USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 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 28 MET CE :methyl -139:sc= -0.553 (180deg=-0.979) USER MOD Set 1.2: A 33 SER OG : rot -150:sc= -0.457 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.278 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 53:sc= 0.0789 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc=-0.00934 X(o=-0.0093,f=0.17) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -3.1 K(o=-3.1,f=-0.49) USER MOD Single : A 45 GLN : amide:sc= -2.77 K(o=-2.8,f=-7.4!) USER MOD Single : A 47 CYS SG : rot -58:sc= 0.165 USER MOD Single : A 48 CYS SG : rot 8:sc= -2.88! USER MOD Single : A 51 TYR OH : rot -140:sc= -2.23 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -150:sc= -1.04 USER MOD Single : A 65 THR OG1 : rot -179:sc= -3.54! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.950 -7.777 11.504 1.00 0.00 N ATOM 2 CA GLY A 1 21.871 -6.430 12.042 1.00 0.00 C ATOM 3 C GLY A 1 21.402 -5.439 10.974 1.00 0.00 C ATOM 4 O GLY A 1 20.207 -5.177 10.847 1.00 0.00 O ATOM 0 H1 GLY A 1 22.270 -8.430 12.248 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.012 -8.071 11.166 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.625 -7.796 10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.183 -6.412 12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.848 -6.128 12.420 1.00 0.00 H new ATOM 8 N SER A 2 22.368 -4.915 10.234 1.00 0.00 N ATOM 9 CA SER A 2 22.070 -3.959 9.181 1.00 0.00 C ATOM 10 C SER A 2 23.278 -3.807 8.255 1.00 0.00 C ATOM 11 O SER A 2 24.408 -4.087 8.652 1.00 0.00 O ATOM 12 CB SER A 2 21.675 -2.602 9.766 1.00 0.00 C ATOM 13 OG SER A 2 20.262 -2.417 9.780 1.00 0.00 O ATOM 0 H SER A 2 23.358 -5.134 10.343 1.00 0.00 H new ATOM 0 HA SER A 2 21.225 -4.336 8.605 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.061 -2.519 10.782 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.139 -1.807 9.182 1.00 0.00 H new ATOM 0 HG SER A 2 19.829 -3.229 10.117 1.00 0.00 H new ATOM 19 N SER A 3 22.998 -3.365 7.038 1.00 0.00 N ATOM 20 CA SER A 3 24.048 -3.173 6.051 1.00 0.00 C ATOM 21 C SER A 3 23.603 -2.146 5.008 1.00 0.00 C ATOM 22 O SER A 3 24.256 -1.120 4.824 1.00 0.00 O ATOM 23 CB SER A 3 24.415 -4.494 5.373 1.00 0.00 C ATOM 24 OG SER A 3 25.826 -4.668 5.273 1.00 0.00 O ATOM 0 H SER A 3 22.059 -3.134 6.712 1.00 0.00 H new ATOM 0 HA SER A 3 24.935 -2.801 6.563 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.986 -5.322 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.974 -4.525 4.377 1.00 0.00 H new ATOM 0 HG SER A 3 26.020 -5.524 4.836 1.00 0.00 H new ATOM 30 N GLY A 4 22.496 -2.459 4.351 1.00 0.00 N ATOM 31 CA GLY A 4 21.956 -1.576 3.330 1.00 0.00 C ATOM 32 C GLY A 4 20.439 -1.734 3.216 1.00 0.00 C ATOM 33 O GLY A 4 19.798 -2.281 4.112 1.00 0.00 O ATOM 0 H GLY A 4 21.958 -3.312 4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.200 -0.542 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.422 -1.797 2.370 1.00 0.00 H new ATOM 37 N SER A 5 19.908 -1.245 2.105 1.00 0.00 N ATOM 38 CA SER A 5 18.477 -1.324 1.861 1.00 0.00 C ATOM 39 C SER A 5 18.215 -1.874 0.457 1.00 0.00 C ATOM 40 O SER A 5 18.079 -1.110 -0.497 1.00 0.00 O ATOM 41 CB SER A 5 17.813 0.044 2.027 1.00 0.00 C ATOM 42 OG SER A 5 18.549 1.077 1.378 1.00 0.00 O ATOM 0 H SER A 5 20.443 -0.793 1.364 1.00 0.00 H new ATOM 0 HA SER A 5 18.042 -2.000 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.803 0.008 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.721 0.276 3.088 1.00 0.00 H new ATOM 0 HG SER A 5 18.703 0.830 0.442 1.00 0.00 H new ATOM 48 N SER A 6 18.153 -3.195 0.376 1.00 0.00 N ATOM 49 CA SER A 6 17.910 -3.856 -0.895 1.00 0.00 C ATOM 50 C SER A 6 17.331 -5.252 -0.656 1.00 0.00 C ATOM 51 O SER A 6 17.763 -5.960 0.252 1.00 0.00 O ATOM 52 CB SER A 6 19.193 -3.947 -1.722 1.00 0.00 C ATOM 53 OG SER A 6 18.923 -4.031 -3.119 1.00 0.00 O ATOM 0 H SER A 6 18.267 -3.825 1.170 1.00 0.00 H new ATOM 0 HA SER A 6 17.189 -3.263 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.814 -3.073 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.764 -4.821 -1.410 1.00 0.00 H new ATOM 0 HG SER A 6 19.768 -4.086 -3.613 1.00 0.00 H new ATOM 59 N GLY A 7 16.363 -5.607 -1.488 1.00 0.00 N ATOM 60 CA GLY A 7 15.721 -6.906 -1.379 1.00 0.00 C ATOM 61 C GLY A 7 14.624 -6.888 -0.312 1.00 0.00 C ATOM 62 O GLY A 7 13.447 -7.061 -0.624 1.00 0.00 O ATOM 0 H GLY A 7 16.008 -5.018 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.293 -7.186 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.464 -7.663 -1.129 1.00 0.00 H new ATOM 66 N GLY A 8 15.050 -6.676 0.925 1.00 0.00 N ATOM 67 CA GLY A 8 14.119 -6.634 2.040 1.00 0.00 C ATOM 68 C GLY A 8 13.258 -5.370 1.987 1.00 0.00 C ATOM 69 O GLY A 8 13.339 -4.522 2.874 1.00 0.00 O ATOM 0 H GLY A 8 16.027 -6.532 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.479 -7.516 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.670 -6.664 2.980 1.00 0.00 H new ATOM 73 N THR A 9 12.454 -5.284 0.938 1.00 0.00 N ATOM 74 CA THR A 9 11.579 -4.138 0.758 1.00 0.00 C ATOM 75 C THR A 9 10.291 -4.557 0.046 1.00 0.00 C ATOM 76 O THR A 9 10.125 -5.723 -0.309 1.00 0.00 O ATOM 77 CB THR A 9 12.362 -3.058 0.009 1.00 0.00 C ATOM 78 OG1 THR A 9 13.059 -3.775 -1.006 1.00 0.00 O ATOM 79 CG2 THR A 9 13.474 -2.444 0.862 1.00 0.00 C ATOM 0 H THR A 9 12.390 -5.989 0.204 1.00 0.00 H new ATOM 0 HA THR A 9 11.265 -3.726 1.717 1.00 0.00 H new ATOM 0 HB THR A 9 11.678 -2.274 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.592 -3.150 -1.541 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.999 -1.684 0.283 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.040 -1.988 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.177 -3.223 1.159 1.00 0.00 H new ATOM 87 N VAL A 10 9.412 -3.583 -0.141 1.00 0.00 N ATOM 88 CA VAL A 10 8.144 -3.837 -0.804 1.00 0.00 C ATOM 89 C VAL A 10 7.821 -2.671 -1.741 1.00 0.00 C ATOM 90 O VAL A 10 8.223 -1.537 -1.487 1.00 0.00 O ATOM 91 CB VAL A 10 7.051 -4.088 0.237 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.660 -3.947 -0.384 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.222 -5.459 0.893 1.00 0.00 C ATOM 0 H VAL A 10 9.553 -2.617 0.155 1.00 0.00 H new ATOM 0 HA VAL A 10 8.206 -4.738 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 10 7.149 -3.331 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.902 -4.130 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.539 -2.939 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.547 -4.671 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.432 -5.611 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.164 -6.237 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.192 -5.507 1.387 1.00 0.00 H new ATOM 103 N LYS A 11 7.098 -2.991 -2.804 1.00 0.00 N ATOM 104 CA LYS A 11 6.717 -1.984 -3.780 1.00 0.00 C ATOM 105 C LYS A 11 5.305 -1.485 -3.466 1.00 0.00 C ATOM 106 O LYS A 11 4.384 -2.282 -3.297 1.00 0.00 O ATOM 107 CB LYS A 11 6.875 -2.529 -5.201 1.00 0.00 C ATOM 108 CG LYS A 11 7.961 -1.767 -5.963 1.00 0.00 C ATOM 109 CD LYS A 11 8.107 -2.300 -7.390 1.00 0.00 C ATOM 110 CE LYS A 11 9.555 -2.695 -7.682 1.00 0.00 C ATOM 111 NZ LYS A 11 9.956 -2.234 -9.030 1.00 0.00 N ATOM 0 H LYS A 11 6.766 -3.933 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 11 7.381 -1.122 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.129 -3.588 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.927 -2.447 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.714 -0.706 -5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.912 -1.859 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.456 -3.163 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.783 -1.540 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.215 -2.261 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.664 -3.777 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.942 -2.510 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.337 -2.668 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.871 -1.199 -9.082 1.00 0.00 H new ATOM 125 N VAL A 12 5.180 -0.168 -3.397 1.00 0.00 N ATOM 126 CA VAL A 12 3.896 0.448 -3.107 1.00 0.00 C ATOM 127 C VAL A 12 3.473 1.318 -4.292 1.00 0.00 C ATOM 128 O VAL A 12 4.309 1.963 -4.923 1.00 0.00 O ATOM 129 CB VAL A 12 3.975 1.226 -1.792 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.701 2.041 -1.560 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.246 0.287 -0.615 1.00 0.00 C ATOM 0 H VAL A 12 5.947 0.490 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 12 3.128 -0.314 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 12 4.810 1.923 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.783 2.584 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.568 2.749 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.843 1.370 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.297 0.865 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.441 -0.444 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.193 -0.230 -0.772 1.00 0.00 H new ATOM 141 N TYR A 13 2.175 1.308 -4.558 1.00 0.00 N ATOM 142 CA TYR A 13 1.630 2.089 -5.656 1.00 0.00 C ATOM 143 C TYR A 13 0.701 3.188 -5.139 1.00 0.00 C ATOM 144 O TYR A 13 -0.320 2.901 -4.516 1.00 0.00 O ATOM 145 CB TYR A 13 0.819 1.110 -6.507 1.00 0.00 C ATOM 146 CG TYR A 13 1.671 0.217 -7.412 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.470 0.783 -8.384 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.639 -1.154 -7.256 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.272 -0.057 -9.235 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.441 -1.994 -8.107 1.00 0.00 C ATOM 151 CZ TYR A 13 3.218 -1.404 -9.055 1.00 0.00 C ATOM 152 OH TYR A 13 3.975 -2.198 -9.859 1.00 0.00 O ATOM 0 H TYR A 13 1.485 0.772 -4.032 1.00 0.00 H new ATOM 0 HA TYR A 13 2.430 2.570 -6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.224 0.479 -5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.120 1.674 -7.125 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.494 1.856 -8.506 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.012 -1.597 -6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.902 0.373 -9.999 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.426 -3.068 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 13 3.836 -3.137 -9.615 1.00 0.00 H new ATOM 162 N LEU A 14 1.087 4.425 -5.418 1.00 0.00 N ATOM 163 CA LEU A 14 0.302 5.569 -4.988 1.00 0.00 C ATOM 164 C LEU A 14 -0.726 5.911 -6.069 1.00 0.00 C ATOM 165 O LEU A 14 -0.547 5.560 -7.234 1.00 0.00 O ATOM 166 CB LEU A 14 1.216 6.739 -4.618 1.00 0.00 C ATOM 167 CG LEU A 14 1.827 6.694 -3.216 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.100 7.540 -3.145 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.803 7.111 -2.158 1.00 0.00 C ATOM 0 H LEU A 14 1.933 4.659 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.254 5.330 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.027 6.785 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.647 7.664 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 14 2.112 5.664 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.514 7.491 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.831 7.157 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.863 8.575 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.263 7.070 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.465 8.128 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.049 6.433 -2.189 1.00 0.00 H new ATOM 181 N PRO A 15 -1.808 6.609 -5.633 1.00 0.00 N ATOM 182 CA PRO A 15 -2.865 7.002 -6.550 1.00 0.00 C ATOM 183 C PRO A 15 -2.421 8.173 -7.429 1.00 0.00 C ATOM 184 O PRO A 15 -3.093 9.201 -7.487 1.00 0.00 O ATOM 185 CB PRO A 15 -4.050 7.343 -5.661 1.00 0.00 C ATOM 186 CG PRO A 15 -3.477 7.577 -4.273 1.00 0.00 C ATOM 187 CD PRO A 15 -2.054 7.042 -4.260 1.00 0.00 C ATOM 0 HA PRO A 15 -3.126 6.212 -7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.568 8.231 -6.024 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.777 6.531 -5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.488 8.639 -4.030 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.082 7.072 -3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.345 7.811 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.949 6.214 -3.559 1.00 0.00 H new ATOM 195 N ASN A 16 -1.290 7.977 -8.092 1.00 0.00 N ATOM 196 CA ASN A 16 -0.748 9.004 -8.965 1.00 0.00 C ATOM 197 C ASN A 16 0.144 8.349 -10.023 1.00 0.00 C ATOM 198 O ASN A 16 1.037 8.993 -10.572 1.00 0.00 O ATOM 199 CB ASN A 16 0.106 10.002 -8.180 1.00 0.00 C ATOM 200 CG ASN A 16 0.111 11.373 -8.859 1.00 0.00 C ATOM 201 OD1 ASN A 16 0.876 11.639 -9.772 1.00 0.00 O ATOM 202 ND2 ASN A 16 -0.782 12.225 -8.365 1.00 0.00 N ATOM 0 H ASN A 16 -0.735 7.123 -8.042 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.584 9.530 -9.426 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.280 10.096 -7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.127 9.628 -8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.857 13.166 -8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.392 11.938 -7.600 1.00 0.00 H new ATOM 209 N LYS A 17 -0.129 7.078 -10.276 1.00 0.00 N ATOM 210 CA LYS A 17 0.637 6.329 -11.257 1.00 0.00 C ATOM 211 C LYS A 17 2.086 6.207 -10.782 1.00 0.00 C ATOM 212 O LYS A 17 2.962 5.807 -11.547 1.00 0.00 O ATOM 213 CB LYS A 17 0.495 6.961 -12.643 1.00 0.00 C ATOM 214 CG LYS A 17 -0.732 6.412 -13.374 1.00 0.00 C ATOM 215 CD LYS A 17 -0.551 6.498 -14.891 1.00 0.00 C ATOM 216 CE LYS A 17 -1.435 5.474 -15.607 1.00 0.00 C ATOM 217 NZ LYS A 17 -2.821 5.978 -15.725 1.00 0.00 N ATOM 0 H LYS A 17 -0.870 6.548 -9.818 1.00 0.00 H new ATOM 0 HA LYS A 17 0.247 5.316 -11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.411 8.043 -12.546 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.391 6.763 -13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.900 5.375 -13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.618 6.974 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.800 7.502 -15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.494 6.324 -15.147 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.032 5.267 -16.598 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.430 4.533 -15.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.407 5.271 -16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.209 6.153 -14.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.823 6.864 -16.269 1.00 0.00 H new ATOM 231 N GLN A 18 2.293 6.560 -9.522 1.00 0.00 N ATOM 232 CA GLN A 18 3.621 6.495 -8.935 1.00 0.00 C ATOM 233 C GLN A 18 3.710 5.328 -7.950 1.00 0.00 C ATOM 234 O GLN A 18 2.690 4.762 -7.558 1.00 0.00 O ATOM 235 CB GLN A 18 3.985 7.816 -8.255 1.00 0.00 C ATOM 236 CG GLN A 18 4.281 8.903 -9.291 1.00 0.00 C ATOM 237 CD GLN A 18 5.787 9.129 -9.433 1.00 0.00 C ATOM 238 OE1 GLN A 18 6.443 8.585 -10.306 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.297 9.960 -8.529 1.00 0.00 N ATOM 0 H GLN A 18 1.564 6.892 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 18 4.342 6.325 -9.734 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.165 8.136 -7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.855 7.672 -7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.860 8.616 -10.255 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.796 9.834 -8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.691 10.382 -7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.294 10.176 -8.540 1.00 0.00 H new ATOM 248 N ARG A 19 4.939 5.002 -7.577 1.00 0.00 N ATOM 249 CA ARG A 19 5.174 3.913 -6.645 1.00 0.00 C ATOM 250 C ARG A 19 6.376 4.229 -5.751 1.00 0.00 C ATOM 251 O ARG A 19 7.257 4.996 -6.138 1.00 0.00 O ATOM 252 CB ARG A 19 5.430 2.599 -7.386 1.00 0.00 C ATOM 253 CG ARG A 19 6.583 2.747 -8.381 1.00 0.00 C ATOM 254 CD ARG A 19 6.059 3.039 -9.788 1.00 0.00 C ATOM 255 NE ARG A 19 6.682 4.274 -10.314 1.00 0.00 N ATOM 256 CZ ARG A 19 6.672 4.629 -11.606 1.00 0.00 C ATOM 257 NH1 ARG A 19 6.071 3.845 -12.512 1.00 0.00 N ATOM 258 NH2 ARG A 19 7.263 5.768 -11.993 1.00 0.00 N ATOM 0 H ARG A 19 5.783 5.473 -7.904 1.00 0.00 H new ATOM 0 HA ARG A 19 4.280 3.803 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.663 1.812 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.527 2.293 -7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.243 3.553 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.177 1.833 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.280 2.201 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.975 3.150 -9.765 1.00 0.00 H new ATOM 0 HE ARG A 19 7.148 4.894 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.621 2.978 -12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.063 4.115 -13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.721 6.365 -11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.255 6.038 -12.977 1.00 0.00 H new ATOM 272 N THR A 20 6.372 3.622 -4.574 1.00 0.00 N ATOM 273 CA THR A 20 7.451 3.829 -3.622 1.00 0.00 C ATOM 274 C THR A 20 7.851 2.503 -2.972 1.00 0.00 C ATOM 275 O THR A 20 6.995 1.672 -2.671 1.00 0.00 O ATOM 276 CB THR A 20 6.996 4.887 -2.615 1.00 0.00 C ATOM 277 OG1 THR A 20 8.176 5.193 -1.876 1.00 0.00 O ATOM 278 CG2 THR A 20 6.036 4.322 -1.566 1.00 0.00 C ATOM 0 H THR A 20 5.639 2.987 -4.257 1.00 0.00 H new ATOM 0 HA THR A 20 8.350 4.196 -4.117 1.00 0.00 H new ATOM 0 HB THR A 20 6.513 5.708 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.972 5.873 -1.201 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.744 5.114 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.149 3.926 -2.060 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.530 3.523 -1.013 1.00 0.00 H new ATOM 286 N VAL A 21 9.152 2.346 -2.775 1.00 0.00 N ATOM 287 CA VAL A 21 9.675 1.136 -2.166 1.00 0.00 C ATOM 288 C VAL A 21 9.815 1.347 -0.658 1.00 0.00 C ATOM 289 O VAL A 21 10.487 2.279 -0.217 1.00 0.00 O ATOM 290 CB VAL A 21 10.992 0.739 -2.838 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.207 -0.774 -2.772 1.00 0.00 C ATOM 292 CG2 VAL A 21 11.041 1.237 -4.284 1.00 0.00 C ATOM 0 H VAL A 21 9.859 3.037 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 21 8.985 0.306 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 21 11.805 1.217 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.150 -1.029 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.237 -1.092 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.388 -1.281 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.987 0.942 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.216 0.801 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.955 2.324 -4.298 1.00 0.00 H new ATOM 302 N VAL A 22 9.169 0.467 0.094 1.00 0.00 N ATOM 303 CA VAL A 22 9.212 0.546 1.544 1.00 0.00 C ATOM 304 C VAL A 22 10.035 -0.623 2.089 1.00 0.00 C ATOM 305 O VAL A 22 10.356 -1.556 1.356 1.00 0.00 O ATOM 306 CB VAL A 22 7.791 0.593 2.108 1.00 0.00 C ATOM 307 CG1 VAL A 22 7.810 0.793 3.625 1.00 0.00 C ATOM 308 CG2 VAL A 22 6.964 1.681 1.421 1.00 0.00 C ATOM 0 H VAL A 22 8.613 -0.305 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 22 9.703 1.465 1.863 1.00 0.00 H new ATOM 0 HB VAL A 22 7.317 -0.367 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.787 0.823 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.345 -0.033 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.311 1.731 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.958 1.693 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.435 2.651 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.909 1.475 0.352 1.00 0.00 H new ATOM 318 N THR A 23 10.351 -0.534 3.373 1.00 0.00 N ATOM 319 CA THR A 23 11.130 -1.573 4.025 1.00 0.00 C ATOM 320 C THR A 23 10.208 -2.545 4.764 1.00 0.00 C ATOM 321 O THR A 23 9.197 -2.137 5.333 1.00 0.00 O ATOM 322 CB THR A 23 12.154 -0.894 4.937 1.00 0.00 C ATOM 323 OG1 THR A 23 12.868 -0.021 4.067 1.00 0.00 O ATOM 324 CG2 THR A 23 13.220 -1.866 5.447 1.00 0.00 C ATOM 0 H THR A 23 10.082 0.241 3.979 1.00 0.00 H new ATOM 0 HA THR A 23 11.672 -2.177 3.297 1.00 0.00 H new ATOM 0 HB THR A 23 11.641 -0.441 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.552 0.461 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.921 -1.333 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.743 -2.664 6.015 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.757 -2.294 4.600 1.00 0.00 H new ATOM 332 N VAL A 24 10.591 -3.813 4.733 1.00 0.00 N ATOM 333 CA VAL A 24 9.812 -4.847 5.393 1.00 0.00 C ATOM 334 C VAL A 24 10.346 -5.055 6.811 1.00 0.00 C ATOM 335 O VAL A 24 11.448 -5.571 6.994 1.00 0.00 O ATOM 336 CB VAL A 24 9.825 -6.127 4.555 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.596 -6.989 4.852 1.00 0.00 C ATOM 338 CG2 VAL A 24 9.921 -5.805 3.062 1.00 0.00 C ATOM 0 H VAL A 24 11.431 -4.148 4.261 1.00 0.00 H new ATOM 0 HA VAL A 24 8.769 -4.542 5.480 1.00 0.00 H new ATOM 0 HB VAL A 24 10.711 -6.699 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.630 -7.893 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.590 -7.262 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.692 -6.427 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.928 -6.733 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.064 -5.202 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.840 -5.251 2.868 1.00 0.00 H new ATOM 348 N ARG A 25 9.541 -4.643 7.779 1.00 0.00 N ATOM 349 CA ARG A 25 9.919 -4.778 9.175 1.00 0.00 C ATOM 350 C ARG A 25 8.888 -5.625 9.925 1.00 0.00 C ATOM 351 O ARG A 25 7.694 -5.333 9.887 1.00 0.00 O ATOM 352 CB ARG A 25 10.032 -3.410 9.850 1.00 0.00 C ATOM 353 CG ARG A 25 10.912 -2.465 9.029 1.00 0.00 C ATOM 354 CD ARG A 25 11.617 -1.449 9.931 1.00 0.00 C ATOM 355 NE ARG A 25 12.441 -2.154 10.939 1.00 0.00 N ATOM 356 CZ ARG A 25 13.279 -1.540 11.785 1.00 0.00 C ATOM 357 NH1 ARG A 25 13.410 -0.207 11.750 1.00 0.00 N ATOM 358 NH2 ARG A 25 13.987 -2.260 12.666 1.00 0.00 N ATOM 0 H ARG A 25 8.628 -4.215 7.624 1.00 0.00 H new ATOM 0 HA ARG A 25 10.892 -5.269 9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.039 -2.976 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.451 -3.527 10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.653 -3.042 8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.302 -1.941 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.246 -0.792 9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.880 -0.818 10.428 1.00 0.00 H new ATOM 0 HE ARG A 25 12.366 -3.170 10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.872 0.341 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.048 0.260 12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.888 -3.275 12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.625 -1.793 13.310 1.00 0.00 H new ATOM 372 N ASP A 26 9.388 -6.657 10.589 1.00 0.00 N ATOM 373 CA ASP A 26 8.526 -7.548 11.347 1.00 0.00 C ATOM 374 C ASP A 26 8.271 -6.949 12.732 1.00 0.00 C ATOM 375 O ASP A 26 8.878 -7.371 13.715 1.00 0.00 O ATOM 376 CB ASP A 26 9.180 -8.918 11.537 1.00 0.00 C ATOM 377 CG ASP A 26 10.503 -8.902 12.305 1.00 0.00 C ATOM 378 OD1 ASP A 26 11.516 -8.521 11.681 1.00 0.00 O ATOM 379 OD2 ASP A 26 10.470 -9.271 13.499 1.00 0.00 O ATOM 0 H ASP A 26 10.379 -6.896 10.618 1.00 0.00 H new ATOM 0 HA ASP A 26 7.595 -7.667 10.793 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.480 -9.568 12.062 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.352 -9.361 10.556 1.00 0.00 H new ATOM 384 N GLY A 27 7.373 -5.976 12.765 1.00 0.00 N ATOM 385 CA GLY A 27 7.031 -5.315 14.013 1.00 0.00 C ATOM 386 C GLY A 27 5.995 -4.213 13.784 1.00 0.00 C ATOM 387 O GLY A 27 4.901 -4.258 14.343 1.00 0.00 O ATOM 0 H GLY A 27 6.871 -5.629 11.947 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.639 -6.046 14.720 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.929 -4.888 14.460 1.00 0.00 H new ATOM 391 N MET A 28 6.377 -3.248 12.960 1.00 0.00 N ATOM 392 CA MET A 28 5.495 -2.135 12.650 1.00 0.00 C ATOM 393 C MET A 28 4.227 -2.621 11.944 1.00 0.00 C ATOM 394 O MET A 28 4.104 -3.803 11.626 1.00 0.00 O ATOM 395 CB MET A 28 6.228 -1.137 11.752 1.00 0.00 C ATOM 396 CG MET A 28 6.394 -1.691 10.336 1.00 0.00 C ATOM 397 SD MET A 28 7.720 -0.839 9.499 1.00 0.00 S ATOM 398 CE MET A 28 6.946 0.746 9.226 1.00 0.00 C ATOM 0 H MET A 28 7.285 -3.214 12.497 1.00 0.00 H new ATOM 0 HA MET A 28 5.207 -1.653 13.584 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.674 -0.199 11.717 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.207 -0.913 12.175 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.606 -2.759 10.377 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.465 -1.572 9.779 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.197 1.107 8.229 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.864 0.642 9.313 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.303 1.458 9.970 1.00 0.00 H new ATOM 408 N SER A 29 3.317 -1.685 11.721 1.00 0.00 N ATOM 409 CA SER A 29 2.063 -2.003 11.058 1.00 0.00 C ATOM 410 C SER A 29 2.063 -1.435 9.638 1.00 0.00 C ATOM 411 O SER A 29 3.066 -0.885 9.185 1.00 0.00 O ATOM 412 CB SER A 29 0.870 -1.460 11.848 1.00 0.00 C ATOM 413 OG SER A 29 0.955 -0.051 12.041 1.00 0.00 O ATOM 0 H SER A 29 3.422 -0.706 11.987 1.00 0.00 H new ATOM 0 HA SER A 29 1.968 -3.088 11.008 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.053 -1.699 11.320 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.821 -1.956 12.817 1.00 0.00 H new ATOM 0 HG SER A 29 0.175 0.257 12.548 1.00 0.00 H new ATOM 419 N VAL A 30 0.927 -1.587 8.974 1.00 0.00 N ATOM 420 CA VAL A 30 0.783 -1.096 7.614 1.00 0.00 C ATOM 421 C VAL A 30 0.554 0.416 7.644 1.00 0.00 C ATOM 422 O VAL A 30 0.978 1.130 6.736 1.00 0.00 O ATOM 423 CB VAL A 30 -0.337 -1.856 6.899 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.519 -1.345 5.468 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.073 -3.363 6.914 1.00 0.00 C ATOM 0 H VAL A 30 0.097 -2.043 9.353 1.00 0.00 H new ATOM 0 HA VAL A 30 1.695 -1.276 7.045 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.265 -1.673 7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.321 -1.901 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.774 -0.286 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.408 -1.484 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.883 -3.879 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.870 -3.572 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.017 -3.712 7.945 1.00 0.00 H new ATOM 435 N TYR A 31 -0.115 0.861 8.698 1.00 0.00 N ATOM 436 CA TYR A 31 -0.405 2.276 8.858 1.00 0.00 C ATOM 437 C TYR A 31 0.885 3.090 8.971 1.00 0.00 C ATOM 438 O TYR A 31 1.129 3.987 8.165 1.00 0.00 O ATOM 439 CB TYR A 31 -1.189 2.400 10.166 1.00 0.00 C ATOM 440 CG TYR A 31 -1.337 3.838 10.668 1.00 0.00 C ATOM 441 CD1 TYR A 31 -2.366 4.629 10.200 1.00 0.00 C ATOM 442 CD2 TYR A 31 -0.443 4.343 11.590 1.00 0.00 C ATOM 443 CE1 TYR A 31 -2.506 5.982 10.672 1.00 0.00 C ATOM 444 CE2 TYR A 31 -0.583 5.696 12.062 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.608 6.449 11.580 1.00 0.00 C ATOM 446 OH TYR A 31 -1.740 7.727 12.026 1.00 0.00 O ATOM 0 H TYR A 31 -0.464 0.266 9.450 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.961 2.654 8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.181 1.971 10.025 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.691 1.807 10.934 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.067 4.233 9.480 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.362 3.723 11.957 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.306 6.612 10.313 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.110 6.104 12.783 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.029 7.923 12.672 1.00 0.00 H new ATOM 456 N ASP A 32 1.677 2.749 9.976 1.00 0.00 N ATOM 457 CA ASP A 32 2.936 3.437 10.205 1.00 0.00 C ATOM 458 C ASP A 32 3.848 3.238 8.993 1.00 0.00 C ATOM 459 O ASP A 32 4.765 4.026 8.765 1.00 0.00 O ATOM 460 CB ASP A 32 3.654 2.878 11.435 1.00 0.00 C ATOM 461 CG ASP A 32 3.577 3.757 12.684 1.00 0.00 C ATOM 462 OD1 ASP A 32 3.386 4.980 12.507 1.00 0.00 O ATOM 463 OD2 ASP A 32 3.710 3.187 13.788 1.00 0.00 O ATOM 0 H ASP A 32 1.471 2.004 10.642 1.00 0.00 H new ATOM 0 HA ASP A 32 2.719 4.493 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.232 1.901 11.670 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.703 2.720 11.184 1.00 0.00 H new ATOM 468 N SER A 33 3.566 2.180 8.247 1.00 0.00 N ATOM 469 CA SER A 33 4.349 1.868 7.064 1.00 0.00 C ATOM 470 C SER A 33 3.914 2.757 5.898 1.00 0.00 C ATOM 471 O SER A 33 4.706 3.548 5.387 1.00 0.00 O ATOM 472 CB SER A 33 4.211 0.391 6.686 1.00 0.00 C ATOM 473 OG SER A 33 5.354 -0.368 7.072 1.00 0.00 O ATOM 0 H SER A 33 2.806 1.528 8.439 1.00 0.00 H new ATOM 0 HA SER A 33 5.398 2.062 7.288 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.323 -0.024 7.162 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.065 0.304 5.609 1.00 0.00 H new ATOM 0 HG SER A 33 5.474 -1.117 6.452 1.00 0.00 H new ATOM 479 N LEU A 34 2.657 2.598 5.511 1.00 0.00 N ATOM 480 CA LEU A 34 2.107 3.377 4.415 1.00 0.00 C ATOM 481 C LEU A 34 2.010 4.845 4.836 1.00 0.00 C ATOM 482 O LEU A 34 1.889 5.730 3.991 1.00 0.00 O ATOM 483 CB LEU A 34 0.777 2.782 3.949 1.00 0.00 C ATOM 484 CG LEU A 34 0.861 1.757 2.816 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.492 2.374 1.565 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.601 0.497 3.269 1.00 0.00 C ATOM 0 H LEU A 34 2.004 1.941 5.937 1.00 0.00 H new ATOM 0 HA LEU A 34 2.769 3.336 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.293 2.310 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.130 3.598 3.627 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.153 1.457 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.540 1.625 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.887 3.217 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.499 2.720 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.646 -0.215 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.613 0.760 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.072 0.046 4.109 1.00 0.00 H new ATOM 498 N ASP A 35 2.065 5.057 6.143 1.00 0.00 N ATOM 499 CA ASP A 35 1.985 6.402 6.687 1.00 0.00 C ATOM 500 C ASP A 35 2.776 7.358 5.791 1.00 0.00 C ATOM 501 O ASP A 35 2.191 8.140 5.042 1.00 0.00 O ATOM 502 CB ASP A 35 2.587 6.465 8.092 1.00 0.00 C ATOM 503 CG ASP A 35 2.822 7.877 8.632 1.00 0.00 C ATOM 504 OD1 ASP A 35 2.021 8.765 8.268 1.00 0.00 O ATOM 505 OD2 ASP A 35 3.798 8.037 9.396 1.00 0.00 O ATOM 0 H ASP A 35 2.164 4.320 6.841 1.00 0.00 H new ATOM 0 HA ASP A 35 0.933 6.685 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.926 5.935 8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.537 5.931 8.088 1.00 0.00 H new ATOM 510 N LYS A 36 4.093 7.264 5.897 1.00 0.00 N ATOM 511 CA LYS A 36 4.970 8.110 5.105 1.00 0.00 C ATOM 512 C LYS A 36 4.554 8.035 3.635 1.00 0.00 C ATOM 513 O LYS A 36 4.371 9.063 2.984 1.00 0.00 O ATOM 514 CB LYS A 36 6.434 7.741 5.350 1.00 0.00 C ATOM 515 CG LYS A 36 7.317 8.991 5.376 1.00 0.00 C ATOM 516 CD LYS A 36 8.504 8.844 4.421 1.00 0.00 C ATOM 517 CE LYS A 36 8.270 9.635 3.132 1.00 0.00 C ATOM 518 NZ LYS A 36 9.046 10.895 3.150 1.00 0.00 N ATOM 0 H LYS A 36 4.574 6.615 6.519 1.00 0.00 H new ATOM 0 HA LYS A 36 4.872 9.152 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.525 7.207 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.778 7.064 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.727 9.864 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.680 9.163 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.413 9.196 4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.656 7.791 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.562 9.033 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.208 9.856 3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.876 11.420 2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.748 11.474 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.060 10.677 3.234 1.00 0.00 H new ATOM 532 N ALA A 37 4.416 6.808 3.154 1.00 0.00 N ATOM 533 CA ALA A 37 4.025 6.585 1.773 1.00 0.00 C ATOM 534 C ALA A 37 2.895 7.549 1.405 1.00 0.00 C ATOM 535 O ALA A 37 2.764 7.945 0.248 1.00 0.00 O ATOM 536 CB ALA A 37 3.626 5.120 1.585 1.00 0.00 C ATOM 0 H ALA A 37 4.568 5.958 3.697 1.00 0.00 H new ATOM 0 HA ALA A 37 4.860 6.784 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.333 4.953 0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.472 4.478 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.789 4.884 2.242 1.00 0.00 H new ATOM 542 N LEU A 38 2.107 7.898 2.412 1.00 0.00 N ATOM 543 CA LEU A 38 0.993 8.808 2.209 1.00 0.00 C ATOM 544 C LEU A 38 1.467 10.246 2.432 1.00 0.00 C ATOM 545 O LEU A 38 1.394 11.074 1.526 1.00 0.00 O ATOM 546 CB LEU A 38 -0.193 8.408 3.090 1.00 0.00 C ATOM 547 CG LEU A 38 -0.784 7.021 2.829 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.044 6.796 3.668 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.044 6.808 1.336 1.00 0.00 C ATOM 0 H LEU A 38 2.218 7.567 3.370 1.00 0.00 H new ATOM 0 HA LEU A 38 0.633 8.746 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.121 8.457 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.983 9.148 2.960 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.053 6.274 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.444 5.803 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.796 6.877 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.791 7.548 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.464 5.815 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.747 7.560 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.107 6.897 0.787 1.00 0.00 H new ATOM 561 N LYS A 39 1.941 10.498 3.643 1.00 0.00 N ATOM 562 CA LYS A 39 2.427 11.821 3.996 1.00 0.00 C ATOM 563 C LYS A 39 3.207 12.405 2.817 1.00 0.00 C ATOM 564 O LYS A 39 2.953 13.533 2.397 1.00 0.00 O ATOM 565 CB LYS A 39 3.229 11.767 5.298 1.00 0.00 C ATOM 566 CG LYS A 39 2.479 10.977 6.372 1.00 0.00 C ATOM 567 CD LYS A 39 0.984 11.299 6.346 1.00 0.00 C ATOM 568 CE LYS A 39 0.744 12.801 6.509 1.00 0.00 C ATOM 569 NZ LYS A 39 0.782 13.180 7.940 1.00 0.00 N ATOM 0 H LYS A 39 1.999 9.808 4.392 1.00 0.00 H new ATOM 0 HA LYS A 39 1.592 12.494 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.199 11.305 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.420 12.779 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.627 9.909 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.888 11.213 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.551 10.958 5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.478 10.757 7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.502 13.358 5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.222 13.069 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.617 14.203 8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.042 12.662 8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.713 12.942 8.338 1.00 0.00 H new ATOM 583 N VAL A 40 4.141 11.610 2.315 1.00 0.00 N ATOM 584 CA VAL A 40 4.960 12.034 1.192 1.00 0.00 C ATOM 585 C VAL A 40 4.091 12.804 0.195 1.00 0.00 C ATOM 586 O VAL A 40 4.489 13.861 -0.293 1.00 0.00 O ATOM 587 CB VAL A 40 5.657 10.824 0.566 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.644 9.741 0.190 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.493 11.239 -0.646 1.00 0.00 C ATOM 0 H VAL A 40 4.349 10.675 2.665 1.00 0.00 H new ATOM 0 HA VAL A 40 5.748 12.709 1.527 1.00 0.00 H new ATOM 0 HB VAL A 40 6.333 10.405 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.166 8.893 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.112 9.414 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.931 10.144 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.978 10.360 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.846 11.696 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.252 11.957 -0.336 1.00 0.00 H new ATOM 599 N ARG A 41 2.922 12.245 -0.078 1.00 0.00 N ATOM 600 CA ARG A 41 1.994 12.866 -1.008 1.00 0.00 C ATOM 601 C ARG A 41 1.027 13.785 -0.258 1.00 0.00 C ATOM 602 O ARG A 41 0.570 14.789 -0.804 1.00 0.00 O ATOM 603 CB ARG A 41 1.193 11.811 -1.774 1.00 0.00 C ATOM 604 CG ARG A 41 2.122 10.867 -2.540 1.00 0.00 C ATOM 605 CD ARG A 41 1.462 10.375 -3.829 1.00 0.00 C ATOM 606 NE ARG A 41 0.899 11.521 -4.578 1.00 0.00 N ATOM 607 CZ ARG A 41 1.606 12.291 -5.417 1.00 0.00 C ATOM 608 NH1 ARG A 41 2.907 12.042 -5.619 1.00 0.00 N ATOM 609 NH2 ARG A 41 1.012 13.309 -6.054 1.00 0.00 N ATOM 0 H ARG A 41 2.596 11.368 0.329 1.00 0.00 H new ATOM 0 HA ARG A 41 2.578 13.450 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.580 11.238 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.512 12.301 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.053 11.381 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.380 10.015 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.193 9.851 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.673 9.661 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.089 11.738 -4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.359 11.267 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.445 12.628 -6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.022 13.498 -5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.550 13.895 -6.692 1.00 0.00 H new ATOM 623 N GLY A 42 0.744 13.410 0.980 1.00 0.00 N ATOM 624 CA GLY A 42 -0.159 14.189 1.810 1.00 0.00 C ATOM 625 C GLY A 42 -1.477 13.444 2.033 1.00 0.00 C ATOM 626 O GLY A 42 -2.437 14.015 2.549 1.00 0.00 O ATOM 0 H GLY A 42 1.124 12.577 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.312 14.397 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.356 15.151 1.336 1.00 0.00 H new ATOM 630 N LEU A 43 -1.481 12.181 1.633 1.00 0.00 N ATOM 631 CA LEU A 43 -2.666 11.353 1.783 1.00 0.00 C ATOM 632 C LEU A 43 -2.927 11.109 3.271 1.00 0.00 C ATOM 633 O LEU A 43 -2.136 11.518 4.119 1.00 0.00 O ATOM 634 CB LEU A 43 -2.527 10.067 0.964 1.00 0.00 C ATOM 635 CG LEU A 43 -2.768 10.202 -0.541 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.137 9.035 -1.303 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.260 10.346 -0.847 1.00 0.00 C ATOM 0 H LEU A 43 -0.683 11.711 1.205 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.542 11.865 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.524 9.669 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.226 9.330 1.359 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.280 11.114 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.323 9.155 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.062 9.020 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.576 8.098 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.403 10.440 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.792 9.466 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.649 11.235 -0.350 1.00 0.00 H new ATOM 649 N ASN A 44 -4.041 10.444 3.542 1.00 0.00 N ATOM 650 CA ASN A 44 -4.417 10.141 4.912 1.00 0.00 C ATOM 651 C ASN A 44 -4.888 8.688 4.998 1.00 0.00 C ATOM 652 O ASN A 44 -5.192 8.069 3.979 1.00 0.00 O ATOM 653 CB ASN A 44 -5.565 11.039 5.379 1.00 0.00 C ATOM 654 CG ASN A 44 -5.602 11.131 6.906 1.00 0.00 C ATOM 655 OD1 ASN A 44 -4.965 11.973 7.518 1.00 0.00 O ATOM 656 ND2 ASN A 44 -6.381 10.222 7.484 1.00 0.00 N ATOM 0 H ASN A 44 -4.695 10.107 2.836 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.546 10.309 5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.448 12.036 4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.513 10.645 5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.473 10.201 8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.887 9.546 6.912 1.00 0.00 H new ATOM 663 N GLN A 45 -4.934 8.186 6.223 1.00 0.00 N ATOM 664 CA GLN A 45 -5.363 6.817 6.455 1.00 0.00 C ATOM 665 C GLN A 45 -6.836 6.786 6.870 1.00 0.00 C ATOM 666 O GLN A 45 -7.224 6.002 7.735 1.00 0.00 O ATOM 667 CB GLN A 45 -4.483 6.137 7.505 1.00 0.00 C ATOM 668 CG GLN A 45 -3.062 5.930 6.979 1.00 0.00 C ATOM 669 CD GLN A 45 -2.174 7.132 7.308 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.352 8.227 6.799 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.210 6.868 8.186 1.00 0.00 N ATOM 0 H GLN A 45 -4.681 8.702 7.066 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.256 6.260 5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.455 6.745 8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.916 5.175 7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.636 5.028 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.089 5.778 5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.117 5.929 8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.564 7.604 8.471 1.00 0.00 H new ATOM 680 N ASP A 46 -7.616 7.647 6.233 1.00 0.00 N ATOM 681 CA ASP A 46 -9.037 7.727 6.525 1.00 0.00 C ATOM 682 C ASP A 46 -9.830 7.552 5.229 1.00 0.00 C ATOM 683 O ASP A 46 -10.726 6.713 5.154 1.00 0.00 O ATOM 684 CB ASP A 46 -9.400 9.088 7.122 1.00 0.00 C ATOM 685 CG ASP A 46 -10.894 9.421 7.111 1.00 0.00 C ATOM 686 OD1 ASP A 46 -11.689 8.466 7.244 1.00 0.00 O ATOM 687 OD2 ASP A 46 -11.206 10.623 6.971 1.00 0.00 O ATOM 0 H ASP A 46 -7.291 8.295 5.516 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.279 6.943 7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.043 9.124 8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.866 9.863 6.572 1.00 0.00 H new ATOM 692 N CYS A 47 -9.472 8.358 4.240 1.00 0.00 N ATOM 693 CA CYS A 47 -10.139 8.302 2.950 1.00 0.00 C ATOM 694 C CYS A 47 -9.189 7.648 1.945 1.00 0.00 C ATOM 695 O CYS A 47 -9.079 8.098 0.806 1.00 0.00 O ATOM 696 CB CYS A 47 -10.593 9.689 2.488 1.00 0.00 C ATOM 697 SG CYS A 47 -12.267 9.588 1.756 1.00 0.00 S ATOM 0 H CYS A 47 -8.729 9.053 4.306 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.046 7.703 3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.597 10.379 3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.890 10.085 1.755 1.00 0.00 H new ATOM 0 HG CYS A 47 -12.257 8.747 0.765 1.00 0.00 H new ATOM 703 N CYS A 48 -8.527 6.596 2.404 1.00 0.00 N ATOM 704 CA CYS A 48 -7.590 5.875 1.559 1.00 0.00 C ATOM 705 C CYS A 48 -7.733 4.379 1.851 1.00 0.00 C ATOM 706 O CYS A 48 -8.302 3.994 2.871 1.00 0.00 O ATOM 707 CB CYS A 48 -6.154 6.362 1.764 1.00 0.00 C ATOM 708 SG CYS A 48 -5.960 8.046 1.074 1.00 0.00 S ATOM 0 H CYS A 48 -8.621 6.226 3.350 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.822 6.063 0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.910 6.365 2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.457 5.679 1.279 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.123 8.506 0.718 1.00 0.00 H new ATOM 714 N VAL A 49 -7.207 3.578 0.936 1.00 0.00 N ATOM 715 CA VAL A 49 -7.268 2.134 1.082 1.00 0.00 C ATOM 716 C VAL A 49 -6.041 1.506 0.419 1.00 0.00 C ATOM 717 O VAL A 49 -5.475 2.075 -0.512 1.00 0.00 O ATOM 718 CB VAL A 49 -8.589 1.606 0.517 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.823 2.124 -0.903 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.630 0.077 0.557 1.00 0.00 C ATOM 0 H VAL A 49 -6.737 3.902 0.091 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.246 1.856 2.136 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.396 1.979 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.768 1.734 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.858 3.213 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.010 1.794 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.579 -0.272 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.810 -0.325 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.530 -0.263 1.588 1.00 0.00 H new ATOM 730 N VAL A 50 -5.666 0.340 0.926 1.00 0.00 N ATOM 731 CA VAL A 50 -4.516 -0.371 0.394 1.00 0.00 C ATOM 732 C VAL A 50 -4.957 -1.753 -0.093 1.00 0.00 C ATOM 733 O VAL A 50 -5.543 -2.525 0.665 1.00 0.00 O ATOM 734 CB VAL A 50 -3.407 -0.435 1.447 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.146 -1.087 0.877 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.101 0.957 2.005 1.00 0.00 C ATOM 0 H VAL A 50 -6.138 -0.129 1.699 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.102 0.160 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.761 -1.056 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.374 -1.120 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.376 -2.101 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.788 -0.505 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.310 0.884 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.777 1.610 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.998 1.369 2.467 1.00 0.00 H new ATOM 746 N TYR A 51 -4.658 -2.023 -1.355 1.00 0.00 N ATOM 747 CA TYR A 51 -5.017 -3.298 -1.953 1.00 0.00 C ATOM 748 C TYR A 51 -3.795 -4.212 -2.068 1.00 0.00 C ATOM 749 O TYR A 51 -2.709 -3.760 -2.428 1.00 0.00 O ATOM 750 CB TYR A 51 -5.532 -2.976 -3.356 1.00 0.00 C ATOM 751 CG TYR A 51 -6.384 -1.707 -3.430 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.365 -1.478 -2.486 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.172 -0.792 -4.441 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.167 -0.284 -2.556 1.00 0.00 C ATOM 755 CE2 TYR A 51 -6.974 0.402 -4.510 1.00 0.00 C ATOM 756 CZ TYR A 51 -7.932 0.597 -3.564 1.00 0.00 C ATOM 757 OH TYR A 51 -8.689 1.725 -3.630 1.00 0.00 O ATOM 0 H TYR A 51 -4.171 -1.381 -1.980 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.760 -3.812 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.681 -2.870 -4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.121 -3.819 -3.718 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.531 -2.194 -1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.405 -0.971 -5.180 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.938 -0.093 -1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.818 1.127 -5.295 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.911 1.915 -4.565 1.00 0.00 H new ATOM 767 N ARG A 52 -4.014 -5.481 -1.757 1.00 0.00 N ATOM 768 CA ARG A 52 -2.944 -6.463 -1.821 1.00 0.00 C ATOM 769 C ARG A 52 -3.259 -7.522 -2.879 1.00 0.00 C ATOM 770 O ARG A 52 -4.400 -7.968 -2.995 1.00 0.00 O ATOM 771 CB ARG A 52 -2.742 -7.147 -0.468 1.00 0.00 C ATOM 772 CG ARG A 52 -2.779 -6.128 0.673 1.00 0.00 C ATOM 773 CD ARG A 52 -2.992 -6.821 2.020 1.00 0.00 C ATOM 774 NE ARG A 52 -4.421 -7.165 2.191 1.00 0.00 N ATOM 775 CZ ARG A 52 -4.900 -7.906 3.200 1.00 0.00 C ATOM 776 NH1 ARG A 52 -4.067 -8.384 4.134 1.00 0.00 N ATOM 777 NH2 ARG A 52 -6.212 -8.168 3.275 1.00 0.00 N ATOM 0 H ARG A 52 -4.916 -5.852 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.027 -5.938 -2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.519 -7.897 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.787 -7.672 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.846 -5.565 0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.580 -5.410 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.383 -7.723 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.667 -6.168 2.830 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.083 -6.816 1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.068 -8.184 4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.431 -8.948 4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.846 -7.804 2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.576 -8.732 4.043 1.00 0.00 H new ATOM 791 N LEU A 53 -2.228 -7.895 -3.623 1.00 0.00 N ATOM 792 CA LEU A 53 -2.381 -8.894 -4.667 1.00 0.00 C ATOM 793 C LEU A 53 -2.263 -10.290 -4.052 1.00 0.00 C ATOM 794 O LEU A 53 -1.159 -10.798 -3.863 1.00 0.00 O ATOM 795 CB LEU A 53 -1.390 -8.637 -5.803 1.00 0.00 C ATOM 796 CG LEU A 53 -1.910 -7.794 -6.969 1.00 0.00 C ATOM 797 CD1 LEU A 53 -2.542 -8.678 -8.046 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.874 -6.713 -6.477 1.00 0.00 C ATOM 0 H LEU A 53 -1.283 -7.523 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.371 -8.826 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.511 -8.144 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.060 -9.599 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.062 -7.285 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.903 -8.054 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.797 -9.378 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.376 -9.233 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.229 -6.128 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.723 -7.182 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.358 -6.058 -5.775 1.00 0.00 H new ATOM 810 N ILE A 54 -3.417 -10.871 -3.757 1.00 0.00 N ATOM 811 CA ILE A 54 -3.456 -12.199 -3.167 1.00 0.00 C ATOM 812 C ILE A 54 -3.643 -13.238 -4.274 1.00 0.00 C ATOM 813 O ILE A 54 -2.763 -14.065 -4.509 1.00 0.00 O ATOM 814 CB ILE A 54 -4.524 -12.267 -2.073 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.986 -11.721 -0.748 1.00 0.00 C ATOM 816 CG2 ILE A 54 -5.070 -13.689 -1.927 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.917 -10.193 -0.773 1.00 0.00 C ATOM 0 H ILE A 54 -4.331 -10.447 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.511 -12.425 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.358 -11.631 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.628 -12.046 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.994 -12.130 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.827 -13.709 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.515 -14.006 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.257 -14.366 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.532 -9.831 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.256 -9.872 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.915 -9.786 -0.939 1.00 0.00 H new ATOM 829 N LYS A 55 -4.795 -13.163 -4.925 1.00 0.00 N ATOM 830 CA LYS A 55 -5.109 -14.087 -6.001 1.00 0.00 C ATOM 831 C LYS A 55 -5.366 -13.297 -7.286 1.00 0.00 C ATOM 832 O LYS A 55 -6.211 -13.679 -8.095 1.00 0.00 O ATOM 833 CB LYS A 55 -6.267 -15.003 -5.600 1.00 0.00 C ATOM 834 CG LYS A 55 -5.791 -16.105 -4.651 1.00 0.00 C ATOM 835 CD LYS A 55 -5.248 -17.304 -5.432 1.00 0.00 C ATOM 836 CE LYS A 55 -4.865 -18.445 -4.487 1.00 0.00 C ATOM 837 NZ LYS A 55 -4.204 -19.538 -5.235 1.00 0.00 N ATOM 0 H LYS A 55 -5.522 -12.476 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.264 -14.747 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.049 -14.416 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.707 -15.451 -6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.015 -15.713 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.617 -16.424 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.999 -17.651 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.377 -17.000 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.198 -18.073 -3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.756 -18.825 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.951 -20.304 -4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.853 -19.904 -5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.343 -19.175 -5.692 1.00 0.00 H new ATOM 851 N GLY A 56 -4.620 -12.212 -7.435 1.00 0.00 N ATOM 852 CA GLY A 56 -4.757 -11.366 -8.608 1.00 0.00 C ATOM 853 C GLY A 56 -5.906 -10.370 -8.436 1.00 0.00 C ATOM 854 O GLY A 56 -6.318 -9.720 -9.395 1.00 0.00 O ATOM 0 H GLY A 56 -3.919 -11.900 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.826 -10.826 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.936 -11.984 -9.488 1.00 0.00 H new ATOM 858 N ARG A 57 -6.391 -10.283 -7.206 1.00 0.00 N ATOM 859 CA ARG A 57 -7.484 -9.378 -6.895 1.00 0.00 C ATOM 860 C ARG A 57 -7.065 -8.395 -5.800 1.00 0.00 C ATOM 861 O ARG A 57 -6.404 -8.779 -4.837 1.00 0.00 O ATOM 862 CB ARG A 57 -8.723 -10.148 -6.433 1.00 0.00 C ATOM 863 CG ARG A 57 -9.545 -10.633 -7.628 1.00 0.00 C ATOM 864 CD ARG A 57 -10.084 -12.044 -7.387 1.00 0.00 C ATOM 865 NE ARG A 57 -11.396 -11.976 -6.705 1.00 0.00 N ATOM 866 CZ ARG A 57 -12.261 -12.996 -6.636 1.00 0.00 C ATOM 867 NH1 ARG A 57 -11.960 -14.170 -7.209 1.00 0.00 N ATOM 868 NH2 ARG A 57 -13.428 -12.843 -5.996 1.00 0.00 N ATOM 0 H ARG A 57 -6.047 -10.825 -6.413 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.729 -8.830 -7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.420 -11.001 -5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.338 -9.508 -5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.375 -9.948 -7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.927 -10.624 -8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.185 -12.570 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.379 -12.613 -6.781 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.658 -11.097 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.072 -14.286 -7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.619 -14.947 -7.156 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.658 -11.949 -5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.087 -13.620 -5.944 1.00 0.00 H new ATOM 882 N LYS A 58 -7.467 -7.146 -5.985 1.00 0.00 N ATOM 883 CA LYS A 58 -7.142 -6.105 -5.025 1.00 0.00 C ATOM 884 C LYS A 58 -7.775 -6.446 -3.675 1.00 0.00 C ATOM 885 O LYS A 58 -8.960 -6.196 -3.460 1.00 0.00 O ATOM 886 CB LYS A 58 -7.547 -4.732 -5.565 1.00 0.00 C ATOM 887 CG LYS A 58 -6.409 -4.103 -6.372 1.00 0.00 C ATOM 888 CD LYS A 58 -6.852 -3.811 -7.807 1.00 0.00 C ATOM 889 CE LYS A 58 -5.648 -3.751 -8.750 1.00 0.00 C ATOM 890 NZ LYS A 58 -6.035 -4.184 -10.112 1.00 0.00 N ATOM 0 H LYS A 58 -8.015 -6.832 -6.786 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.064 -6.055 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.432 -4.831 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.816 -4.076 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.085 -3.179 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.551 -4.775 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.543 -4.584 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.392 -2.865 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.254 -2.735 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.850 -4.390 -8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.207 -4.137 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.389 -5.161 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.781 -3.558 -10.476 1.00 0.00 H new ATOM 904 N THR A 59 -6.957 -7.012 -2.800 1.00 0.00 N ATOM 905 CA THR A 59 -7.423 -7.391 -1.476 1.00 0.00 C ATOM 906 C THR A 59 -7.138 -6.273 -0.471 1.00 0.00 C ATOM 907 O THR A 59 -5.998 -6.090 -0.047 1.00 0.00 O ATOM 908 CB THR A 59 -6.766 -8.722 -1.107 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.583 -9.701 -1.744 1.00 0.00 O ATOM 910 CG2 THR A 59 -6.894 -9.044 0.384 1.00 0.00 C ATOM 0 H THR A 59 -5.975 -7.217 -2.981 1.00 0.00 H new ATOM 0 HA THR A 59 -8.504 -7.531 -1.461 1.00 0.00 H new ATOM 0 HB THR A 59 -5.712 -8.696 -1.384 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.227 -10.595 -1.558 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.411 -9.999 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.414 -8.259 0.968 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.948 -9.104 0.654 1.00 0.00 H new ATOM 918 N VAL A 60 -8.194 -5.554 -0.119 1.00 0.00 N ATOM 919 CA VAL A 60 -8.071 -4.459 0.829 1.00 0.00 C ATOM 920 C VAL A 60 -7.410 -4.971 2.110 1.00 0.00 C ATOM 921 O VAL A 60 -7.672 -6.092 2.543 1.00 0.00 O ATOM 922 CB VAL A 60 -9.442 -3.825 1.075 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.357 -2.736 2.147 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.031 -3.271 -0.224 1.00 0.00 C ATOM 0 H VAL A 60 -9.138 -5.708 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.432 -3.674 0.426 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.111 -4.604 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.344 -2.301 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.001 -3.171 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.666 -1.959 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.005 -2.826 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.363 -2.512 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.145 -4.080 -0.946 1.00 0.00 H new ATOM 934 N THR A 61 -6.566 -4.125 2.681 1.00 0.00 N ATOM 935 CA THR A 61 -5.866 -4.477 3.905 1.00 0.00 C ATOM 936 C THR A 61 -6.252 -3.521 5.035 1.00 0.00 C ATOM 937 O THR A 61 -6.764 -2.432 4.783 1.00 0.00 O ATOM 938 CB THR A 61 -4.366 -4.489 3.604 1.00 0.00 C ATOM 939 OG1 THR A 61 -3.831 -5.420 4.540 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.686 -3.166 3.964 1.00 0.00 C ATOM 0 H THR A 61 -6.351 -3.196 2.319 1.00 0.00 H new ATOM 0 HA THR A 61 -6.151 -5.470 4.252 1.00 0.00 H new ATOM 0 HB THR A 61 -4.210 -4.701 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.911 -5.168 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.623 -3.228 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.137 -2.357 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.813 -2.970 5.029 1.00 0.00 H new ATOM 948 N ALA A 62 -5.990 -3.963 6.256 1.00 0.00 N ATOM 949 CA ALA A 62 -6.304 -3.160 7.426 1.00 0.00 C ATOM 950 C ALA A 62 -5.128 -2.229 7.730 1.00 0.00 C ATOM 951 O ALA A 62 -4.017 -2.450 7.252 1.00 0.00 O ATOM 952 CB ALA A 62 -6.638 -4.079 8.602 1.00 0.00 C ATOM 0 H ALA A 62 -5.564 -4.867 6.461 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.179 -2.537 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.873 -3.476 9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.497 -4.699 8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.782 -4.717 8.820 1.00 0.00 H new ATOM 958 N TRP A 63 -5.414 -1.207 8.523 1.00 0.00 N ATOM 959 CA TRP A 63 -4.394 -0.241 8.896 1.00 0.00 C ATOM 960 C TRP A 63 -3.750 -0.715 10.201 1.00 0.00 C ATOM 961 O TRP A 63 -2.599 -0.386 10.483 1.00 0.00 O ATOM 962 CB TRP A 63 -4.984 1.167 8.998 1.00 0.00 C ATOM 963 CG TRP A 63 -5.450 1.744 7.660 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.704 2.006 7.267 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.612 2.123 6.548 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.735 2.524 5.988 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.423 2.597 5.537 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.215 2.067 6.401 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.929 3.052 4.308 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.737 2.524 5.167 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.540 3.005 4.139 1.00 0.00 C ATOM 0 H TRP A 63 -6.337 -1.027 8.918 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.622 -0.178 8.129 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.828 1.147 9.687 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.236 1.833 9.429 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.580 1.834 7.875 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.568 2.802 5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.562 1.700 7.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.584 3.419 3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.670 2.501 5.002 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.094 3.341 3.214 1.00 0.00 H new ATOM 982 N ASP A 64 -4.520 -1.480 10.960 1.00 0.00 N ATOM 983 CA ASP A 64 -4.038 -2.002 12.228 1.00 0.00 C ATOM 984 C ASP A 64 -3.166 -3.232 11.969 1.00 0.00 C ATOM 985 O ASP A 64 -2.256 -3.526 12.743 1.00 0.00 O ATOM 986 CB ASP A 64 -5.201 -2.428 13.126 1.00 0.00 C ATOM 987 CG ASP A 64 -6.090 -1.284 13.619 1.00 0.00 C ATOM 988 OD1 ASP A 64 -6.972 -0.872 12.835 1.00 0.00 O ATOM 989 OD2 ASP A 64 -5.866 -0.847 14.769 1.00 0.00 O ATOM 0 H ASP A 64 -5.474 -1.751 10.722 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.470 -1.214 12.723 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.820 -3.140 12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.798 -2.954 13.992 1.00 0.00 H new ATOM 994 N THR A 65 -3.475 -3.919 10.879 1.00 0.00 N ATOM 995 CA THR A 65 -2.731 -5.111 10.509 1.00 0.00 C ATOM 996 C THR A 65 -1.227 -4.860 10.633 1.00 0.00 C ATOM 997 O THR A 65 -0.798 -3.728 10.849 1.00 0.00 O ATOM 998 CB THR A 65 -3.164 -5.520 9.100 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.484 -6.027 9.276 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.373 -6.717 8.568 1.00 0.00 C ATOM 0 H THR A 65 -4.231 -3.673 10.240 1.00 0.00 H new ATOM 0 HA THR A 65 -2.948 -5.938 11.185 1.00 0.00 H new ATOM 0 HB THR A 65 -3.041 -4.674 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.836 -6.329 8.413 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.720 -6.966 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.313 -6.466 8.533 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.522 -7.573 9.226 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.467 -5.936 10.493 1.00 0.00 N ATOM 1009 CA ALA A 66 0.981 -5.847 10.587 1.00 0.00 C ATOM 1010 C ALA A 66 1.579 -5.835 9.179 1.00 0.00 C ATOM 1011 O ALA A 66 0.902 -6.174 8.210 1.00 0.00 O ATOM 1012 CB ALA A 66 1.509 -7.006 11.435 1.00 0.00 C ATOM 0 H ALA A 66 -0.826 -6.874 10.315 1.00 0.00 H new ATOM 0 HA ALA A 66 1.278 -4.921 11.079 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.595 -6.940 11.506 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.076 -6.953 12.434 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.233 -7.952 10.970 1.00 0.00 H new ATOM 1018 N ILE A 67 2.842 -5.440 9.111 1.00 0.00 N ATOM 1019 CA ILE A 67 3.539 -5.379 7.837 1.00 0.00 C ATOM 1020 C ILE A 67 4.536 -6.536 7.751 1.00 0.00 C ATOM 1021 O ILE A 67 5.377 -6.570 6.853 1.00 0.00 O ATOM 1022 CB ILE A 67 4.177 -4.002 7.641 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.626 -3.807 6.192 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.323 -3.783 8.631 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.582 -3.021 5.396 1.00 0.00 C ATOM 0 H ILE A 67 3.401 -5.159 9.917 1.00 0.00 H new ATOM 0 HA ILE A 67 2.837 -5.500 7.012 1.00 0.00 H new ATOM 0 HB ILE A 67 3.423 -3.243 7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.579 -3.278 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.790 -4.778 5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.759 -2.797 8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.941 -3.849 9.650 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.086 -4.546 8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.926 -2.896 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.637 -3.565 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.438 -2.041 5.852 1.00 0.00 H new ATOM 1037 N ALA A 68 4.410 -7.456 8.696 1.00 0.00 N ATOM 1038 CA ALA A 68 5.289 -8.612 8.737 1.00 0.00 C ATOM 1039 C ALA A 68 4.841 -9.627 7.683 1.00 0.00 C ATOM 1040 O ALA A 68 5.631 -10.033 6.832 1.00 0.00 O ATOM 1041 CB ALA A 68 5.292 -9.202 10.149 1.00 0.00 C ATOM 0 H ALA A 68 3.712 -7.424 9.439 1.00 0.00 H new ATOM 0 HA ALA A 68 6.313 -8.323 8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.952 -10.069 10.180 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.646 -8.452 10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.280 -9.506 10.419 1.00 0.00 H new ATOM 1047 N PRO A 69 3.542 -10.017 7.776 1.00 0.00 N ATOM 1048 CA PRO A 69 2.980 -10.976 6.840 1.00 0.00 C ATOM 1049 C PRO A 69 2.724 -10.328 5.478 1.00 0.00 C ATOM 1050 O PRO A 69 1.594 -10.322 4.992 1.00 0.00 O ATOM 1051 CB PRO A 69 1.709 -11.478 7.507 1.00 0.00 C ATOM 1052 CG PRO A 69 1.362 -10.448 8.571 1.00 0.00 C ATOM 1053 CD PRO A 69 2.577 -9.557 8.770 1.00 0.00 C ATOM 0 HA PRO A 69 3.657 -11.804 6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.901 -11.578 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.863 -12.462 7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.501 -9.856 8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.092 -10.940 9.505 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.326 -8.507 8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.975 -9.650 9.781 1.00 0.00 H new ATOM 1061 N LEU A 70 3.792 -9.798 4.901 1.00 0.00 N ATOM 1062 CA LEU A 70 3.697 -9.148 3.604 1.00 0.00 C ATOM 1063 C LEU A 70 4.953 -9.463 2.788 1.00 0.00 C ATOM 1064 O LEU A 70 5.287 -8.737 1.853 1.00 0.00 O ATOM 1065 CB LEU A 70 3.432 -7.651 3.773 1.00 0.00 C ATOM 1066 CG LEU A 70 1.995 -7.259 4.120 1.00 0.00 C ATOM 1067 CD1 LEU A 70 0.999 -7.933 3.174 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.684 -7.559 5.588 1.00 0.00 C ATOM 0 H LEU A 70 4.728 -9.805 5.307 1.00 0.00 H new ATOM 0 HA LEU A 70 2.847 -9.537 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.090 -7.272 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.712 -7.146 2.848 1.00 0.00 H new ATOM 0 HG LEU A 70 1.892 -6.183 3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.015 -7.637 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.207 -7.627 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.095 -9.016 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.656 -7.271 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.810 -8.625 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.364 -6.995 6.227 1.00 0.00 H new ATOM 1080 N ASP A 71 5.614 -10.545 3.172 1.00 0.00 N ATOM 1081 CA ASP A 71 6.825 -10.964 2.488 1.00 0.00 C ATOM 1082 C ASP A 71 6.488 -11.330 1.041 1.00 0.00 C ATOM 1083 O ASP A 71 5.772 -12.300 0.793 1.00 0.00 O ATOM 1084 CB ASP A 71 7.437 -12.197 3.157 1.00 0.00 C ATOM 1085 CG ASP A 71 8.395 -13.001 2.277 1.00 0.00 C ATOM 1086 OD1 ASP A 71 9.238 -12.356 1.618 1.00 0.00 O ATOM 1087 OD2 ASP A 71 8.263 -14.244 2.282 1.00 0.00 O ATOM 0 H ASP A 71 5.334 -11.144 3.948 1.00 0.00 H new ATOM 0 HA ASP A 71 7.537 -10.140 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.971 -11.879 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.630 -12.853 3.483 1.00 0.00 H new ATOM 1092 N GLY A 72 7.019 -10.535 0.124 1.00 0.00 N ATOM 1093 CA GLY A 72 6.783 -10.763 -1.291 1.00 0.00 C ATOM 1094 C GLY A 72 5.318 -10.505 -1.652 1.00 0.00 C ATOM 1095 O GLY A 72 4.478 -11.395 -1.525 1.00 0.00 O ATOM 0 H GLY A 72 7.612 -9.732 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.427 -10.110 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.049 -11.789 -1.547 1.00 0.00 H new ATOM 1099 N GLU A 73 5.057 -9.284 -2.093 1.00 0.00 N ATOM 1100 CA GLU A 73 3.708 -8.898 -2.473 1.00 0.00 C ATOM 1101 C GLU A 73 3.703 -7.479 -3.045 1.00 0.00 C ATOM 1102 O GLU A 73 4.753 -6.945 -3.400 1.00 0.00 O ATOM 1103 CB GLU A 73 2.750 -9.013 -1.285 1.00 0.00 C ATOM 1104 CG GLU A 73 3.074 -7.969 -0.216 1.00 0.00 C ATOM 1105 CD GLU A 73 2.264 -6.689 -0.436 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.062 -6.826 -0.752 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.865 -5.604 -0.283 1.00 0.00 O ATOM 0 H GLU A 73 5.756 -8.549 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 73 3.360 -9.582 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.723 -8.882 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.817 -10.012 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.857 -8.375 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.139 -7.738 -0.239 1.00 0.00 H new ATOM 1114 N GLU A 74 2.510 -6.908 -3.116 1.00 0.00 N ATOM 1115 CA GLU A 74 2.355 -5.561 -3.639 1.00 0.00 C ATOM 1116 C GLU A 74 1.141 -4.881 -3.002 1.00 0.00 C ATOM 1117 O GLU A 74 0.072 -5.481 -2.901 1.00 0.00 O ATOM 1118 CB GLU A 74 2.238 -5.576 -5.165 1.00 0.00 C ATOM 1119 CG GLU A 74 3.594 -5.310 -5.821 1.00 0.00 C ATOM 1120 CD GLU A 74 4.255 -4.064 -5.229 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.826 -2.955 -5.615 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.175 -4.248 -4.403 1.00 0.00 O ATOM 0 H GLU A 74 1.641 -7.353 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 74 3.245 -4.987 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.854 -6.541 -5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.520 -4.821 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.245 -6.173 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.463 -5.181 -6.895 1.00 0.00 H new ATOM 1129 N LEU A 75 1.347 -3.639 -2.591 1.00 0.00 N ATOM 1130 CA LEU A 75 0.283 -2.871 -1.967 1.00 0.00 C ATOM 1131 C LEU A 75 -0.060 -1.671 -2.851 1.00 0.00 C ATOM 1132 O LEU A 75 0.830 -0.941 -3.286 1.00 0.00 O ATOM 1133 CB LEU A 75 0.666 -2.490 -0.535 1.00 0.00 C ATOM 1134 CG LEU A 75 0.803 -3.650 0.453 1.00 0.00 C ATOM 1135 CD1 LEU A 75 2.095 -3.529 1.264 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.430 -3.754 1.353 1.00 0.00 C ATOM 0 H LEU A 75 2.235 -3.145 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.621 -3.473 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.612 -1.950 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.084 -1.798 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 75 0.865 -4.577 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.168 -4.366 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.951 -3.542 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.088 -2.593 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.306 -4.587 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.548 -2.828 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.315 -3.921 0.739 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.352 -1.503 -3.091 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.824 -0.404 -3.916 1.00 0.00 C ATOM 1150 C ILE A 76 -2.641 0.560 -3.055 1.00 0.00 C ATOM 1151 O ILE A 76 -3.728 0.216 -2.592 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.583 -0.935 -5.134 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.631 -1.614 -6.120 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.400 0.175 -5.798 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.405 -2.441 -7.149 1.00 0.00 C ATOM 0 H ILE A 76 -2.087 -2.110 -2.728 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.982 0.161 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.288 -1.693 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.032 -0.860 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.938 -2.258 -5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.929 -0.229 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.121 0.573 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.733 0.973 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.704 -2.913 -7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.984 -3.210 -6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.079 -1.790 -7.706 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.087 1.749 -2.864 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.751 2.765 -2.066 1.00 0.00 C ATOM 1169 C VAL A 77 -3.647 3.613 -2.972 1.00 0.00 C ATOM 1170 O VAL A 77 -3.213 4.070 -4.028 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.714 3.593 -1.305 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.384 4.722 -0.519 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.873 2.707 -0.385 1.00 0.00 C ATOM 0 H VAL A 77 -1.185 2.031 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.392 2.303 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.044 4.046 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.625 5.295 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.918 5.377 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.087 4.299 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.144 3.321 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.523 2.212 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.352 1.956 -0.979 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.880 3.798 -2.524 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.841 4.584 -3.281 1.00 0.00 C ATOM 1185 C GLU A 78 -6.722 5.401 -2.333 1.00 0.00 C ATOM 1186 O GLU A 78 -6.663 5.224 -1.118 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.691 3.688 -4.184 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.234 3.788 -5.641 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.330 4.396 -6.519 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -7.692 5.562 -6.249 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -7.782 3.682 -7.440 1.00 0.00 O ATOM 0 H GLU A 78 -5.236 3.418 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.293 5.275 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.620 2.654 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.739 3.977 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.333 4.399 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.973 2.797 -6.013 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.517 6.279 -2.926 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.409 7.124 -2.151 1.00 0.00 C ATOM 1200 C VAL A 79 -9.805 6.499 -2.127 1.00 0.00 C ATOM 1201 O VAL A 79 -10.331 6.107 -3.167 1.00 0.00 O ATOM 1202 CB VAL A 79 -8.400 8.548 -2.712 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -9.418 9.430 -1.985 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.998 9.156 -2.643 1.00 0.00 C ATOM 0 H VAL A 79 -7.562 6.424 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.067 7.194 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.691 8.497 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.391 10.436 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.417 9.012 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.172 9.471 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.020 10.168 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.666 9.187 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.308 8.547 -3.227 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.366 6.426 -0.929 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.690 5.856 -0.756 1.00 0.00 C ATOM 1216 C LEU A 80 -12.718 6.740 -1.465 1.00 0.00 C ATOM 1217 O LEU A 80 -13.216 7.705 -0.887 1.00 0.00 O ATOM 1218 CB LEU A 80 -11.989 5.634 0.728 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.227 4.491 1.402 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -11.262 4.632 2.925 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -11.756 3.132 0.940 1.00 0.00 C ATOM 0 H LEU A 80 -9.927 6.753 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.743 4.870 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.769 6.557 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.057 5.447 0.839 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.182 4.550 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.713 3.807 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.801 5.577 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.296 4.613 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.197 2.337 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -12.812 3.046 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.636 3.043 -0.140 1.00 0.00 H new ATOM 1233 N SER A 81 -13.006 6.380 -2.707 1.00 0.00 N ATOM 1234 CA SER A 81 -13.965 7.128 -3.501 1.00 0.00 C ATOM 1235 C SER A 81 -14.463 6.271 -4.666 1.00 0.00 C ATOM 1236 O SER A 81 -15.665 6.057 -4.815 1.00 0.00 O ATOM 1237 CB SER A 81 -13.352 8.429 -4.023 1.00 0.00 C ATOM 1238 OG SER A 81 -14.228 9.540 -3.848 1.00 0.00 O ATOM 0 H SER A 81 -12.591 5.579 -3.183 1.00 0.00 H new ATOM 0 HA SER A 81 -14.810 7.386 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.414 8.622 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.113 8.319 -5.081 1.00 0.00 H new ATOM 0 HG SER A 81 -13.800 10.352 -4.192 1.00 0.00 H new ATOM 1244 N GLY A 82 -13.513 5.803 -5.462 1.00 0.00 N ATOM 1245 CA GLY A 82 -13.840 4.974 -6.610 1.00 0.00 C ATOM 1246 C GLY A 82 -14.378 5.822 -7.764 1.00 0.00 C ATOM 1247 O GLY A 82 -15.562 6.156 -7.793 1.00 0.00 O ATOM 0 H GLY A 82 -12.517 5.982 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.952 4.432 -6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.582 4.229 -6.325 1.00 0.00 H new ATOM 1251 N PRO A 83 -13.460 6.154 -8.710 1.00 0.00 N ATOM 1252 CA PRO A 83 -13.831 6.957 -9.863 1.00 0.00 C ATOM 1253 C PRO A 83 -14.626 6.129 -10.875 1.00 0.00 C ATOM 1254 O PRO A 83 -15.650 6.581 -11.385 1.00 0.00 O ATOM 1255 CB PRO A 83 -12.516 7.474 -10.422 1.00 0.00 C ATOM 1256 CG PRO A 83 -11.435 6.572 -9.848 1.00 0.00 C ATOM 1257 CD PRO A 83 -12.050 5.775 -8.708 1.00 0.00 C ATOM 0 HA PRO A 83 -14.491 7.785 -9.604 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -12.515 7.440 -11.511 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.351 8.513 -10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.048 5.903 -10.617 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.594 7.165 -9.489 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.928 4.703 -8.863 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.577 6.015 -7.756 1.00 0.00 H new ATOM 1265 N SER A 84 -14.124 4.930 -11.135 1.00 0.00 N ATOM 1266 CA SER A 84 -14.775 4.035 -12.077 1.00 0.00 C ATOM 1267 C SER A 84 -15.724 3.093 -11.333 1.00 0.00 C ATOM 1268 O SER A 84 -15.337 2.469 -10.347 1.00 0.00 O ATOM 1269 CB SER A 84 -13.746 3.231 -12.874 1.00 0.00 C ATOM 1270 OG SER A 84 -13.992 3.289 -14.276 1.00 0.00 O ATOM 0 H SER A 84 -13.275 4.558 -10.710 1.00 0.00 H new ATOM 0 HA SER A 84 -15.349 4.638 -12.781 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.747 3.613 -12.665 1.00 0.00 H new ATOM 0 HB3 SER A 84 -13.765 2.192 -12.545 1.00 0.00 H new ATOM 0 HG SER A 84 -13.313 2.765 -14.749 1.00 0.00 H new ATOM 1276 N SER A 85 -16.948 3.020 -11.835 1.00 0.00 N ATOM 1277 CA SER A 85 -17.955 2.165 -11.231 1.00 0.00 C ATOM 1278 C SER A 85 -18.201 2.590 -9.782 1.00 0.00 C ATOM 1279 O SER A 85 -17.447 3.389 -9.229 1.00 0.00 O ATOM 1280 CB SER A 85 -17.536 0.695 -11.290 1.00 0.00 C ATOM 1281 OG SER A 85 -18.085 0.028 -12.423 1.00 0.00 O ATOM 0 H SER A 85 -17.265 3.539 -12.654 1.00 0.00 H new ATOM 0 HA SER A 85 -18.881 2.274 -11.796 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.448 0.629 -11.322 1.00 0.00 H new ATOM 0 HB3 SER A 85 -17.859 0.189 -10.380 1.00 0.00 H new ATOM 0 HG SER A 85 -17.793 -0.907 -12.425 1.00 0.00 H new ATOM 1287 N GLY A 86 -19.258 2.035 -9.207 1.00 0.00 N ATOM 1288 CA GLY A 86 -19.612 2.346 -7.833 1.00 0.00 C ATOM 1289 C GLY A 86 -20.948 3.089 -7.766 1.00 0.00 C ATOM 1290 O GLY A 86 -20.978 4.302 -7.563 1.00 0.00 O ATOM 0 H GLY A 86 -19.881 1.372 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -19.674 1.426 -7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.830 2.956 -7.381 1.00 0.00 H new TER 1294 GLY A 86