 985 N THR A 61 7.865 -6.983 -9.426 1.00 0.00 N ATOM 986 CA THR A 61 9.110 -6.265 -9.640 1.00 0.00 C ATOM 987 C THR A 61 9.225 -5.092 -8.663 1.00 0.00 C ATOM 988 O THR A 61 8.240 -4.701 -8.039 1.00 0.00 O ATOM 989 CB THR A 61 9.165 -5.839 -11.108 1.00 0.00 C ATOM 990 OG1 THR A 61 7.997 -5.041 -11.282 1.00 0.00 O ATOM 991 CG2 THR A 61 8.958 -7.014 -12.066 1.00 0.00 C ATOM 0 H THR A 61 7.027 -6.403 -9.459 1.00 0.00 H new ATOM 0 HA THR A 61 9.972 -6.901 -9.439 1.00 0.00 H new ATOM 0 HB THR A 61 10.126 -5.367 -11.313 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.954 -4.721 -12.207 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.006 -6.657 -13.095 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.738 -7.758 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.982 -7.465 -11.884 1.00 0.00 H new ATOM 999 N ARG A 62 10.438 -4.567 -8.560 1.00 0.00 N ATOM 1000 CA ARG A 62 10.693 -3.447 -7.669 1.00 0.00 C ATOM 1001 C ARG A 62 10.370 -2.126 -8.371 1.00 0.00 C ATOM 1002 O ARG A 62 9.745 -1.244 -7.784 1.00 0.00 O ATOM 1003 CB ARG A 62 12.153 -3.430 -7.213 1.00 0.00 C ATOM 1004 CG ARG A 62 12.309 -2.652 -5.905 1.00 0.00 C ATOM 1005 CD ARG A 62 13.388 -1.576 -6.032 1.00 0.00 C ATOM 1006 NE ARG A 62 14.661 -2.063 -5.454 1.00 0.00 N ATOM 1007 CZ ARG A 62 15.779 -1.328 -5.372 1.00 0.00 C ATOM 1008 NH1 ARG A 62 15.789 -0.069 -5.831 1.00 0.00 N ATOM 1009 NH2 ARG A 62 16.888 -1.853 -4.831 1.00 0.00 N ATOM 0 H ARG A 62 11.253 -4.896 -9.078 1.00 0.00 H new ATOM 0 HA ARG A 62 10.052 -3.564 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.507 -4.452 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.774 -2.977 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.359 -2.189 -5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.568 -3.338 -5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.532 -1.316 -7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.070 -0.668 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 62 14.689 -3.018 -5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.946 0.330 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.640 0.490 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.881 -2.811 -4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.739 -1.294 -4.769 1.00 0.00 H new ATOM 1023 N SER A 63 10.811 -2.030 -9.617 1.00 0.00 N ATOM 1024 CA SER A 63 10.576 -0.832 -10.403 1.00 0.00 C ATOM 1025 C SER A 63 9.136 -0.352 -10.210 1.00 0.00 C ATOM 1026 O SER A 63 8.902 0.828 -9.955 1.00 0.00 O ATOM 1027 CB SER A 63 10.857 -1.084 -11.886 1.00 0.00 C ATOM 1028 OG SER A 63 12.247 -1.006 -12.187 1.00 0.00 O ATOM 0 H SER A 63 11.330 -2.763 -10.101 1.00 0.00 H new ATOM 0 HA SER A 63 11.259 -0.056 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.481 -2.068 -12.164 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.315 -0.354 -12.487 1.00 0.00 H new ATOM 0 HG SER A 63 12.385 -1.174 -13.143 1.00 0.00 H new ATOM 1034 N GLU A 64 8.212 -1.292 -10.337 1.00 0.00 N ATOM 1035 CA GLU A 64 6.802 -0.979 -10.179 1.00 0.00 C ATOM 1036 C GLU A 64 6.518 -0.512 -8.750 1.00 0.00 C ATOM 1037 O GLU A 64 5.916 0.541 -8.545 1.00 0.00 O ATOM 1038 CB GLU A 64 5.929 -2.182 -10.546 1.00 0.00 C ATOM 1039 CG GLU A 64 4.801 -1.772 -11.495 1.00 0.00 C ATOM 1040 CD GLU A 64 5.049 -2.311 -12.906 1.00 0.00 C ATOM 1041 OE1 GLU A 64 5.076 -3.553 -13.042 1.00 0.00 O ATOM 1042 OE2 GLU A 64 5.206 -1.469 -13.816 1.00 0.00 O ATOM 0 H GLU A 64 8.412 -2.270 -10.547 1.00 0.00 H new ATOM 0 HA GLU A 64 6.552 -0.167 -10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.542 -2.951 -11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.507 -2.619 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.850 -2.149 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.723 -0.685 -11.525 1.00 0.00 H new ATOM 1049 N ALA A 65 6.966 -1.317 -7.798 1.00 0.00 N ATOM 1050 CA ALA A 65 6.768 -0.998 -6.394 1.00 0.00 C ATOM 1051 C ALA A 65 7.157 0.460 -6.147 1.00 0.00 C ATOM 1052 O ALA A 65 6.333 1.260 -5.707 1.00 0.00 O ATOM 1053 CB ALA A 65 7.574 -1.972 -5.532 1.00 0.00 C ATOM 0 H ALA A 65 7.465 -2.189 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 65 5.719 -1.109 -6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.426 -1.734 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.238 -2.991 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.632 -1.886 -5.778 1.00 0.00 H new ATOM 1059 N THR A 66 8.414 0.762 -6.440 1.00 0.00 N ATOM 1060 CA THR A 66 8.923 2.110 -6.255 1.00 0.00 C ATOM 1061 C THR A 66 8.151 3.097 -7.132 1.00 0.00 C ATOM 1062 O THR A 66 7.863 4.215 -6.710 1.00 0.00 O ATOM 1063 CB THR A 66 10.427 2.090 -6.538 1.00 0.00 C ATOM 1064 OG1 THR A 66 10.837 3.439 -6.326 1.00 0.00 O ATOM 1065 CG2 THR A 66 10.740 1.835 -8.013 1.00 0.00 C ATOM 0 H THR A 66 9.095 0.096 -6.804 1.00 0.00 H new ATOM 0 HA THR A 66 8.775 2.452 -5.231 1.00 0.00 H new ATOM 0 HB THR A 66 10.902 1.322 -5.927 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.801 3.517 -6.486 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.820 1.831 -8.160 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.329 0.870 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.294 2.622 -8.621 1.00 0.00 H new ATOM 1073 N LYS A 67 7.837 2.647 -8.338 1.00 0.00 N ATOM 1074 CA LYS A 67 7.104 3.475 -9.279 1.00 0.00 C ATOM 1075 C LYS A 67 5.806 3.955 -8.627 1.00 0.00 C ATOM 1076 O LYS A 67 5.497 5.145 -8.652 1.00 0.00 O ATOM 1077 CB LYS A 67 6.890 2.729 -10.598 1.00 0.00 C ATOM 1078 CG LYS A 67 6.126 3.596 -11.602 1.00 0.00 C ATOM 1079 CD LYS A 67 6.109 2.945 -12.986 1.00 0.00 C ATOM 1080 CE LYS A 67 4.909 2.008 -13.133 1.00 0.00 C ATOM 1081 NZ LYS A 67 3.891 2.604 -14.027 1.00 0.00 N ATOM 0 H LYS A 67 8.077 1.718 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 67 7.682 4.364 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.854 2.443 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.337 1.808 -10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.104 3.747 -11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.590 4.580 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.069 3.717 -13.755 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.032 2.387 -13.141 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.236 1.049 -13.534 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.472 1.812 -12.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.084 1.954 -14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.566 3.508 -13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.307 2.769 -14.966 1.00 0.00 H new ATOM 1095 N ALA A 68 5.081 3.003 -8.058 1.00 0.00 N ATOM 1096 CA ALA A 68 3.823 3.314 -7.400 1.00 0.00 C ATOM 1097 C ALA A 68 4.056 4.401 -6.349 1.00 0.00 C ATOM 1098 O ALA A 68 3.277 5.346 -6.246 1.00 0.00 O ATOM 1099 CB ALA A 68 3.234 2.036 -6.796 1.00 0.00 C ATOM 0 H ALA A 68 5.340 2.017 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 68 3.100 3.700 -8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.290 2.268 -6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.060 1.307 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.932 1.622 -6.068 1.00 0.00 H new ATOM 1105 N GLU A 69 5.134 4.230 -5.596 1.00 0.00 N ATOM 1106 CA GLU A 69 5.480 5.186 -4.558 1.00 0.00 C ATOM 1107 C GLU A 69 5.594 6.593 -5.148 1.00 0.00 C ATOM 1108 O GLU A 69 4.924 7.517 -4.691 1.00 0.00 O ATOM 1109 CB GLU A 69 6.775 4.782 -3.850 1.00 0.00 C ATOM 1110 CG GLU A 69 6.479 4.012 -2.562 1.00 0.00 C ATOM 1111 CD GLU A 69 7.759 3.419 -1.970 1.00 0.00 C ATOM 1112 OE1 GLU A 69 8.611 2.990 -2.778 1.00 0.00 O ATOM 1113 OE2 GLU A 69 7.858 3.409 -0.724 1.00 0.00 O ATOM 0 H GLU A 69 5.778 3.444 -5.684 1.00 0.00 H new ATOM 0 HA GLU A 69 4.683 5.189 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.380 4.166 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.360 5.672 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.013 4.677 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.766 3.214 -2.767 1.00 0.00 H new ATOM 1120 N ALA A 70 6.448 6.711 -6.154 1.00 0.00 N ATOM 1121 CA ALA A 70 6.658 7.991 -6.811 1.00 0.00 C ATOM 1122 C ALA A 70 5.316 8.707 -6.966 1.00 0.00 C ATOM 1123 O ALA A 70 5.116 9.787 -6.412 1.00 0.00 O ATOM 1124 CB ALA A 70 7.357 7.765 -8.153 1.00 0.00 C ATOM 0 H ALA A 70 7.003 5.942 -6.530 1.00 0.00 H new ATOM 0 HA ALA A 70 7.304 8.630 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.515 8.724 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.319 7.280 -7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.736 7.130 -8.784 1.00 0.00 H new ATOM 1130 N ALA A 71 4.429 8.076 -7.721 1.00 0.00 N ATOM 1131 CA ALA A 71 3.110 8.639 -7.956 1.00 0.00 C ATOM 1132 C ALA A 71 2.420 8.889 -6.613 1.00 0.00 C ATOM 1133 O ALA A 71 1.956 9.995 -6.344 1.00 0.00 O ATOM 1134 CB ALA A 71 2.306 7.701 -8.858 1.00 0.00 C ATOM 0 H ALA A 71 4.598 7.180 -8.178 1.00 0.00 H new ATOM 0 HA ALA A 71 3.189 9.597 -8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.317 8.124 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.823 7.580 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.204 6.730 -8.374 1.00 0.00 H new ATOM 1140 N PHE A 72 2.376 7.841 -5.804 1.00 0.00 N ATOM 1141 CA PHE A 72 1.749 7.932 -4.495 1.00 0.00 C ATOM 1142 C PHE A 72 2.149 9.228 -3.786 1.00 0.00 C ATOM 1143 O PHE A 72 1.289 9.975 -3.321 1.00 0.00 O ATOM 1144 CB PHE A 72 2.252 6.741 -3.676 1.00 0.00 C ATOM 1145 CG PHE A 72 1.157 5.742 -3.294 1.00 0.00 C ATOM 1146 CD1 PHE A 72 0.229 5.366 -4.215 1.00 0.00 C ATOM 1147 CD2 PHE A 72 1.110 5.232 -2.035 1.00 0.00 C ATOM 1148 CE1 PHE A 72 -0.787 4.440 -3.861 1.00 0.00 C ATOM 1149 CE2 PHE A 72 0.094 4.306 -1.681 1.00 0.00 C ATOM 1150 CZ PHE A 72 -0.833 3.929 -2.601 1.00 0.00 C ATOM 0 H PHE A 72 2.764 6.925 -6.029 1.00 0.00 H new ATOM 0 HA PHE A 72 0.664 7.926 -4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.022 6.221 -4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.725 7.112 -2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.265 5.772 -5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.846 5.531 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.524 4.141 -4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.057 3.901 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.606 3.224 -2.332 1.00 0.00 H new ATOM 1160 N LYS A 73 3.454 9.453 -3.725 1.00 0.00 N ATOM 1161 CA LYS A 73 3.977 10.646 -3.080 1.00 0.00 C ATOM 1162 C LYS A 73 3.215 11.871 -3.586 1.00 0.00 C ATOM 1163 O LYS A 73 2.930 12.790 -2.821 1.00 0.00 O ATOM 1164 CB LYS A 73 5.492 10.739 -3.275 1.00 0.00 C ATOM 1165 CG LYS A 73 6.214 9.642 -2.490 1.00 0.00 C ATOM 1166 CD LYS A 73 7.656 9.478 -2.978 1.00 0.00 C ATOM 1167 CE LYS A 73 8.632 9.439 -1.801 1.00 0.00 C ATOM 1168 NZ LYS A 73 9.467 10.663 -1.781 1.00 0.00 N ATOM 0 H LYS A 73 4.164 8.830 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 73 3.820 10.597 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.732 10.651 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.845 11.717 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.211 9.888 -1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.679 8.699 -2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.745 8.560 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.915 10.302 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.080 9.353 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.269 8.558 -1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.124 10.622 -0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.008 10.729 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.856 11.499 -1.686 1.00 0.00 H new ATOM 1182 N LYS A 74 2.906 11.844 -4.876 1.00 0.00 N ATOM 1183 CA LYS A 74 2.182 12.942 -5.494 1.00 0.00 C ATOM 1184 C LYS A 74 0.688 12.794 -5.197 1.00 0.00 C ATOM 1185 O LYS A 74 -0.039 13.785 -5.144 1.00 0.00 O ATOM 1186 CB LYS A 74 2.507 13.023 -6.987 1.00 0.00 C ATOM 1187 CG LYS A 74 3.502 14.150 -7.271 1.00 0.00 C ATOM 1188 CD LYS A 74 4.932 13.612 -7.357 1.00 0.00 C ATOM 1189 CE LYS A 74 5.312 13.295 -8.803 1.00 0.00 C ATOM 1190 NZ LYS A 74 5.246 11.837 -9.050 1.00 0.00 N ATOM 0 H LYS A 74 3.144 11.080 -5.508 1.00 0.00 H new ATOM 0 HA LYS A 74 2.499 13.895 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.922 12.073 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.591 13.190 -7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.239 14.645 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.439 14.902 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.626 14.346 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.023 12.713 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.639 13.816 -9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.319 13.659 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.556 11.635 -10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.868 11.343 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.268 11.507 -8.923 1.00 0.00 H new ATOM 1204 N LEU A 75 0.276 11.550 -5.011 1.00 0.00 N ATOM 1205 CA LEU A 75 -1.118 11.259 -4.720 1.00 0.00 C ATOM 1206 C LEU A 75 -1.392 11.523 -3.239 1.00 0.00 C ATOM 1207 O LEU A 75 -0.489 11.421 -2.409 1.00 0.00 O ATOM 1208 CB LEU A 75 -1.474 9.839 -5.168 1.00 0.00 C ATOM 1209 CG LEU A 75 -1.207 9.513 -6.638 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -1.297 8.006 -6.891 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -2.143 10.304 -7.555 1.00 0.00 C ATOM 0 H LEU A 75 0.882 10.731 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.771 11.921 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.915 9.134 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.531 9.670 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.188 9.820 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.103 7.802 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.558 7.490 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.295 7.652 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.932 10.053 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.178 10.051 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.987 11.372 -7.401 1.00 0.00 H new ATOM 1223 N THR A 76 -2.642 11.857 -2.950 1.00 0.00 N ATOM 1224 CA THR A 76 -3.044 12.138 -1.583 1.00 0.00 C ATOM 1225 C THR A 76 -4.037 11.081 -1.093 1.00 0.00 C ATOM 1226 O THR A 76 -4.231 10.056 -1.746 1.00 0.00 O ATOM 1227 CB THR A 76 -3.601 13.561 -1.536 1.00 0.00 C ATOM 1228 OG1 THR A 76 -3.913 13.767 -0.160 1.00 0.00 O ATOM 1229 CG2 THR A 76 -4.951 13.687 -2.246 1.00 0.00 C ATOM 0 H THR A 76 -3.389 11.939 -3.640 1.00 0.00 H new ATOM 0 HA THR A 76 -2.195 12.084 -0.902 1.00 0.00 H new ATOM 0 HB THR A 76 -2.886 14.245 -1.993 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.879 13.895 -0.059 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.301 14.717 -2.182 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.839 13.406 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.676 13.028 -1.769 1.00 0.00 H new ATOM 1237 N ARG A 77 -4.638 11.366 0.053 1.00 0.00 N ATOM 1238 CA ARG A 77 -5.604 10.453 0.638 1.00 0.00 C ATOM 1239 C ARG A 77 -6.797 10.269 -0.303 1.00 0.00 C ATOM 1240 O ARG A 77 -7.618 9.374 -0.103 1.00 0.00 O ATOM 1241 CB ARG A 77 -6.106 10.972 1.988 1.00 0.00 C ATOM 1242 CG ARG A 77 -7.090 12.128 1.800 1.00 0.00 C ATOM 1243 CD ARG A 77 -6.753 13.292 2.733 1.00 0.00 C ATOM 1244 NE ARG A 77 -7.685 13.306 3.882 1.00 0.00 N ATOM 1245 CZ ARG A 77 -7.709 14.264 4.819 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -6.851 15.292 4.748 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -8.589 14.195 5.827 1.00 0.00 N ATOM 0 H ARG A 77 -4.474 12.217 0.592 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.105 9.496 0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.590 10.163 2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.261 11.304 2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.064 12.468 0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.105 11.782 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.727 13.199 3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.818 14.235 2.190 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.351 12.538 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.181 15.345 3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.869 16.021 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.241 13.413 5.882 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.606 14.925 6.540 1.00 0.00 H new ATOM 1261 N LYS A 78 -6.854 11.127 -1.310 1.00 0.00 N ATOM 1262 CA LYS A 78 -7.932 11.070 -2.284 1.00 0.00 C ATOM 1263 C LYS A 78 -7.437 10.360 -3.546 1.00 0.00 C ATOM 1264 O LYS A 78 -7.783 9.206 -3.788 1.00 0.00 O ATOM 1265 CB LYS A 78 -8.492 12.469 -2.544 1.00 0.00 C ATOM 1266 CG LYS A 78 -9.855 12.649 -1.869 1.00 0.00 C ATOM 1267 CD LYS A 78 -10.974 12.061 -2.731 1.00 0.00 C ATOM 1268 CE LYS A 78 -12.338 12.251 -2.062 1.00 0.00 C ATOM 1269 NZ LYS A 78 -13.327 11.306 -2.625 1.00 0.00 N ATOM 0 H LYS A 78 -6.171 11.867 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.766 10.485 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.795 13.219 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.589 12.632 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.849 12.163 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.042 13.709 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.975 12.541 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.791 10.999 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.247 12.094 -0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.681 13.275 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.247 11.448 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.426 11.474 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.005 10.330 -2.464 1.00 0.00 H new ATOM 1283 N GLN A 79 -6.635 11.081 -4.315 1.00 0.00 N ATOM 1284 CA GLN A 79 -6.089 10.535 -5.546 1.00 0.00 C ATOM 1285 C GLN A 79 -5.808 9.040 -5.384 1.00 0.00 C ATOM 1286 O GLN A 79 -6.091 8.251 -6.284 1.00 0.00 O ATOM 1287 CB GLN A 79 -4.827 11.289 -5.967 1.00 0.00 C ATOM 1288 CG GLN A 79 -4.989 11.895 -7.362 1.00 0.00 C ATOM 1289 CD GLN A 79 -4.150 13.166 -7.509 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -3.105 13.325 -6.900 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -4.665 14.060 -8.349 1.00 0.00 N ATOM 0 H GLN A 79 -6.350 12.039 -4.110 1.00 0.00 H new ATOM 0 HA GLN A 79 -6.828 10.662 -6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.614 12.078 -5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.974 10.610 -5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.688 11.167 -8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.039 12.125 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.545 13.863 -8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.180 14.942 -8.515 1.00 0.00 H new ATOM 1300 N LYS A 80 -5.255 8.697 -4.230 1.00 0.00 N ATOM 1301 CA LYS A 80 -4.931 7.310 -3.939 1.00 0.00 C ATOM 1302 C LYS A 80 -6.222 6.488 -3.895 1.00 0.00 C ATOM 1303 O LYS A 80 -6.420 5.593 -4.715 1.00 0.00 O ATOM 1304 CB LYS A 80 -4.096 7.211 -2.661 1.00 0.00 C ATOM 1305 CG LYS A 80 -2.623 7.516 -2.944 1.00 0.00 C ATOM 1306 CD LYS A 80 -2.049 8.469 -1.893 1.00 0.00 C ATOM 1307 CE LYS A 80 -0.567 8.183 -1.644 1.00 0.00 C ATOM 1308 NZ LYS A 80 -0.377 7.546 -0.322 1.00 0.00 N ATOM 0 H LYS A 80 -5.023 9.355 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.311 6.890 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.479 7.909 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.189 6.211 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.051 6.588 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.523 7.959 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.173 9.500 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.605 8.365 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.180 7.531 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.002 9.112 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.153 8.189 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.305 7.342 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.154 6.659 -0.437 1.00 0.00 H new ATOM 1322 N GLU A 81 -7.066 6.823 -2.929 1.00 0.00 N ATOM 1323 CA GLU A 81 -8.330 6.127 -2.768 1.00 0.00 C ATOM 1324 C GLU A 81 -8.936 5.801 -4.135 1.00 0.00 C ATOM 1325 O GLU A 81 -9.269 4.650 -4.412 1.00 0.00 O ATOM 1326 CB GLU A 81 -9.305 6.950 -1.922 1.00 0.00 C ATOM 1327 CG GLU A 81 -10.658 6.247 -1.804 1.00 0.00 C ATOM 1328 CD GLU A 81 -10.665 5.264 -0.631 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -10.114 4.157 -0.815 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -11.223 5.641 0.422 1.00 0.00 O ATOM 0 H GLU A 81 -6.898 7.567 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.141 5.191 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.886 7.108 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.441 7.934 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.446 6.988 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.878 5.715 -2.730 1.00 0.00 H new ATOM 1337 N GLN A 82 -9.058 6.835 -4.955 1.00 0.00 N ATOM 1338 CA GLN A 82 -9.617 6.672 -6.287 1.00 0.00 C ATOM 1339 C GLN A 82 -8.648 5.889 -7.176 1.00 0.00 C ATOM 1340 O GLN A 82 -9.014 4.859 -7.743 1.00 0.00 O ATOM 1341 CB GLN A 82 -9.958 8.027 -6.908 1.00 0.00 C ATOM 1342 CG GLN A 82 -11.465 8.286 -6.866 1.00 0.00 C ATOM 1343 CD GLN A 82 -12.223 7.246 -7.694 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -13.302 6.756 -7.090 1.00 0.00 O flip ATOM 1345 NE2 GLN A 82 -11.853 6.911 -8.807 1.00 0.00 N flip ATOM 0 H GLN A 82 -8.779 7.788 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.544 6.104 -6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.434 8.819 -6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.609 8.056 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.814 8.259 -5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.677 9.285 -7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.015 7.327 -9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.382 6.215 -9.332 1.00 0.00 H new ATOM 1354 N TYR A 83 -7.432 6.407 -7.271 1.00 0.00 N ATOM 1355 CA TYR A 83 -6.409 5.769 -8.083 1.00 0.00 C ATOM 1356 C TYR A 83 -6.537 4.245 -8.027 1.00 0.00 C ATOM 1357 O TYR A 83 -6.607 3.587 -9.064 1.00 0.00 O ATOM 1358 CB TYR A 83 -5.069 6.180 -7.468 1.00 0.00 C ATOM 1359 CG TYR A 83 -3.901 5.270 -7.857 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -3.723 4.901 -9.175 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -3.027 4.818 -6.890 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -2.625 4.045 -9.541 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -1.928 3.962 -7.256 1.00 0.00 C ATOM 1364 CZ TYR A 83 -1.782 3.617 -8.563 1.00 0.00 C ATOM 1365 OH TYR A 83 -0.744 2.808 -8.909 1.00 0.00 O ATOM 0 H TYR A 83 -7.132 7.260 -6.800 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.501 6.071 -9.126 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.838 7.201 -7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.166 6.186 -6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.408 5.255 -9.932 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.167 5.106 -5.859 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.474 3.749 -10.569 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.236 3.602 -6.509 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.225 2.582 -8.109 1.00 0.00 H new ATOM 1375 N LEU A 84 -6.561 3.729 -6.807 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.678 2.296 -6.604 1.00 0.00 C ATOM 1377 C LEU A 84 -8.074 1.836 -7.027 1.00 0.00 C ATOM 1378 O LEU A 84 -8.221 0.804 -7.678 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.321 1.928 -5.161 1.00 0.00 C ATOM 1380 CG LEU A 84 -4.854 2.106 -4.767 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -4.671 3.332 -3.869 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -4.302 0.834 -4.120 1.00 0.00 C ATOM 0 H LEU A 84 -6.501 4.278 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.963 1.764 -7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.932 2.532 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.598 0.887 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.276 2.283 -5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.619 3.435 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.000 4.225 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.263 3.210 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.257 0.987 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.878 0.602 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.376 0.006 -4.825 1.00 0.00 H new ATOM 1394 N LYS A 85 -9.065 2.627 -6.641 1.00 0.00 N ATOM 1395 CA LYS A 85 -10.444 2.315 -6.972 1.00 0.00 C ATOM 1396 C LYS A 85 -10.551 2.023 -8.471 1.00 0.00 C ATOM 1397 O LYS A 85 -11.117 1.006 -8.870 1.00 0.00 O ATOM 1398 CB LYS A 85 -11.376 3.431 -6.496 1.00 0.00 C ATOM 1399 CG LYS A 85 -12.723 2.866 -6.042 1.00 0.00 C ATOM 1400 CD LYS A 85 -13.873 3.483 -6.839 1.00 0.00 C ATOM 1401 CE LYS A 85 -15.127 2.608 -6.761 1.00 0.00 C ATOM 1402 NZ LYS A 85 -16.299 3.418 -6.357 1.00 0.00 N ATOM 0 H LYS A 85 -8.939 3.484 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.767 1.416 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.909 3.973 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.532 4.148 -7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.728 1.783 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.865 3.064 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.095 4.478 -6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.574 3.605 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.315 2.144 -7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.971 1.801 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.141 2.810 -6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.123 3.841 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.457 4.173 -7.055 1.00 0.00 H new ATOM 1416 N THR A 86 -9.997 2.932 -9.259 1.00 0.00 N ATOM 1417 CA THR A 86 -10.022 2.786 -10.705 1.00 0.00 C ATOM 1418 C THR A 86 -9.689 1.345 -11.099 1.00 0.00 C ATOM 1419 O THR A 86 -10.270 0.805 -12.039 1.00 0.00 O ATOM 1420 CB THR A 86 -9.064 3.817 -11.301 1.00 0.00 C ATOM 1421 OG1 THR A 86 -9.632 4.124 -12.572 1.00 0.00 O ATOM 1422 CG2 THR A 86 -7.696 3.219 -11.639 1.00 0.00 C ATOM 0 H THR A 86 -9.528 3.773 -8.924 1.00 0.00 H new ATOM 0 HA THR A 86 -11.017 2.978 -11.106 1.00 0.00 H new ATOM 0 HB THR A 86 -8.936 4.642 -10.600 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.074 4.788 -13.028 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.054 3.993 -12.059 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.239 2.821 -10.733 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.819 2.416 -12.366 1.00 0.00 H new ATOM 1430 N PHE A 87 -8.755 0.764 -10.362 1.00 0.00 N ATOM 1431 CA PHE A 87 -8.337 -0.602 -10.624 1.00 0.00 C ATOM 1432 C PHE A 87 -9.251 -1.601 -9.913 1.00 0.00 C ATOM 1433 O PHE A 87 -9.410 -2.734 -10.364 1.00 0.00 O ATOM 1434 CB PHE A 87 -6.916 -0.749 -10.074 1.00 0.00 C ATOM 1435 CG PHE A 87 -6.517 -2.191 -9.758 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -6.829 -2.736 -8.552 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -5.849 -2.930 -10.685 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -6.459 -4.076 -8.260 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -5.478 -4.269 -10.393 1.00 0.00 C ATOM 1440 CZ PHE A 87 -5.791 -4.814 -9.187 1.00 0.00 C ATOM 0 H PHE A 87 -8.275 1.215 -9.583 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.383 -0.806 -11.694 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.213 -0.339 -10.799 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.825 -0.151 -9.167 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.358 -2.150 -7.816 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.601 -2.498 -11.643 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.708 -4.509 -7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.947 -4.855 -11.129 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.509 -5.833 -8.965 1.00 0.00 H new ATOM 1450 N HIS A 88 -9.829 -1.144 -8.811 1.00 0.00 N ATOM 1451 CA HIS A 88 -10.725 -1.984 -8.033 1.00 0.00 C ATOM 1452 C HIS A 88 -11.956 -2.336 -8.871 1.00 0.00 C ATOM 1453 O HIS A 88 -12.474 -3.448 -8.784 1.00 0.00 O ATOM 1454 CB HIS A 88 -11.083 -1.312 -6.707 1.00 0.00 C ATOM 1455 CG HIS A 88 -11.893 -2.183 -5.775 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -13.061 -2.858 -5.979 1.00 0.00 N flip ATOM 1457 CD2 HIS A 88 -11.520 -2.433 -4.467 1.00 0.00 C flip ATOM 1458 CE1 HIS A 88 -13.382 -3.488 -4.856 1.00 0.00 C flip ATOM 1459 NE2 HIS A 88 -12.429 -3.224 -3.916 1.00 0.00 N flip ATOM 0 H HIS A 88 -9.694 -0.204 -8.439 1.00 0.00 H new ATOM 0 HA HIS A 88 -10.224 -2.918 -7.777 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -10.164 -1.015 -6.202 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -11.643 -0.400 -6.913 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -13.596 -2.875 -6.847 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.637 -2.049 -3.978 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -14.254 -4.108 -4.710 1.00 0.00 H new ATOM 1467 N LEU A 89 -12.389 -1.367 -9.663 1.00 0.00 N ATOM 1468 CA LEU A 89 -13.550 -1.560 -10.516 1.00 0.00 C ATOM 1469 C LEU A 89 -13.453 -2.924 -11.200 1.00 0.00 C ATOM 1470 O LEU A 89 -14.294 -3.795 -10.979 1.00 0.00 O ATOM 1471 CB LEU A 89 -13.698 -0.391 -11.492 1.00 0.00 C ATOM 1472 CG LEU A 89 -14.549 0.785 -11.007 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -15.956 0.322 -10.623 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -13.857 1.527 -9.863 1.00 0.00 C ATOM 0 H LEU A 89 -11.957 -0.446 -9.732 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.463 -1.566 -9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.703 -0.018 -11.734 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.131 -0.769 -12.418 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.656 1.492 -11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.540 1.177 -10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -16.441 -0.126 -11.490 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.891 -0.415 -9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.483 2.358 -9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.698 0.843 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.896 1.910 -10.206 1.00 0.00 H new ATOM 1486 N GLU A 90 -12.421 -3.068 -12.019 1.00 0.00 N ATOM 1487 CA GLU A 90 -12.204 -4.313 -12.737 1.00 0.00 C ATOM 1488 C GLU A 90 -11.728 -5.404 -11.776 1.00 0.00 C ATOM 1489 O GLU A 90 -11.460 -5.132 -10.607 1.00 0.00 O ATOM 1490 CB GLU A 90 -11.207 -4.117 -13.881 1.00 0.00 C ATOM 1491 CG GLU A 90 -11.865 -4.394 -15.234 1.00 0.00 C ATOM 1492 CD GLU A 90 -10.843 -4.919 -16.245 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -9.835 -4.209 -16.453 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -11.093 -6.017 -16.787 1.00 0.00 O ATOM 0 H GLU A 90 -11.726 -2.344 -12.201 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.152 -4.629 -13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.822 -3.098 -13.862 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.355 -4.783 -13.744 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.666 -5.123 -15.110 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.321 -3.480 -15.614 1.00 0.00 H new ATOM 1501 N HIS A 91 -11.638 -6.616 -12.306 1.00 0.00 N ATOM 1502 CA HIS A 91 -11.200 -7.750 -11.510 1.00 0.00 C ATOM 1503 C HIS A 91 -10.387 -8.706 -12.382 1.00 0.00 C ATOM 1504 O HIS A 91 -10.873 -9.767 -12.768 1.00 0.00 O ATOM 1505 CB HIS A 91 -12.391 -8.432 -10.834 1.00 0.00 C ATOM 1506 CG HIS A 91 -13.551 -8.705 -11.763 1.00 0.00 C ATOM 1507 ND1 HIS A 91 -13.613 -8.736 -13.124 1.00 0.00 N flip ATOM 1508 CD2 HIS A 91 -14.827 -8.985 -11.306 1.00 0.00 C flip ATOM 1509 CE1 HIS A 91 -14.860 -9.021 -13.481 1.00 0.00 C flip ATOM 1510 NE2 HIS A 91 -15.614 -9.175 -12.355 1.00 0.00 N flip ATOM 0 H HIS A 91 -11.861 -6.837 -13.277 1.00 0.00 H new ATOM 0 HA HIS A 91 -10.549 -7.405 -10.707 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.058 -9.374 -10.399 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -12.737 -7.805 -10.012 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -15.130 -9.039 -10.271 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.218 -9.115 -14.496 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.609 -9.397 -12.326 1.00 0.00 H new ATOM 1518 N HIS A 92 -9.159 -8.296 -12.669 1.00 0.00 N ATOM 1519 CA HIS A 92 -8.273 -9.102 -13.490 1.00 0.00 C ATOM 1520 C HIS A 92 -7.666 -10.222 -12.642 1.00 0.00 C ATOM 1521 O HIS A 92 -7.514 -10.075 -11.430 1.00 0.00 O ATOM 1522 CB HIS A 92 -7.213 -8.230 -14.165 1.00 0.00 C ATOM 1523 CG HIS A 92 -6.074 -9.010 -14.775 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -6.048 -9.879 -15.825 1.00 0.00 N flip ATOM 1525 CD2 HIS A 92 -4.775 -8.935 -14.298 1.00 0.00 C flip ATOM 1526 CE1 HIS A 92 -4.804 -10.313 -15.983 1.00 0.00 C flip ATOM 1527 NE2 HIS A 92 -4.013 -9.729 -15.036 1.00 0.00 N flip ATOM 0 H HIS A 92 -8.758 -7.415 -12.347 1.00 0.00 H new ATOM 0 HA HIS A 92 -8.842 -9.568 -14.294 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.689 -7.634 -14.943 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -6.810 -7.532 -13.431 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -6.850 -10.150 -16.394 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -4.441 -8.332 -13.467 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.472 -11.012 -16.736 1.00 0.00 H new ATOM 1535 N HIS A 93 -7.336 -11.316 -13.313 1.00 0.00 N ATOM 1536 CA HIS A 93 -6.749 -12.459 -12.636 1.00 0.00 C ATOM 1537 C HIS A 93 -5.334 -12.699 -13.166 1.00 0.00 C ATOM 1538 O HIS A 93 -4.914 -12.068 -14.134 1.00 0.00 O ATOM 1539 CB HIS A 93 -7.648 -13.691 -12.770 1.00 0.00 C ATOM 1540 CG HIS A 93 -7.625 -14.603 -11.567 1.00 0.00 C ATOM 1541 ND1 HIS A 93 -7.966 -15.942 -11.635 1.00 0.00 N ATOM 1542 CD2 HIS A 93 -7.299 -14.354 -10.267 1.00 0.00 C ATOM 1543 CE1 HIS A 93 -7.846 -16.466 -10.424 1.00 0.00 C ATOM 1544 NE2 HIS A 93 -7.433 -15.481 -9.578 1.00 0.00 N ATOM 0 H HIS A 93 -7.464 -11.435 -14.318 1.00 0.00 H new ATOM 0 HA HIS A 93 -6.670 -12.252 -11.569 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -8.673 -13.363 -12.945 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -7.341 -14.258 -13.649 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -6.985 -13.402 -9.866 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -8.041 -17.494 -10.155 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -7.256 -15.591 -8.580 1.00 0.00 H new ATOM 1552 N HIS A 94 -4.637 -13.615 -12.508 1.00 0.00 N ATOM 1553 CA HIS A 94 -3.278 -13.945 -12.901 1.00 0.00 C ATOM 1554 C HIS A 94 -2.749 -15.075 -12.014 1.00 0.00 C ATOM 1555 O HIS A 94 -2.765 -14.966 -10.789 1.00 0.00 O ATOM 1556 CB HIS A 94 -2.387 -12.702 -12.872 1.00 0.00 C ATOM 1557 CG HIS A 94 -1.613 -12.472 -14.149 1.00 0.00 C ATOM 1558 ND1 HIS A 94 -1.309 -13.321 -15.173 1.00 0.00 N flip ATOM 1559 CD2 HIS A 94 -1.055 -11.249 -14.477 1.00 0.00 C flip ATOM 1560 CE1 HIS A 94 -0.606 -12.652 -16.077 1.00 0.00 C flip ATOM 1561 NE2 HIS A 94 -0.448 -11.368 -15.649 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.988 -14.138 -11.706 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.269 -14.302 -13.931 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.007 -11.828 -12.672 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.684 -12.791 -12.044 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.106 -10.351 -13.880 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.222 -13.058 -17.001 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.050 -10.628 -16.144 1.00 0.00 H new ATOM 1569 N HIS A 95 -2.289 -16.130 -12.669 1.00 0.00 N ATOM 1570 CA HIS A 95 -1.755 -17.279 -11.956 1.00 0.00 C ATOM 1571 C HIS A 95 -0.229 -17.190 -11.909 1.00 0.00 C ATOM 1572 O HIS A 95 0.361 -17.122 -10.831 1.00 0.00 O ATOM 1573 CB HIS A 95 -2.255 -18.585 -12.578 1.00 0.00 C ATOM 1574 CG HIS A 95 -1.902 -19.818 -11.779 1.00 0.00 C ATOM 1575 ND1 HIS A 95 -2.578 -20.185 -10.629 1.00 0.00 N ATOM 1576 CD2 HIS A 95 -0.941 -20.765 -11.980 1.00 0.00 C ATOM 1577 CE1 HIS A 95 -2.040 -21.302 -10.164 1.00 0.00 C ATOM 1578 NE2 HIS A 95 -1.025 -21.660 -11.003 1.00 0.00 N ATOM 0 H HIS A 95 -2.275 -16.214 -13.685 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.116 -17.273 -10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.338 -18.533 -12.687 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.838 -18.682 -13.580 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.233 -20.784 -12.795 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.350 -21.835 -9.277 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.429 -22.481 -10.897 1.00 0.00 H new ATOM 1586 N HIS A 96 0.368 -17.193 -13.092 1.00 0.00 N ATOM 1587 CA HIS A 96 1.815 -17.112 -13.201 1.00 0.00 C ATOM 1588 C HIS A 96 2.197 -15.964 -14.135 1.00 0.00 C ATOM 1589 O HIS A 96 3.354 -15.545 -14.171 1.00 0.00 O ATOM 1590 CB HIS A 96 2.403 -18.455 -13.641 1.00 0.00 C ATOM 1591 CG HIS A 96 2.988 -19.269 -12.512 1.00 0.00 C ATOM 1592 ND1 HIS A 96 2.911 -20.650 -12.466 1.00 0.00 N ATOM 1593 CD2 HIS A 96 3.660 -18.883 -11.390 1.00 0.00 C ATOM 1594 CE1 HIS A 96 3.512 -21.065 -11.361 1.00 0.00 C ATOM 1595 NE2 HIS A 96 3.976 -19.969 -10.695 1.00 0.00 N ATOM 0 H HIS A 96 -0.124 -17.250 -13.984 1.00 0.00 H new ATOM 0 HA HIS A 96 2.244 -16.896 -12.223 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.623 -19.039 -14.130 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.179 -18.274 -14.385 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.895 -17.866 -11.114 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.616 -22.092 -11.043 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.482 -19.982 -9.809 1.00 0.00 H new TER 1603 HIS A 96