USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 644 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 56 THR OG1 : rot 98:sc= 1.26 USER MOD Set 1.2: A 61 THR OG1 : rot 145:sc= 2.42 USER MOD Set 2.1: A 17 TYR OH : rot -162:sc= 0.136 USER MOD Set 2.2: A 53 SER OG : rot 120:sc= 1.4 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 131:sc= -0.231 (180deg=-2.09!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 109:sc= 0.00534 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 85:sc= 0.875 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -110:sc= -2.23! USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.286 (180deg=0.246) USER MOD Single : A 71 THR OG1 : rot -164:sc= 0.109 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 49:sc= 1.09 USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= 1.15 (180deg=1.06) USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00715 USER MOD Single : A 88 CYS SG : rot 180:sc= 0.101 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 16 -7.149 -4.084 4.131 1.00 2.98 N ATOM 2 CA PRO A 16 -5.840 -3.823 4.760 1.00 2.98 C ATOM 3 C PRO A 16 -5.110 -2.599 4.163 1.00 3.07 C ATOM 4 O PRO A 16 -3.965 -2.692 3.736 1.00 3.73 O ATOM 5 CB PRO A 16 -5.072 -5.113 4.453 1.00 3.37 C ATOM 6 CG PRO A 16 -5.616 -5.569 3.149 1.00 3.63 C ATOM 7 CD PRO A 16 -7.064 -5.192 3.154 1.00 3.28 C ATOM 0 HA PRO A 16 -5.931 -3.586 5.820 1.00 2.98 H new ATOM 0 HB2 PRO A 16 -3.999 -4.931 4.394 1.00 3.37 H new ATOM 0 HB3 PRO A 16 -5.226 -5.861 5.231 1.00 3.37 H new ATOM 0 HG2 PRO A 16 -5.092 -5.094 2.320 1.00 3.63 H new ATOM 0 HG3 PRO A 16 -5.493 -6.645 3.029 1.00 3.63 H new ATOM 0 HD2 PRO A 16 -7.397 -4.877 2.165 1.00 3.28 H new ATOM 0 HD3 PRO A 16 -7.693 -6.032 3.449 1.00 3.28 H new ATOM 15 N TYR A 17 -5.768 -1.461 4.156 1.00 2.86 N ATOM 16 CA TYR A 17 -5.181 -0.240 3.632 1.00 3.15 C ATOM 17 C TYR A 17 -5.353 0.893 4.649 1.00 2.43 C ATOM 18 O TYR A 17 -6.426 1.431 4.795 1.00 2.82 O ATOM 19 CB TYR A 17 -5.817 0.136 2.266 1.00 4.19 C ATOM 20 CG TYR A 17 -5.643 -0.918 1.170 1.00 5.00 C ATOM 21 CD1 TYR A 17 -6.455 -2.036 1.118 1.00 5.51 C ATOM 22 CD2 TYR A 17 -4.662 -0.785 0.192 1.00 5.52 C ATOM 23 CE1 TYR A 17 -6.305 -2.991 0.140 1.00 6.49 C ATOM 24 CE2 TYR A 17 -4.511 -1.742 -0.806 1.00 6.48 C ATOM 25 CZ TYR A 17 -5.345 -2.846 -0.820 1.00 6.96 C ATOM 26 OH TYR A 17 -5.213 -3.812 -1.799 1.00 8.04 O ATOM 0 H TYR A 17 -6.718 -1.352 4.510 1.00 2.86 H new ATOM 0 HA TYR A 17 -4.116 -0.402 3.465 1.00 3.15 H new ATOM 0 HB2 TYR A 17 -6.882 0.316 2.413 1.00 4.19 H new ATOM 0 HB3 TYR A 17 -5.380 1.074 1.923 1.00 4.19 H new ATOM 0 HD1 TYR A 17 -7.226 -2.162 1.864 1.00 5.51 H new ATOM 0 HD2 TYR A 17 -4.008 0.074 0.208 1.00 5.52 H new ATOM 0 HE1 TYR A 17 -6.948 -3.858 0.131 1.00 6.49 H new ATOM 0 HE2 TYR A 17 -3.750 -1.624 -1.563 1.00 6.48 H new ATOM 0 HH TYR A 17 -4.333 -3.730 -2.223 1.00 8.04 H new ATOM 36 N ILE A 18 -4.290 1.201 5.389 1.00 1.98 N ATOM 37 CA ILE A 18 -4.349 2.252 6.419 1.00 1.60 C ATOM 38 C ILE A 18 -3.548 3.499 6.013 1.00 1.32 C ATOM 39 O ILE A 18 -4.069 4.613 6.025 1.00 1.96 O ATOM 40 CB ILE A 18 -3.878 1.743 7.856 1.00 2.09 C ATOM 41 CG1 ILE A 18 -4.798 0.628 8.441 1.00 2.89 C ATOM 42 CG2 ILE A 18 -3.766 2.896 8.857 1.00 2.23 C ATOM 43 CD1 ILE A 18 -4.751 -0.717 7.727 1.00 3.81 C ATOM 0 H ILE A 18 -3.382 0.746 5.301 1.00 1.98 H new ATOM 0 HA ILE A 18 -5.402 2.524 6.496 1.00 1.60 H new ATOM 0 HB ILE A 18 -2.891 1.309 7.700 1.00 2.09 H new ATOM 0 HG12 ILE A 18 -4.528 0.472 9.486 1.00 2.89 H new ATOM 0 HG13 ILE A 18 -5.827 0.989 8.428 1.00 2.89 H new ATOM 0 HG21 ILE A 18 -3.443 2.509 9.823 1.00 2.23 H new ATOM 0 HG22 ILE A 18 -3.038 3.622 8.495 1.00 2.23 H new ATOM 0 HG23 ILE A 18 -4.737 3.379 8.966 1.00 2.23 H new ATOM 0 HD11 ILE A 18 -5.429 -1.414 8.219 1.00 3.81 H new ATOM 0 HD12 ILE A 18 -5.054 -0.588 6.688 1.00 3.81 H new ATOM 0 HD13 ILE A 18 -3.736 -1.112 7.762 1.00 3.81 H new ATOM 55 N GLY A 19 -2.306 3.284 5.649 1.00 1.07 N ATOM 56 CA GLY A 19 -1.400 4.378 5.302 1.00 0.82 C ATOM 57 C GLY A 19 -1.264 4.609 3.798 1.00 0.70 C ATOM 58 O GLY A 19 -2.244 4.488 3.046 1.00 1.05 O ATOM 0 H GLY A 19 -1.887 2.356 5.582 1.00 1.07 H new ATOM 0 HA2 GLY A 19 -1.756 5.295 5.771 1.00 0.82 H new ATOM 0 HA3 GLY A 19 -0.415 4.168 5.719 1.00 0.82 H new ATOM 62 N SER A 20 -0.050 4.909 3.358 1.00 0.60 N ATOM 63 CA SER A 20 0.218 5.203 1.954 1.00 0.70 C ATOM 64 C SER A 20 0.394 3.922 1.150 1.00 0.53 C ATOM 65 O SER A 20 1.030 2.981 1.610 1.00 0.89 O ATOM 66 CB SER A 20 1.467 6.090 1.822 1.00 1.22 C ATOM 67 OG SER A 20 1.272 7.330 2.494 1.00 1.81 O ATOM 0 H SER A 20 0.773 4.956 3.958 1.00 0.60 H new ATOM 0 HA SER A 20 -0.641 5.741 1.552 1.00 0.70 H new ATOM 0 HB2 SER A 20 2.332 5.575 2.241 1.00 1.22 H new ATOM 0 HB3 SER A 20 1.682 6.270 0.769 1.00 1.22 H new ATOM 0 HG SER A 20 2.076 7.882 2.402 1.00 1.81 H new ATOM 73 N LYS A 21 -0.166 3.905 -0.036 1.00 0.67 N ATOM 74 CA LYS A 21 -0.129 2.746 -0.912 1.00 0.88 C ATOM 75 C LYS A 21 0.976 2.949 -1.931 1.00 0.70 C ATOM 76 O LYS A 21 0.922 3.907 -2.730 1.00 1.07 O ATOM 77 CB LYS A 21 -1.462 2.580 -1.700 1.00 1.67 C ATOM 78 CG LYS A 21 -2.770 2.456 -0.899 1.00 2.31 C ATOM 79 CD LYS A 21 -3.126 3.730 -0.145 1.00 3.10 C ATOM 80 CE LYS A 21 -4.522 3.676 0.420 1.00 3.78 C ATOM 81 NZ LYS A 21 -5.548 3.634 -0.658 1.00 4.35 N ATOM 0 H LYS A 21 -0.667 4.702 -0.429 1.00 0.67 H new ATOM 0 HA LYS A 21 0.035 1.862 -0.296 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -1.561 3.434 -2.370 1.00 1.67 H new ATOM 0 HB3 LYS A 21 -1.370 1.693 -2.327 1.00 1.67 H new ATOM 0 HG2 LYS A 21 -3.584 2.203 -1.579 1.00 2.31 H new ATOM 0 HG3 LYS A 21 -2.679 1.633 -0.190 1.00 2.31 H new ATOM 0 HD2 LYS A 21 -2.412 3.885 0.664 1.00 3.10 H new ATOM 0 HD3 LYS A 21 -3.038 4.585 -0.815 1.00 3.10 H new ATOM 0 HE2 LYS A 21 -4.624 2.796 1.055 1.00 3.78 H new ATOM 0 HE3 LYS A 21 -4.693 4.547 1.052 1.00 3.78 H new ATOM 0 HZ1 LYS A 21 -6.224 2.867 -0.465 1.00 4.35 H new ATOM 0 HZ2 LYS A 21 -6.055 4.542 -0.691 1.00 4.35 H new ATOM 0 HZ3 LYS A 21 -5.084 3.464 -1.573 1.00 4.35 H new ATOM 95 N ILE A 22 1.981 2.103 -1.909 1.00 0.48 N ATOM 96 CA ILE A 22 3.046 2.221 -2.881 1.00 0.59 C ATOM 97 C ILE A 22 3.474 0.846 -3.330 1.00 0.43 C ATOM 98 O ILE A 22 3.339 -0.148 -2.593 1.00 0.51 O ATOM 99 CB ILE A 22 4.331 2.981 -2.361 1.00 1.12 C ATOM 100 CG1 ILE A 22 5.108 2.128 -1.336 1.00 1.51 C ATOM 101 CG2 ILE A 22 3.975 4.359 -1.780 1.00 1.77 C ATOM 102 CD1 ILE A 22 6.318 2.806 -0.745 1.00 2.41 C ATOM 0 H ILE A 22 2.084 1.338 -1.242 1.00 0.48 H new ATOM 0 HA ILE A 22 2.629 2.814 -3.695 1.00 0.59 H new ATOM 0 HB ILE A 22 4.982 3.146 -3.219 1.00 1.12 H new ATOM 0 HG12 ILE A 22 4.432 1.850 -0.527 1.00 1.51 H new ATOM 0 HG13 ILE A 22 5.425 1.203 -1.818 1.00 1.51 H new ATOM 0 HG21 ILE A 22 4.882 4.853 -1.432 1.00 1.77 H new ATOM 0 HG22 ILE A 22 3.503 4.968 -2.551 1.00 1.77 H new ATOM 0 HG23 ILE A 22 3.287 4.235 -0.944 1.00 1.77 H new ATOM 0 HD11 ILE A 22 6.802 2.134 -0.036 1.00 2.41 H new ATOM 0 HD12 ILE A 22 7.018 3.059 -1.541 1.00 2.41 H new ATOM 0 HD13 ILE A 22 6.010 3.716 -0.230 1.00 2.41 H new ATOM 114 N SER A 23 3.989 0.795 -4.521 1.00 0.44 N ATOM 115 CA SER A 23 4.545 -0.393 -5.059 1.00 0.38 C ATOM 116 C SER A 23 6.063 -0.292 -4.907 1.00 0.34 C ATOM 117 O SER A 23 6.696 0.626 -5.454 1.00 0.52 O ATOM 118 CB SER A 23 4.160 -0.520 -6.529 1.00 0.53 C ATOM 119 OG SER A 23 2.746 -0.438 -6.676 1.00 1.33 O ATOM 0 H SER A 23 4.032 1.596 -5.151 1.00 0.44 H new ATOM 0 HA SER A 23 4.171 -1.274 -4.538 1.00 0.38 H new ATOM 0 HB2 SER A 23 4.639 0.270 -7.108 1.00 0.53 H new ATOM 0 HB3 SER A 23 4.520 -1.469 -6.926 1.00 0.53 H new ATOM 0 HG SER A 23 2.510 -0.519 -7.624 1.00 1.33 H new ATOM 125 N LEU A 24 6.620 -1.179 -4.142 1.00 0.34 N ATOM 126 CA LEU A 24 8.024 -1.180 -3.842 1.00 0.37 C ATOM 127 C LEU A 24 8.644 -2.501 -4.239 1.00 0.35 C ATOM 128 O LEU A 24 8.137 -3.554 -3.891 1.00 0.50 O ATOM 129 CB LEU A 24 8.225 -0.933 -2.335 1.00 0.56 C ATOM 130 CG LEU A 24 9.654 -1.019 -1.813 1.00 0.77 C ATOM 131 CD1 LEU A 24 10.527 0.036 -2.448 1.00 1.20 C ATOM 132 CD2 LEU A 24 9.681 -0.907 -0.301 1.00 1.45 C ATOM 0 H LEU A 24 6.104 -1.939 -3.698 1.00 0.34 H new ATOM 0 HA LEU A 24 8.512 -0.386 -4.407 1.00 0.37 H new ATOM 0 HB2 LEU A 24 7.835 0.057 -2.097 1.00 0.56 H new ATOM 0 HB3 LEU A 24 7.619 -1.655 -1.788 1.00 0.56 H new ATOM 0 HG LEU A 24 10.056 -1.994 -2.088 1.00 0.77 H new ATOM 0 HD11 LEU A 24 11.541 -0.048 -2.058 1.00 1.20 H new ATOM 0 HD12 LEU A 24 10.541 -0.106 -3.529 1.00 1.20 H new ATOM 0 HD13 LEU A 24 10.130 1.024 -2.217 1.00 1.20 H new ATOM 0 HD21 LEU A 24 10.711 -0.971 0.050 1.00 1.45 H new ATOM 0 HD22 LEU A 24 9.253 0.049 0.001 1.00 1.45 H new ATOM 0 HD23 LEU A 24 9.098 -1.719 0.134 1.00 1.45 H new ATOM 144 N ILE A 25 9.713 -2.449 -4.980 1.00 0.29 N ATOM 145 CA ILE A 25 10.397 -3.658 -5.351 1.00 0.28 C ATOM 146 C ILE A 25 11.725 -3.738 -4.648 1.00 0.25 C ATOM 147 O ILE A 25 12.587 -2.849 -4.793 1.00 0.29 O ATOM 148 CB ILE A 25 10.614 -3.806 -6.879 1.00 0.32 C ATOM 149 CG1 ILE A 25 9.276 -3.734 -7.623 1.00 0.39 C ATOM 150 CG2 ILE A 25 11.318 -5.146 -7.174 1.00 0.34 C ATOM 151 CD1 ILE A 25 9.397 -3.854 -9.135 1.00 0.72 C ATOM 0 H ILE A 25 10.129 -1.590 -5.338 1.00 0.29 H new ATOM 0 HA ILE A 25 9.749 -4.478 -5.043 1.00 0.28 H new ATOM 0 HB ILE A 25 11.242 -2.986 -7.228 1.00 0.32 H new ATOM 0 HG12 ILE A 25 8.626 -4.529 -7.257 1.00 0.39 H new ATOM 0 HG13 ILE A 25 8.789 -2.789 -7.382 1.00 0.39 H new ATOM 0 HG21 ILE A 25 11.470 -5.248 -8.249 1.00 0.34 H new ATOM 0 HG22 ILE A 25 12.283 -5.169 -6.667 1.00 0.34 H new ATOM 0 HG23 ILE A 25 10.700 -5.969 -6.815 1.00 0.34 H new ATOM 0 HD11 ILE A 25 8.406 -3.793 -9.585 1.00 0.72 H new ATOM 0 HD12 ILE A 25 10.019 -3.044 -9.516 1.00 0.72 H new ATOM 0 HD13 ILE A 25 9.853 -4.811 -9.389 1.00 0.72 H new ATOM 163 N SER A 26 11.879 -4.776 -3.881 1.00 0.27 N ATOM 164 CA SER A 26 13.100 -5.044 -3.192 1.00 0.31 C ATOM 165 C SER A 26 14.126 -5.570 -4.195 1.00 0.29 C ATOM 166 O SER A 26 13.746 -6.094 -5.249 1.00 0.28 O ATOM 167 CB SER A 26 12.839 -6.083 -2.096 1.00 0.45 C ATOM 168 OG SER A 26 13.997 -6.355 -1.324 1.00 1.34 O ATOM 0 H SER A 26 11.148 -5.468 -3.716 1.00 0.27 H new ATOM 0 HA SER A 26 13.486 -4.135 -2.730 1.00 0.31 H new ATOM 0 HB2 SER A 26 12.045 -5.725 -1.441 1.00 0.45 H new ATOM 0 HB3 SER A 26 12.484 -7.007 -2.552 1.00 0.45 H new ATOM 0 HG SER A 26 13.889 -5.976 -0.427 1.00 1.34 H new ATOM 174 N LYS A 27 15.413 -5.454 -3.849 1.00 0.35 N ATOM 175 CA LYS A 27 16.548 -5.903 -4.686 1.00 0.41 C ATOM 176 C LYS A 27 16.514 -7.385 -5.092 1.00 0.45 C ATOM 177 O LYS A 27 17.319 -7.826 -5.900 1.00 0.60 O ATOM 178 CB LYS A 27 17.912 -5.522 -4.062 1.00 0.53 C ATOM 179 CG LYS A 27 18.072 -5.845 -2.560 1.00 0.83 C ATOM 180 CD LYS A 27 17.932 -7.323 -2.231 1.00 0.74 C ATOM 181 CE LYS A 27 18.124 -7.540 -0.726 1.00 1.33 C ATOM 182 NZ LYS A 27 17.971 -8.954 -0.328 1.00 2.12 N ATOM 0 H LYS A 27 15.708 -5.039 -2.965 1.00 0.35 H new ATOM 0 HA LYS A 27 16.426 -5.354 -5.619 1.00 0.41 H new ATOM 0 HB2 LYS A 27 18.700 -6.037 -4.612 1.00 0.53 H new ATOM 0 HB3 LYS A 27 18.071 -4.453 -4.204 1.00 0.53 H new ATOM 0 HG2 LYS A 27 19.050 -5.499 -2.226 1.00 0.83 H new ATOM 0 HG3 LYS A 27 17.326 -5.285 -1.996 1.00 0.83 H new ATOM 0 HD2 LYS A 27 16.949 -7.682 -2.537 1.00 0.74 H new ATOM 0 HD3 LYS A 27 18.670 -7.901 -2.788 1.00 0.74 H new ATOM 0 HE2 LYS A 27 19.115 -7.191 -0.437 1.00 1.33 H new ATOM 0 HE3 LYS A 27 17.401 -6.933 -0.181 1.00 1.33 H new ATOM 0 HZ1 LYS A 27 18.111 -9.043 0.699 1.00 2.12 H new ATOM 0 HZ2 LYS A 27 17.017 -9.283 -0.577 1.00 2.12 H new ATOM 0 HZ3 LYS A 27 18.678 -9.533 -0.825 1.00 2.12 H new ATOM 196 N ALA A 28 15.589 -8.127 -4.529 1.00 0.44 N ATOM 197 CA ALA A 28 15.409 -9.526 -4.871 1.00 0.52 C ATOM 198 C ALA A 28 14.422 -9.640 -6.027 1.00 0.41 C ATOM 199 O ALA A 28 13.967 -10.735 -6.362 1.00 0.48 O ATOM 200 CB ALA A 28 14.904 -10.294 -3.655 1.00 0.70 C ATOM 0 H ALA A 28 14.939 -7.782 -3.822 1.00 0.44 H new ATOM 0 HA ALA A 28 16.363 -9.956 -5.178 1.00 0.52 H new ATOM 0 HB1 ALA A 28 14.771 -11.344 -3.917 1.00 0.70 H new ATOM 0 HB2 ALA A 28 15.629 -10.212 -2.846 1.00 0.70 H new ATOM 0 HB3 ALA A 28 13.950 -9.877 -3.331 1.00 0.70 H new ATOM 206 N GLU A 29 14.102 -8.464 -6.616 1.00 0.34 N ATOM 207 CA GLU A 29 13.200 -8.295 -7.757 1.00 0.38 C ATOM 208 C GLU A 29 11.768 -8.659 -7.351 1.00 0.40 C ATOM 209 O GLU A 29 10.925 -9.003 -8.194 1.00 0.55 O ATOM 210 CB GLU A 29 13.681 -9.132 -8.960 1.00 0.58 C ATOM 211 CG GLU A 29 15.134 -8.871 -9.351 1.00 1.38 C ATOM 212 CD GLU A 29 15.399 -7.429 -9.704 1.00 1.79 C ATOM 213 OE1 GLU A 29 15.654 -6.630 -8.801 1.00 2.59 O ATOM 214 OE2 GLU A 29 15.332 -7.080 -10.904 1.00 2.01 O ATOM 0 H GLU A 29 14.486 -7.577 -6.289 1.00 0.34 H new ATOM 0 HA GLU A 29 13.208 -7.250 -8.065 1.00 0.38 H new ATOM 0 HB2 GLU A 29 13.562 -10.190 -8.725 1.00 0.58 H new ATOM 0 HB3 GLU A 29 13.041 -8.921 -9.817 1.00 0.58 H new ATOM 0 HG2 GLU A 29 15.784 -9.163 -8.527 1.00 1.38 H new ATOM 0 HG3 GLU A 29 15.395 -9.501 -10.201 1.00 1.38 H new ATOM 221 N ILE A 30 11.479 -8.512 -6.066 1.00 0.39 N ATOM 222 CA ILE A 30 10.174 -8.885 -5.527 1.00 0.52 C ATOM 223 C ILE A 30 9.295 -7.655 -5.334 1.00 0.55 C ATOM 224 O ILE A 30 9.710 -6.675 -4.703 1.00 0.59 O ATOM 225 CB ILE A 30 10.279 -9.653 -4.179 1.00 0.63 C ATOM 226 CG1 ILE A 30 11.169 -10.898 -4.335 1.00 0.70 C ATOM 227 CG2 ILE A 30 8.881 -10.058 -3.700 1.00 0.80 C ATOM 228 CD1 ILE A 30 11.364 -11.680 -3.043 1.00 1.17 C ATOM 0 H ILE A 30 12.129 -8.137 -5.375 1.00 0.39 H new ATOM 0 HA ILE A 30 9.722 -9.553 -6.261 1.00 0.52 H new ATOM 0 HB ILE A 30 10.733 -8.997 -3.437 1.00 0.63 H new ATOM 0 HG12 ILE A 30 10.729 -11.556 -5.084 1.00 0.70 H new ATOM 0 HG13 ILE A 30 12.144 -10.591 -4.714 1.00 0.70 H new ATOM 0 HG21 ILE A 30 8.962 -10.596 -2.755 1.00 0.80 H new ATOM 0 HG22 ILE A 30 8.272 -9.165 -3.559 1.00 0.80 H new ATOM 0 HG23 ILE A 30 8.413 -10.702 -4.445 1.00 0.80 H new ATOM 0 HD11 ILE A 30 12.002 -12.543 -3.233 1.00 1.17 H new ATOM 0 HD12 ILE A 30 11.833 -11.039 -2.297 1.00 1.17 H new ATOM 0 HD13 ILE A 30 10.396 -12.019 -2.673 1.00 1.17 H new ATOM 240 N ARG A 31 8.080 -7.735 -5.859 1.00 0.64 N ATOM 241 CA ARG A 31 7.115 -6.650 -5.813 1.00 0.75 C ATOM 242 C ARG A 31 6.309 -6.688 -4.506 1.00 0.55 C ATOM 243 O ARG A 31 5.644 -7.675 -4.209 1.00 0.76 O ATOM 244 CB ARG A 31 6.128 -6.789 -6.984 1.00 1.35 C ATOM 245 CG ARG A 31 6.756 -6.802 -8.365 1.00 2.13 C ATOM 246 CD ARG A 31 5.689 -7.046 -9.423 1.00 2.61 C ATOM 247 NE ARG A 31 6.245 -7.149 -10.775 1.00 3.25 N ATOM 248 CZ ARG A 31 5.719 -7.895 -11.761 1.00 3.86 C ATOM 249 NH1 ARG A 31 4.608 -8.602 -11.546 1.00 3.95 N ATOM 250 NH2 ARG A 31 6.303 -7.932 -12.953 1.00 4.71 N ATOM 0 H ARG A 31 7.734 -8.568 -6.335 1.00 0.64 H new ATOM 0 HA ARG A 31 7.663 -5.710 -5.876 1.00 0.75 H new ATOM 0 HB2 ARG A 31 5.561 -7.711 -6.852 1.00 1.35 H new ATOM 0 HB3 ARG A 31 5.414 -5.966 -6.935 1.00 1.35 H new ATOM 0 HG2 ARG A 31 7.256 -5.852 -8.554 1.00 2.13 H new ATOM 0 HG3 ARG A 31 7.518 -7.580 -8.419 1.00 2.13 H new ATOM 0 HD2 ARG A 31 5.151 -7.964 -9.185 1.00 2.61 H new ATOM 0 HD3 ARG A 31 4.963 -6.234 -9.394 1.00 2.61 H new ATOM 0 HE ARG A 31 7.090 -6.617 -10.982 1.00 3.25 H new ATOM 0 HH11 ARG A 31 4.156 -8.577 -10.632 1.00 3.95 H new ATOM 0 HH12 ARG A 31 4.210 -9.168 -12.296 1.00 3.95 H new ATOM 0 HH21 ARG A 31 7.153 -7.393 -13.122 1.00 4.71 H new ATOM 0 HH22 ARG A 31 5.902 -8.499 -13.700 1.00 4.71 H new ATOM 264 N TYR A 32 6.380 -5.632 -3.754 1.00 0.47 N ATOM 265 CA TYR A 32 5.607 -5.473 -2.540 1.00 0.59 C ATOM 266 C TYR A 32 4.720 -4.251 -2.678 1.00 0.56 C ATOM 267 O TYR A 32 5.171 -3.210 -3.120 1.00 0.69 O ATOM 268 CB TYR A 32 6.538 -5.317 -1.318 1.00 0.84 C ATOM 269 CG TYR A 32 7.372 -6.549 -0.989 1.00 1.16 C ATOM 270 CD1 TYR A 32 6.845 -7.581 -0.219 1.00 1.70 C ATOM 271 CD2 TYR A 32 8.683 -6.675 -1.438 1.00 1.32 C ATOM 272 CE1 TYR A 32 7.594 -8.703 0.084 1.00 2.32 C ATOM 273 CE2 TYR A 32 9.440 -7.793 -1.132 1.00 1.86 C ATOM 274 CZ TYR A 32 8.888 -8.802 -0.370 1.00 2.34 C ATOM 275 OH TYR A 32 9.640 -9.919 -0.069 1.00 3.01 O ATOM 0 H TYR A 32 6.985 -4.837 -3.962 1.00 0.47 H new ATOM 0 HA TYR A 32 4.993 -6.360 -2.386 1.00 0.59 H new ATOM 0 HB2 TYR A 32 7.210 -4.477 -1.496 1.00 0.84 H new ATOM 0 HB3 TYR A 32 5.933 -5.062 -0.448 1.00 0.84 H new ATOM 0 HD1 TYR A 32 5.832 -7.504 0.149 1.00 1.70 H new ATOM 0 HD2 TYR A 32 9.117 -5.887 -2.035 1.00 1.32 H new ATOM 0 HE1 TYR A 32 7.164 -9.498 0.675 1.00 2.32 H new ATOM 0 HE2 TYR A 32 10.456 -7.875 -1.488 1.00 1.86 H new ATOM 0 HH TYR A 32 10.531 -9.830 -0.467 1.00 3.01 H new ATOM 285 N GLU A 33 3.471 -4.379 -2.330 1.00 0.53 N ATOM 286 CA GLU A 33 2.532 -3.282 -2.434 1.00 0.52 C ATOM 287 C GLU A 33 1.664 -3.348 -1.180 1.00 0.42 C ATOM 288 O GLU A 33 1.148 -4.429 -0.834 1.00 0.51 O ATOM 289 CB GLU A 33 1.690 -3.443 -3.737 1.00 0.74 C ATOM 290 CG GLU A 33 0.971 -2.178 -4.259 1.00 1.40 C ATOM 291 CD GLU A 33 -0.075 -1.597 -3.332 1.00 1.81 C ATOM 292 OE1 GLU A 33 -1.238 -2.020 -3.413 1.00 2.23 O ATOM 293 OE2 GLU A 33 0.279 -0.719 -2.520 1.00 2.45 O ATOM 0 H GLU A 33 3.069 -5.243 -1.966 1.00 0.53 H new ATOM 0 HA GLU A 33 3.025 -2.312 -2.496 1.00 0.52 H new ATOM 0 HB2 GLU A 33 2.348 -3.810 -4.525 1.00 0.74 H new ATOM 0 HB3 GLU A 33 0.939 -4.214 -3.564 1.00 0.74 H new ATOM 0 HG2 GLU A 33 1.720 -1.412 -4.460 1.00 1.40 H new ATOM 0 HG3 GLU A 33 0.496 -2.417 -5.211 1.00 1.40 H new ATOM 300 N GLY A 34 1.538 -2.248 -0.498 1.00 0.40 N ATOM 301 CA GLY A 34 0.813 -2.225 0.754 1.00 0.43 C ATOM 302 C GLY A 34 0.955 -0.906 1.421 1.00 0.36 C ATOM 303 O GLY A 34 1.409 0.046 0.790 1.00 0.45 O ATOM 0 H GLY A 34 1.926 -1.349 -0.782 1.00 0.40 H new ATOM 0 HA2 GLY A 34 -0.241 -2.434 0.573 1.00 0.43 H new ATOM 0 HA3 GLY A 34 1.186 -3.011 1.410 1.00 0.43 H new ATOM 307 N ILE A 35 0.602 -0.810 2.706 1.00 0.35 N ATOM 308 CA ILE A 35 0.651 0.461 3.308 1.00 0.39 C ATOM 309 C ILE A 35 1.937 0.763 4.050 1.00 0.40 C ATOM 310 O ILE A 35 2.342 0.062 4.993 1.00 0.61 O ATOM 311 CB ILE A 35 -0.617 0.903 4.103 1.00 0.49 C ATOM 312 CG1 ILE A 35 -0.971 0.016 5.338 1.00 0.69 C ATOM 313 CG2 ILE A 35 -1.806 1.020 3.161 1.00 0.79 C ATOM 314 CD1 ILE A 35 -1.467 -1.385 5.045 1.00 0.93 C ATOM 0 H ILE A 35 0.296 -1.579 3.302 1.00 0.35 H new ATOM 0 HA ILE A 35 0.649 1.107 2.430 1.00 0.39 H new ATOM 0 HB ILE A 35 -0.371 1.876 4.527 1.00 0.49 H new ATOM 0 HG12 ILE A 35 -0.085 -0.061 5.968 1.00 0.69 H new ATOM 0 HG13 ILE A 35 -1.733 0.532 5.922 1.00 0.69 H new ATOM 0 HG21 ILE A 35 -2.687 1.329 3.724 1.00 0.79 H new ATOM 0 HG22 ILE A 35 -1.589 1.761 2.391 1.00 0.79 H new ATOM 0 HG23 ILE A 35 -1.995 0.054 2.692 1.00 0.79 H new ATOM 0 HD11 ILE A 35 -1.679 -1.900 5.982 1.00 0.93 H new ATOM 0 HD12 ILE A 35 -2.377 -1.331 4.447 1.00 0.93 H new ATOM 0 HD13 ILE A 35 -0.703 -1.934 4.494 1.00 0.93 H new ATOM 326 N LEU A 36 2.588 1.781 3.576 1.00 0.33 N ATOM 327 CA LEU A 36 3.772 2.312 4.177 1.00 0.40 C ATOM 328 C LEU A 36 3.402 3.007 5.475 1.00 0.41 C ATOM 329 O LEU A 36 2.409 3.764 5.526 1.00 0.44 O ATOM 330 CB LEU A 36 4.470 3.268 3.179 1.00 0.56 C ATOM 331 CG LEU A 36 5.797 3.920 3.619 1.00 0.78 C ATOM 332 CD1 LEU A 36 6.504 4.439 2.405 1.00 1.55 C ATOM 333 CD2 LEU A 36 5.567 5.097 4.569 1.00 1.72 C ATOM 0 H LEU A 36 2.301 2.280 2.734 1.00 0.33 H new ATOM 0 HA LEU A 36 4.476 1.514 4.415 1.00 0.40 H new ATOM 0 HB2 LEU A 36 4.657 2.714 2.259 1.00 0.56 H new ATOM 0 HB3 LEU A 36 3.769 4.066 2.933 1.00 0.56 H new ATOM 0 HG LEU A 36 6.385 3.163 4.138 1.00 0.78 H new ATOM 0 HD11 LEU A 36 7.445 4.903 2.702 1.00 1.55 H new ATOM 0 HD12 LEU A 36 6.706 3.614 1.721 1.00 1.55 H new ATOM 0 HD13 LEU A 36 5.877 5.178 1.907 1.00 1.55 H new ATOM 0 HD21 LEU A 36 6.527 5.527 4.854 1.00 1.72 H new ATOM 0 HD22 LEU A 36 4.964 5.855 4.070 1.00 1.72 H new ATOM 0 HD23 LEU A 36 5.046 4.748 5.461 1.00 1.72 H new ATOM 345 N TYR A 37 4.189 2.753 6.506 1.00 0.44 N ATOM 346 CA TYR A 37 3.926 3.307 7.807 1.00 0.50 C ATOM 347 C TYR A 37 4.911 4.431 8.154 1.00 0.52 C ATOM 348 O TYR A 37 4.509 5.474 8.666 1.00 0.64 O ATOM 349 CB TYR A 37 3.974 2.195 8.856 1.00 0.59 C ATOM 350 CG TYR A 37 3.610 2.614 10.269 1.00 0.68 C ATOM 351 CD1 TYR A 37 2.294 2.840 10.623 1.00 0.77 C ATOM 352 CD2 TYR A 37 4.590 2.750 11.257 1.00 0.78 C ATOM 353 CE1 TYR A 37 1.948 3.198 11.902 1.00 0.91 C ATOM 354 CE2 TYR A 37 4.250 3.113 12.547 1.00 0.91 C ATOM 355 CZ TYR A 37 2.922 3.337 12.861 1.00 0.95 C ATOM 356 OH TYR A 37 2.571 3.684 14.141 1.00 1.11 O ATOM 0 H TYR A 37 5.019 2.162 6.458 1.00 0.44 H new ATOM 0 HA TYR A 37 2.930 3.749 7.798 1.00 0.50 H new ATOM 0 HB2 TYR A 37 3.298 1.398 8.546 1.00 0.59 H new ATOM 0 HB3 TYR A 37 4.979 1.774 8.868 1.00 0.59 H new ATOM 0 HD1 TYR A 37 1.520 2.733 9.877 1.00 0.77 H new ATOM 0 HD2 TYR A 37 5.626 2.569 11.009 1.00 0.78 H new ATOM 0 HE1 TYR A 37 0.912 3.370 12.154 1.00 0.91 H new ATOM 0 HE2 TYR A 37 5.014 3.221 13.302 1.00 0.91 H new ATOM 0 HH TYR A 37 3.376 3.740 14.697 1.00 1.11 H new ATOM 366 N THR A 38 6.193 4.214 7.899 1.00 0.49 N ATOM 367 CA THR A 38 7.215 5.196 8.228 1.00 0.56 C ATOM 368 C THR A 38 8.463 4.990 7.330 1.00 0.56 C ATOM 369 O THR A 38 8.700 3.891 6.825 1.00 0.52 O ATOM 370 CB THR A 38 7.622 5.077 9.749 1.00 0.66 C ATOM 371 OG1 THR A 38 6.465 5.215 10.579 1.00 0.82 O ATOM 372 CG2 THR A 38 8.621 6.153 10.159 1.00 0.94 C ATOM 0 H THR A 38 6.551 3.364 7.464 1.00 0.49 H new ATOM 0 HA THR A 38 6.809 6.192 8.050 1.00 0.56 H new ATOM 0 HB THR A 38 8.081 4.097 9.876 1.00 0.66 H new ATOM 0 HG1 THR A 38 6.020 4.346 10.667 1.00 0.82 H new ATOM 0 HG21 THR A 38 8.873 6.033 11.213 1.00 0.94 H new ATOM 0 HG22 THR A 38 9.525 6.059 9.557 1.00 0.94 H new ATOM 0 HG23 THR A 38 8.181 7.138 10.001 1.00 0.94 H new ATOM 380 N ILE A 39 9.220 6.053 7.117 1.00 0.72 N ATOM 381 CA ILE A 39 10.453 5.996 6.361 1.00 0.79 C ATOM 382 C ILE A 39 11.547 6.576 7.218 1.00 1.01 C ATOM 383 O ILE A 39 11.352 7.623 7.856 1.00 1.31 O ATOM 384 CB ILE A 39 10.373 6.832 5.045 1.00 1.02 C ATOM 385 CG1 ILE A 39 9.279 6.301 4.128 1.00 1.15 C ATOM 386 CG2 ILE A 39 11.716 6.827 4.305 1.00 1.13 C ATOM 387 CD1 ILE A 39 9.067 7.148 2.884 1.00 1.45 C ATOM 0 H ILE A 39 8.992 6.984 7.467 1.00 0.72 H new ATOM 0 HA ILE A 39 10.644 4.957 6.092 1.00 0.79 H new ATOM 0 HB ILE A 39 10.132 7.858 5.324 1.00 1.02 H new ATOM 0 HG12 ILE A 39 9.530 5.284 3.827 1.00 1.15 H new ATOM 0 HG13 ILE A 39 8.344 6.247 4.685 1.00 1.15 H new ATOM 0 HG21 ILE A 39 11.631 7.417 3.392 1.00 1.13 H new ATOM 0 HG22 ILE A 39 12.486 7.258 4.945 1.00 1.13 H new ATOM 0 HG23 ILE A 39 11.987 5.802 4.051 1.00 1.13 H new ATOM 0 HD11 ILE A 39 8.274 6.711 2.277 1.00 1.45 H new ATOM 0 HD12 ILE A 39 8.785 8.160 3.176 1.00 1.45 H new ATOM 0 HD13 ILE A 39 9.990 7.182 2.305 1.00 1.45 H new ATOM 399 N ASP A 40 12.660 5.906 7.267 1.00 0.96 N ATOM 400 CA ASP A 40 13.804 6.407 7.972 1.00 1.24 C ATOM 401 C ASP A 40 14.667 7.118 6.960 1.00 1.25 C ATOM 402 O ASP A 40 15.368 6.498 6.195 1.00 1.13 O ATOM 403 CB ASP A 40 14.574 5.266 8.632 1.00 1.31 C ATOM 404 CG ASP A 40 15.798 5.702 9.392 1.00 2.02 C ATOM 405 OD1 ASP A 40 16.813 6.034 8.763 1.00 2.56 O ATOM 406 OD2 ASP A 40 15.772 5.668 10.625 1.00 2.48 O ATOM 0 H ASP A 40 12.801 5.000 6.821 1.00 0.96 H new ATOM 0 HA ASP A 40 13.500 7.088 8.767 1.00 1.24 H new ATOM 0 HB2 ASP A 40 13.906 4.739 9.314 1.00 1.31 H new ATOM 0 HB3 ASP A 40 14.873 4.553 7.864 1.00 1.31 H new ATOM 411 N THR A 41 14.547 8.415 6.907 1.00 1.54 N ATOM 412 CA THR A 41 15.250 9.231 5.925 1.00 1.72 C ATOM 413 C THR A 41 16.791 9.231 6.140 1.00 1.69 C ATOM 414 O THR A 41 17.561 9.568 5.242 1.00 1.85 O ATOM 415 CB THR A 41 14.664 10.675 5.957 1.00 2.15 C ATOM 416 OG1 THR A 41 13.245 10.586 5.771 1.00 2.76 O ATOM 417 CG2 THR A 41 15.249 11.557 4.846 1.00 2.54 C ATOM 0 H THR A 41 13.957 8.951 7.544 1.00 1.54 H new ATOM 0 HA THR A 41 15.093 8.796 4.938 1.00 1.72 H new ATOM 0 HB THR A 41 14.919 11.128 6.915 1.00 2.15 H new ATOM 0 HG1 THR A 41 12.856 11.485 5.790 1.00 2.76 H new ATOM 0 HG21 THR A 41 14.813 12.554 4.906 1.00 2.54 H new ATOM 0 HG22 THR A 41 16.330 11.626 4.967 1.00 2.54 H new ATOM 0 HG23 THR A 41 15.020 11.118 3.875 1.00 2.54 H new ATOM 425 N GLU A 42 17.213 8.800 7.298 1.00 1.61 N ATOM 426 CA GLU A 42 18.609 8.781 7.666 1.00 1.64 C ATOM 427 C GLU A 42 19.335 7.613 6.942 1.00 1.37 C ATOM 428 O GLU A 42 20.425 7.782 6.366 1.00 1.56 O ATOM 429 CB GLU A 42 18.685 8.655 9.186 1.00 1.77 C ATOM 430 CG GLU A 42 20.078 8.609 9.780 1.00 2.30 C ATOM 431 CD GLU A 42 20.025 8.613 11.288 1.00 2.79 C ATOM 432 OE1 GLU A 42 19.724 7.556 11.881 1.00 3.22 O ATOM 433 OE2 GLU A 42 20.237 9.696 11.895 1.00 3.21 O ATOM 0 H GLU A 42 16.591 8.447 8.025 1.00 1.61 H new ATOM 0 HA GLU A 42 19.112 9.698 7.359 1.00 1.64 H new ATOM 0 HB2 GLU A 42 18.151 9.496 9.628 1.00 1.77 H new ATOM 0 HB3 GLU A 42 18.155 7.750 9.483 1.00 1.77 H new ATOM 0 HG2 GLU A 42 20.595 7.714 9.433 1.00 2.30 H new ATOM 0 HG3 GLU A 42 20.654 9.466 9.431 1.00 2.30 H new ATOM 440 N ASN A 43 18.713 6.447 6.967 1.00 1.11 N ATOM 441 CA ASN A 43 19.242 5.223 6.330 1.00 1.14 C ATOM 442 C ASN A 43 18.509 4.944 5.041 1.00 1.21 C ATOM 443 O ASN A 43 18.867 4.029 4.294 1.00 1.44 O ATOM 444 CB ASN A 43 19.067 4.042 7.282 1.00 1.24 C ATOM 445 CG ASN A 43 19.842 4.199 8.571 1.00 1.60 C ATOM 446 OD1 ASN A 43 20.983 3.756 8.675 1.00 2.01 O ATOM 447 ND2 ASN A 43 19.246 4.843 9.549 1.00 2.26 N ATOM 0 H ASN A 43 17.816 6.307 7.432 1.00 1.11 H new ATOM 0 HA ASN A 43 20.300 5.367 6.109 1.00 1.14 H new ATOM 0 HB2 ASN A 43 18.009 3.924 7.514 1.00 1.24 H new ATOM 0 HB3 ASN A 43 19.388 3.129 6.781 1.00 1.24 H new ATOM 0 HD21 ASN A 43 19.732 4.990 10.434 1.00 2.26 H new ATOM 0 HD22 ASN A 43 18.297 5.196 9.424 1.00 2.26 H new ATOM 454 N SER A 44 17.478 5.745 4.791 1.00 1.16 N ATOM 455 CA SER A 44 16.602 5.654 3.614 1.00 1.40 C ATOM 456 C SER A 44 15.743 4.366 3.650 1.00 1.17 C ATOM 457 O SER A 44 15.174 3.968 2.645 1.00 1.36 O ATOM 458 CB SER A 44 17.423 5.743 2.317 1.00 1.82 C ATOM 459 OG SER A 44 18.188 6.943 2.279 1.00 2.28 O ATOM 0 H SER A 44 17.215 6.504 5.420 1.00 1.16 H new ATOM 0 HA SER A 44 15.917 6.502 3.637 1.00 1.40 H new ATOM 0 HB2 SER A 44 18.087 4.882 2.243 1.00 1.82 H new ATOM 0 HB3 SER A 44 16.755 5.706 1.456 1.00 1.82 H new ATOM 0 HG SER A 44 18.703 6.976 1.446 1.00 2.28 H new ATOM 465 N THR A 45 15.600 3.785 4.834 1.00 0.90 N ATOM 466 CA THR A 45 14.900 2.529 4.984 1.00 0.79 C ATOM 467 C THR A 45 13.383 2.733 4.976 1.00 0.71 C ATOM 468 O THR A 45 12.872 3.758 5.452 1.00 0.86 O ATOM 469 CB THR A 45 15.334 1.778 6.263 1.00 0.92 C ATOM 470 OG1 THR A 45 15.064 2.564 7.408 1.00 1.10 O ATOM 471 CG2 THR A 45 16.817 1.477 6.227 1.00 1.21 C ATOM 0 H THR A 45 15.964 4.171 5.705 1.00 0.90 H new ATOM 0 HA THR A 45 15.170 1.913 4.126 1.00 0.79 H new ATOM 0 HB THR A 45 14.772 0.845 6.310 1.00 0.92 H new ATOM 0 HG1 THR A 45 15.908 2.872 7.800 1.00 1.10 H new ATOM 0 HG21 THR A 45 17.103 0.948 7.136 1.00 1.21 H new ATOM 0 HG22 THR A 45 17.041 0.856 5.360 1.00 1.21 H new ATOM 0 HG23 THR A 45 17.376 2.410 6.159 1.00 1.21 H new ATOM 479 N VAL A 46 12.673 1.769 4.439 1.00 0.55 N ATOM 480 CA VAL A 46 11.229 1.859 4.318 1.00 0.53 C ATOM 481 C VAL A 46 10.566 0.850 5.241 1.00 0.46 C ATOM 482 O VAL A 46 10.907 -0.342 5.220 1.00 0.56 O ATOM 483 CB VAL A 46 10.761 1.619 2.852 1.00 0.65 C ATOM 484 CG1 VAL A 46 9.232 1.690 2.739 1.00 0.88 C ATOM 485 CG2 VAL A 46 11.418 2.633 1.916 1.00 0.70 C ATOM 0 H VAL A 46 13.072 0.904 4.075 1.00 0.55 H new ATOM 0 HA VAL A 46 10.933 2.868 4.605 1.00 0.53 H new ATOM 0 HB VAL A 46 11.070 0.616 2.556 1.00 0.65 H new ATOM 0 HG11 VAL A 46 8.935 1.519 1.704 1.00 0.88 H new ATOM 0 HG12 VAL A 46 8.784 0.927 3.376 1.00 0.88 H new ATOM 0 HG13 VAL A 46 8.889 2.675 3.056 1.00 0.88 H new ATOM 0 HG21 VAL A 46 11.083 2.455 0.894 1.00 0.70 H new ATOM 0 HG22 VAL A 46 11.139 3.642 2.219 1.00 0.70 H new ATOM 0 HG23 VAL A 46 12.502 2.526 1.967 1.00 0.70 H new ATOM 495 N ALA A 47 9.644 1.328 6.060 1.00 0.46 N ATOM 496 CA ALA A 47 8.931 0.477 6.981 1.00 0.47 C ATOM 497 C ALA A 47 7.496 0.278 6.516 1.00 0.42 C ATOM 498 O ALA A 47 6.684 1.233 6.490 1.00 0.40 O ATOM 499 CB ALA A 47 8.964 1.074 8.382 1.00 0.51 C ATOM 0 H ALA A 47 9.374 2.311 6.101 1.00 0.46 H new ATOM 0 HA ALA A 47 9.420 -0.497 7.009 1.00 0.47 H new ATOM 0 HB1 ALA A 47 8.423 0.423 9.068 1.00 0.51 H new ATOM 0 HB2 ALA A 47 9.998 1.170 8.713 1.00 0.51 H new ATOM 0 HB3 ALA A 47 8.495 2.058 8.369 1.00 0.51 H new ATOM 505 N LEU A 48 7.180 -0.946 6.144 1.00 0.49 N ATOM 506 CA LEU A 48 5.850 -1.290 5.697 1.00 0.55 C ATOM 507 C LEU A 48 5.105 -1.948 6.822 1.00 0.55 C ATOM 508 O LEU A 48 5.650 -2.813 7.512 1.00 0.66 O ATOM 509 CB LEU A 48 5.909 -2.274 4.540 1.00 0.77 C ATOM 510 CG LEU A 48 6.549 -1.817 3.245 1.00 1.04 C ATOM 511 CD1 LEU A 48 6.565 -2.984 2.291 1.00 1.75 C ATOM 512 CD2 LEU A 48 5.771 -0.655 2.635 1.00 1.48 C ATOM 0 H LEU A 48 7.837 -1.726 6.144 1.00 0.49 H new ATOM 0 HA LEU A 48 5.350 -0.376 5.376 1.00 0.55 H new ATOM 0 HB2 LEU A 48 6.445 -3.159 4.882 1.00 0.77 H new ATOM 0 HB3 LEU A 48 4.889 -2.586 4.316 1.00 0.77 H new ATOM 0 HG LEU A 48 7.564 -1.471 3.441 1.00 1.04 H new ATOM 0 HD11 LEU A 48 7.022 -2.678 1.350 1.00 1.75 H new ATOM 0 HD12 LEU A 48 7.141 -3.801 2.725 1.00 1.75 H new ATOM 0 HD13 LEU A 48 5.544 -3.317 2.107 1.00 1.75 H new ATOM 0 HD21 LEU A 48 6.250 -0.344 1.706 1.00 1.48 H new ATOM 0 HD22 LEU A 48 4.748 -0.970 2.428 1.00 1.48 H new ATOM 0 HD23 LEU A 48 5.758 0.181 3.334 1.00 1.48 H new ATOM 524 N ALA A 49 3.872 -1.570 6.994 1.00 0.54 N ATOM 525 CA ALA A 49 3.067 -2.127 8.023 1.00 0.59 C ATOM 526 C ALA A 49 1.808 -2.665 7.431 1.00 0.53 C ATOM 527 O ALA A 49 1.040 -1.931 6.848 1.00 0.69 O ATOM 528 CB ALA A 49 2.757 -1.103 9.099 1.00 0.76 C ATOM 0 H ALA A 49 3.403 -0.867 6.422 1.00 0.54 H new ATOM 0 HA ALA A 49 3.620 -2.938 8.496 1.00 0.59 H new ATOM 0 HB1 ALA A 49 2.139 -1.562 9.871 1.00 0.76 H new ATOM 0 HB2 ALA A 49 3.687 -0.748 9.542 1.00 0.76 H new ATOM 0 HB3 ALA A 49 2.221 -0.263 8.658 1.00 0.76 H new ATOM 534 N LYS A 50 1.631 -3.968 7.574 1.00 0.55 N ATOM 535 CA LYS A 50 0.450 -4.696 7.109 1.00 0.70 C ATOM 536 C LYS A 50 0.384 -4.640 5.601 1.00 0.60 C ATOM 537 O LYS A 50 -0.688 -4.570 5.023 1.00 0.74 O ATOM 538 CB LYS A 50 -0.839 -4.120 7.736 1.00 0.98 C ATOM 539 CG LYS A 50 -0.709 -3.885 9.222 1.00 1.44 C ATOM 540 CD LYS A 50 -1.996 -3.392 9.880 1.00 1.95 C ATOM 541 CE LYS A 50 -3.101 -4.437 9.813 1.00 2.92 C ATOM 542 NZ LYS A 50 -2.725 -5.699 10.512 1.00 3.63 N ATOM 0 H LYS A 50 2.319 -4.569 8.028 1.00 0.55 H new ATOM 0 HA LYS A 50 0.531 -5.736 7.424 1.00 0.70 H new ATOM 0 HB2 LYS A 50 -1.089 -3.180 7.244 1.00 0.98 H new ATOM 0 HB3 LYS A 50 -1.666 -4.806 7.552 1.00 0.98 H new ATOM 0 HG2 LYS A 50 -0.398 -4.813 9.702 1.00 1.44 H new ATOM 0 HG3 LYS A 50 0.081 -3.155 9.398 1.00 1.44 H new ATOM 0 HD2 LYS A 50 -1.798 -3.139 10.921 1.00 1.95 H new ATOM 0 HD3 LYS A 50 -2.329 -2.478 9.388 1.00 1.95 H new ATOM 0 HE2 LYS A 50 -4.009 -4.032 10.260 1.00 2.92 H new ATOM 0 HE3 LYS A 50 -3.329 -4.656 8.770 1.00 2.92 H new ATOM 0 HZ1 LYS A 50 -3.525 -6.363 10.485 1.00 3.63 H new ATOM 0 HZ2 LYS A 50 -1.904 -6.127 10.038 1.00 3.63 H new ATOM 0 HZ3 LYS A 50 -2.483 -5.489 11.501 1.00 3.63 H new ATOM 556 N VAL A 51 1.554 -4.736 4.967 1.00 0.64 N ATOM 557 CA VAL A 51 1.635 -4.715 3.533 1.00 0.54 C ATOM 558 C VAL A 51 0.962 -5.981 2.974 1.00 0.72 C ATOM 559 O VAL A 51 1.404 -7.116 3.226 1.00 1.07 O ATOM 560 CB VAL A 51 3.150 -4.640 3.085 1.00 0.78 C ATOM 561 CG1 VAL A 51 3.998 -5.730 3.748 1.00 1.52 C ATOM 562 CG2 VAL A 51 3.300 -4.734 1.573 1.00 1.44 C ATOM 0 H VAL A 51 2.453 -4.829 5.440 1.00 0.64 H new ATOM 0 HA VAL A 51 1.119 -3.838 3.142 1.00 0.54 H new ATOM 0 HB VAL A 51 3.513 -3.666 3.414 1.00 0.78 H new ATOM 0 HG11 VAL A 51 5.031 -5.642 3.412 1.00 1.52 H new ATOM 0 HG12 VAL A 51 3.957 -5.614 4.831 1.00 1.52 H new ATOM 0 HG13 VAL A 51 3.610 -6.711 3.473 1.00 1.52 H new ATOM 0 HG21 VAL A 51 4.356 -4.678 1.308 1.00 1.44 H new ATOM 0 HG22 VAL A 51 2.888 -5.681 1.225 1.00 1.44 H new ATOM 0 HG23 VAL A 51 2.764 -3.910 1.102 1.00 1.44 H new ATOM 572 N ARG A 52 -0.123 -5.785 2.260 1.00 0.93 N ATOM 573 CA ARG A 52 -0.867 -6.882 1.690 1.00 1.36 C ATOM 574 C ARG A 52 -1.893 -6.325 0.717 1.00 1.77 C ATOM 575 O ARG A 52 -2.979 -5.899 1.125 1.00 2.15 O ATOM 576 CB ARG A 52 -1.564 -7.685 2.815 1.00 1.98 C ATOM 577 CG ARG A 52 -2.118 -9.046 2.410 1.00 2.57 C ATOM 578 CD ARG A 52 -1.010 -9.928 1.838 1.00 3.14 C ATOM 579 NE ARG A 52 -1.438 -11.321 1.686 1.00 3.81 N ATOM 580 CZ ARG A 52 -1.225 -12.107 0.634 1.00 4.54 C ATOM 581 NH1 ARG A 52 -0.701 -11.613 -0.486 1.00 4.84 N ATOM 582 NH2 ARG A 52 -1.550 -13.389 0.717 1.00 5.32 N ATOM 0 H ARG A 52 -0.512 -4.864 2.059 1.00 0.93 H new ATOM 0 HA ARG A 52 -0.193 -7.554 1.158 1.00 1.36 H new ATOM 0 HB2 ARG A 52 -0.852 -7.830 3.627 1.00 1.98 H new ATOM 0 HB3 ARG A 52 -2.382 -7.084 3.212 1.00 1.98 H new ATOM 0 HG2 ARG A 52 -2.568 -9.533 3.275 1.00 2.57 H new ATOM 0 HG3 ARG A 52 -2.907 -8.918 1.669 1.00 2.57 H new ATOM 0 HD2 ARG A 52 -0.700 -9.537 0.869 1.00 3.14 H new ATOM 0 HD3 ARG A 52 -0.139 -9.886 2.493 1.00 3.14 H new ATOM 0 HE ARG A 52 -1.952 -11.730 2.467 1.00 3.81 H new ATOM 0 HH11 ARG A 52 -0.459 -10.624 -0.543 1.00 4.84 H new ATOM 0 HH12 ARG A 52 -0.542 -12.224 -1.287 1.00 4.84 H new ATOM 0 HH21 ARG A 52 -1.956 -13.758 1.577 1.00 5.32 H new ATOM 0 HH22 ARG A 52 -1.394 -14.007 -0.079 1.00 5.32 H new ATOM 596 N SER A 53 -1.550 -6.261 -0.529 1.00 2.22 N ATOM 597 CA SER A 53 -2.456 -5.724 -1.492 1.00 2.91 C ATOM 598 C SER A 53 -3.276 -6.850 -2.102 1.00 3.21 C ATOM 599 O SER A 53 -2.759 -7.632 -2.907 1.00 3.47 O ATOM 600 CB SER A 53 -1.693 -4.960 -2.570 1.00 3.72 C ATOM 601 OG SER A 53 -2.575 -4.252 -3.420 1.00 4.00 O ATOM 0 H SER A 53 -0.653 -6.572 -0.903 1.00 2.22 H new ATOM 0 HA SER A 53 -3.132 -5.025 -1.001 1.00 2.91 H new ATOM 0 HB2 SER A 53 -0.998 -4.263 -2.102 1.00 3.72 H new ATOM 0 HB3 SER A 53 -1.097 -5.657 -3.160 1.00 3.72 H new ATOM 0 HG SER A 53 -2.373 -3.294 -3.377 1.00 4.00 H new ATOM 607 N PHE A 54 -4.538 -6.966 -1.655 1.00 3.60 N ATOM 608 CA PHE A 54 -5.487 -7.964 -2.150 1.00 4.15 C ATOM 609 C PHE A 54 -6.824 -7.792 -1.376 1.00 4.64 C ATOM 610 O PHE A 54 -7.553 -8.737 -1.150 1.00 5.36 O ATOM 611 CB PHE A 54 -4.902 -9.396 -1.934 1.00 4.85 C ATOM 612 CG PHE A 54 -5.676 -10.500 -2.608 1.00 5.25 C ATOM 613 CD1 PHE A 54 -5.749 -10.578 -3.991 1.00 5.62 C ATOM 614 CD2 PHE A 54 -6.350 -11.436 -1.851 1.00 5.67 C ATOM 615 CE1 PHE A 54 -6.469 -11.580 -4.605 1.00 6.37 C ATOM 616 CE2 PHE A 54 -7.077 -12.444 -2.455 1.00 6.40 C ATOM 617 CZ PHE A 54 -7.067 -12.547 -3.861 1.00 6.75 C ATOM 0 H PHE A 54 -4.927 -6.361 -0.932 1.00 3.60 H new ATOM 0 HA PHE A 54 -5.665 -7.828 -3.217 1.00 4.15 H new ATOM 0 HB2 PHE A 54 -3.876 -9.414 -2.301 1.00 4.85 H new ATOM 0 HB3 PHE A 54 -4.862 -9.600 -0.864 1.00 4.85 H new ATOM 0 HD1 PHE A 54 -5.235 -9.844 -4.594 1.00 5.62 H new ATOM 0 HD2 PHE A 54 -6.309 -11.380 -0.773 1.00 5.67 H new ATOM 0 HE1 PHE A 54 -6.558 -11.597 -5.681 1.00 6.37 H new ATOM 0 HE2 PHE A 54 -7.645 -13.143 -1.859 1.00 6.40 H new ATOM 0 HZ PHE A 54 -7.533 -13.392 -4.345 1.00 6.75 H new ATOM 627 N GLY A 55 -7.141 -6.552 -1.007 1.00 4.55 N ATOM 628 CA GLY A 55 -8.332 -6.311 -0.253 1.00 5.26 C ATOM 629 C GLY A 55 -9.587 -6.382 -1.092 1.00 5.56 C ATOM 630 O GLY A 55 -10.298 -7.363 -1.022 1.00 5.90 O ATOM 0 H GLY A 55 -6.588 -5.722 -1.222 1.00 4.55 H new ATOM 0 HA2 GLY A 55 -8.399 -7.041 0.553 1.00 5.26 H new ATOM 0 HA3 GLY A 55 -8.268 -5.327 0.212 1.00 5.26 H new ATOM 634 N THR A 56 -9.817 -5.335 -1.900 1.00 5.65 N ATOM 635 CA THR A 56 -11.029 -5.143 -2.710 1.00 6.13 C ATOM 636 C THR A 56 -12.385 -5.229 -1.943 1.00 6.59 C ATOM 637 O THR A 56 -12.723 -6.223 -1.365 1.00 7.05 O ATOM 638 CB THR A 56 -11.007 -5.860 -4.094 1.00 6.49 C ATOM 639 OG1 THR A 56 -10.187 -7.030 -4.058 1.00 6.69 O ATOM 640 CG2 THR A 56 -10.544 -4.948 -5.220 1.00 6.70 C ATOM 0 H THR A 56 -9.144 -4.576 -2.011 1.00 5.65 H new ATOM 0 HA THR A 56 -10.979 -4.084 -2.964 1.00 6.13 H new ATOM 0 HB THR A 56 -12.038 -6.147 -4.300 1.00 6.49 H new ATOM 0 HG1 THR A 56 -10.751 -7.821 -3.925 1.00 6.69 H new ATOM 0 HG21 THR A 56 -10.548 -5.500 -6.160 1.00 6.70 H new ATOM 0 HG22 THR A 56 -11.217 -4.094 -5.297 1.00 6.70 H new ATOM 0 HG23 THR A 56 -9.534 -4.596 -5.011 1.00 6.70 H new ATOM 648 N GLU A 57 -13.117 -4.113 -1.921 1.00 6.75 N ATOM 649 CA GLU A 57 -14.437 -4.092 -1.274 1.00 7.40 C ATOM 650 C GLU A 57 -15.566 -4.319 -2.305 1.00 8.18 C ATOM 651 O GLU A 57 -15.857 -5.455 -2.683 1.00 8.38 O ATOM 652 CB GLU A 57 -14.666 -2.801 -0.523 1.00 7.59 C ATOM 653 CG GLU A 57 -13.590 -2.455 0.480 1.00 7.33 C ATOM 654 CD GLU A 57 -13.428 -3.458 1.573 1.00 7.60 C ATOM 655 OE1 GLU A 57 -14.112 -3.339 2.604 1.00 7.63 O ATOM 656 OE2 GLU A 57 -12.593 -4.359 1.411 1.00 8.03 O ATOM 0 H GLU A 57 -12.828 -3.226 -2.334 1.00 6.75 H new ATOM 0 HA GLU A 57 -14.456 -4.910 -0.554 1.00 7.40 H new ATOM 0 HB2 GLU A 57 -14.748 -1.987 -1.243 1.00 7.59 H new ATOM 0 HB3 GLU A 57 -15.622 -2.864 -0.003 1.00 7.59 H new ATOM 0 HG2 GLU A 57 -12.640 -2.349 -0.045 1.00 7.33 H new ATOM 0 HG3 GLU A 57 -13.819 -1.486 0.923 1.00 7.33 H new ATOM 663 N ASP A 58 -16.163 -3.212 -2.805 1.00 8.77 N ATOM 664 CA ASP A 58 -17.188 -3.273 -3.899 1.00 9.67 C ATOM 665 C ASP A 58 -16.488 -3.483 -5.219 1.00 9.51 C ATOM 666 O ASP A 58 -17.099 -3.751 -6.249 1.00 10.10 O ATOM 667 CB ASP A 58 -18.005 -1.968 -4.003 1.00 10.59 C ATOM 668 CG ASP A 58 -18.829 -1.625 -2.797 1.00 11.21 C ATOM 669 OD1 ASP A 58 -20.004 -2.043 -2.736 1.00 11.70 O ATOM 670 OD2 ASP A 58 -18.340 -0.889 -1.940 1.00 11.40 O ATOM 0 H ASP A 58 -15.961 -2.267 -2.478 1.00 8.77 H new ATOM 0 HA ASP A 58 -17.866 -4.094 -3.665 1.00 9.67 H new ATOM 0 HB2 ASP A 58 -17.318 -1.144 -4.199 1.00 10.59 H new ATOM 0 HB3 ASP A 58 -18.668 -2.042 -4.865 1.00 10.59 H new ATOM 675 N ARG A 59 -15.196 -3.342 -5.167 1.00 8.84 N ATOM 676 CA ARG A 59 -14.328 -3.501 -6.296 1.00 8.83 C ATOM 677 C ARG A 59 -13.850 -4.939 -6.247 1.00 8.12 C ATOM 678 O ARG A 59 -13.991 -5.505 -5.201 1.00 7.53 O ATOM 679 CB ARG A 59 -13.140 -2.566 -6.126 1.00 8.99 C ATOM 680 CG ARG A 59 -13.523 -1.088 -5.927 1.00 9.86 C ATOM 681 CD ARG A 59 -12.320 -0.154 -6.094 1.00 10.46 C ATOM 682 NE ARG A 59 -11.837 -0.161 -7.486 1.00 10.90 N ATOM 683 CZ ARG A 59 -10.598 0.179 -7.897 1.00 11.61 C ATOM 684 NH1 ARG A 59 -9.676 0.599 -7.014 1.00 11.96 N ATOM 685 NH2 ARG A 59 -10.293 0.110 -9.190 1.00 12.15 N ATOM 0 H ARG A 59 -14.701 -3.105 -4.307 1.00 8.84 H new ATOM 0 HA ARG A 59 -14.825 -3.275 -7.240 1.00 8.83 H new ATOM 0 HB2 ARG A 59 -12.552 -2.896 -5.269 1.00 8.99 H new ATOM 0 HB3 ARG A 59 -12.499 -2.648 -7.003 1.00 8.99 H new ATOM 0 HG2 ARG A 59 -14.296 -0.814 -6.645 1.00 9.86 H new ATOM 0 HG3 ARG A 59 -13.950 -0.955 -4.933 1.00 9.86 H new ATOM 0 HD2 ARG A 59 -12.599 0.860 -5.807 1.00 10.46 H new ATOM 0 HD3 ARG A 59 -11.518 -0.465 -5.425 1.00 10.46 H new ATOM 0 HE ARG A 59 -12.501 -0.449 -8.205 1.00 10.90 H new ATOM 0 HH11 ARG A 59 -9.910 0.663 -6.023 1.00 11.96 H new ATOM 0 HH12 ARG A 59 -8.742 0.854 -7.334 1.00 11.96 H new ATOM 0 HH21 ARG A 59 -10.994 -0.198 -9.864 1.00 12.15 H new ATOM 0 HH22 ARG A 59 -9.358 0.366 -9.508 1.00 12.15 H new ATOM 699 N PRO A 60 -13.217 -5.497 -7.367 1.00 8.32 N ATOM 700 CA PRO A 60 -12.744 -6.901 -7.595 1.00 7.97 C ATOM 701 C PRO A 60 -12.887 -8.069 -6.578 1.00 7.54 C ATOM 702 O PRO A 60 -12.678 -9.223 -6.961 1.00 7.87 O ATOM 703 CB PRO A 60 -11.365 -6.724 -8.182 1.00 8.71 C ATOM 704 CG PRO A 60 -11.461 -5.386 -8.915 1.00 9.32 C ATOM 705 CD PRO A 60 -12.842 -4.774 -8.587 1.00 9.13 C ATOM 0 HA PRO A 60 -13.508 -7.358 -8.224 1.00 7.97 H new ATOM 0 HB2 PRO A 60 -10.598 -6.704 -7.408 1.00 8.71 H new ATOM 0 HB3 PRO A 60 -11.110 -7.537 -8.862 1.00 8.71 H new ATOM 0 HG2 PRO A 60 -10.660 -4.717 -8.599 1.00 9.32 H new ATOM 0 HG3 PRO A 60 -11.351 -5.529 -9.990 1.00 9.32 H new ATOM 0 HD2 PRO A 60 -12.782 -3.698 -8.421 1.00 9.13 H new ATOM 0 HD3 PRO A 60 -13.560 -4.933 -9.392 1.00 9.13 H new ATOM 713 N THR A 61 -13.192 -7.807 -5.366 1.00 7.06 N ATOM 714 CA THR A 61 -13.534 -8.841 -4.448 1.00 6.93 C ATOM 715 C THR A 61 -15.013 -9.215 -4.593 1.00 7.37 C ATOM 716 O THR A 61 -15.383 -10.410 -4.528 1.00 7.57 O ATOM 717 CB THR A 61 -13.218 -8.416 -3.028 1.00 6.40 C ATOM 718 OG1 THR A 61 -11.834 -8.578 -2.776 1.00 6.63 O ATOM 719 CG2 THR A 61 -14.036 -9.129 -2.003 1.00 6.24 C ATOM 0 H THR A 61 -13.214 -6.866 -4.972 1.00 7.06 H new ATOM 0 HA THR A 61 -12.936 -9.723 -4.677 1.00 6.93 H new ATOM 0 HB THR A 61 -13.485 -7.363 -2.941 1.00 6.40 H new ATOM 0 HG1 THR A 61 -11.525 -7.865 -2.179 1.00 6.63 H new ATOM 0 HG21 THR A 61 -13.760 -8.778 -1.009 1.00 6.24 H new ATOM 0 HG22 THR A 61 -15.093 -8.929 -2.178 1.00 6.24 H new ATOM 0 HG23 THR A 61 -13.853 -10.201 -2.073 1.00 6.24 H new ATOM 727 N ASP A 62 -15.854 -8.183 -4.771 1.00 7.84 N ATOM 728 CA ASP A 62 -17.315 -8.319 -4.940 1.00 8.59 C ATOM 729 C ASP A 62 -18.054 -8.692 -3.642 1.00 8.58 C ATOM 730 O ASP A 62 -19.149 -8.170 -3.387 1.00 9.09 O ATOM 731 CB ASP A 62 -17.714 -9.255 -6.117 1.00 9.39 C ATOM 732 CG ASP A 62 -17.340 -8.699 -7.491 1.00 10.02 C ATOM 733 OD1 ASP A 62 -16.160 -8.812 -7.906 1.00 10.17 O ATOM 734 OD2 ASP A 62 -18.227 -8.148 -8.184 1.00 10.54 O ATOM 0 H ASP A 62 -15.536 -7.215 -4.802 1.00 7.84 H new ATOM 0 HA ASP A 62 -17.652 -7.317 -5.208 1.00 8.59 H new ATOM 0 HB2 ASP A 62 -17.231 -10.223 -5.981 1.00 9.39 H new ATOM 0 HB3 ASP A 62 -18.790 -9.429 -6.084 1.00 9.39 H new ATOM 739 N ARG A 63 -17.476 -9.587 -2.817 1.00 8.24 N ATOM 740 CA ARG A 63 -18.103 -9.969 -1.541 1.00 8.47 C ATOM 741 C ARG A 63 -17.078 -10.483 -0.450 1.00 7.71 C ATOM 742 O ARG A 63 -16.950 -9.862 0.605 1.00 7.62 O ATOM 743 CB ARG A 63 -19.260 -10.978 -1.756 1.00 9.43 C ATOM 744 CG ARG A 63 -19.964 -11.414 -0.478 1.00 10.10 C ATOM 745 CD ARG A 63 -21.041 -12.448 -0.774 1.00 10.99 C ATOM 746 NE ARG A 63 -22.089 -11.929 -1.668 1.00 11.57 N ATOM 747 CZ ARG A 63 -22.982 -12.692 -2.331 1.00 12.49 C ATOM 748 NH1 ARG A 63 -22.913 -14.031 -2.264 1.00 12.92 N ATOM 749 NH2 ARG A 63 -23.931 -12.113 -3.065 1.00 13.10 N ATOM 0 H ARG A 63 -16.589 -10.052 -3.009 1.00 8.24 H new ATOM 0 HA ARG A 63 -18.523 -9.049 -1.135 1.00 8.47 H new ATOM 0 HB2 ARG A 63 -19.995 -10.531 -2.426 1.00 9.43 H new ATOM 0 HB3 ARG A 63 -18.866 -11.862 -2.258 1.00 9.43 H new ATOM 0 HG2 ARG A 63 -19.236 -11.831 0.218 1.00 10.10 H new ATOM 0 HG3 ARG A 63 -20.411 -10.547 0.009 1.00 10.10 H new ATOM 0 HD2 ARG A 63 -20.582 -13.326 -1.228 1.00 10.99 H new ATOM 0 HD3 ARG A 63 -21.495 -12.774 0.162 1.00 10.99 H new ATOM 0 HE ARG A 63 -22.144 -10.918 -1.795 1.00 11.57 H new ATOM 0 HH11 ARG A 63 -22.182 -14.477 -1.709 1.00 12.92 H new ATOM 0 HH12 ARG A 63 -23.591 -14.602 -2.768 1.00 12.92 H new ATOM 0 HH21 ARG A 63 -23.981 -11.096 -3.124 1.00 13.10 H new ATOM 0 HH22 ARG A 63 -24.608 -12.687 -3.568 1.00 13.10 H new ATOM 763 N PRO A 64 -16.334 -11.622 -0.681 1.00 7.39 N ATOM 764 CA PRO A 64 -15.408 -12.174 0.337 1.00 6.90 C ATOM 765 C PRO A 64 -14.049 -11.439 0.403 1.00 6.03 C ATOM 766 O PRO A 64 -13.175 -11.665 -0.431 1.00 6.04 O ATOM 767 CB PRO A 64 -15.212 -13.614 -0.127 1.00 7.33 C ATOM 768 CG PRO A 64 -15.304 -13.529 -1.615 1.00 7.79 C ATOM 769 CD PRO A 64 -16.313 -12.445 -1.921 1.00 7.79 C ATOM 0 HA PRO A 64 -15.814 -12.072 1.343 1.00 6.90 H new ATOM 0 HB2 PRO A 64 -14.247 -14.008 0.191 1.00 7.33 H new ATOM 0 HB3 PRO A 64 -15.977 -14.273 0.283 1.00 7.33 H new ATOM 0 HG2 PRO A 64 -14.334 -13.290 -2.051 1.00 7.79 H new ATOM 0 HG3 PRO A 64 -15.618 -14.483 -2.039 1.00 7.79 H new ATOM 0 HD2 PRO A 64 -16.016 -11.855 -2.788 1.00 7.79 H new ATOM 0 HD3 PRO A 64 -17.295 -12.863 -2.141 1.00 7.79 H new ATOM 777 N ILE A 65 -13.878 -10.576 1.400 1.00 5.53 N ATOM 778 CA ILE A 65 -12.674 -9.740 1.482 1.00 4.81 C ATOM 779 C ILE A 65 -11.565 -10.442 2.266 1.00 4.50 C ATOM 780 O ILE A 65 -11.836 -11.169 3.238 1.00 4.92 O ATOM 781 CB ILE A 65 -12.972 -8.359 2.159 1.00 4.79 C ATOM 782 CG1 ILE A 65 -14.296 -7.792 1.628 1.00 5.45 C ATOM 783 CG2 ILE A 65 -11.844 -7.398 1.817 1.00 4.94 C ATOM 784 CD1 ILE A 65 -14.759 -6.548 2.337 1.00 5.96 C ATOM 0 H ILE A 65 -14.547 -10.434 2.157 1.00 5.53 H new ATOM 0 HA ILE A 65 -12.345 -9.570 0.457 1.00 4.81 H new ATOM 0 HB ILE A 65 -13.047 -8.488 3.239 1.00 4.79 H new ATOM 0 HG12 ILE A 65 -14.185 -7.572 0.566 1.00 5.45 H new ATOM 0 HG13 ILE A 65 -15.068 -8.556 1.716 1.00 5.45 H new ATOM 0 HG21 ILE A 65 -12.037 -6.431 2.281 1.00 4.94 H new ATOM 0 HG22 ILE A 65 -10.900 -7.797 2.189 1.00 4.94 H new ATOM 0 HG23 ILE A 65 -11.785 -7.276 0.735 1.00 4.94 H new ATOM 0 HD11 ILE A 65 -15.700 -6.211 1.903 1.00 5.96 H new ATOM 0 HD12 ILE A 65 -14.904 -6.765 3.395 1.00 5.96 H new ATOM 0 HD13 ILE A 65 -14.008 -5.766 2.227 1.00 5.96 H new ATOM 796 N ALA A 66 -10.321 -10.202 1.847 1.00 4.20 N ATOM 797 CA ALA A 66 -9.119 -10.766 2.488 1.00 4.33 C ATOM 798 C ALA A 66 -8.978 -10.275 3.950 1.00 4.07 C ATOM 799 O ALA A 66 -9.526 -9.220 4.318 1.00 3.75 O ATOM 800 CB ALA A 66 -7.878 -10.387 1.680 1.00 4.69 C ATOM 0 H ALA A 66 -10.112 -9.606 1.046 1.00 4.20 H new ATOM 0 HA ALA A 66 -9.219 -11.851 2.510 1.00 4.33 H new ATOM 0 HB1 ALA A 66 -6.992 -10.806 2.157 1.00 4.69 H new ATOM 0 HB2 ALA A 66 -7.967 -10.783 0.669 1.00 4.69 H new ATOM 0 HB3 ALA A 66 -7.789 -9.301 1.638 1.00 4.69 H new ATOM 806 N PRO A 67 -8.257 -11.029 4.816 1.00 4.67 N ATOM 807 CA PRO A 67 -8.097 -10.670 6.209 1.00 4.98 C ATOM 808 C PRO A 67 -7.057 -9.576 6.429 1.00 4.85 C ATOM 809 O PRO A 67 -5.900 -9.733 6.097 1.00 5.44 O ATOM 810 CB PRO A 67 -7.638 -11.978 6.898 1.00 5.97 C ATOM 811 CG PRO A 67 -7.574 -13.014 5.819 1.00 6.19 C ATOM 812 CD PRO A 67 -7.541 -12.281 4.509 1.00 5.51 C ATOM 0 HA PRO A 67 -9.027 -10.267 6.609 1.00 4.98 H new ATOM 0 HB2 PRO A 67 -6.665 -11.848 7.372 1.00 5.97 H new ATOM 0 HB3 PRO A 67 -8.337 -12.273 7.681 1.00 5.97 H new ATOM 0 HG2 PRO A 67 -6.687 -13.637 5.935 1.00 6.19 H new ATOM 0 HG3 PRO A 67 -8.438 -13.677 5.869 1.00 6.19 H new ATOM 0 HD2 PRO A 67 -6.520 -12.092 4.177 1.00 5.51 H new ATOM 0 HD3 PRO A 67 -8.034 -12.845 3.717 1.00 5.51 H new ATOM 820 N ARG A 68 -7.483 -8.481 7.045 1.00 4.34 N ATOM 821 CA ARG A 68 -6.582 -7.347 7.381 1.00 4.37 C ATOM 822 C ARG A 68 -5.628 -7.680 8.554 1.00 4.47 C ATOM 823 O ARG A 68 -4.935 -6.799 9.079 1.00 5.10 O ATOM 824 CB ARG A 68 -7.389 -6.068 7.717 1.00 5.11 C ATOM 825 CG ARG A 68 -8.405 -6.250 8.848 1.00 5.88 C ATOM 826 CD ARG A 68 -9.050 -4.927 9.268 1.00 6.72 C ATOM 827 NE ARG A 68 -8.077 -4.004 9.915 1.00 7.26 N ATOM 828 CZ ARG A 68 -8.373 -2.757 10.368 1.00 8.17 C ATOM 829 NH1 ARG A 68 -9.572 -2.235 10.152 1.00 8.64 N ATOM 830 NH2 ARG A 68 -7.450 -2.029 11.019 1.00 8.80 N ATOM 0 H ARG A 68 -8.452 -8.338 7.331 1.00 4.34 H new ATOM 0 HA ARG A 68 -5.976 -7.166 6.493 1.00 4.37 H new ATOM 0 HB2 ARG A 68 -6.694 -5.274 7.991 1.00 5.11 H new ATOM 0 HB3 ARG A 68 -7.914 -5.737 6.821 1.00 5.11 H new ATOM 0 HG2 ARG A 68 -9.182 -6.945 8.528 1.00 5.88 H new ATOM 0 HG3 ARG A 68 -7.910 -6.700 9.709 1.00 5.88 H new ATOM 0 HD2 ARG A 68 -9.481 -4.441 8.392 1.00 6.72 H new ATOM 0 HD3 ARG A 68 -9.870 -5.128 9.957 1.00 6.72 H new ATOM 0 HE ARG A 68 -7.118 -4.332 10.027 1.00 7.26 H new ATOM 0 HH11 ARG A 68 -10.277 -2.769 9.644 1.00 8.64 H new ATOM 0 HH12 ARG A 68 -9.790 -1.299 10.494 1.00 8.64 H new ATOM 0 HH21 ARG A 68 -6.518 -2.411 11.177 1.00 8.80 H new ATOM 0 HH22 ARG A 68 -7.682 -1.094 11.355 1.00 8.80 H new ATOM 844 N ASP A 69 -5.577 -8.930 8.932 1.00 4.27 N ATOM 845 CA ASP A 69 -4.775 -9.368 10.071 1.00 4.77 C ATOM 846 C ASP A 69 -3.685 -10.340 9.620 1.00 4.67 C ATOM 847 O ASP A 69 -2.831 -10.724 10.385 1.00 5.15 O ATOM 848 CB ASP A 69 -5.704 -9.995 11.132 1.00 5.35 C ATOM 849 CG ASP A 69 -4.981 -10.529 12.352 1.00 6.03 C ATOM 850 OD1 ASP A 69 -4.438 -9.699 13.127 1.00 6.30 O ATOM 851 OD2 ASP A 69 -4.917 -11.753 12.519 1.00 6.55 O ATOM 0 H ASP A 69 -6.086 -9.682 8.467 1.00 4.27 H new ATOM 0 HA ASP A 69 -4.270 -8.512 10.518 1.00 4.77 H new ATOM 0 HB2 ASP A 69 -6.429 -9.247 11.452 1.00 5.35 H new ATOM 0 HB3 ASP A 69 -6.266 -10.808 10.672 1.00 5.35 H new ATOM 856 N GLU A 70 -3.696 -10.666 8.332 1.00 4.43 N ATOM 857 CA GLU A 70 -2.783 -11.667 7.778 1.00 4.73 C ATOM 858 C GLU A 70 -1.320 -11.218 7.915 1.00 4.23 C ATOM 859 O GLU A 70 -0.488 -11.929 8.483 1.00 4.51 O ATOM 860 CB GLU A 70 -3.153 -11.973 6.320 1.00 5.46 C ATOM 861 CG GLU A 70 -2.466 -13.197 5.739 1.00 6.15 C ATOM 862 CD GLU A 70 -2.908 -13.474 4.333 1.00 6.83 C ATOM 863 OE1 GLU A 70 -4.062 -13.902 4.140 1.00 7.05 O ATOM 864 OE2 GLU A 70 -2.124 -13.269 3.417 1.00 7.39 O ATOM 0 H GLU A 70 -4.329 -10.251 7.648 1.00 4.43 H new ATOM 0 HA GLU A 70 -2.887 -12.589 8.350 1.00 4.73 H new ATOM 0 HB2 GLU A 70 -4.232 -12.112 6.254 1.00 5.46 H new ATOM 0 HB3 GLU A 70 -2.905 -11.107 5.706 1.00 5.46 H new ATOM 0 HG2 GLU A 70 -1.386 -13.050 5.757 1.00 6.15 H new ATOM 0 HG3 GLU A 70 -2.680 -14.064 6.364 1.00 6.15 H new ATOM 871 N THR A 71 -1.027 -10.051 7.419 1.00 3.85 N ATOM 872 CA THR A 71 0.292 -9.489 7.561 1.00 3.57 C ATOM 873 C THR A 71 0.393 -8.771 8.918 1.00 3.98 C ATOM 874 O THR A 71 -0.152 -7.657 9.099 1.00 4.61 O ATOM 875 CB THR A 71 0.608 -8.499 6.418 1.00 3.35 C ATOM 876 OG1 THR A 71 0.424 -9.156 5.155 1.00 3.73 O ATOM 877 CG2 THR A 71 2.047 -8.015 6.516 1.00 3.20 C ATOM 0 H THR A 71 -1.686 -9.464 6.908 1.00 3.85 H new ATOM 0 HA THR A 71 1.020 -10.299 7.512 1.00 3.57 H new ATOM 0 HB THR A 71 -0.063 -7.644 6.501 1.00 3.35 H new ATOM 0 HG1 THR A 71 0.861 -8.636 4.449 1.00 3.73 H new ATOM 0 HG21 THR A 71 2.253 -7.318 5.703 1.00 3.20 H new ATOM 0 HG22 THR A 71 2.198 -7.512 7.471 1.00 3.20 H new ATOM 0 HG23 THR A 71 2.723 -8.867 6.444 1.00 3.20 H new ATOM 885 N PHE A 72 1.052 -9.411 9.871 1.00 3.94 N ATOM 886 CA PHE A 72 1.151 -8.853 11.204 1.00 4.53 C ATOM 887 C PHE A 72 2.589 -8.474 11.616 1.00 4.27 C ATOM 888 O PHE A 72 2.775 -7.451 12.240 1.00 4.46 O ATOM 889 CB PHE A 72 0.491 -9.788 12.244 1.00 5.25 C ATOM 890 CG PHE A 72 0.482 -9.234 13.646 1.00 5.93 C ATOM 891 CD1 PHE A 72 -0.436 -8.260 14.004 1.00 6.46 C ATOM 892 CD2 PHE A 72 1.375 -9.693 14.603 1.00 6.31 C ATOM 893 CE1 PHE A 72 -0.456 -7.743 15.283 1.00 7.32 C ATOM 894 CE2 PHE A 72 1.358 -9.177 15.890 1.00 7.11 C ATOM 895 CZ PHE A 72 0.440 -8.199 16.226 1.00 7.60 C ATOM 0 H PHE A 72 1.521 -10.308 9.746 1.00 3.94 H new ATOM 0 HA PHE A 72 0.599 -7.913 11.180 1.00 4.53 H new ATOM 0 HB2 PHE A 72 -0.535 -9.989 11.937 1.00 5.25 H new ATOM 0 HB3 PHE A 72 1.017 -10.743 12.245 1.00 5.25 H new ATOM 0 HD1 PHE A 72 -1.145 -7.901 13.273 1.00 6.46 H new ATOM 0 HD2 PHE A 72 2.090 -10.459 14.343 1.00 6.31 H new ATOM 0 HE1 PHE A 72 -1.174 -6.980 15.546 1.00 7.32 H new ATOM 0 HE2 PHE A 72 2.060 -9.538 16.628 1.00 7.11 H new ATOM 0 HZ PHE A 72 0.425 -7.793 17.227 1.00 7.60 H new ATOM 905 N GLU A 73 3.597 -9.278 11.244 1.00 4.23 N ATOM 906 CA GLU A 73 4.995 -8.997 11.689 1.00 4.34 C ATOM 907 C GLU A 73 5.644 -7.842 10.927 1.00 3.40 C ATOM 908 O GLU A 73 6.655 -7.312 11.358 1.00 3.76 O ATOM 909 CB GLU A 73 5.896 -10.239 11.642 1.00 5.08 C ATOM 910 CG GLU A 73 6.051 -10.880 10.276 1.00 5.69 C ATOM 911 CD GLU A 73 7.052 -12.007 10.306 1.00 6.39 C ATOM 912 OE1 GLU A 73 6.681 -13.126 10.700 1.00 6.86 O ATOM 913 OE2 GLU A 73 8.223 -11.779 9.955 1.00 6.72 O ATOM 0 H GLU A 73 3.491 -10.105 10.656 1.00 4.23 H new ATOM 0 HA GLU A 73 4.900 -8.693 12.731 1.00 4.34 H new ATOM 0 HB2 GLU A 73 6.885 -9.964 12.010 1.00 5.08 H new ATOM 0 HB3 GLU A 73 5.496 -10.983 12.330 1.00 5.08 H new ATOM 0 HG2 GLU A 73 5.086 -11.258 9.938 1.00 5.69 H new ATOM 0 HG3 GLU A 73 6.369 -10.128 9.554 1.00 5.69 H new ATOM 920 N TYR A 74 5.034 -7.477 9.787 1.00 2.52 N ATOM 921 CA TYR A 74 5.481 -6.366 8.905 1.00 1.62 C ATOM 922 C TYR A 74 6.811 -6.742 8.213 1.00 1.55 C ATOM 923 O TYR A 74 7.269 -7.886 8.317 1.00 2.04 O ATOM 924 CB TYR A 74 5.668 -5.039 9.697 1.00 1.64 C ATOM 925 CG TYR A 74 4.556 -4.685 10.678 1.00 2.33 C ATOM 926 CD1 TYR A 74 3.223 -4.799 10.293 1.00 2.84 C ATOM 927 CD2 TYR A 74 4.822 -4.218 11.952 1.00 3.09 C ATOM 928 CE1 TYR A 74 2.196 -4.472 11.148 1.00 3.84 C ATOM 929 CE2 TYR A 74 3.800 -3.893 12.817 1.00 4.10 C ATOM 930 CZ TYR A 74 2.571 -4.057 12.516 1.00 4.41 C ATOM 931 OH TYR A 74 1.470 -3.680 13.278 1.00 5.54 O ATOM 0 H TYR A 74 4.200 -7.950 9.439 1.00 2.52 H new ATOM 0 HA TYR A 74 4.704 -6.209 8.157 1.00 1.62 H new ATOM 0 HB2 TYR A 74 6.607 -5.097 10.248 1.00 1.64 H new ATOM 0 HB3 TYR A 74 5.768 -4.223 8.982 1.00 1.64 H new ATOM 0 HD1 TYR A 74 2.990 -5.153 9.300 1.00 2.84 H new ATOM 0 HD2 TYR A 74 5.847 -4.106 12.274 1.00 3.09 H new ATOM 0 HE1 TYR A 74 1.164 -4.516 10.834 1.00 3.84 H new ATOM 0 HE2 TYR A 74 4.048 -3.484 13.785 1.00 4.10 H new ATOM 0 HH TYR A 74 1.767 -3.415 14.173 1.00 5.54 H new ATOM 941 N ILE A 75 7.401 -5.796 7.467 1.00 1.22 N ATOM 942 CA ILE A 75 8.697 -6.027 6.866 1.00 1.39 C ATOM 943 C ILE A 75 9.421 -4.690 6.660 1.00 0.98 C ATOM 944 O ILE A 75 8.796 -3.683 6.294 1.00 1.15 O ATOM 945 CB ILE A 75 8.590 -6.841 5.528 1.00 2.16 C ATOM 946 CG1 ILE A 75 9.989 -7.127 4.942 1.00 2.78 C ATOM 947 CG2 ILE A 75 7.701 -6.114 4.508 1.00 2.77 C ATOM 948 CD1 ILE A 75 9.986 -7.995 3.698 1.00 3.80 C ATOM 0 H ILE A 75 6.997 -4.879 7.275 1.00 1.22 H new ATOM 0 HA ILE A 75 9.285 -6.640 7.549 1.00 1.39 H new ATOM 0 HB ILE A 75 8.120 -7.798 5.755 1.00 2.16 H new ATOM 0 HG12 ILE A 75 10.471 -6.178 4.706 1.00 2.78 H new ATOM 0 HG13 ILE A 75 10.597 -7.612 5.706 1.00 2.78 H new ATOM 0 HG21 ILE A 75 7.645 -6.701 3.591 1.00 2.77 H new ATOM 0 HG22 ILE A 75 6.700 -5.990 4.921 1.00 2.77 H new ATOM 0 HG23 ILE A 75 8.126 -5.135 4.287 1.00 2.77 H new ATOM 0 HD11 ILE A 75 11.010 -8.144 3.356 1.00 3.80 H new ATOM 0 HD12 ILE A 75 9.537 -8.961 3.929 1.00 3.80 H new ATOM 0 HD13 ILE A 75 9.409 -7.505 2.914 1.00 3.80 H new ATOM 960 N ILE A 76 10.709 -4.682 6.934 1.00 0.97 N ATOM 961 CA ILE A 76 11.513 -3.476 6.827 1.00 0.87 C ATOM 962 C ILE A 76 12.544 -3.654 5.703 1.00 0.78 C ATOM 963 O ILE A 76 13.177 -4.710 5.602 1.00 1.17 O ATOM 964 CB ILE A 76 12.278 -3.199 8.164 1.00 1.64 C ATOM 965 CG1 ILE A 76 11.311 -3.178 9.370 1.00 2.14 C ATOM 966 CG2 ILE A 76 13.070 -1.891 8.086 1.00 1.87 C ATOM 967 CD1 ILE A 76 10.193 -2.164 9.264 1.00 2.42 C ATOM 0 H ILE A 76 11.229 -5.506 7.236 1.00 0.97 H new ATOM 0 HA ILE A 76 10.851 -2.637 6.613 1.00 0.87 H new ATOM 0 HB ILE A 76 12.984 -4.016 8.312 1.00 1.64 H new ATOM 0 HG12 ILE A 76 10.874 -4.170 9.486 1.00 2.14 H new ATOM 0 HG13 ILE A 76 11.884 -2.974 10.275 1.00 2.14 H new ATOM 0 HG21 ILE A 76 13.591 -1.724 9.029 1.00 1.87 H new ATOM 0 HG22 ILE A 76 13.796 -1.953 7.276 1.00 1.87 H new ATOM 0 HG23 ILE A 76 12.387 -1.063 7.898 1.00 1.87 H new ATOM 0 HD11 ILE A 76 9.565 -2.220 10.153 1.00 2.42 H new ATOM 0 HD12 ILE A 76 10.616 -1.163 9.182 1.00 2.42 H new ATOM 0 HD13 ILE A 76 9.591 -2.377 8.381 1.00 2.42 H new ATOM 979 N PHE A 77 12.697 -2.651 4.857 1.00 0.64 N ATOM 980 CA PHE A 77 13.673 -2.715 3.790 1.00 0.75 C ATOM 981 C PHE A 77 14.813 -1.781 4.078 1.00 0.68 C ATOM 982 O PHE A 77 14.610 -0.722 4.651 1.00 0.65 O ATOM 983 CB PHE A 77 13.056 -2.431 2.423 1.00 1.02 C ATOM 984 CG PHE A 77 12.070 -3.467 2.013 1.00 1.18 C ATOM 985 CD1 PHE A 77 12.502 -4.684 1.516 1.00 1.44 C ATOM 986 CD2 PHE A 77 10.713 -3.244 2.134 1.00 1.69 C ATOM 987 CE1 PHE A 77 11.602 -5.646 1.132 1.00 1.87 C ATOM 988 CE2 PHE A 77 9.811 -4.213 1.757 1.00 2.31 C ATOM 989 CZ PHE A 77 10.256 -5.412 1.262 1.00 2.30 C ATOM 0 H PHE A 77 12.158 -1.786 4.890 1.00 0.64 H new ATOM 0 HA PHE A 77 14.055 -3.735 3.750 1.00 0.75 H new ATOM 0 HB2 PHE A 77 12.566 -1.457 2.445 1.00 1.02 H new ATOM 0 HB3 PHE A 77 13.848 -2.373 1.676 1.00 1.02 H new ATOM 0 HD1 PHE A 77 13.561 -4.879 1.429 1.00 1.44 H new ATOM 0 HD2 PHE A 77 10.357 -2.303 2.527 1.00 1.69 H new ATOM 0 HE1 PHE A 77 11.952 -6.585 0.729 1.00 1.87 H new ATOM 0 HE2 PHE A 77 8.751 -4.029 1.851 1.00 2.31 H new ATOM 0 HZ PHE A 77 9.546 -6.173 0.974 1.00 2.30 H new ATOM 999 N ARG A 78 16.004 -2.161 3.648 1.00 0.76 N ATOM 1000 CA ARG A 78 17.228 -1.422 3.955 1.00 0.80 C ATOM 1001 C ARG A 78 17.341 -0.083 3.213 1.00 0.71 C ATOM 1002 O ARG A 78 18.277 0.663 3.447 1.00 1.01 O ATOM 1003 CB ARG A 78 18.454 -2.287 3.674 1.00 1.04 C ATOM 1004 CG ARG A 78 18.506 -3.609 4.444 1.00 1.36 C ATOM 1005 CD ARG A 78 18.529 -3.386 5.948 1.00 1.38 C ATOM 1006 NE ARG A 78 18.618 -4.660 6.685 1.00 2.06 N ATOM 1007 CZ ARG A 78 19.335 -4.856 7.797 1.00 2.69 C ATOM 1008 NH1 ARG A 78 19.993 -3.848 8.368 1.00 3.02 N ATOM 1009 NH2 ARG A 78 19.351 -6.059 8.370 1.00 3.45 N ATOM 0 H ARG A 78 16.155 -2.991 3.075 1.00 0.76 H new ATOM 0 HA ARG A 78 17.180 -1.180 5.017 1.00 0.80 H new ATOM 0 HB2 ARG A 78 18.489 -2.505 2.607 1.00 1.04 H new ATOM 0 HB3 ARG A 78 19.348 -1.711 3.911 1.00 1.04 H new ATOM 0 HG2 ARG A 78 17.641 -4.218 4.180 1.00 1.36 H new ATOM 0 HG3 ARG A 78 19.393 -4.169 4.146 1.00 1.36 H new ATOM 0 HD2 ARG A 78 19.378 -2.754 6.210 1.00 1.38 H new ATOM 0 HD3 ARG A 78 17.628 -2.852 6.251 1.00 1.38 H new ATOM 0 HE ARG A 78 18.092 -5.453 6.318 1.00 2.06 H new ATOM 0 HH11 ARG A 78 19.953 -2.915 7.957 1.00 3.02 H new ATOM 0 HH12 ARG A 78 20.537 -4.009 9.216 1.00 3.02 H new ATOM 0 HH21 ARG A 78 18.818 -6.826 7.960 1.00 3.45 H new ATOM 0 HH22 ARG A 78 19.896 -6.213 9.218 1.00 3.45 H new ATOM 1023 N GLY A 79 16.408 0.207 2.312 1.00 0.66 N ATOM 1024 CA GLY A 79 16.403 1.502 1.624 1.00 0.72 C ATOM 1025 C GLY A 79 17.379 1.560 0.493 1.00 0.64 C ATOM 1026 O GLY A 79 17.009 1.784 -0.643 1.00 0.76 O ATOM 0 H GLY A 79 15.654 -0.424 2.041 1.00 0.66 H new ATOM 0 HA2 GLY A 79 15.401 1.703 1.244 1.00 0.72 H new ATOM 0 HA3 GLY A 79 16.636 2.290 2.340 1.00 0.72 H new ATOM 1030 N SER A 80 18.627 1.334 0.802 1.00 0.62 N ATOM 1031 CA SER A 80 19.708 1.284 -0.184 1.00 0.79 C ATOM 1032 C SER A 80 19.569 0.068 -1.119 1.00 0.77 C ATOM 1033 O SER A 80 20.330 -0.098 -2.087 1.00 1.04 O ATOM 1034 CB SER A 80 21.030 1.223 0.574 1.00 0.94 C ATOM 1035 OG SER A 80 21.006 0.177 1.561 1.00 1.64 O ATOM 0 H SER A 80 18.942 1.175 1.759 1.00 0.62 H new ATOM 0 HA SER A 80 19.665 2.173 -0.814 1.00 0.79 H new ATOM 0 HB2 SER A 80 21.848 1.050 -0.126 1.00 0.94 H new ATOM 0 HB3 SER A 80 21.221 2.181 1.058 1.00 0.94 H new ATOM 0 HG SER A 80 20.686 -0.653 1.150 1.00 1.64 H new ATOM 1041 N ASP A 81 18.575 -0.732 -0.835 1.00 0.61 N ATOM 1042 CA ASP A 81 18.346 -1.998 -1.486 1.00 0.76 C ATOM 1043 C ASP A 81 17.006 -2.020 -2.216 1.00 0.58 C ATOM 1044 O ASP A 81 16.467 -3.097 -2.513 1.00 0.63 O ATOM 1045 CB ASP A 81 18.375 -3.093 -0.417 1.00 0.99 C ATOM 1046 CG ASP A 81 19.735 -3.257 0.229 1.00 1.58 C ATOM 1047 OD1 ASP A 81 20.126 -2.381 1.040 1.00 1.92 O ATOM 1048 OD2 ASP A 81 20.397 -4.274 -0.042 1.00 2.00 O ATOM 0 H ASP A 81 17.879 -0.515 -0.121 1.00 0.61 H new ATOM 0 HA ASP A 81 19.124 -2.163 -2.232 1.00 0.76 H new ATOM 0 HB2 ASP A 81 17.639 -2.860 0.353 1.00 0.99 H new ATOM 0 HB3 ASP A 81 18.077 -4.040 -0.867 1.00 0.99 H new ATOM 1053 N ILE A 82 16.449 -0.865 -2.505 1.00 0.49 N ATOM 1054 CA ILE A 82 15.201 -0.824 -3.253 1.00 0.42 C ATOM 1055 C ILE A 82 15.453 -0.543 -4.735 1.00 0.38 C ATOM 1056 O ILE A 82 16.323 0.256 -5.081 1.00 0.47 O ATOM 1057 CB ILE A 82 14.178 0.203 -2.681 1.00 0.49 C ATOM 1058 CG1 ILE A 82 14.734 1.646 -2.727 1.00 0.96 C ATOM 1059 CG2 ILE A 82 13.777 -0.184 -1.255 1.00 0.89 C ATOM 1060 CD1 ILE A 82 13.756 2.697 -2.243 1.00 1.70 C ATOM 0 H ILE A 82 16.827 0.045 -2.242 1.00 0.49 H new ATOM 0 HA ILE A 82 14.757 -1.814 -3.146 1.00 0.42 H new ATOM 0 HB ILE A 82 13.289 0.178 -3.311 1.00 0.49 H new ATOM 0 HG12 ILE A 82 15.637 1.696 -2.118 1.00 0.96 H new ATOM 0 HG13 ILE A 82 15.026 1.880 -3.751 1.00 0.96 H new ATOM 0 HG21 ILE A 82 13.062 0.542 -0.868 1.00 0.89 H new ATOM 0 HG22 ILE A 82 13.321 -1.174 -1.261 1.00 0.89 H new ATOM 0 HG23 ILE A 82 14.662 -0.196 -0.619 1.00 0.89 H new ATOM 0 HD11 ILE A 82 14.219 3.682 -2.306 1.00 1.70 H new ATOM 0 HD12 ILE A 82 12.862 2.676 -2.866 1.00 1.70 H new ATOM 0 HD13 ILE A 82 13.482 2.490 -1.208 1.00 1.70 H new ATOM 1072 N LYS A 83 14.730 -1.237 -5.591 1.00 0.34 N ATOM 1073 CA LYS A 83 14.833 -1.024 -7.030 1.00 0.36 C ATOM 1074 C LYS A 83 13.786 -0.026 -7.484 1.00 0.38 C ATOM 1075 O LYS A 83 14.100 1.018 -8.047 1.00 0.58 O ATOM 1076 CB LYS A 83 14.632 -2.325 -7.811 1.00 0.50 C ATOM 1077 CG LYS A 83 15.662 -3.406 -7.553 1.00 0.86 C ATOM 1078 CD LYS A 83 17.059 -2.954 -7.949 1.00 0.97 C ATOM 1079 CE LYS A 83 18.083 -4.076 -7.790 1.00 1.01 C ATOM 1080 NZ LYS A 83 17.839 -5.214 -8.725 1.00 1.59 N ATOM 0 H LYS A 83 14.061 -1.957 -5.319 1.00 0.34 H new ATOM 0 HA LYS A 83 15.835 -0.645 -7.229 1.00 0.36 H new ATOM 0 HB2 LYS A 83 13.646 -2.723 -7.573 1.00 0.50 H new ATOM 0 HB3 LYS A 83 14.633 -2.093 -8.876 1.00 0.50 H new ATOM 0 HG2 LYS A 83 15.652 -3.675 -6.497 1.00 0.86 H new ATOM 0 HG3 LYS A 83 15.397 -4.303 -8.113 1.00 0.86 H new ATOM 0 HD2 LYS A 83 17.051 -2.613 -8.984 1.00 0.97 H new ATOM 0 HD3 LYS A 83 17.354 -2.103 -7.335 1.00 0.97 H new ATOM 0 HE2 LYS A 83 19.083 -3.677 -7.962 1.00 1.01 H new ATOM 0 HE3 LYS A 83 18.058 -4.442 -6.764 1.00 1.01 H new ATOM 0 HZ1 LYS A 83 18.719 -5.753 -8.853 1.00 1.59 H new ATOM 0 HZ2 LYS A 83 17.106 -5.837 -8.330 1.00 1.59 H new ATOM 0 HZ3 LYS A 83 17.521 -4.846 -9.644 1.00 1.59 H new ATOM 1094 N ASP A 84 12.549 -0.333 -7.191 1.00 0.34 N ATOM 1095 CA ASP A 84 11.429 0.473 -7.644 1.00 0.44 C ATOM 1096 C ASP A 84 10.605 0.943 -6.475 1.00 0.48 C ATOM 1097 O ASP A 84 10.329 0.187 -5.560 1.00 0.78 O ATOM 1098 CB ASP A 84 10.541 -0.306 -8.635 1.00 0.77 C ATOM 1099 CG ASP A 84 11.140 -0.487 -10.039 1.00 1.37 C ATOM 1100 OD1 ASP A 84 12.234 -1.090 -10.179 1.00 1.49 O ATOM 1101 OD2 ASP A 84 10.480 -0.055 -11.017 1.00 2.22 O ATOM 0 H ASP A 84 12.283 -1.145 -6.634 1.00 0.34 H new ATOM 0 HA ASP A 84 11.838 1.341 -8.161 1.00 0.44 H new ATOM 0 HB2 ASP A 84 10.332 -1.290 -8.216 1.00 0.77 H new ATOM 0 HB3 ASP A 84 9.586 0.211 -8.728 1.00 0.77 H new ATOM 1106 N LEU A 85 10.229 2.190 -6.519 1.00 0.48 N ATOM 1107 CA LEU A 85 9.464 2.862 -5.487 1.00 0.72 C ATOM 1108 C LEU A 85 8.525 3.809 -6.200 1.00 0.61 C ATOM 1109 O LEU A 85 8.955 4.825 -6.745 1.00 0.86 O ATOM 1110 CB LEU A 85 10.448 3.669 -4.615 1.00 1.47 C ATOM 1111 CG LEU A 85 9.869 4.494 -3.460 1.00 2.12 C ATOM 1112 CD1 LEU A 85 9.260 3.600 -2.408 1.00 2.79 C ATOM 1113 CD2 LEU A 85 10.951 5.369 -2.857 1.00 2.86 C ATOM 0 H LEU A 85 10.453 2.799 -7.306 1.00 0.48 H new ATOM 0 HA LEU A 85 8.910 2.165 -4.858 1.00 0.72 H new ATOM 0 HB2 LEU A 85 11.174 2.972 -4.197 1.00 1.47 H new ATOM 0 HB3 LEU A 85 10.996 4.347 -5.269 1.00 1.47 H new ATOM 0 HG LEU A 85 9.077 5.132 -3.853 1.00 2.12 H new ATOM 0 HD11 LEU A 85 8.857 4.211 -1.600 1.00 2.79 H new ATOM 0 HD12 LEU A 85 8.458 3.010 -2.852 1.00 2.79 H new ATOM 0 HD13 LEU A 85 10.025 2.932 -2.011 1.00 2.79 H new ATOM 0 HD21 LEU A 85 10.532 5.952 -2.037 1.00 2.86 H new ATOM 0 HD22 LEU A 85 11.759 4.741 -2.480 1.00 2.86 H new ATOM 0 HD23 LEU A 85 11.341 6.043 -3.620 1.00 2.86 H new ATOM 1125 N THR A 86 7.275 3.456 -6.290 1.00 0.61 N ATOM 1126 CA THR A 86 6.334 4.284 -6.997 1.00 0.83 C ATOM 1127 C THR A 86 4.987 4.313 -6.280 1.00 0.83 C ATOM 1128 O THR A 86 4.480 3.267 -5.839 1.00 0.91 O ATOM 1129 CB THR A 86 6.159 3.778 -8.454 1.00 1.18 C ATOM 1130 OG1 THR A 86 7.445 3.720 -9.079 1.00 1.88 O ATOM 1131 CG2 THR A 86 5.261 4.706 -9.264 1.00 1.64 C ATOM 0 H THR A 86 6.883 2.606 -5.886 1.00 0.61 H new ATOM 0 HA THR A 86 6.727 5.300 -7.023 1.00 0.83 H new ATOM 0 HB THR A 86 5.694 2.793 -8.422 1.00 1.18 H new ATOM 0 HG1 THR A 86 7.347 3.400 -10.000 1.00 1.88 H new ATOM 0 HG21 THR A 86 5.161 4.321 -10.279 1.00 1.64 H new ATOM 0 HG22 THR A 86 4.277 4.759 -8.797 1.00 1.64 H new ATOM 0 HG23 THR A 86 5.702 5.702 -9.296 1.00 1.64 H new ATOM 1139 N VAL A 87 4.435 5.496 -6.148 1.00 1.10 N ATOM 1140 CA VAL A 87 3.148 5.679 -5.519 1.00 1.29 C ATOM 1141 C VAL A 87 2.064 5.479 -6.569 1.00 1.44 C ATOM 1142 O VAL A 87 2.152 6.020 -7.669 1.00 1.74 O ATOM 1143 CB VAL A 87 3.010 7.101 -4.915 1.00 1.88 C ATOM 1144 CG1 VAL A 87 1.677 7.258 -4.199 1.00 2.70 C ATOM 1145 CG2 VAL A 87 4.164 7.413 -3.974 1.00 2.21 C ATOM 0 H VAL A 87 4.866 6.361 -6.474 1.00 1.10 H new ATOM 0 HA VAL A 87 3.049 4.955 -4.710 1.00 1.29 H new ATOM 0 HB VAL A 87 3.044 7.816 -5.737 1.00 1.88 H new ATOM 0 HG11 VAL A 87 1.603 8.263 -3.784 1.00 2.70 H new ATOM 0 HG12 VAL A 87 0.863 7.097 -4.906 1.00 2.70 H new ATOM 0 HG13 VAL A 87 1.608 6.527 -3.394 1.00 2.70 H new ATOM 0 HG21 VAL A 87 4.040 8.416 -3.566 1.00 2.21 H new ATOM 0 HG22 VAL A 87 4.175 6.689 -3.159 1.00 2.21 H new ATOM 0 HG23 VAL A 87 5.105 7.358 -4.521 1.00 2.21 H new ATOM 1155 N CYS A 88 1.059 4.703 -6.248 1.00 1.53 N ATOM 1156 CA CYS A 88 -0.006 4.432 -7.182 1.00 1.91 C ATOM 1157 C CYS A 88 -1.132 5.477 -7.117 1.00 1.83 C ATOM 1158 O CYS A 88 -1.780 5.766 -8.138 1.00 2.53 O ATOM 1159 CB CYS A 88 -0.527 3.008 -6.999 1.00 2.71 C ATOM 1160 SG CYS A 88 -0.956 2.607 -5.292 1.00 3.39 S ATOM 0 H CYS A 88 0.956 4.246 -5.342 1.00 1.53 H new ATOM 0 HA CYS A 88 0.410 4.512 -8.186 1.00 1.91 H new ATOM 0 HB2 CYS A 88 -1.406 2.869 -7.628 1.00 2.71 H new ATOM 0 HB3 CYS A 88 0.230 2.306 -7.349 1.00 2.71 H new ATOM 0 HG CYS A 88 -1.390 1.383 -5.230 1.00 3.39 H new ATOM 1166 N GLU A 89 -1.348 6.048 -5.945 1.00 1.89 N ATOM 1167 CA GLU A 89 -2.368 7.069 -5.764 1.00 2.59 C ATOM 1168 C GLU A 89 -1.772 8.321 -5.111 1.00 3.36 C ATOM 1169 O GLU A 89 -1.501 8.341 -3.917 1.00 3.69 O ATOM 1170 CB GLU A 89 -3.600 6.508 -4.988 1.00 3.16 C ATOM 1171 CG GLU A 89 -3.274 5.843 -3.653 1.00 3.65 C ATOM 1172 CD GLU A 89 -4.489 5.232 -2.976 1.00 4.56 C ATOM 1173 OE1 GLU A 89 -4.840 4.062 -3.261 1.00 5.07 O ATOM 1174 OE2 GLU A 89 -5.152 5.928 -2.174 1.00 5.04 O ATOM 0 H GLU A 89 -0.827 5.821 -5.098 1.00 1.89 H new ATOM 0 HA GLU A 89 -2.737 7.369 -6.745 1.00 2.59 H new ATOM 0 HB2 GLU A 89 -4.300 7.324 -4.809 1.00 3.16 H new ATOM 0 HB3 GLU A 89 -4.111 5.784 -5.622 1.00 3.16 H new ATOM 0 HG2 GLU A 89 -2.527 5.066 -3.814 1.00 3.65 H new ATOM 0 HG3 GLU A 89 -2.827 6.581 -2.986 1.00 3.65 H new ATOM 1181 N PRO A 90 -1.502 9.381 -5.923 1.00 4.20 N ATOM 1182 CA PRO A 90 -0.908 10.633 -5.427 1.00 5.33 C ATOM 1183 C PRO A 90 -1.901 11.467 -4.587 1.00 5.94 C ATOM 1184 O PRO A 90 -2.866 12.038 -5.120 1.00 6.31 O ATOM 1185 CB PRO A 90 -0.524 11.402 -6.707 1.00 6.12 C ATOM 1186 CG PRO A 90 -0.751 10.444 -7.844 1.00 5.67 C ATOM 1187 CD PRO A 90 -1.750 9.436 -7.365 1.00 4.55 C ATOM 0 HA PRO A 90 -0.064 10.434 -4.767 1.00 5.33 H new ATOM 0 HB2 PRO A 90 -1.134 12.298 -6.823 1.00 6.12 H new ATOM 0 HB3 PRO A 90 0.516 11.727 -6.671 1.00 6.12 H new ATOM 0 HG2 PRO A 90 -1.123 10.969 -8.724 1.00 5.67 H new ATOM 0 HG3 PRO A 90 0.181 9.958 -8.133 1.00 5.67 H new ATOM 0 HD2 PRO A 90 -2.772 9.744 -7.587 1.00 4.55 H new ATOM 0 HD3 PRO A 90 -1.601 8.465 -7.837 1.00 4.55 H new ATOM 1195 N PRO A 91 -1.678 11.556 -3.268 1.00 6.36 N ATOM 1196 CA PRO A 91 -2.556 12.288 -2.372 1.00 7.26 C ATOM 1197 C PRO A 91 -2.191 13.786 -2.233 1.00 8.19 C ATOM 1198 O PRO A 91 -1.114 14.148 -1.767 1.00 8.59 O ATOM 1199 CB PRO A 91 -2.360 11.557 -1.041 1.00 7.68 C ATOM 1200 CG PRO A 91 -0.957 11.008 -1.087 1.00 7.18 C ATOM 1201 CD PRO A 91 -0.550 10.936 -2.545 1.00 6.33 C ATOM 0 HA PRO A 91 -3.584 12.303 -2.735 1.00 7.26 H new ATOM 0 HB2 PRO A 91 -2.489 12.236 -0.198 1.00 7.68 H new ATOM 0 HB3 PRO A 91 -3.091 10.757 -0.921 1.00 7.68 H new ATOM 0 HG2 PRO A 91 -0.275 11.649 -0.529 1.00 7.18 H new ATOM 0 HG3 PRO A 91 -0.915 10.021 -0.627 1.00 7.18 H new ATOM 0 HD2 PRO A 91 0.381 11.473 -2.725 1.00 6.33 H new ATOM 0 HD3 PRO A 91 -0.391 9.906 -2.864 1.00 6.33 H new ATOM 1209 N LYS A 92 -3.084 14.637 -2.674 1.00 8.73 N ATOM 1210 CA LYS A 92 -2.934 16.078 -2.486 1.00 9.77 C ATOM 1211 C LYS A 92 -4.067 16.621 -1.614 1.00 10.34 C ATOM 1212 O LYS A 92 -5.177 16.846 -2.096 1.00 10.73 O ATOM 1213 CB LYS A 92 -2.838 16.849 -3.824 1.00 10.41 C ATOM 1214 CG LYS A 92 -1.522 16.644 -4.580 1.00 10.86 C ATOM 1215 CD LYS A 92 -1.487 17.466 -5.863 1.00 11.51 C ATOM 1216 CE LYS A 92 -0.112 17.458 -6.542 1.00 12.15 C ATOM 1217 NZ LYS A 92 0.344 16.109 -6.928 1.00 12.69 N ATOM 0 H LYS A 92 -3.932 14.364 -3.171 1.00 8.73 H new ATOM 0 HA LYS A 92 -1.986 16.239 -1.973 1.00 9.77 H new ATOM 0 HB2 LYS A 92 -3.663 16.542 -4.466 1.00 10.41 H new ATOM 0 HB3 LYS A 92 -2.967 17.913 -3.626 1.00 10.41 H new ATOM 0 HG2 LYS A 92 -0.685 16.927 -3.941 1.00 10.86 H new ATOM 0 HG3 LYS A 92 -1.398 15.588 -4.819 1.00 10.86 H new ATOM 0 HD2 LYS A 92 -2.231 17.077 -6.558 1.00 11.51 H new ATOM 0 HD3 LYS A 92 -1.769 18.494 -5.637 1.00 11.51 H new ATOM 0 HE2 LYS A 92 -0.150 18.088 -7.430 1.00 12.15 H new ATOM 0 HE3 LYS A 92 0.620 17.902 -5.868 1.00 12.15 H new ATOM 0 HZ1 LYS A 92 1.278 16.175 -7.381 1.00 12.69 H new ATOM 0 HZ2 LYS A 92 0.411 15.510 -6.081 1.00 12.69 H new ATOM 0 HZ3 LYS A 92 -0.335 15.691 -7.595 1.00 12.69 H new ATOM 1231 N PRO A 93 -3.818 16.757 -0.288 1.00 10.61 N ATOM 1232 CA PRO A 93 -4.814 17.273 0.658 1.00 11.40 C ATOM 1233 C PRO A 93 -4.922 18.808 0.628 1.00 12.54 C ATOM 1234 O PRO A 93 -6.012 19.364 0.484 1.00 13.22 O ATOM 1235 CB PRO A 93 -4.290 16.802 2.037 1.00 11.51 C ATOM 1236 CG PRO A 93 -3.057 15.977 1.757 1.00 10.88 C ATOM 1237 CD PRO A 93 -2.576 16.372 0.390 1.00 10.42 C ATOM 0 HA PRO A 93 -5.814 16.912 0.419 1.00 11.40 H new ATOM 0 HB2 PRO A 93 -4.053 17.653 2.675 1.00 11.51 H new ATOM 0 HB3 PRO A 93 -5.043 16.212 2.559 1.00 11.51 H new ATOM 0 HG2 PRO A 93 -2.288 16.163 2.507 1.00 10.88 H new ATOM 0 HG3 PRO A 93 -3.287 14.912 1.794 1.00 10.88 H new ATOM 0 HD2 PRO A 93 -1.865 17.197 0.433 1.00 10.42 H new ATOM 0 HD3 PRO A 93 -2.076 15.547 -0.118 1.00 10.42 H new ATOM 1245 N ILE A 94 -3.786 19.471 0.771 1.00 12.89 N ATOM 1246 CA ILE A 94 -3.735 20.927 0.803 1.00 14.03 C ATOM 1247 C ILE A 94 -2.771 21.443 -0.267 1.00 14.23 C ATOM 1248 O ILE A 94 -3.192 21.959 -1.278 1.00 14.51 O ATOM 1249 CB ILE A 94 -3.278 21.456 2.216 1.00 14.82 C ATOM 1250 CG1 ILE A 94 -4.258 21.021 3.333 1.00 14.80 C ATOM 1251 CG2 ILE A 94 -3.093 22.986 2.219 1.00 15.27 C ATOM 1252 CD1 ILE A 94 -5.656 21.577 3.198 1.00 15.38 C ATOM 0 H ILE A 94 -2.876 19.020 0.868 1.00 12.89 H new ATOM 0 HA ILE A 94 -4.741 21.298 0.604 1.00 14.03 H new ATOM 0 HB ILE A 94 -2.309 21.002 2.425 1.00 14.82 H new ATOM 0 HG12 ILE A 94 -4.314 19.933 3.345 1.00 14.80 H new ATOM 0 HG13 ILE A 94 -3.850 21.330 4.296 1.00 14.80 H new ATOM 0 HG21 ILE A 94 -2.778 23.312 3.210 1.00 15.27 H new ATOM 0 HG22 ILE A 94 -2.334 23.262 1.487 1.00 15.27 H new ATOM 0 HG23 ILE A 94 -4.037 23.467 1.962 1.00 15.27 H new ATOM 0 HD11 ILE A 94 -6.271 21.219 4.024 1.00 15.38 H new ATOM 0 HD12 ILE A 94 -5.618 22.666 3.219 1.00 15.38 H new ATOM 0 HD13 ILE A 94 -6.089 21.247 2.254 1.00 15.38 H new ATOM 1264 N MET A 95 -1.474 21.242 -0.016 1.00 14.23 N ATOM 1265 CA MET A 95 -0.379 21.697 -0.881 1.00 14.59 C ATOM 1266 C MET A 95 -0.375 23.228 -0.981 1.00 14.93 C ATOM 1267 O MET A 95 0.124 23.882 -0.041 1.00 15.26 O ATOM 1268 CB MET A 95 -0.434 21.032 -2.274 1.00 14.98 C ATOM 1269 CG MET A 95 0.730 21.405 -3.193 1.00 15.22 C ATOM 1270 SD MET A 95 0.654 20.574 -4.804 1.00 15.95 S ATOM 1271 CE MET A 95 2.146 21.214 -5.571 1.00 16.63 C ATOM 1272 OXT MET A 95 -0.867 23.778 -1.978 1.00 15.00 O ATOM 0 H MET A 95 -1.147 20.747 0.814 1.00 14.23 H new ATOM 0 HA MET A 95 0.561 21.386 -0.425 1.00 14.59 H new ATOM 0 HB2 MET A 95 -0.450 19.950 -2.147 1.00 14.98 H new ATOM 0 HB3 MET A 95 -1.369 21.309 -2.760 1.00 14.98 H new ATOM 0 HG2 MET A 95 0.733 22.484 -3.347 1.00 15.22 H new ATOM 0 HG3 MET A 95 1.669 21.150 -2.703 1.00 15.22 H new ATOM 0 HE1 MET A 95 2.247 20.798 -6.573 1.00 16.63 H new ATOM 0 HE2 MET A 95 2.086 22.301 -5.634 1.00 16.63 H new ATOM 0 HE3 MET A 95 3.012 20.933 -4.972 1.00 16.63 H new TER 1282 MET A 95