USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 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 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 ASN : amide:sc= -4.76 K(o=-5.8,f=-9.7!) USER MOD Set 1.3: A 52 THR OG1 : rot -9:sc= -1 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -2.26 K(o=-2.3,f=-0.59) USER MOD Single : A 55 THR OG1 : rot 165:sc= 0.611 USER MOD Single : A 56 ASN : amide:sc= 0.45 K(o=0.45,f=-5.9!) USER MOD Single : A 58 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-7.2!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 41:sc= 0.189 USER MOD Single : A 72 THR OG1 : rot 34:sc= 0.404 USER MOD Single : A 75 SER OG : rot 151:sc= -0.25 USER MOD Single : A 78 MET CE :methyl -110:sc= -2.79 (180deg=-7.34!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 44:sc= 0.219 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0483 K(o=-0.048,f=-1.7!) USER MOD Single : A 98 THR OG1 : rot -100:sc= -0.863 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.882 USER MOD Single : A 105 ASN : amide:sc= -0.152 K(o=-0.15,f=-5!) USER MOD Single : A 108 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.5) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.77) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 100.216 22.638 4.433 1.00 0.00 N ATOM 2 CA GLY A 28 100.432 23.988 3.840 1.00 0.00 C ATOM 3 C GLY A 28 99.457 24.196 2.668 1.00 0.00 C ATOM 4 O GLY A 28 98.522 24.963 2.796 1.00 0.00 O ATOM 0 HA2 GLY A 28 100.278 24.758 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 28 101.461 24.084 3.493 1.00 0.00 H new ATOM 10 N PRO A 29 99.691 23.512 1.553 1.00 0.00 N ATOM 11 CA PRO A 29 98.796 23.650 0.356 1.00 0.00 C ATOM 12 C PRO A 29 97.343 23.286 0.698 1.00 0.00 C ATOM 13 O PRO A 29 97.068 22.194 1.165 1.00 0.00 O ATOM 14 CB PRO A 29 99.384 22.642 -0.635 1.00 0.00 C ATOM 15 CG PRO A 29 100.812 22.538 -0.228 1.00 0.00 C ATOM 16 CD PRO A 29 100.790 22.562 1.270 1.00 0.00 C ATOM 0 HA PRO A 29 98.760 24.669 -0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 29 98.879 21.678 -0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 29 99.285 22.988 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 29 101.263 21.619 -0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 29 101.398 23.366 -0.628 1.00 0.00 H new ATOM 0 HD2 PRO A 29 100.593 21.576 1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 29 101.739 22.902 1.685 1.00 0.00 H new ATOM 24 N GLU A 30 96.424 24.196 0.467 1.00 0.00 N ATOM 25 CA GLU A 30 94.974 23.929 0.751 1.00 0.00 C ATOM 26 C GLU A 30 94.281 23.326 -0.481 1.00 0.00 C ATOM 27 O GLU A 30 93.203 23.752 -0.872 1.00 0.00 O ATOM 28 CB GLU A 30 94.375 25.299 1.096 1.00 0.00 C ATOM 29 CG GLU A 30 94.981 25.816 2.404 1.00 0.00 C ATOM 30 CD GLU A 30 94.316 27.139 2.788 1.00 0.00 C ATOM 31 OE1 GLU A 30 94.638 28.142 2.170 1.00 0.00 O ATOM 32 OE2 GLU A 30 93.499 27.128 3.693 1.00 0.00 O ATOM 0 H GLU A 30 96.619 25.123 0.089 1.00 0.00 H new ATOM 0 HA GLU A 30 94.842 23.212 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 30 94.571 26.005 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 30 93.292 25.219 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 30 94.840 25.082 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 96.056 25.957 2.288 1.00 0.00 H new ATOM 39 N ASP A 31 94.892 22.334 -1.088 1.00 0.00 N ATOM 40 CA ASP A 31 94.324 21.734 -2.340 1.00 0.00 C ATOM 41 C ASP A 31 93.150 20.809 -1.990 1.00 0.00 C ATOM 42 O ASP A 31 93.310 19.606 -1.868 1.00 0.00 O ATOM 43 CB ASP A 31 95.473 20.950 -2.989 1.00 0.00 C ATOM 44 CG ASP A 31 96.567 21.920 -3.440 1.00 0.00 C ATOM 45 OD1 ASP A 31 96.228 22.939 -4.020 1.00 0.00 O ATOM 46 OD2 ASP A 31 97.727 21.627 -3.198 1.00 0.00 O ATOM 0 H ASP A 31 95.764 21.912 -0.768 1.00 0.00 H new ATOM 0 HA ASP A 31 93.938 22.493 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 31 95.881 20.230 -2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 31 95.102 20.382 -3.842 1.00 0.00 H new ATOM 51 N THR A 32 91.975 21.376 -1.828 1.00 0.00 N ATOM 52 CA THR A 32 90.759 20.558 -1.526 1.00 0.00 C ATOM 53 C THR A 32 89.667 20.834 -2.564 1.00 0.00 C ATOM 54 O THR A 32 89.061 21.891 -2.567 1.00 0.00 O ATOM 55 CB THR A 32 90.308 21.019 -0.139 1.00 0.00 C ATOM 56 OG1 THR A 32 91.415 20.995 0.750 1.00 0.00 O ATOM 57 CG2 THR A 32 89.213 20.085 0.382 1.00 0.00 C ATOM 0 H THR A 32 91.808 22.380 -1.893 1.00 0.00 H new ATOM 0 HA THR A 32 90.962 19.487 -1.554 1.00 0.00 H new ATOM 0 HB THR A 32 89.916 22.034 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 32 91.127 21.292 1.639 1.00 0.00 H new ATOM 0 HG21 THR A 32 88.893 20.415 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 32 88.363 20.105 -0.300 1.00 0.00 H new ATOM 0 HG23 THR A 32 89.602 19.069 0.447 1.00 0.00 H new ATOM 65 N LEU A 33 89.421 19.886 -3.442 1.00 0.00 N ATOM 66 CA LEU A 33 88.367 20.055 -4.491 1.00 0.00 C ATOM 67 C LEU A 33 87.647 18.713 -4.710 1.00 0.00 C ATOM 68 O LEU A 33 88.262 17.678 -4.550 1.00 0.00 O ATOM 69 CB LEU A 33 89.108 20.476 -5.766 1.00 0.00 C ATOM 70 CG LEU A 33 89.598 21.924 -5.647 1.00 0.00 C ATOM 71 CD1 LEU A 33 90.513 22.246 -6.829 1.00 0.00 C ATOM 72 CD2 LEU A 33 88.400 22.879 -5.661 1.00 0.00 C ATOM 0 H LEU A 33 89.913 18.993 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 33 87.618 20.795 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 33 89.955 19.812 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 33 88.447 20.379 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 33 90.145 22.044 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 33 90.864 23.275 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 33 91.368 21.570 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 33 89.961 22.123 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 33 88.753 23.907 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 33 87.851 22.760 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 33 87.743 22.651 -4.822 1.00 0.00 H new ATOM 84 N PRO A 34 86.368 18.753 -5.067 1.00 0.00 N ATOM 85 CA PRO A 34 85.620 17.492 -5.397 1.00 0.00 C ATOM 86 C PRO A 34 86.252 16.769 -6.599 1.00 0.00 C ATOM 87 O PRO A 34 86.700 17.403 -7.537 1.00 0.00 O ATOM 88 CB PRO A 34 84.220 18.006 -5.752 1.00 0.00 C ATOM 89 CG PRO A 34 84.125 19.307 -5.038 1.00 0.00 C ATOM 90 CD PRO A 34 85.478 19.929 -5.186 1.00 0.00 C ATOM 0 HA PRO A 34 85.625 16.768 -4.582 1.00 0.00 H new ATOM 0 HB2 PRO A 34 84.101 18.131 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.445 17.313 -5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.350 19.939 -5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 34 83.869 19.163 -3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 34 85.593 20.433 -6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 34 85.674 20.670 -4.411 1.00 0.00 H new ATOM 98 N PHE A 35 86.287 15.452 -6.567 1.00 0.00 N ATOM 99 CA PHE A 35 86.737 14.667 -7.762 1.00 0.00 C ATOM 100 C PHE A 35 86.208 13.222 -7.701 1.00 0.00 C ATOM 101 O PHE A 35 86.951 12.271 -7.879 1.00 0.00 O ATOM 102 CB PHE A 35 88.277 14.721 -7.725 1.00 0.00 C ATOM 103 CG PHE A 35 88.924 13.959 -6.584 1.00 0.00 C ATOM 104 CD1 PHE A 35 88.953 14.517 -5.270 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.512 12.677 -6.826 1.00 0.00 C ATOM 106 CE1 PHE A 35 89.569 13.798 -4.198 1.00 0.00 C ATOM 107 CE2 PHE A 35 90.125 11.957 -5.755 1.00 0.00 C ATOM 108 CZ PHE A 35 90.154 12.517 -4.441 1.00 0.00 C ATOM 0 H PHE A 35 86.021 14.888 -5.760 1.00 0.00 H new ATOM 0 HA PHE A 35 86.352 15.078 -8.695 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.661 14.328 -8.667 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.586 15.764 -7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.509 15.484 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.492 12.253 -7.819 1.00 0.00 H new ATOM 0 HE1 PHE A 35 89.592 14.223 -3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.567 10.989 -5.939 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.618 11.973 -3.632 1.00 0.00 H new ATOM 118 N LEU A 36 84.925 13.061 -7.460 1.00 0.00 N ATOM 119 CA LEU A 36 84.337 11.697 -7.283 1.00 0.00 C ATOM 120 C LEU A 36 82.820 11.745 -7.473 1.00 0.00 C ATOM 121 O LEU A 36 82.115 12.357 -6.692 1.00 0.00 O ATOM 122 CB LEU A 36 84.683 11.302 -5.847 1.00 0.00 C ATOM 123 CG LEU A 36 84.352 9.825 -5.626 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.374 8.954 -6.362 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.403 9.512 -4.129 1.00 0.00 C ATOM 0 H LEU A 36 84.256 13.827 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 36 84.725 10.983 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.741 11.480 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.123 11.919 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 36 83.354 9.616 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.137 7.902 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.341 9.177 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.373 9.162 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.167 8.460 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.402 9.722 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.676 10.131 -3.603 1.00 0.00 H new ATOM 137 N LYS A 37 82.325 11.105 -8.509 1.00 0.00 N ATOM 138 CA LYS A 37 80.849 11.047 -8.745 1.00 0.00 C ATOM 139 C LYS A 37 80.289 9.706 -8.259 1.00 0.00 C ATOM 140 O LYS A 37 80.815 8.657 -8.593 1.00 0.00 O ATOM 141 CB LYS A 37 80.690 11.175 -10.261 1.00 0.00 C ATOM 142 CG LYS A 37 79.224 11.452 -10.601 1.00 0.00 C ATOM 143 CD LYS A 37 79.070 11.590 -12.116 1.00 0.00 C ATOM 144 CE LYS A 37 77.655 12.072 -12.444 1.00 0.00 C ATOM 145 NZ LYS A 37 77.782 12.773 -13.752 1.00 0.00 N ATOM 0 H LYS A 37 82.888 10.617 -9.206 1.00 0.00 H new ATOM 0 HA LYS A 37 80.311 11.829 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.320 11.982 -10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.021 10.259 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.595 10.642 -10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 37 78.891 12.364 -10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 37 79.805 12.295 -12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 37 79.261 10.632 -12.600 1.00 0.00 H new ATOM 0 HE2 LYS A 37 76.958 11.236 -12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 37 77.277 12.742 -11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 76.851 13.133 -14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 78.446 13.568 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 78.137 12.109 -14.469 1.00 0.00 H new ATOM 159 N CYS A 38 79.232 9.740 -7.478 1.00 0.00 N ATOM 160 CA CYS A 38 78.629 8.474 -6.941 1.00 0.00 C ATOM 161 C CYS A 38 77.231 8.275 -7.535 1.00 0.00 C ATOM 162 O CYS A 38 76.482 9.224 -7.685 1.00 0.00 O ATOM 163 CB CYS A 38 78.517 8.666 -5.422 1.00 0.00 C ATOM 164 SG CYS A 38 80.148 8.929 -4.669 1.00 0.00 S ATOM 0 H CYS A 38 78.758 10.595 -7.188 1.00 0.00 H new ATOM 0 HA CYS A 38 79.235 7.604 -7.194 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.873 9.519 -5.208 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.045 7.790 -4.976 1.00 0.00 H new ATOM 169 N TYR A 39 76.886 7.053 -7.871 1.00 0.00 N ATOM 170 CA TYR A 39 75.504 6.755 -8.374 1.00 0.00 C ATOM 171 C TYR A 39 74.555 6.532 -7.191 1.00 0.00 C ATOM 172 O TYR A 39 74.927 5.920 -6.205 1.00 0.00 O ATOM 173 CB TYR A 39 75.640 5.476 -9.205 1.00 0.00 C ATOM 174 CG TYR A 39 74.357 5.045 -9.875 1.00 0.00 C ATOM 175 CD1 TYR A 39 74.036 5.526 -11.182 1.00 0.00 C ATOM 176 CD2 TYR A 39 73.461 4.160 -9.199 1.00 0.00 C ATOM 177 CE1 TYR A 39 72.820 5.120 -11.814 1.00 0.00 C ATOM 178 CE2 TYR A 39 72.245 3.755 -9.829 1.00 0.00 C ATOM 179 CZ TYR A 39 71.924 4.234 -11.137 1.00 0.00 C ATOM 180 OH TYR A 39 70.749 3.843 -11.747 1.00 0.00 O ATOM 0 H TYR A 39 77.506 6.245 -7.818 1.00 0.00 H new ATOM 0 HA TYR A 39 75.095 7.574 -8.965 1.00 0.00 H new ATOM 0 HB2 TYR A 39 76.404 5.629 -9.968 1.00 0.00 H new ATOM 0 HB3 TYR A 39 75.991 4.670 -8.560 1.00 0.00 H new ATOM 0 HD1 TYR A 39 74.712 6.196 -11.692 1.00 0.00 H new ATOM 0 HD2 TYR A 39 73.704 3.797 -8.211 1.00 0.00 H new ATOM 0 HE1 TYR A 39 72.578 5.482 -12.802 1.00 0.00 H new ATOM 0 HE2 TYR A 39 71.568 3.087 -9.317 1.00 0.00 H new ATOM 0 HH TYR A 39 70.256 3.240 -11.152 1.00 0.00 H new ATOM 190 N CYS A 40 73.338 7.022 -7.290 1.00 0.00 N ATOM 191 CA CYS A 40 72.368 6.910 -6.150 1.00 0.00 C ATOM 192 C CYS A 40 71.189 6.005 -6.529 1.00 0.00 C ATOM 193 O CYS A 40 70.673 6.080 -7.631 1.00 0.00 O ATOM 194 CB CYS A 40 71.904 8.350 -5.841 1.00 0.00 C ATOM 195 SG CYS A 40 71.071 9.117 -7.264 1.00 0.00 S ATOM 0 H CYS A 40 72.974 7.497 -8.116 1.00 0.00 H new ATOM 0 HA CYS A 40 72.828 6.456 -5.272 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.226 8.337 -4.988 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.765 8.955 -5.555 1.00 0.00 H new ATOM 200 N SER A 41 70.769 5.155 -5.619 1.00 0.00 N ATOM 201 CA SER A 41 69.582 4.278 -5.871 1.00 0.00 C ATOM 202 C SER A 41 68.524 4.507 -4.788 1.00 0.00 C ATOM 203 O SER A 41 68.850 4.644 -3.622 1.00 0.00 O ATOM 204 CB SER A 41 70.121 2.851 -5.802 1.00 0.00 C ATOM 205 OG SER A 41 71.142 2.685 -6.777 1.00 0.00 O ATOM 0 H SER A 41 71.203 5.032 -4.704 1.00 0.00 H new ATOM 0 HA SER A 41 69.108 4.486 -6.830 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.516 2.647 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.316 2.137 -5.977 1.00 0.00 H new ATOM 0 HG SER A 41 71.490 1.770 -6.733 1.00 0.00 H new ATOM 211 N GLY A 42 67.268 4.543 -5.171 1.00 0.00 N ATOM 212 CA GLY A 42 66.167 4.756 -4.181 1.00 0.00 C ATOM 213 C GLY A 42 66.166 6.217 -3.719 1.00 0.00 C ATOM 214 O GLY A 42 65.254 6.964 -4.026 1.00 0.00 O ATOM 0 H GLY A 42 66.958 4.433 -6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.206 4.506 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.300 4.094 -3.326 1.00 0.00 H new ATOM 218 N HIS A 43 67.182 6.617 -2.986 1.00 0.00 N ATOM 219 CA HIS A 43 67.229 8.004 -2.429 1.00 0.00 C ATOM 220 C HIS A 43 68.326 8.824 -3.116 1.00 0.00 C ATOM 221 O HIS A 43 69.483 8.443 -3.114 1.00 0.00 O ATOM 222 CB HIS A 43 67.547 7.822 -0.946 1.00 0.00 C ATOM 223 CG HIS A 43 66.472 7.098 -0.183 1.00 0.00 C ATOM 224 ND1 HIS A 43 66.698 6.538 1.064 1.00 0.00 N ATOM 225 CD2 HIS A 43 65.156 6.832 -0.481 1.00 0.00 C ATOM 226 CE1 HIS A 43 65.548 5.970 1.467 1.00 0.00 C ATOM 227 NE2 HIS A 43 64.575 6.120 0.564 1.00 0.00 N ATOM 0 H HIS A 43 67.985 6.035 -2.750 1.00 0.00 H new ATOM 0 HA HIS A 43 66.293 8.540 -2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 43 68.483 7.272 -0.849 1.00 0.00 H new ATOM 0 HB3 HIS A 43 67.705 8.801 -0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 43 64.651 7.130 -1.388 1.00 0.00 H new ATOM 0 HE1 HIS A 43 65.425 5.454 2.408 1.00 0.00 H new ATOM 0 HE2 HIS A 43 63.614 5.785 0.627 1.00 0.00 H new ATOM 235 N CYS A 44 67.959 9.943 -3.701 1.00 0.00 N ATOM 236 CA CYS A 44 68.970 10.873 -4.295 1.00 0.00 C ATOM 237 C CYS A 44 68.588 12.326 -3.950 1.00 0.00 C ATOM 238 O CYS A 44 67.424 12.670 -4.051 1.00 0.00 O ATOM 239 CB CYS A 44 68.880 10.630 -5.810 1.00 0.00 C ATOM 240 SG CYS A 44 70.488 10.932 -6.588 1.00 0.00 S ATOM 0 H CYS A 44 66.991 10.252 -3.792 1.00 0.00 H new ATOM 0 HA CYS A 44 69.980 10.705 -3.920 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.561 9.606 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.127 11.286 -6.247 1.00 0.00 H new ATOM 245 N PRO A 45 69.556 13.148 -3.553 1.00 0.00 N ATOM 246 CA PRO A 45 69.228 14.500 -3.003 1.00 0.00 C ATOM 247 C PRO A 45 68.476 15.354 -4.037 1.00 0.00 C ATOM 248 O PRO A 45 68.637 15.175 -5.231 1.00 0.00 O ATOM 249 CB PRO A 45 70.595 15.114 -2.669 1.00 0.00 C ATOM 250 CG PRO A 45 71.596 14.298 -3.418 1.00 0.00 C ATOM 251 CD PRO A 45 71.014 12.922 -3.573 1.00 0.00 C ATOM 0 HA PRO A 45 68.572 14.445 -2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.639 16.161 -2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 45 70.787 15.082 -1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 45 71.803 14.741 -4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.542 14.258 -2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.333 12.456 -4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.327 12.262 -2.764 1.00 0.00 H new ATOM 259 N ASP A 46 67.664 16.280 -3.575 1.00 0.00 N ATOM 260 CA ASP A 46 66.761 17.055 -4.499 1.00 0.00 C ATOM 261 C ASP A 46 67.567 17.836 -5.546 1.00 0.00 C ATOM 262 O ASP A 46 67.084 18.086 -6.637 1.00 0.00 O ATOM 263 CB ASP A 46 65.981 18.027 -3.605 1.00 0.00 C ATOM 264 CG ASP A 46 65.060 17.240 -2.670 1.00 0.00 C ATOM 265 OD1 ASP A 46 64.410 16.323 -3.144 1.00 0.00 O ATOM 266 OD2 ASP A 46 65.021 17.570 -1.496 1.00 0.00 O ATOM 0 H ASP A 46 67.586 16.535 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 46 66.102 16.383 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.673 18.636 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 46 65.394 18.710 -4.219 1.00 0.00 H new ATOM 271 N ASP A 47 68.783 18.215 -5.220 1.00 0.00 N ATOM 272 CA ASP A 47 69.620 19.017 -6.173 1.00 0.00 C ATOM 273 C ASP A 47 70.504 18.114 -7.058 1.00 0.00 C ATOM 274 O ASP A 47 71.423 18.596 -7.699 1.00 0.00 O ATOM 275 CB ASP A 47 70.476 19.946 -5.293 1.00 0.00 C ATOM 276 CG ASP A 47 71.394 19.143 -4.359 1.00 0.00 C ATOM 277 OD1 ASP A 47 72.240 18.424 -4.865 1.00 0.00 O ATOM 278 OD2 ASP A 47 71.233 19.263 -3.155 1.00 0.00 O ATOM 0 H ASP A 47 69.233 18.002 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 47 68.995 19.582 -6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 47 71.078 20.597 -5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 47 69.826 20.590 -4.701 1.00 0.00 H new ATOM 283 N ALA A 48 70.234 16.823 -7.099 1.00 0.00 N ATOM 284 CA ALA A 48 71.150 15.873 -7.810 1.00 0.00 C ATOM 285 C ALA A 48 70.913 15.937 -9.321 1.00 0.00 C ATOM 286 O ALA A 48 69.890 16.420 -9.773 1.00 0.00 O ATOM 287 CB ALA A 48 70.807 14.480 -7.273 1.00 0.00 C ATOM 0 H ALA A 48 69.417 16.390 -6.669 1.00 0.00 H new ATOM 0 HA ALA A 48 72.198 16.120 -7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.444 13.738 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 48 70.971 14.455 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.762 14.255 -7.486 1.00 0.00 H new ATOM 293 N ILE A 49 71.859 15.453 -10.096 1.00 0.00 N ATOM 294 CA ILE A 49 71.746 15.522 -11.589 1.00 0.00 C ATOM 295 C ILE A 49 71.923 14.113 -12.168 1.00 0.00 C ATOM 296 O ILE A 49 72.751 13.358 -11.704 1.00 0.00 O ATOM 297 CB ILE A 49 72.873 16.467 -12.053 1.00 0.00 C ATOM 298 CG1 ILE A 49 72.694 17.857 -11.423 1.00 0.00 C ATOM 299 CG2 ILE A 49 72.842 16.620 -13.580 1.00 0.00 C ATOM 300 CD1 ILE A 49 73.977 18.671 -11.602 1.00 0.00 C ATOM 0 H ILE A 49 72.711 15.010 -9.753 1.00 0.00 H new ATOM 0 HA ILE A 49 70.777 15.892 -11.923 1.00 0.00 H new ATOM 0 HB ILE A 49 73.825 16.037 -11.741 1.00 0.00 H new ATOM 0 HG12 ILE A 49 71.855 18.374 -11.890 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.458 17.759 -10.363 1.00 0.00 H new ATOM 0 HG21 ILE A 49 73.642 17.290 -13.895 1.00 0.00 H new ATOM 0 HG22 ILE A 49 72.980 15.645 -14.046 1.00 0.00 H new ATOM 0 HG23 ILE A 49 71.881 17.035 -13.885 1.00 0.00 H new ATOM 0 HD11 ILE A 49 73.848 19.657 -11.155 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.805 18.157 -11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.193 18.781 -12.665 1.00 0.00 H new ATOM 312 N ASN A 50 71.136 13.769 -13.175 1.00 0.00 N ATOM 313 CA ASN A 50 71.162 12.401 -13.818 1.00 0.00 C ATOM 314 C ASN A 50 71.362 11.252 -12.803 1.00 0.00 C ATOM 315 O ASN A 50 72.122 10.332 -13.034 1.00 0.00 O ATOM 316 CB ASN A 50 72.286 12.445 -14.872 1.00 0.00 C ATOM 317 CG ASN A 50 73.662 12.634 -14.224 1.00 0.00 C ATOM 318 OD1 ASN A 50 74.069 13.743 -13.941 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.402 11.587 -13.982 1.00 0.00 N ATOM 0 H ASN A 50 70.454 14.403 -13.591 1.00 0.00 H new ATOM 0 HA ASN A 50 70.197 12.183 -14.275 1.00 0.00 H new ATOM 0 HB2 ASN A 50 72.280 11.521 -15.450 1.00 0.00 H new ATOM 0 HB3 ASN A 50 72.098 13.260 -15.571 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.322 11.700 -13.555 1.00 0.00 H new ATOM 0 HD22 ASN A 50 74.061 10.655 -14.219 1.00 0.00 H new ATOM 326 N ASN A 51 70.671 11.319 -11.679 1.00 0.00 N ATOM 327 CA ASN A 51 70.780 10.269 -10.603 1.00 0.00 C ATOM 328 C ASN A 51 72.238 10.077 -10.149 1.00 0.00 C ATOM 329 O ASN A 51 72.693 8.961 -9.952 1.00 0.00 O ATOM 330 CB ASN A 51 70.215 8.976 -11.215 1.00 0.00 C ATOM 331 CG ASN A 51 70.047 7.920 -10.121 1.00 0.00 C ATOM 332 OD1 ASN A 51 70.855 7.022 -9.997 1.00 0.00 O ATOM 333 ND2 ASN A 51 69.025 7.991 -9.314 1.00 0.00 N ATOM 0 H ASN A 51 70.022 12.075 -11.459 1.00 0.00 H new ATOM 0 HA ASN A 51 70.226 10.562 -9.711 1.00 0.00 H new ATOM 0 HB2 ASN A 51 69.255 9.176 -11.691 1.00 0.00 H new ATOM 0 HB3 ASN A 51 70.885 8.606 -11.991 1.00 0.00 H new ATOM 0 HD21 ASN A 51 68.905 7.293 -8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 51 68.345 8.745 -9.417 1.00 0.00 H new ATOM 340 N THR A 52 72.966 11.161 -9.984 1.00 0.00 N ATOM 341 CA THR A 52 74.348 11.077 -9.410 1.00 0.00 C ATOM 342 C THR A 52 74.643 12.296 -8.531 1.00 0.00 C ATOM 343 O THR A 52 73.964 13.306 -8.616 1.00 0.00 O ATOM 344 CB THR A 52 75.283 11.056 -10.621 1.00 0.00 C ATOM 345 OG1 THR A 52 74.995 12.166 -11.459 1.00 0.00 O ATOM 346 CG2 THR A 52 75.085 9.754 -11.405 1.00 0.00 C ATOM 0 H THR A 52 72.659 12.103 -10.224 1.00 0.00 H new ATOM 0 HA THR A 52 74.472 10.197 -8.779 1.00 0.00 H new ATOM 0 HB THR A 52 76.317 11.115 -10.281 1.00 0.00 H new ATOM 0 HG1 THR A 52 74.177 12.607 -11.148 1.00 0.00 H new ATOM 0 HG21 THR A 52 75.753 9.743 -12.267 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.310 8.904 -10.761 1.00 0.00 H new ATOM 0 HG23 THR A 52 74.052 9.688 -11.746 1.00 0.00 H new ATOM 354 N CYS A 53 75.655 12.198 -7.695 1.00 0.00 N ATOM 355 CA CYS A 53 76.035 13.341 -6.803 1.00 0.00 C ATOM 356 C CYS A 53 77.562 13.475 -6.717 1.00 0.00 C ATOM 357 O CYS A 53 78.289 12.571 -7.088 1.00 0.00 O ATOM 358 CB CYS A 53 75.417 13.041 -5.422 1.00 0.00 C ATOM 359 SG CYS A 53 76.009 11.460 -4.745 1.00 0.00 S ATOM 0 H CYS A 53 76.237 11.367 -7.594 1.00 0.00 H new ATOM 0 HA CYS A 53 75.664 14.289 -7.191 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.663 13.847 -4.731 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.331 13.015 -5.508 1.00 0.00 H new ATOM 364 N ILE A 54 78.034 14.598 -6.228 1.00 0.00 N ATOM 365 CA ILE A 54 79.506 14.883 -6.216 1.00 0.00 C ATOM 366 C ILE A 54 79.997 14.932 -4.760 1.00 0.00 C ATOM 367 O ILE A 54 79.383 15.568 -3.922 1.00 0.00 O ATOM 368 CB ILE A 54 79.658 16.257 -6.907 1.00 0.00 C ATOM 369 CG1 ILE A 54 79.130 16.187 -8.347 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.134 16.674 -6.954 1.00 0.00 C ATOM 371 CD1 ILE A 54 78.947 17.605 -8.895 1.00 0.00 C ATOM 0 H ILE A 54 77.455 15.338 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 54 80.094 14.121 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 54 79.086 16.986 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.827 15.631 -8.974 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.181 15.651 -8.372 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.223 17.644 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.525 16.743 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.704 15.932 -7.513 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.572 17.554 -9.917 1.00 0.00 H new ATOM 0 HD12 ILE A 54 78.234 18.146 -8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 54 79.905 18.125 -8.885 1.00 0.00 H new ATOM 383 N THR A 55 81.093 14.265 -4.469 1.00 0.00 N ATOM 384 CA THR A 55 81.634 14.255 -3.068 1.00 0.00 C ATOM 385 C THR A 55 83.168 14.293 -3.069 1.00 0.00 C ATOM 386 O THR A 55 83.804 13.872 -4.018 1.00 0.00 O ATOM 387 CB THR A 55 81.107 12.954 -2.433 1.00 0.00 C ATOM 388 OG1 THR A 55 81.576 12.870 -1.094 1.00 0.00 O ATOM 389 CG2 THR A 55 81.581 11.719 -3.212 1.00 0.00 C ATOM 0 H THR A 55 81.637 13.726 -5.143 1.00 0.00 H new ATOM 0 HA THR A 55 81.313 15.132 -2.506 1.00 0.00 H new ATOM 0 HB THR A 55 80.017 12.975 -2.458 1.00 0.00 H new ATOM 0 HG1 THR A 55 81.067 12.185 -0.611 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.192 10.818 -2.738 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.218 11.775 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.671 11.686 -3.214 1.00 0.00 H new ATOM 397 N ASN A 56 83.752 14.802 -2.007 1.00 0.00 N ATOM 398 CA ASN A 56 85.224 14.632 -1.782 1.00 0.00 C ATOM 399 C ASN A 56 85.485 13.650 -0.630 1.00 0.00 C ATOM 400 O ASN A 56 86.476 13.764 0.070 1.00 0.00 O ATOM 401 CB ASN A 56 85.762 16.038 -1.450 1.00 0.00 C ATOM 402 CG ASN A 56 85.086 16.627 -0.199 1.00 0.00 C ATOM 403 OD1 ASN A 56 84.062 16.146 0.249 1.00 0.00 O ATOM 404 ND2 ASN A 56 85.624 17.662 0.387 1.00 0.00 N ATOM 0 H ASN A 56 83.267 15.331 -1.282 1.00 0.00 H new ATOM 0 HA ASN A 56 85.722 14.217 -2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 56 86.839 15.987 -1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 56 85.596 16.701 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 56 85.186 18.063 1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 56 86.482 18.069 0.016 1.00 0.00 H new ATOM 411 N GLY A 57 84.600 12.694 -0.436 1.00 0.00 N ATOM 412 CA GLY A 57 84.809 11.646 0.612 1.00 0.00 C ATOM 413 C GLY A 57 84.786 10.264 -0.045 1.00 0.00 C ATOM 414 O GLY A 57 85.781 9.817 -0.588 1.00 0.00 O ATOM 0 H GLY A 57 83.734 12.598 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.761 11.805 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.030 11.714 1.371 1.00 0.00 H new ATOM 418 N HIS A 58 83.657 9.594 0.006 1.00 0.00 N ATOM 419 CA HIS A 58 83.520 8.260 -0.663 1.00 0.00 C ATOM 420 C HIS A 58 82.109 8.121 -1.240 1.00 0.00 C ATOM 421 O HIS A 58 81.246 8.940 -0.980 1.00 0.00 O ATOM 422 CB HIS A 58 83.735 7.202 0.429 1.00 0.00 C ATOM 423 CG HIS A 58 85.021 7.346 1.205 1.00 0.00 C ATOM 424 ND1 HIS A 58 85.225 8.371 2.116 1.00 0.00 N ATOM 425 CD2 HIS A 58 86.167 6.593 1.227 1.00 0.00 C ATOM 426 CE1 HIS A 58 86.453 8.208 2.641 1.00 0.00 C ATOM 427 NE2 HIS A 58 87.071 7.140 2.133 1.00 0.00 N ATOM 0 H HIS A 58 82.818 9.918 0.487 1.00 0.00 H new ATOM 0 HA HIS A 58 84.238 8.145 -1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 58 82.899 7.246 1.127 1.00 0.00 H new ATOM 0 HB3 HIS A 58 83.714 6.215 -0.032 1.00 0.00 H new ATOM 0 HD2 HIS A 58 86.342 5.709 0.631 1.00 0.00 H new ATOM 0 HE1 HIS A 58 86.886 8.862 3.383 1.00 0.00 H new ATOM 0 HE2 HIS A 58 88.005 6.798 2.360 1.00 0.00 H new ATOM 435 N CYS A 59 81.880 7.093 -2.020 1.00 0.00 N ATOM 436 CA CYS A 59 80.480 6.676 -2.343 1.00 0.00 C ATOM 437 C CYS A 59 80.041 5.631 -1.317 1.00 0.00 C ATOM 438 O CYS A 59 80.822 4.766 -0.957 1.00 0.00 O ATOM 439 CB CYS A 59 80.518 6.046 -3.746 1.00 0.00 C ATOM 440 SG CYS A 59 81.152 7.211 -4.987 1.00 0.00 S ATOM 0 H CYS A 59 82.608 6.521 -2.449 1.00 0.00 H new ATOM 0 HA CYS A 59 79.786 7.516 -2.317 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.146 5.155 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.516 5.724 -4.028 1.00 0.00 H new ATOM 445 N PHE A 60 78.813 5.699 -0.847 1.00 0.00 N ATOM 446 CA PHE A 60 78.346 4.732 0.196 1.00 0.00 C ATOM 447 C PHE A 60 77.006 4.102 -0.215 1.00 0.00 C ATOM 448 O PHE A 60 76.198 4.730 -0.875 1.00 0.00 O ATOM 449 CB PHE A 60 78.240 5.546 1.507 1.00 0.00 C ATOM 450 CG PHE A 60 76.996 6.404 1.660 1.00 0.00 C ATOM 451 CD1 PHE A 60 76.987 7.756 1.196 1.00 0.00 C ATOM 452 CD2 PHE A 60 75.830 5.853 2.276 1.00 0.00 C ATOM 453 CE1 PHE A 60 75.812 8.555 1.348 1.00 0.00 C ATOM 454 CE2 PHE A 60 74.654 6.652 2.427 1.00 0.00 C ATOM 455 CZ PHE A 60 74.646 8.003 1.964 1.00 0.00 C ATOM 0 H PHE A 60 78.117 6.383 -1.143 1.00 0.00 H new ATOM 0 HA PHE A 60 79.035 3.897 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.284 4.852 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.114 6.192 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 60 77.868 8.173 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 60 75.837 4.832 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 60 75.805 9.576 0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 60 73.773 6.234 2.891 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.759 8.608 2.079 1.00 0.00 H new ATOM 465 N ALA A 61 76.784 2.869 0.179 1.00 0.00 N ATOM 466 CA ALA A 61 75.502 2.174 -0.144 1.00 0.00 C ATOM 467 C ALA A 61 75.195 1.141 0.939 1.00 0.00 C ATOM 468 O ALA A 61 76.090 0.480 1.438 1.00 0.00 O ATOM 469 CB ALA A 61 75.745 1.492 -1.490 1.00 0.00 C ATOM 0 H ALA A 61 77.447 2.311 0.717 1.00 0.00 H new ATOM 0 HA ALA A 61 74.654 2.857 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 61 74.845 0.959 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 61 75.993 2.244 -2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.571 0.787 -1.397 1.00 0.00 H new ATOM 475 N ILE A 62 73.941 1.000 1.299 1.00 0.00 N ATOM 476 CA ILE A 62 73.571 0.154 2.473 1.00 0.00 C ATOM 477 C ILE A 62 72.238 -0.575 2.216 1.00 0.00 C ATOM 478 O ILE A 62 71.378 -0.076 1.510 1.00 0.00 O ATOM 479 CB ILE A 62 73.480 1.134 3.663 1.00 0.00 C ATOM 480 CG1 ILE A 62 73.184 0.361 4.953 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.380 2.181 3.435 1.00 0.00 C ATOM 482 CD1 ILE A 62 73.464 1.258 6.161 1.00 0.00 C ATOM 0 H ILE A 62 73.153 1.440 0.824 1.00 0.00 H new ATOM 0 HA ILE A 62 74.301 -0.631 2.670 1.00 0.00 H new ATOM 0 HB ILE A 62 74.437 1.648 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 62 72.144 0.034 4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.801 -0.536 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.339 2.857 4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.601 2.750 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.419 1.680 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 62 73.254 0.709 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.510 1.563 6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.828 2.142 6.113 1.00 0.00 H new ATOM 494 N ILE A 63 72.083 -1.747 2.785 1.00 0.00 N ATOM 495 CA ILE A 63 70.802 -2.513 2.666 1.00 0.00 C ATOM 496 C ILE A 63 70.401 -3.053 4.049 1.00 0.00 C ATOM 497 O ILE A 63 71.251 -3.422 4.838 1.00 0.00 O ATOM 498 CB ILE A 63 71.094 -3.648 1.658 1.00 0.00 C ATOM 499 CG1 ILE A 63 69.832 -4.495 1.447 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.227 -4.555 2.158 1.00 0.00 C ATOM 501 CD1 ILE A 63 70.005 -5.378 0.209 1.00 0.00 C ATOM 0 H ILE A 63 72.804 -2.213 3.337 1.00 0.00 H new ATOM 0 HA ILE A 63 69.968 -1.903 2.319 1.00 0.00 H new ATOM 0 HB ILE A 63 71.400 -3.190 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 63 69.647 -5.115 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 63 68.964 -3.847 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.410 -5.344 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 63 73.134 -3.965 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 63 71.942 -5.001 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 63 69.107 -5.978 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 63 70.169 -4.749 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 63 70.863 -6.036 0.348 1.00 0.00 H new ATOM 513 N GLU A 64 69.119 -3.110 4.329 1.00 0.00 N ATOM 514 CA GLU A 64 68.647 -3.358 5.729 1.00 0.00 C ATOM 515 C GLU A 64 67.331 -4.137 5.702 1.00 0.00 C ATOM 516 O GLU A 64 66.523 -3.955 4.809 1.00 0.00 O ATOM 517 CB GLU A 64 68.429 -1.972 6.344 1.00 0.00 C ATOM 518 CG GLU A 64 69.762 -1.224 6.450 1.00 0.00 C ATOM 519 CD GLU A 64 69.574 0.041 7.291 1.00 0.00 C ATOM 520 OE1 GLU A 64 68.935 -0.047 8.327 1.00 0.00 O ATOM 521 OE2 GLU A 64 70.071 1.078 6.883 1.00 0.00 O ATOM 0 H GLU A 64 68.374 -2.994 3.641 1.00 0.00 H new ATOM 0 HA GLU A 64 69.365 -3.943 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 64 67.731 -1.401 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 64 67.980 -2.071 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.516 -1.866 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.124 -0.962 5.456 1.00 0.00 H new ATOM 528 N GLU A 65 67.118 -4.997 6.674 1.00 0.00 N ATOM 529 CA GLU A 65 65.897 -5.862 6.681 1.00 0.00 C ATOM 530 C GLU A 65 64.854 -5.297 7.653 1.00 0.00 C ATOM 531 O GLU A 65 65.087 -5.224 8.847 1.00 0.00 O ATOM 532 CB GLU A 65 66.405 -7.230 7.152 1.00 0.00 C ATOM 533 CG GLU A 65 65.281 -8.275 7.080 1.00 0.00 C ATOM 534 CD GLU A 65 64.504 -8.323 8.404 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.111 -8.120 9.445 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.313 -8.573 8.354 1.00 0.00 O ATOM 0 H GLU A 65 67.744 -5.135 7.467 1.00 0.00 H new ATOM 0 HA GLU A 65 65.411 -5.919 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.244 -7.546 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.775 -7.155 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.603 -8.032 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.703 -9.257 6.863 1.00 0.00 H new ATOM 543 N ASP A 66 63.709 -4.901 7.140 1.00 0.00 N ATOM 544 CA ASP A 66 62.663 -4.248 7.994 1.00 0.00 C ATOM 545 C ASP A 66 61.755 -5.304 8.637 1.00 0.00 C ATOM 546 O ASP A 66 61.873 -6.482 8.354 1.00 0.00 O ATOM 547 CB ASP A 66 61.868 -3.317 7.058 1.00 0.00 C ATOM 548 CG ASP A 66 61.203 -4.102 5.918 1.00 0.00 C ATOM 549 OD1 ASP A 66 60.377 -4.951 6.210 1.00 0.00 O ATOM 550 OD2 ASP A 66 61.532 -3.837 4.774 1.00 0.00 O ATOM 0 H ASP A 66 63.454 -5.004 6.158 1.00 0.00 H new ATOM 0 HA ASP A 66 63.108 -3.685 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.106 -2.788 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.535 -2.562 6.641 1.00 0.00 H new ATOM 555 N ASP A 67 60.849 -4.882 9.491 1.00 0.00 N ATOM 556 CA ASP A 67 60.025 -5.854 10.294 1.00 0.00 C ATOM 557 C ASP A 67 59.185 -6.783 9.396 1.00 0.00 C ATOM 558 O ASP A 67 58.718 -7.814 9.850 1.00 0.00 O ATOM 559 CB ASP A 67 59.115 -5.004 11.203 1.00 0.00 C ATOM 560 CG ASP A 67 58.224 -4.072 10.371 1.00 0.00 C ATOM 561 OD1 ASP A 67 58.768 -3.235 9.670 1.00 0.00 O ATOM 562 OD2 ASP A 67 57.015 -4.212 10.451 1.00 0.00 O ATOM 0 H ASP A 67 60.642 -3.899 9.669 1.00 0.00 H new ATOM 0 HA ASP A 67 60.674 -6.509 10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 67 58.493 -5.658 11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 67 59.726 -4.414 11.887 1.00 0.00 H new ATOM 567 N GLN A 68 58.990 -6.430 8.141 1.00 0.00 N ATOM 568 CA GLN A 68 58.214 -7.312 7.207 1.00 0.00 C ATOM 569 C GLN A 68 59.135 -8.266 6.423 1.00 0.00 C ATOM 570 O GLN A 68 58.655 -9.183 5.780 1.00 0.00 O ATOM 571 CB GLN A 68 57.501 -6.355 6.251 1.00 0.00 C ATOM 572 CG GLN A 68 56.388 -5.618 7.000 1.00 0.00 C ATOM 573 CD GLN A 68 55.618 -4.727 6.023 1.00 0.00 C ATOM 574 OE1 GLN A 68 54.770 -5.198 5.290 1.00 0.00 O ATOM 575 NE2 GLN A 68 55.880 -3.449 5.982 1.00 0.00 N ATOM 0 H GLN A 68 59.337 -5.566 7.725 1.00 0.00 H new ATOM 0 HA GLN A 68 57.519 -7.948 7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.212 -5.639 5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 68 57.083 -6.909 5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 68 55.712 -6.335 7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 68 56.813 -5.014 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 68 56.591 -3.054 6.597 1.00 0.00 H new ATOM 0 HE22 GLN A 68 55.373 -2.845 5.335 1.00 0.00 H new ATOM 584 N GLY A 69 60.436 -8.062 6.468 1.00 0.00 N ATOM 585 CA GLY A 69 61.388 -8.992 5.782 1.00 0.00 C ATOM 586 C GLY A 69 61.667 -8.534 4.342 1.00 0.00 C ATOM 587 O GLY A 69 62.102 -9.327 3.522 1.00 0.00 O ATOM 0 H GLY A 69 60.878 -7.283 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.323 -9.037 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.973 -10.000 5.773 1.00 0.00 H new ATOM 591 N GLU A 70 61.423 -7.278 4.023 1.00 0.00 N ATOM 592 CA GLU A 70 61.886 -6.717 2.715 1.00 0.00 C ATOM 593 C GLU A 70 63.206 -5.967 2.911 1.00 0.00 C ATOM 594 O GLU A 70 63.424 -5.355 3.943 1.00 0.00 O ATOM 595 CB GLU A 70 60.782 -5.752 2.279 1.00 0.00 C ATOM 596 CG GLU A 70 59.515 -6.541 1.942 1.00 0.00 C ATOM 597 CD GLU A 70 58.433 -5.582 1.440 1.00 0.00 C ATOM 598 OE1 GLU A 70 58.380 -5.356 0.243 1.00 0.00 O ATOM 599 OE2 GLU A 70 57.676 -5.092 2.263 1.00 0.00 O ATOM 0 H GLU A 70 60.921 -6.619 4.618 1.00 0.00 H new ATOM 0 HA GLU A 70 62.061 -7.493 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.576 -5.036 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 70 61.108 -5.179 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.733 -7.291 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 70 59.161 -7.075 2.824 1.00 0.00 H new ATOM 606 N THR A 71 64.081 -6.019 1.931 1.00 0.00 N ATOM 607 CA THR A 71 65.385 -5.289 2.028 1.00 0.00 C ATOM 608 C THR A 71 65.275 -3.919 1.353 1.00 0.00 C ATOM 609 O THR A 71 64.842 -3.815 0.220 1.00 0.00 O ATOM 610 CB THR A 71 66.400 -6.166 1.288 1.00 0.00 C ATOM 611 OG1 THR A 71 65.847 -6.606 0.056 1.00 0.00 O ATOM 612 CG2 THR A 71 66.754 -7.376 2.154 1.00 0.00 C ATOM 0 H THR A 71 63.945 -6.539 1.064 1.00 0.00 H new ATOM 0 HA THR A 71 65.678 -5.116 3.063 1.00 0.00 H new ATOM 0 HB THR A 71 67.301 -5.586 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.349 -5.871 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.476 -8.001 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 71 67.186 -7.036 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.853 -7.955 2.356 1.00 0.00 H new ATOM 620 N THR A 72 65.667 -2.876 2.051 1.00 0.00 N ATOM 621 CA THR A 72 65.623 -1.497 1.466 1.00 0.00 C ATOM 622 C THR A 72 67.005 -1.101 0.935 1.00 0.00 C ATOM 623 O THR A 72 67.965 -1.035 1.684 1.00 0.00 O ATOM 624 CB THR A 72 65.214 -0.587 2.624 1.00 0.00 C ATOM 625 OG1 THR A 72 66.020 -0.870 3.759 1.00 0.00 O ATOM 626 CG2 THR A 72 63.744 -0.828 2.968 1.00 0.00 C ATOM 0 H THR A 72 66.018 -2.923 3.008 1.00 0.00 H new ATOM 0 HA THR A 72 64.929 -1.428 0.628 1.00 0.00 H new ATOM 0 HB THR A 72 65.352 0.454 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 72 66.921 -1.119 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.452 -0.179 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 72 63.126 -0.608 2.098 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.604 -1.869 3.258 1.00 0.00 H new ATOM 634 N LEU A 73 67.101 -0.839 -0.350 1.00 0.00 N ATOM 635 CA LEU A 73 68.404 -0.426 -0.960 1.00 0.00 C ATOM 636 C LEU A 73 68.472 1.097 -1.093 1.00 0.00 C ATOM 637 O LEU A 73 67.581 1.713 -1.654 1.00 0.00 O ATOM 638 CB LEU A 73 68.419 -1.081 -2.343 1.00 0.00 C ATOM 639 CG LEU A 73 68.679 -2.581 -2.198 1.00 0.00 C ATOM 640 CD1 LEU A 73 68.162 -3.311 -3.439 1.00 0.00 C ATOM 641 CD2 LEU A 73 70.183 -2.825 -2.054 1.00 0.00 C ATOM 0 H LEU A 73 66.322 -0.895 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 73 69.256 -0.730 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.467 -0.914 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 73 69.191 -0.626 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 73 68.162 -2.956 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 73 68.347 -4.380 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.091 -3.137 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.679 -2.937 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 73 70.370 -3.894 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 73 70.699 -2.450 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.553 -2.305 -1.171 1.00 0.00 H new ATOM 653 N ALA A 74 69.522 1.701 -0.580 1.00 0.00 N ATOM 654 CA ALA A 74 69.724 3.173 -0.763 1.00 0.00 C ATOM 655 C ALA A 74 71.218 3.505 -0.828 1.00 0.00 C ATOM 656 O ALA A 74 72.024 2.883 -0.160 1.00 0.00 O ATOM 657 CB ALA A 74 69.087 3.816 0.469 1.00 0.00 C ATOM 0 H ALA A 74 70.250 1.233 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 74 69.280 3.535 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.194 4.899 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 74 68.029 3.557 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.584 3.451 1.368 1.00 0.00 H new ATOM 663 N SER A 75 71.579 4.481 -1.632 1.00 0.00 N ATOM 664 CA SER A 75 73.004 4.930 -1.714 1.00 0.00 C ATOM 665 C SER A 75 73.057 6.448 -1.911 1.00 0.00 C ATOM 666 O SER A 75 72.053 7.070 -2.215 1.00 0.00 O ATOM 667 CB SER A 75 73.590 4.198 -2.920 1.00 0.00 C ATOM 668 OG SER A 75 72.854 4.544 -4.084 1.00 0.00 O ATOM 0 H SER A 75 70.937 4.989 -2.240 1.00 0.00 H new ATOM 0 HA SER A 75 73.565 4.707 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.639 4.465 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.552 3.121 -2.759 1.00 0.00 H new ATOM 0 HG SER A 75 73.438 4.489 -4.869 1.00 0.00 H new ATOM 674 N GLY A 76 74.221 7.040 -1.742 1.00 0.00 N ATOM 675 CA GLY A 76 74.354 8.522 -1.903 1.00 0.00 C ATOM 676 C GLY A 76 75.812 8.947 -1.695 1.00 0.00 C ATOM 677 O GLY A 76 76.709 8.121 -1.681 1.00 0.00 O ATOM 0 H GLY A 76 75.085 6.555 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.019 8.819 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.712 9.032 -1.185 1.00 0.00 H new ATOM 681 N CYS A 77 76.041 10.233 -1.534 1.00 0.00 N ATOM 682 CA CYS A 77 77.435 10.764 -1.403 1.00 0.00 C ATOM 683 C CYS A 77 77.799 10.951 0.073 1.00 0.00 C ATOM 684 O CYS A 77 77.030 11.509 0.837 1.00 0.00 O ATOM 685 CB CYS A 77 77.409 12.120 -2.121 1.00 0.00 C ATOM 686 SG CYS A 77 77.789 11.907 -3.879 1.00 0.00 S ATOM 0 H CYS A 77 75.310 10.943 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 77 78.175 10.086 -1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.428 12.581 -2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.133 12.795 -1.665 1.00 0.00 H new ATOM 691 N MET A 78 78.964 10.488 0.469 1.00 0.00 N ATOM 692 CA MET A 78 79.419 10.656 1.885 1.00 0.00 C ATOM 693 C MET A 78 80.410 11.818 1.986 1.00 0.00 C ATOM 694 O MET A 78 81.431 11.825 1.320 1.00 0.00 O ATOM 695 CB MET A 78 80.105 9.335 2.239 1.00 0.00 C ATOM 696 CG MET A 78 80.366 9.283 3.746 1.00 0.00 C ATOM 697 SD MET A 78 81.185 7.723 4.164 1.00 0.00 S ATOM 698 CE MET A 78 79.733 6.652 4.010 1.00 0.00 C ATOM 0 H MET A 78 79.623 9.997 -0.135 1.00 0.00 H new ATOM 0 HA MET A 78 78.594 10.881 2.561 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.478 8.495 1.939 1.00 0.00 H new ATOM 0 HB3 MET A 78 81.044 9.243 1.693 1.00 0.00 H new ATOM 0 HG2 MET A 78 80.989 10.125 4.047 1.00 0.00 H new ATOM 0 HG3 MET A 78 79.427 9.370 4.292 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.433 6.301 4.997 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.914 7.212 3.560 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.977 5.797 3.380 1.00 0.00 H new ATOM 708 N LYS A 79 80.112 12.795 2.817 1.00 0.00 N ATOM 709 CA LYS A 79 81.028 13.978 2.973 1.00 0.00 C ATOM 710 C LYS A 79 82.364 13.548 3.595 1.00 0.00 C ATOM 711 O LYS A 79 82.493 12.441 4.089 1.00 0.00 O ATOM 712 CB LYS A 79 80.289 14.985 3.879 1.00 0.00 C ATOM 713 CG LYS A 79 79.980 14.375 5.256 1.00 0.00 C ATOM 714 CD LYS A 79 79.463 15.468 6.192 1.00 0.00 C ATOM 715 CE LYS A 79 79.536 14.978 7.639 1.00 0.00 C ATOM 716 NZ LYS A 79 78.313 14.150 7.825 1.00 0.00 N ATOM 0 H LYS A 79 79.272 12.824 3.395 1.00 0.00 H new ATOM 0 HA LYS A 79 81.264 14.427 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 79 80.898 15.880 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 79 79.361 15.295 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 79 79.236 13.584 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 79 80.877 13.918 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 79 80.057 16.374 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 79 78.435 15.725 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 79 80.439 14.393 7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 79 79.558 15.814 8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 78.291 13.777 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 77.469 14.735 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 78.324 13.359 7.150 1.00 0.00 H new ATOM 730 N TYR A 80 83.349 14.420 3.569 1.00 0.00 N ATOM 731 CA TYR A 80 84.693 14.082 4.153 1.00 0.00 C ATOM 732 C TYR A 80 84.588 13.897 5.670 1.00 0.00 C ATOM 733 O TYR A 80 83.780 14.538 6.320 1.00 0.00 O ATOM 734 CB TYR A 80 85.604 15.272 3.831 1.00 0.00 C ATOM 735 CG TYR A 80 87.048 15.048 4.212 1.00 0.00 C ATOM 736 CD1 TYR A 80 87.927 14.370 3.311 1.00 0.00 C ATOM 737 CD2 TYR A 80 87.536 15.513 5.472 1.00 0.00 C ATOM 738 CE1 TYR A 80 89.294 14.157 3.671 1.00 0.00 C ATOM 739 CE2 TYR A 80 88.903 15.299 5.832 1.00 0.00 C ATOM 740 CZ TYR A 80 89.782 14.622 4.932 1.00 0.00 C ATOM 741 OH TYR A 80 91.100 14.415 5.280 1.00 0.00 O ATOM 0 H TYR A 80 83.280 15.355 3.167 1.00 0.00 H new ATOM 0 HA TYR A 80 85.082 13.152 3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 80 85.547 15.484 2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 80 85.232 16.155 4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 80 87.558 14.019 2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 80 86.872 16.026 6.152 1.00 0.00 H new ATOM 0 HE1 TYR A 80 89.958 13.645 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 80 89.271 15.649 6.785 1.00 0.00 H new ATOM 0 HH TYR A 80 91.267 14.794 6.168 1.00 0.00 H new ATOM 751 N GLU A 81 85.396 13.023 6.226 1.00 0.00 N ATOM 752 CA GLU A 81 85.345 12.753 7.696 1.00 0.00 C ATOM 753 C GLU A 81 86.757 12.537 8.250 1.00 0.00 C ATOM 754 O GLU A 81 87.128 13.121 9.254 1.00 0.00 O ATOM 755 CB GLU A 81 84.516 11.476 7.836 1.00 0.00 C ATOM 756 CG GLU A 81 83.064 11.761 7.445 1.00 0.00 C ATOM 757 CD GLU A 81 82.205 10.523 7.714 1.00 0.00 C ATOM 758 OE1 GLU A 81 82.643 9.435 7.379 1.00 0.00 O ATOM 759 OE2 GLU A 81 81.121 10.684 8.253 1.00 0.00 O ATOM 0 H GLU A 81 86.094 12.481 5.717 1.00 0.00 H new ATOM 0 HA GLU A 81 84.912 13.586 8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 81 84.927 10.692 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 81 84.562 11.111 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.684 12.610 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 81 83.008 12.033 6.391 1.00 0.00 H new ATOM 766 N GLY A 82 87.538 11.705 7.598 1.00 0.00 N ATOM 767 CA GLY A 82 88.918 11.399 8.089 1.00 0.00 C ATOM 768 C GLY A 82 89.242 9.922 7.841 1.00 0.00 C ATOM 769 O GLY A 82 90.376 9.575 7.566 1.00 0.00 O ATOM 0 H GLY A 82 87.274 11.222 6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.644 12.031 7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 82 88.993 11.624 9.153 1.00 0.00 H new ATOM 773 N SER A 83 88.251 9.061 7.940 1.00 0.00 N ATOM 774 CA SER A 83 88.488 7.596 7.717 1.00 0.00 C ATOM 775 C SER A 83 88.736 7.324 6.231 1.00 0.00 C ATOM 776 O SER A 83 87.931 7.683 5.391 1.00 0.00 O ATOM 777 CB SER A 83 87.213 6.886 8.183 1.00 0.00 C ATOM 778 OG SER A 83 86.079 7.553 7.643 1.00 0.00 O ATOM 0 H SER A 83 87.288 9.311 8.166 1.00 0.00 H new ATOM 0 HA SER A 83 89.362 7.242 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 83 87.224 5.845 7.861 1.00 0.00 H new ATOM 0 HB3 SER A 83 87.163 6.882 9.272 1.00 0.00 H new ATOM 0 HG SER A 83 86.242 7.764 6.700 1.00 0.00 H new ATOM 784 N ASP A 84 89.844 6.692 5.914 1.00 0.00 N ATOM 785 CA ASP A 84 90.169 6.382 4.482 1.00 0.00 C ATOM 786 C ASP A 84 89.320 5.207 3.992 1.00 0.00 C ATOM 787 O ASP A 84 88.772 5.245 2.904 1.00 0.00 O ATOM 788 CB ASP A 84 91.657 6.017 4.458 1.00 0.00 C ATOM 789 CG ASP A 84 92.139 5.934 3.008 1.00 0.00 C ATOM 790 OD1 ASP A 84 92.063 4.857 2.439 1.00 0.00 O ATOM 791 OD2 ASP A 84 92.579 6.948 2.493 1.00 0.00 O ATOM 0 H ASP A 84 90.540 6.376 6.589 1.00 0.00 H new ATOM 0 HA ASP A 84 89.958 7.228 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 84 92.234 6.764 5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 84 91.816 5.063 4.961 1.00 0.00 H new ATOM 796 N PHE A 85 89.215 4.167 4.791 1.00 0.00 N ATOM 797 CA PHE A 85 88.353 2.999 4.423 1.00 0.00 C ATOM 798 C PHE A 85 87.910 2.237 5.679 1.00 0.00 C ATOM 799 O PHE A 85 87.700 1.037 5.632 1.00 0.00 O ATOM 800 CB PHE A 85 89.233 2.119 3.534 1.00 0.00 C ATOM 801 CG PHE A 85 88.479 0.997 2.859 1.00 0.00 C ATOM 802 CD1 PHE A 85 87.653 1.273 1.726 1.00 0.00 C ATOM 803 CD2 PHE A 85 88.596 -0.340 3.349 1.00 0.00 C ATOM 804 CE1 PHE A 85 86.941 0.213 1.085 1.00 0.00 C ATOM 805 CE2 PHE A 85 87.884 -1.401 2.709 1.00 0.00 C ATOM 806 CZ PHE A 85 87.056 -1.125 1.577 1.00 0.00 C ATOM 0 H PHE A 85 89.694 4.079 5.687 1.00 0.00 H new ATOM 0 HA PHE A 85 87.441 3.308 3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 85 89.702 2.741 2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 85 90.036 1.695 4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 85 87.567 2.283 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 85 89.223 -0.549 4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 85 86.316 0.422 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 85 87.972 -2.411 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 85 86.517 -1.927 1.093 1.00 0.00 H new ATOM 816 N GLN A 86 87.767 2.926 6.791 1.00 0.00 N ATOM 817 CA GLN A 86 87.318 2.255 8.056 1.00 0.00 C ATOM 818 C GLN A 86 85.797 2.047 8.028 1.00 0.00 C ATOM 819 O GLN A 86 85.041 2.840 8.569 1.00 0.00 O ATOM 820 CB GLN A 86 87.724 3.201 9.196 1.00 0.00 C ATOM 821 CG GLN A 86 89.249 3.277 9.280 1.00 0.00 C ATOM 822 CD GLN A 86 89.654 4.250 10.390 1.00 0.00 C ATOM 823 OE1 GLN A 86 89.027 5.274 10.576 1.00 0.00 O ATOM 824 NE2 GLN A 86 90.685 3.970 11.141 1.00 0.00 N ATOM 0 H GLN A 86 87.943 3.927 6.876 1.00 0.00 H new ATOM 0 HA GLN A 86 87.771 1.272 8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 86 87.309 4.194 9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 86 87.315 2.845 10.141 1.00 0.00 H new ATOM 0 HG2 GLN A 86 89.662 2.288 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 86 89.660 3.607 8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 86 91.211 3.110 10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 86 90.964 4.611 11.884 1.00 0.00 H new ATOM 833 N CYS A 87 85.352 0.983 7.398 1.00 0.00 N ATOM 834 CA CYS A 87 83.886 0.681 7.335 1.00 0.00 C ATOM 835 C CYS A 87 83.563 -0.571 8.162 1.00 0.00 C ATOM 836 O CYS A 87 82.658 -1.317 7.832 1.00 0.00 O ATOM 837 CB CYS A 87 83.593 0.441 5.851 1.00 0.00 C ATOM 838 SG CYS A 87 83.775 1.993 4.933 1.00 0.00 S ATOM 0 H CYS A 87 85.948 0.306 6.921 1.00 0.00 H new ATOM 0 HA CYS A 87 83.280 1.490 7.743 1.00 0.00 H new ATOM 0 HB2 CYS A 87 84.275 -0.310 5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 87 82.582 0.051 5.728 1.00 0.00 H new ATOM 843 N LYS A 88 84.299 -0.796 9.231 1.00 0.00 N ATOM 844 CA LYS A 88 84.063 -2.007 10.086 1.00 0.00 C ATOM 845 C LYS A 88 82.930 -1.742 11.083 1.00 0.00 C ATOM 846 O LYS A 88 82.412 -0.641 11.160 1.00 0.00 O ATOM 847 CB LYS A 88 85.378 -2.245 10.835 1.00 0.00 C ATOM 848 CG LYS A 88 86.465 -2.659 9.842 1.00 0.00 C ATOM 849 CD LYS A 88 87.781 -2.885 10.587 1.00 0.00 C ATOM 850 CE LYS A 88 87.697 -4.184 11.391 1.00 0.00 C ATOM 851 NZ LYS A 88 89.057 -4.366 11.970 1.00 0.00 N ATOM 0 H LYS A 88 85.055 -0.189 9.548 1.00 0.00 H new ATOM 0 HA LYS A 88 83.773 -2.871 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.678 -1.339 11.361 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.244 -3.022 11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.169 -3.570 9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 88 86.593 -1.886 9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 88 88.608 -2.936 9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.983 -2.046 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 88 86.941 -4.116 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.423 -5.025 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 89.079 -5.238 12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 89.755 -4.434 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 89.288 -3.553 12.576 1.00 0.00 H new ATOM 865 N ASP A 89 82.550 -2.748 11.840 1.00 0.00 N ATOM 866 CA ASP A 89 81.511 -2.565 12.899 1.00 0.00 C ATOM 867 C ASP A 89 81.678 -3.619 13.999 1.00 0.00 C ATOM 868 O ASP A 89 82.012 -4.759 13.722 1.00 0.00 O ATOM 869 CB ASP A 89 80.175 -2.751 12.179 1.00 0.00 C ATOM 870 CG ASP A 89 79.074 -2.008 12.940 1.00 0.00 C ATOM 871 OD1 ASP A 89 79.306 -0.871 13.317 1.00 0.00 O ATOM 872 OD2 ASP A 89 78.021 -2.591 13.134 1.00 0.00 O ATOM 0 H ASP A 89 82.921 -3.695 11.766 1.00 0.00 H new ATOM 0 HA ASP A 89 81.584 -1.590 13.382 1.00 0.00 H new ATOM 0 HB2 ASP A 89 80.244 -2.373 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 89 79.932 -3.811 12.110 1.00 0.00 H new ATOM 877 N SER A 90 81.449 -3.238 15.236 1.00 0.00 N ATOM 878 CA SER A 90 81.532 -4.215 16.372 1.00 0.00 C ATOM 879 C SER A 90 80.266 -5.089 16.410 1.00 0.00 C ATOM 880 O SER A 90 79.273 -4.731 15.803 1.00 0.00 O ATOM 881 CB SER A 90 81.632 -3.370 17.645 1.00 0.00 C ATOM 882 OG SER A 90 82.613 -2.358 17.462 1.00 0.00 O ATOM 0 H SER A 90 81.207 -2.286 15.509 1.00 0.00 H new ATOM 0 HA SER A 90 82.387 -4.883 16.268 1.00 0.00 H new ATOM 0 HB2 SER A 90 80.666 -2.919 17.873 1.00 0.00 H new ATOM 0 HB3 SER A 90 81.897 -4.000 18.494 1.00 0.00 H new ATOM 0 HG SER A 90 82.678 -1.814 18.275 1.00 0.00 H new ATOM 888 N PRO A 91 80.325 -6.209 17.116 1.00 0.00 N ATOM 889 CA PRO A 91 79.187 -7.178 17.119 1.00 0.00 C ATOM 890 C PRO A 91 78.108 -6.788 18.150 1.00 0.00 C ATOM 891 O PRO A 91 77.755 -7.567 19.020 1.00 0.00 O ATOM 892 CB PRO A 91 79.893 -8.471 17.512 1.00 0.00 C ATOM 893 CG PRO A 91 80.909 -8.009 18.500 1.00 0.00 C ATOM 894 CD PRO A 91 81.435 -6.704 17.964 1.00 0.00 C ATOM 0 HA PRO A 91 78.649 -7.232 16.172 1.00 0.00 H new ATOM 0 HB2 PRO A 91 79.202 -9.191 17.950 1.00 0.00 H new ATOM 0 HB3 PRO A 91 80.356 -8.956 16.653 1.00 0.00 H new ATOM 0 HG2 PRO A 91 80.464 -7.876 19.486 1.00 0.00 H new ATOM 0 HG3 PRO A 91 81.711 -8.740 18.608 1.00 0.00 H new ATOM 0 HD2 PRO A 91 81.670 -6.005 18.767 1.00 0.00 H new ATOM 0 HD3 PRO A 91 82.349 -6.846 17.387 1.00 0.00 H new ATOM 902 N LYS A 92 77.589 -5.585 18.050 1.00 0.00 N ATOM 903 CA LYS A 92 76.416 -5.175 18.885 1.00 0.00 C ATOM 904 C LYS A 92 75.664 -4.037 18.187 1.00 0.00 C ATOM 905 O LYS A 92 75.156 -3.130 18.824 1.00 0.00 O ATOM 906 CB LYS A 92 77.008 -4.711 20.218 1.00 0.00 C ATOM 907 CG LYS A 92 75.905 -4.668 21.277 1.00 0.00 C ATOM 908 CD LYS A 92 76.479 -4.133 22.590 1.00 0.00 C ATOM 909 CE LYS A 92 75.419 -4.231 23.688 1.00 0.00 C ATOM 910 NZ LYS A 92 76.172 -4.075 24.964 1.00 0.00 N ATOM 0 H LYS A 92 77.934 -4.863 17.417 1.00 0.00 H new ATOM 0 HA LYS A 92 75.703 -5.985 19.034 1.00 0.00 H new ATOM 0 HB2 LYS A 92 77.802 -5.389 20.531 1.00 0.00 H new ATOM 0 HB3 LYS A 92 77.457 -3.724 20.105 1.00 0.00 H new ATOM 0 HG2 LYS A 92 75.087 -4.032 20.940 1.00 0.00 H new ATOM 0 HG3 LYS A 92 75.492 -5.665 21.428 1.00 0.00 H new ATOM 0 HD2 LYS A 92 77.364 -4.704 22.872 1.00 0.00 H new ATOM 0 HD3 LYS A 92 76.795 -3.097 22.466 1.00 0.00 H new ATOM 0 HE2 LYS A 92 74.663 -3.453 23.578 1.00 0.00 H new ATOM 0 HE3 LYS A 92 74.899 -5.188 23.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 75.512 -4.131 25.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 76.880 -4.833 25.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 76.651 -3.152 24.974 1.00 0.00 H new ATOM 924 N ALA A 93 75.593 -4.096 16.879 1.00 0.00 N ATOM 925 CA ALA A 93 75.155 -2.908 16.077 1.00 0.00 C ATOM 926 C ALA A 93 73.625 -2.817 16.010 1.00 0.00 C ATOM 927 O ALA A 93 72.921 -3.526 16.706 1.00 0.00 O ATOM 928 CB ALA A 93 75.731 -3.134 14.674 1.00 0.00 C ATOM 0 H ALA A 93 75.822 -4.923 16.327 1.00 0.00 H new ATOM 0 HA ALA A 93 75.503 -1.977 16.525 1.00 0.00 H new ATOM 0 HB1 ALA A 93 75.451 -2.302 14.027 1.00 0.00 H new ATOM 0 HB2 ALA A 93 76.818 -3.198 14.733 1.00 0.00 H new ATOM 0 HB3 ALA A 93 75.334 -4.062 14.263 1.00 0.00 H new ATOM 934 N GLN A 94 73.122 -1.940 15.169 1.00 0.00 N ATOM 935 CA GLN A 94 71.643 -1.862 14.908 1.00 0.00 C ATOM 936 C GLN A 94 71.159 -3.153 14.234 1.00 0.00 C ATOM 937 O GLN A 94 71.881 -4.131 14.165 1.00 0.00 O ATOM 938 CB GLN A 94 71.304 -0.643 14.047 1.00 0.00 C ATOM 939 CG GLN A 94 69.975 0.010 14.393 1.00 0.00 C ATOM 940 CD GLN A 94 69.400 0.803 13.237 1.00 0.00 C ATOM 941 OE1 GLN A 94 69.983 0.855 12.153 1.00 0.00 O ATOM 942 NE2 GLN A 94 68.248 1.424 13.463 1.00 0.00 N ATOM 0 H GLN A 94 73.680 -1.266 14.645 1.00 0.00 H new ATOM 0 HA GLN A 94 71.128 -1.751 15.862 1.00 0.00 H new ATOM 0 HB2 GLN A 94 72.098 0.096 14.153 1.00 0.00 H new ATOM 0 HB3 GLN A 94 71.287 -0.945 13.000 1.00 0.00 H new ATOM 0 HG2 GLN A 94 69.263 -0.759 14.692 1.00 0.00 H new ATOM 0 HG3 GLN A 94 70.110 0.669 15.250 1.00 0.00 H new ATOM 0 HE21 GLN A 94 67.801 1.353 14.377 1.00 0.00 H new ATOM 0 HE22 GLN A 94 67.810 1.972 12.722 1.00 0.00 H new ATOM 951 N LEU A 95 69.940 -3.152 13.738 1.00 0.00 N ATOM 952 CA LEU A 95 69.320 -4.412 13.187 1.00 0.00 C ATOM 953 C LEU A 95 70.116 -4.886 11.961 1.00 0.00 C ATOM 954 O LEU A 95 70.897 -4.137 11.403 1.00 0.00 O ATOM 955 CB LEU A 95 67.887 -4.011 12.788 1.00 0.00 C ATOM 956 CG LEU A 95 66.923 -5.199 12.921 1.00 0.00 C ATOM 957 CD1 LEU A 95 66.793 -5.611 14.390 1.00 0.00 C ATOM 958 CD2 LEU A 95 65.547 -4.786 12.393 1.00 0.00 C ATOM 0 H LEU A 95 69.342 -2.327 13.690 1.00 0.00 H new ATOM 0 HA LEU A 95 69.321 -5.231 13.906 1.00 0.00 H new ATOM 0 HB2 LEU A 95 67.547 -3.190 13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 95 67.881 -3.647 11.761 1.00 0.00 H new ATOM 0 HG LEU A 95 67.310 -6.041 12.347 1.00 0.00 H new ATOM 0 HD11 LEU A 95 66.107 -6.454 14.472 1.00 0.00 H new ATOM 0 HD12 LEU A 95 67.771 -5.900 14.775 1.00 0.00 H new ATOM 0 HD13 LEU A 95 66.408 -4.772 14.970 1.00 0.00 H new ATOM 0 HD21 LEU A 95 64.856 -5.624 12.484 1.00 0.00 H new ATOM 0 HD22 LEU A 95 65.173 -3.943 12.973 1.00 0.00 H new ATOM 0 HD23 LEU A 95 65.631 -4.497 11.345 1.00 0.00 H new ATOM 970 N ARG A 96 69.915 -6.114 11.542 1.00 0.00 N ATOM 971 CA ARG A 96 70.914 -6.785 10.643 1.00 0.00 C ATOM 972 C ARG A 96 70.928 -6.116 9.267 1.00 0.00 C ATOM 973 O ARG A 96 69.888 -5.804 8.712 1.00 0.00 O ATOM 974 CB ARG A 96 70.451 -8.240 10.509 1.00 0.00 C ATOM 975 CG ARG A 96 70.559 -8.940 11.866 1.00 0.00 C ATOM 976 CD ARG A 96 70.209 -10.420 11.706 1.00 0.00 C ATOM 977 NE ARG A 96 70.131 -10.952 13.104 1.00 0.00 N ATOM 978 CZ ARG A 96 69.091 -10.727 13.890 1.00 0.00 C ATOM 979 NH1 ARG A 96 68.051 -10.019 13.504 1.00 0.00 N ATOM 980 NH2 ARG A 96 69.097 -11.226 15.096 1.00 0.00 N ATOM 0 H ARG A 96 69.103 -6.682 11.783 1.00 0.00 H new ATOM 0 HA ARG A 96 71.922 -6.716 11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 96 69.422 -8.273 10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 96 71.061 -8.760 9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 96 71.569 -8.835 12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 96 69.885 -8.472 12.583 1.00 0.00 H new ATOM 0 HD2 ARG A 96 69.262 -10.547 11.182 1.00 0.00 H new ATOM 0 HD3 ARG A 96 70.968 -10.945 11.126 1.00 0.00 H new ATOM 0 HE ARG A 96 70.908 -11.508 13.463 1.00 0.00 H new ATOM 0 HH11 ARG A 96 68.026 -9.619 12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 96 67.270 -9.870 14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 96 69.893 -11.777 15.416 1.00 0.00 H new ATOM 0 HH22 ARG A 96 68.305 -11.065 15.719 1.00 0.00 H new ATOM 994 N ARG A 97 72.105 -5.901 8.725 1.00 0.00 N ATOM 995 CA ARG A 97 72.233 -5.149 7.440 1.00 0.00 C ATOM 996 C ARG A 97 73.598 -5.424 6.793 1.00 0.00 C ATOM 997 O ARG A 97 74.497 -5.944 7.430 1.00 0.00 O ATOM 998 CB ARG A 97 72.071 -3.663 7.808 1.00 0.00 C ATOM 999 CG ARG A 97 73.162 -3.211 8.789 1.00 0.00 C ATOM 1000 CD ARG A 97 72.925 -1.748 9.174 1.00 0.00 C ATOM 1001 NE ARG A 97 74.229 -1.283 9.744 1.00 0.00 N ATOM 1002 CZ ARG A 97 74.613 -1.583 10.973 1.00 0.00 C ATOM 1003 NH1 ARG A 97 73.882 -2.316 11.785 1.00 0.00 N ATOM 1004 NH2 ARG A 97 75.763 -1.136 11.397 1.00 0.00 N ATOM 0 H ARG A 97 72.988 -6.218 9.124 1.00 0.00 H new ATOM 0 HA ARG A 97 71.482 -5.453 6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 97 72.116 -3.055 6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 97 71.089 -3.501 8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 97 73.149 -3.840 9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 97 74.146 -3.324 8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 97 72.638 -1.153 8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 97 72.120 -1.657 9.903 1.00 0.00 H new ATOM 0 HE ARG A 97 74.844 -0.714 9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 97 72.980 -2.677 11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 97 74.217 -2.523 12.726 1.00 0.00 H new ATOM 0 HH21 ARG A 97 76.346 -0.567 10.784 1.00 0.00 H new ATOM 0 HH22 ARG A 97 76.079 -1.356 12.342 1.00 0.00 H new ATOM 1018 N THR A 98 73.739 -5.078 5.536 1.00 0.00 N ATOM 1019 CA THR A 98 75.077 -5.128 4.868 1.00 0.00 C ATOM 1020 C THR A 98 75.401 -3.754 4.282 1.00 0.00 C ATOM 1021 O THR A 98 74.511 -3.034 3.865 1.00 0.00 O ATOM 1022 CB THR A 98 74.935 -6.169 3.756 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.328 -7.344 4.281 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.319 -6.515 3.202 1.00 0.00 C ATOM 0 H THR A 98 72.976 -4.760 4.939 1.00 0.00 H new ATOM 0 HA THR A 98 75.881 -5.389 5.556 1.00 0.00 H new ATOM 0 HB THR A 98 74.314 -5.765 2.957 1.00 0.00 H new ATOM 0 HG1 THR A 98 75.018 -8.016 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.219 -7.257 2.410 1.00 0.00 H new ATOM 0 HG22 THR A 98 76.785 -5.615 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 98 76.940 -6.920 4.001 1.00 0.00 H new ATOM 1032 N ILE A 99 76.663 -3.392 4.247 1.00 0.00 N ATOM 1033 CA ILE A 99 77.052 -2.019 3.796 1.00 0.00 C ATOM 1034 C ILE A 99 78.360 -2.073 2.993 1.00 0.00 C ATOM 1035 O ILE A 99 79.150 -2.989 3.147 1.00 0.00 O ATOM 1036 CB ILE A 99 77.190 -1.188 5.088 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.513 0.271 4.736 1.00 0.00 C ATOM 1038 CG2 ILE A 99 78.298 -1.752 5.993 1.00 0.00 C ATOM 1039 CD1 ILE A 99 77.304 1.157 5.965 1.00 0.00 C ATOM 0 H ILE A 99 77.443 -3.993 4.513 1.00 0.00 H new ATOM 0 HA ILE A 99 76.315 -1.571 3.129 1.00 0.00 H new ATOM 0 HB ILE A 99 76.243 -1.238 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.543 0.352 4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.874 0.608 3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 99 78.373 -1.147 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 99 78.058 -2.780 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 99 79.249 -1.729 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.534 2.192 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 99 76.267 1.086 6.293 1.00 0.00 H new ATOM 0 HD13 ILE A 99 77.962 0.826 6.769 1.00 0.00 H new ATOM 1051 N GLU A 100 78.578 -1.095 2.143 1.00 0.00 N ATOM 1052 CA GLU A 100 79.834 -1.046 1.332 1.00 0.00 C ATOM 1053 C GLU A 100 80.287 0.404 1.137 1.00 0.00 C ATOM 1054 O GLU A 100 79.472 1.312 1.097 1.00 0.00 O ATOM 1055 CB GLU A 100 79.468 -1.678 -0.013 1.00 0.00 C ATOM 1056 CG GLU A 100 79.176 -3.168 0.180 1.00 0.00 C ATOM 1057 CD GLU A 100 79.021 -3.839 -1.186 1.00 0.00 C ATOM 1058 OE1 GLU A 100 77.991 -3.640 -1.810 1.00 0.00 O ATOM 1059 OE2 GLU A 100 79.935 -4.540 -1.587 1.00 0.00 O ATOM 0 H GLU A 100 77.932 -0.323 1.977 1.00 0.00 H new ATOM 0 HA GLU A 100 80.655 -1.572 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.596 -1.178 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 100 80.285 -1.547 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 100 79.985 -3.639 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 100 78.266 -3.298 0.766 1.00 0.00 H new ATOM 1066 N CYS A 101 81.579 0.616 1.016 1.00 0.00 N ATOM 1067 CA CYS A 101 82.123 1.996 0.808 1.00 0.00 C ATOM 1068 C CYS A 101 83.322 1.953 -0.150 1.00 0.00 C ATOM 1069 O CYS A 101 84.122 1.036 -0.103 1.00 0.00 O ATOM 1070 CB CYS A 101 82.528 2.507 2.208 1.00 0.00 C ATOM 1071 SG CYS A 101 83.776 1.435 2.986 1.00 0.00 S ATOM 0 H CYS A 101 82.286 -0.118 1.053 1.00 0.00 H new ATOM 0 HA CYS A 101 81.390 2.663 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 101 82.921 3.520 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 101 81.645 2.558 2.845 1.00 0.00 H new ATOM 1076 N CYS A 102 83.443 2.940 -1.010 1.00 0.00 N ATOM 1077 CA CYS A 102 84.477 2.887 -2.100 1.00 0.00 C ATOM 1078 C CYS A 102 84.813 4.297 -2.601 1.00 0.00 C ATOM 1079 O CYS A 102 83.931 5.070 -2.926 1.00 0.00 O ATOM 1080 CB CYS A 102 83.887 2.015 -3.228 1.00 0.00 C ATOM 1081 SG CYS A 102 82.274 2.642 -3.793 1.00 0.00 S ATOM 0 H CYS A 102 82.869 3.783 -1.005 1.00 0.00 H new ATOM 0 HA CYS A 102 85.411 2.460 -1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.581 1.988 -4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.775 0.990 -2.874 1.00 0.00 H new ATOM 1086 N ARG A 103 86.087 4.624 -2.659 1.00 0.00 N ATOM 1087 CA ARG A 103 86.517 5.991 -3.091 1.00 0.00 C ATOM 1088 C ARG A 103 87.057 5.956 -4.530 1.00 0.00 C ATOM 1089 O ARG A 103 88.117 6.485 -4.823 1.00 0.00 O ATOM 1090 CB ARG A 103 87.617 6.386 -2.100 1.00 0.00 C ATOM 1091 CG ARG A 103 87.887 7.889 -2.210 1.00 0.00 C ATOM 1092 CD ARG A 103 88.987 8.287 -1.220 1.00 0.00 C ATOM 1093 NE ARG A 103 90.258 7.699 -1.763 1.00 0.00 N ATOM 1094 CZ ARG A 103 91.314 7.475 -0.999 1.00 0.00 C ATOM 1095 NH1 ARG A 103 91.337 7.761 0.285 1.00 0.00 N ATOM 1096 NH2 ARG A 103 92.381 6.954 -1.543 1.00 0.00 N ATOM 0 H ARG A 103 86.852 3.993 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 103 85.694 6.705 -3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.314 6.134 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.528 5.826 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 103 88.190 8.141 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 103 86.975 8.449 -2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 103 89.063 9.371 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 103 88.773 7.903 -0.223 1.00 0.00 H new ATOM 0 HE ARG A 103 90.308 7.465 -2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 103 90.517 8.173 0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 103 92.175 7.570 0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 103 92.388 6.729 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 103 93.207 6.773 -0.973 1.00 0.00 H new ATOM 1110 N THR A 104 86.322 5.335 -5.422 1.00 0.00 N ATOM 1111 CA THR A 104 86.699 5.334 -6.870 1.00 0.00 C ATOM 1112 C THR A 104 85.463 5.607 -7.727 1.00 0.00 C ATOM 1113 O THR A 104 84.355 5.275 -7.352 1.00 0.00 O ATOM 1114 CB THR A 104 87.263 3.935 -7.137 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.362 2.957 -6.641 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.615 3.787 -6.437 1.00 0.00 C ATOM 0 H THR A 104 85.467 4.823 -5.205 1.00 0.00 H new ATOM 0 HA THR A 104 87.428 6.107 -7.115 1.00 0.00 H new ATOM 0 HB THR A 104 87.393 3.796 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.723 2.062 -6.814 1.00 0.00 H new ATOM 0 HG21 THR A 104 89.016 2.791 -6.627 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.307 4.536 -6.821 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.486 3.927 -5.364 1.00 0.00 H new ATOM 1124 N ASN A 105 85.653 6.208 -8.877 1.00 0.00 N ATOM 1125 CA ASN A 105 84.504 6.854 -9.602 1.00 0.00 C ATOM 1126 C ASN A 105 83.434 5.829 -9.998 1.00 0.00 C ATOM 1127 O ASN A 105 83.730 4.783 -10.547 1.00 0.00 O ATOM 1128 CB ASN A 105 85.101 7.542 -10.845 1.00 0.00 C ATOM 1129 CG ASN A 105 85.824 6.524 -11.741 1.00 0.00 C ATOM 1130 OD1 ASN A 105 86.698 5.811 -11.290 1.00 0.00 O ATOM 1131 ND2 ASN A 105 85.490 6.430 -13.000 1.00 0.00 N ATOM 0 H ASN A 105 86.554 6.281 -9.349 1.00 0.00 H new ATOM 0 HA ASN A 105 84.002 7.575 -8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.308 8.032 -11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.799 8.320 -10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 105 85.963 5.758 -13.604 1.00 0.00 H new ATOM 0 HD22 ASN A 105 84.756 7.029 -13.379 1.00 0.00 H new ATOM 1138 N LEU A 106 82.183 6.140 -9.713 1.00 0.00 N ATOM 1139 CA LEU A 106 81.028 5.232 -10.047 1.00 0.00 C ATOM 1140 C LEU A 106 81.252 3.803 -9.527 1.00 0.00 C ATOM 1141 O LEU A 106 80.738 2.852 -10.091 1.00 0.00 O ATOM 1142 CB LEU A 106 80.914 5.233 -11.580 1.00 0.00 C ATOM 1143 CG LEU A 106 80.630 6.649 -12.095 1.00 0.00 C ATOM 1144 CD1 LEU A 106 80.738 6.666 -13.621 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.219 7.080 -11.682 1.00 0.00 C ATOM 0 H LEU A 106 81.909 7.007 -9.251 1.00 0.00 H new ATOM 0 HA LEU A 106 80.115 5.588 -9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 106 81.838 4.858 -12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 106 80.116 4.559 -11.892 1.00 0.00 H new ATOM 0 HG LEU A 106 81.357 7.339 -11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 106 80.536 7.672 -13.989 1.00 0.00 H new ATOM 0 HD12 LEU A 106 81.743 6.366 -13.918 1.00 0.00 H new ATOM 0 HD13 LEU A 106 80.012 5.972 -14.045 1.00 0.00 H new ATOM 0 HD21 LEU A 106 79.024 8.087 -12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 106 78.489 6.390 -12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 106 79.139 7.070 -10.595 1.00 0.00 H new ATOM 1157 N CYS A 107 82.014 3.652 -8.462 1.00 0.00 N ATOM 1158 CA CYS A 107 82.178 2.298 -7.824 1.00 0.00 C ATOM 1159 C CYS A 107 80.840 1.760 -7.287 1.00 0.00 C ATOM 1160 O CYS A 107 80.676 0.561 -7.136 1.00 0.00 O ATOM 1161 CB CYS A 107 83.204 2.461 -6.684 1.00 0.00 C ATOM 1162 SG CYS A 107 82.670 3.697 -5.463 1.00 0.00 S ATOM 0 H CYS A 107 82.529 4.407 -8.008 1.00 0.00 H new ATOM 0 HA CYS A 107 82.525 1.572 -8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 107 83.352 1.501 -6.188 1.00 0.00 H new ATOM 0 HB3 CYS A 107 84.167 2.756 -7.101 1.00 0.00 H new ATOM 1167 N ASN A 108 79.895 2.632 -7.007 1.00 0.00 N ATOM 1168 CA ASN A 108 78.548 2.173 -6.522 1.00 0.00 C ATOM 1169 C ASN A 108 77.714 1.598 -7.673 1.00 0.00 C ATOM 1170 O ASN A 108 76.891 0.725 -7.462 1.00 0.00 O ATOM 1171 CB ASN A 108 77.864 3.420 -5.945 1.00 0.00 C ATOM 1172 CG ASN A 108 78.249 3.591 -4.473 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.359 3.293 -4.081 1.00 0.00 O ATOM 1174 ND2 ASN A 108 77.368 4.066 -3.636 1.00 0.00 N ATOM 0 H ASN A 108 79.998 3.643 -7.093 1.00 0.00 H new ATOM 0 HA ASN A 108 78.648 1.382 -5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.159 4.303 -6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 108 76.782 3.328 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 108 77.612 4.187 -2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 108 76.435 4.317 -3.965 1.00 0.00 H new ATOM 1181 N GLN A 109 77.923 2.076 -8.882 1.00 0.00 N ATOM 1182 CA GLN A 109 76.989 1.737 -10.015 1.00 0.00 C ATOM 1183 C GLN A 109 76.988 0.227 -10.288 1.00 0.00 C ATOM 1184 O GLN A 109 75.953 -0.354 -10.561 1.00 0.00 O ATOM 1185 CB GLN A 109 77.522 2.493 -11.238 1.00 0.00 C ATOM 1186 CG GLN A 109 76.489 2.435 -12.366 1.00 0.00 C ATOM 1187 CD GLN A 109 77.029 3.175 -13.592 1.00 0.00 C ATOM 1188 OE1 GLN A 109 77.665 4.203 -13.467 1.00 0.00 O ATOM 1189 NE2 GLN A 109 76.798 2.692 -14.783 1.00 0.00 N ATOM 0 H GLN A 109 78.700 2.687 -9.135 1.00 0.00 H new ATOM 0 HA GLN A 109 75.963 2.019 -9.778 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.731 3.530 -10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.463 2.053 -11.569 1.00 0.00 H new ATOM 0 HG2 GLN A 109 76.271 1.398 -12.621 1.00 0.00 H new ATOM 0 HG3 GLN A 109 75.552 2.886 -12.039 1.00 0.00 H new ATOM 0 HE21 GLN A 109 76.264 1.829 -14.889 1.00 0.00 H new ATOM 0 HE22 GLN A 109 77.151 3.177 -15.608 1.00 0.00 H new ATOM 1198 N TYR A 110 78.142 -0.396 -10.213 1.00 0.00 N ATOM 1199 CA TYR A 110 78.236 -1.873 -10.443 1.00 0.00 C ATOM 1200 C TYR A 110 78.312 -2.651 -9.118 1.00 0.00 C ATOM 1201 O TYR A 110 78.683 -3.813 -9.111 1.00 0.00 O ATOM 1202 CB TYR A 110 79.527 -2.062 -11.239 1.00 0.00 C ATOM 1203 CG TYR A 110 79.504 -1.393 -12.594 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.591 -1.843 -13.597 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.397 -0.314 -12.872 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.569 -1.211 -14.878 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.376 0.319 -14.155 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.462 -0.130 -15.157 1.00 0.00 C ATOM 1209 OH TYR A 110 79.442 0.481 -16.395 1.00 0.00 O ATOM 0 H TYR A 110 79.029 0.060 -10.001 1.00 0.00 H new ATOM 0 HA TYR A 110 77.357 -2.250 -10.965 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.362 -1.666 -10.661 1.00 0.00 H new ATOM 0 HB3 TYR A 110 79.709 -3.128 -11.372 1.00 0.00 H new ATOM 0 HD1 TYR A 110 77.918 -2.661 -13.387 1.00 0.00 H new ATOM 0 HD2 TYR A 110 81.088 0.024 -12.114 1.00 0.00 H new ATOM 0 HE1 TYR A 110 77.878 -1.550 -15.636 1.00 0.00 H new ATOM 0 HE2 TYR A 110 81.051 1.136 -14.366 1.00 0.00 H new ATOM 0 HH TYR A 110 80.111 1.197 -16.417 1.00 0.00 H new ATOM 1219 N LEU A 111 77.967 -2.030 -8.005 1.00 0.00 N ATOM 1220 CA LEU A 111 78.100 -2.705 -6.676 1.00 0.00 C ATOM 1221 C LEU A 111 76.726 -2.847 -6.012 1.00 0.00 C ATOM 1222 O LEU A 111 76.143 -1.871 -5.573 1.00 0.00 O ATOM 1223 CB LEU A 111 79.000 -1.780 -5.854 1.00 0.00 C ATOM 1224 CG LEU A 111 79.397 -2.474 -4.549 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.567 -3.423 -4.812 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.817 -1.421 -3.520 1.00 0.00 C ATOM 0 H LEU A 111 77.598 -1.080 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 111 78.514 -3.710 -6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.891 -1.522 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.479 -0.848 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 111 78.548 -3.040 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.850 -3.918 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 111 80.270 -4.172 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.416 -2.857 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 111 80.100 -1.914 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.666 -0.855 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 111 78.984 -0.743 -3.333 1.00 0.00 H new ATOM 1238 N GLN A 112 76.216 -4.056 -5.940 1.00 0.00 N ATOM 1239 CA GLN A 112 74.935 -4.309 -5.208 1.00 0.00 C ATOM 1240 C GLN A 112 75.231 -4.850 -3.794 1.00 0.00 C ATOM 1241 O GLN A 112 75.863 -5.884 -3.681 1.00 0.00 O ATOM 1242 CB GLN A 112 74.214 -5.373 -6.040 1.00 0.00 C ATOM 1243 CG GLN A 112 72.713 -5.311 -5.755 1.00 0.00 C ATOM 1244 CD GLN A 112 72.117 -4.066 -6.416 1.00 0.00 C ATOM 1245 OE1 GLN A 112 71.821 -3.093 -5.751 1.00 0.00 O ATOM 1246 NE2 GLN A 112 71.929 -4.055 -7.707 1.00 0.00 N ATOM 0 H GLN A 112 76.638 -4.884 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 112 74.340 -3.404 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 112 74.401 -5.209 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 112 74.601 -6.363 -5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 112 72.223 -6.207 -6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.537 -5.284 -4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 112 72.177 -4.872 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 112 71.534 -3.230 -8.158 1.00 0.00 H new ATOM 1255 N PRO A 113 74.777 -4.157 -2.756 1.00 0.00 N ATOM 1256 CA PRO A 113 74.895 -4.711 -1.377 1.00 0.00 C ATOM 1257 C PRO A 113 73.924 -5.884 -1.194 1.00 0.00 C ATOM 1258 O PRO A 113 72.767 -5.797 -1.568 1.00 0.00 O ATOM 1259 CB PRO A 113 74.512 -3.539 -0.472 1.00 0.00 C ATOM 1260 CG PRO A 113 73.669 -2.649 -1.324 1.00 0.00 C ATOM 1261 CD PRO A 113 74.135 -2.826 -2.744 1.00 0.00 C ATOM 0 HA PRO A 113 75.890 -5.097 -1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 113 73.962 -3.881 0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 113 75.397 -3.015 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 113 72.615 -2.910 -1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 113 73.769 -1.609 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 113 73.301 -2.781 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.837 -2.044 -3.033 1.00 0.00 H new ATOM 1269 N THR A 114 74.394 -6.971 -0.625 1.00 0.00 N ATOM 1270 CA THR A 114 73.520 -8.165 -0.407 1.00 0.00 C ATOM 1271 C THR A 114 73.796 -8.784 0.966 1.00 0.00 C ATOM 1272 O THR A 114 74.915 -8.750 1.450 1.00 0.00 O ATOM 1273 CB THR A 114 73.893 -9.141 -1.524 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.301 -9.335 -1.529 1.00 0.00 O ATOM 1275 CG2 THR A 114 73.449 -8.574 -2.873 1.00 0.00 C ATOM 0 H THR A 114 75.355 -7.080 -0.300 1.00 0.00 H new ATOM 0 HA THR A 114 72.461 -7.909 -0.429 1.00 0.00 H new ATOM 0 HB THR A 114 73.394 -10.095 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 114 75.542 -9.961 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 114 73.716 -9.272 -3.667 1.00 0.00 H new ATOM 0 HG22 THR A 114 72.369 -8.426 -2.868 1.00 0.00 H new ATOM 0 HG23 THR A 114 73.945 -7.619 -3.047 1.00 0.00 H new ATOM 1283 N LEU A 115 72.782 -9.343 1.587 1.00 0.00 N ATOM 1284 CA LEU A 115 72.976 -10.041 2.903 1.00 0.00 C ATOM 1285 C LEU A 115 73.720 -11.371 2.689 1.00 0.00 C ATOM 1286 O LEU A 115 73.655 -11.922 1.605 1.00 0.00 O ATOM 1287 CB LEU A 115 71.569 -10.302 3.452 1.00 0.00 C ATOM 1288 CG LEU A 115 71.008 -9.012 4.054 1.00 0.00 C ATOM 1289 CD1 LEU A 115 69.488 -9.127 4.183 1.00 0.00 C ATOM 1290 CD2 LEU A 115 71.622 -8.786 5.436 1.00 0.00 C ATOM 0 H LEU A 115 71.824 -9.346 1.238 1.00 0.00 H new ATOM 0 HA LEU A 115 73.569 -9.442 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 115 70.916 -10.658 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.602 -11.085 4.210 1.00 0.00 H new ATOM 0 HG LEU A 115 71.254 -8.171 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 115 69.089 -8.208 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 115 69.050 -9.288 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 115 69.240 -9.967 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.223 -7.867 5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.377 -9.627 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 115 72.705 -8.703 5.344 1.00 0.00 H new ATOM 1302 N PRO A 116 74.409 -11.859 3.716 1.00 0.00 N ATOM 1303 CA PRO A 116 75.177 -13.134 3.582 1.00 0.00 C ATOM 1304 C PRO A 116 74.230 -14.314 3.270 1.00 0.00 C ATOM 1305 O PRO A 116 73.107 -14.316 3.737 1.00 0.00 O ATOM 1306 CB PRO A 116 75.850 -13.318 4.949 1.00 0.00 C ATOM 1307 CG PRO A 116 75.764 -11.988 5.624 1.00 0.00 C ATOM 1308 CD PRO A 116 74.551 -11.294 5.073 1.00 0.00 C ATOM 0 HA PRO A 116 75.899 -13.102 2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 116 75.345 -14.087 5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 116 76.887 -13.633 4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 116 75.682 -12.108 6.704 1.00 0.00 H new ATOM 0 HG3 PRO A 116 76.663 -11.401 5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 116 73.668 -11.488 5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 116 74.687 -10.213 5.044 1.00 0.00 H new ATOM 1316 N PRO A 117 74.702 -15.284 2.495 1.00 0.00 N ATOM 1317 CA PRO A 117 73.820 -16.408 2.071 1.00 0.00 C ATOM 1318 C PRO A 117 73.461 -17.289 3.274 1.00 0.00 C ATOM 1319 O PRO A 117 74.277 -17.508 4.152 1.00 0.00 O ATOM 1320 CB PRO A 117 74.666 -17.184 1.058 1.00 0.00 C ATOM 1321 CG PRO A 117 76.080 -16.827 1.374 1.00 0.00 C ATOM 1322 CD PRO A 117 76.067 -15.438 1.948 1.00 0.00 C ATOM 0 HA PRO A 117 72.875 -16.068 1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 117 74.501 -18.258 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 117 74.409 -16.907 0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 117 76.506 -17.534 2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 117 76.697 -16.867 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 117 76.823 -15.321 2.725 1.00 0.00 H new ATOM 0 HD3 PRO A 117 76.277 -14.689 1.184 1.00 0.00 H new ATOM 1330 N VAL A 118 72.244 -17.790 3.311 1.00 0.00 N ATOM 1331 CA VAL A 118 71.807 -18.697 4.423 1.00 0.00 C ATOM 1332 C VAL A 118 70.738 -19.655 3.878 1.00 0.00 C ATOM 1333 O VAL A 118 70.194 -19.434 2.809 1.00 0.00 O ATOM 1334 CB VAL A 118 71.214 -17.796 5.528 1.00 0.00 C ATOM 1335 CG1 VAL A 118 70.802 -18.645 6.737 1.00 0.00 C ATOM 1336 CG2 VAL A 118 72.241 -16.760 6.001 1.00 0.00 C ATOM 0 H VAL A 118 71.528 -17.605 2.608 1.00 0.00 H new ATOM 0 HA VAL A 118 72.632 -19.287 4.821 1.00 0.00 H new ATOM 0 HB VAL A 118 70.347 -17.286 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 118 70.385 -17.999 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 118 70.052 -19.375 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 118 71.675 -19.165 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 118 71.799 -16.138 6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 118 73.117 -17.272 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 118 72.539 -16.133 5.161 1.00 0.00 H new ATOM 1346 N VAL A 119 70.440 -20.708 4.607 1.00 0.00 N ATOM 1347 CA VAL A 119 69.420 -21.703 4.140 1.00 0.00 C ATOM 1348 C VAL A 119 68.023 -21.302 4.639 1.00 0.00 C ATOM 1349 O VAL A 119 67.875 -20.787 5.733 1.00 0.00 O ATOM 1350 CB VAL A 119 69.883 -23.063 4.709 1.00 0.00 C ATOM 1351 CG1 VAL A 119 69.897 -23.056 6.245 1.00 0.00 C ATOM 1352 CG2 VAL A 119 68.946 -24.173 4.218 1.00 0.00 C ATOM 0 H VAL A 119 70.863 -20.921 5.511 1.00 0.00 H new ATOM 0 HA VAL A 119 69.343 -21.751 3.054 1.00 0.00 H new ATOM 0 HB VAL A 119 70.899 -23.244 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 119 70.228 -24.028 6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 119 70.580 -22.284 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 119 68.893 -22.851 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 119 69.275 -25.131 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 119 67.930 -23.967 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 119 68.966 -24.211 3.129 1.00 0.00 H new ATOM 1362 N ILE A 120 67.009 -21.538 3.835 1.00 0.00 N ATOM 1363 CA ILE A 120 65.606 -21.200 4.242 1.00 0.00 C ATOM 1364 C ILE A 120 64.972 -22.418 4.929 1.00 0.00 C ATOM 1365 O ILE A 120 64.809 -23.461 4.320 1.00 0.00 O ATOM 1366 CB ILE A 120 64.864 -20.844 2.936 1.00 0.00 C ATOM 1367 CG1 ILE A 120 65.540 -19.651 2.248 1.00 0.00 C ATOM 1368 CG2 ILE A 120 63.406 -20.467 3.242 1.00 0.00 C ATOM 1369 CD1 ILE A 120 65.028 -19.527 0.812 1.00 0.00 C ATOM 0 H ILE A 120 67.096 -21.954 2.908 1.00 0.00 H new ATOM 0 HA ILE A 120 65.562 -20.370 4.947 1.00 0.00 H new ATOM 0 HB ILE A 120 64.894 -21.714 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 120 65.331 -18.734 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 120 66.622 -19.784 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 120 62.892 -20.218 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 120 62.905 -21.309 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 120 63.385 -19.606 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 120 65.510 -18.679 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 120 65.260 -20.440 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 120 63.949 -19.374 0.822 1.00 0.00 H new ATOM 1381 N GLY A 121 64.618 -22.282 6.188 1.00 0.00 N ATOM 1382 CA GLY A 121 63.961 -23.403 6.931 1.00 0.00 C ATOM 1383 C GLY A 121 64.967 -24.548 7.135 1.00 0.00 C ATOM 1384 O GLY A 121 66.090 -24.447 6.682 1.00 0.00 O ATOM 0 H GLY A 121 64.759 -21.433 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 121 63.597 -23.049 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 121 63.094 -23.762 6.376 1.00 0.00 H new ATOM 1388 N PRO A 122 64.546 -25.613 7.812 1.00 0.00 N ATOM 1389 CA PRO A 122 65.441 -26.798 8.028 1.00 0.00 C ATOM 1390 C PRO A 122 65.913 -27.394 6.693 1.00 0.00 C ATOM 1391 O PRO A 122 65.321 -27.145 5.657 1.00 0.00 O ATOM 1392 CB PRO A 122 64.535 -27.786 8.767 1.00 0.00 C ATOM 1393 CG PRO A 122 63.537 -26.914 9.445 1.00 0.00 C ATOM 1394 CD PRO A 122 63.230 -25.833 8.453 1.00 0.00 C ATOM 0 HA PRO A 122 66.350 -26.547 8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 122 64.056 -28.482 8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 122 65.097 -28.384 9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 122 62.640 -27.473 9.710 1.00 0.00 H new ATOM 0 HG3 PRO A 122 63.939 -26.499 10.369 1.00 0.00 H new ATOM 0 HD2 PRO A 122 62.473 -26.144 7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 122 62.857 -24.930 8.937 1.00 0.00 H new ATOM 1402 N PHE A 123 66.972 -28.173 6.725 1.00 0.00 N ATOM 1403 CA PHE A 123 67.509 -28.792 5.474 1.00 0.00 C ATOM 1404 C PHE A 123 68.289 -30.068 5.808 1.00 0.00 C ATOM 1405 O PHE A 123 68.679 -30.279 6.944 1.00 0.00 O ATOM 1406 CB PHE A 123 68.437 -27.736 4.873 1.00 0.00 C ATOM 1407 CG PHE A 123 68.984 -28.115 3.517 1.00 0.00 C ATOM 1408 CD1 PHE A 123 68.220 -27.848 2.339 1.00 0.00 C ATOM 1409 CD2 PHE A 123 70.263 -28.742 3.412 1.00 0.00 C ATOM 1410 CE1 PHE A 123 68.737 -28.206 1.055 1.00 0.00 C ATOM 1411 CE2 PHE A 123 70.781 -29.101 2.128 1.00 0.00 C ATOM 1412 CZ PHE A 123 70.017 -28.833 0.950 1.00 0.00 C ATOM 0 H PHE A 123 67.489 -28.406 7.573 1.00 0.00 H new ATOM 0 HA PHE A 123 66.717 -29.077 4.782 1.00 0.00 H new ATOM 0 HB2 PHE A 123 67.895 -26.794 4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 123 69.269 -27.564 5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 123 67.252 -27.376 2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 123 70.839 -28.945 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 123 68.160 -28.003 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 123 71.749 -29.574 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 123 70.407 -29.104 -0.020 1.00 0.00 H new ATOM 1422 N PHE A 124 68.511 -30.911 4.825 1.00 0.00 N ATOM 1423 CA PHE A 124 69.240 -32.196 5.062 1.00 0.00 C ATOM 1424 C PHE A 124 69.882 -32.680 3.760 1.00 0.00 C ATOM 1425 O PHE A 124 69.599 -32.160 2.695 1.00 0.00 O ATOM 1426 CB PHE A 124 68.178 -33.182 5.550 1.00 0.00 C ATOM 1427 CG PHE A 124 68.745 -34.514 5.983 1.00 0.00 C ATOM 1428 CD1 PHE A 124 69.253 -34.676 7.309 1.00 0.00 C ATOM 1429 CD2 PHE A 124 68.774 -35.609 5.066 1.00 0.00 C ATOM 1430 CE1 PHE A 124 69.789 -35.937 7.719 1.00 0.00 C ATOM 1431 CE2 PHE A 124 69.311 -36.870 5.477 1.00 0.00 C ATOM 1432 CZ PHE A 124 69.818 -37.033 6.803 1.00 0.00 C ATOM 0 H PHE A 124 68.215 -30.760 3.861 1.00 0.00 H new ATOM 0 HA PHE A 124 70.044 -32.088 5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 124 67.638 -32.737 6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 124 67.453 -33.347 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 124 69.232 -33.847 8.001 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.391 -35.485 4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 124 70.172 -36.061 8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 124 69.333 -37.699 4.785 1.00 0.00 H new ATOM 0 HZ PHE A 124 70.223 -37.985 7.113 1.00 0.00 H new ATOM 1442 N ASP A 125 70.742 -33.671 3.847 1.00 0.00 N ATOM 1443 CA ASP A 125 71.431 -34.204 2.628 1.00 0.00 C ATOM 1444 C ASP A 125 71.862 -35.656 2.857 1.00 0.00 C ATOM 1445 O ASP A 125 71.654 -36.506 2.009 1.00 0.00 O ATOM 1446 CB ASP A 125 72.652 -33.301 2.436 1.00 0.00 C ATOM 1447 CG ASP A 125 73.297 -33.598 1.081 1.00 0.00 C ATOM 1448 OD1 ASP A 125 74.164 -34.456 1.034 1.00 0.00 O ATOM 1449 OD2 ASP A 125 72.914 -32.961 0.113 1.00 0.00 O ATOM 0 H ASP A 125 70.997 -34.136 4.718 1.00 0.00 H new ATOM 0 HA ASP A 125 70.783 -34.202 1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 125 72.355 -32.254 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 125 73.371 -33.468 3.238 1.00 0.00 H new ATOM 1454 N GLY A 126 72.457 -35.935 3.995 1.00 0.00 N ATOM 1455 CA GLY A 126 72.894 -37.330 4.313 1.00 0.00 C ATOM 1456 C GLY A 126 74.333 -37.539 3.834 1.00 0.00 C ATOM 1457 O GLY A 126 74.683 -38.607 3.364 1.00 0.00 O ATOM 0 H GLY A 126 72.659 -35.248 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 126 72.828 -37.507 5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 126 72.231 -38.048 3.830 1.00 0.00 H new ATOM 1461 N SER A 127 75.159 -36.523 3.953 1.00 0.00 N ATOM 1462 CA SER A 127 76.589 -36.639 3.528 1.00 0.00 C ATOM 1463 C SER A 127 77.448 -35.626 4.289 1.00 0.00 C ATOM 1464 O SER A 127 77.459 -34.450 3.963 1.00 0.00 O ATOM 1465 CB SER A 127 76.588 -36.334 2.030 1.00 0.00 C ATOM 1466 OG SER A 127 77.896 -36.529 1.510 1.00 0.00 O ATOM 0 H SER A 127 74.899 -35.612 4.330 1.00 0.00 H new ATOM 0 HA SER A 127 77.004 -37.625 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 127 75.879 -36.983 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 127 76.264 -35.308 1.856 1.00 0.00 H new ATOM 0 HG SER A 127 77.898 -36.336 0.549 1.00 0.00 H new ATOM 1472 N ILE A 128 78.162 -36.080 5.295 1.00 0.00 N ATOM 1473 CA ILE A 128 79.035 -35.160 6.098 1.00 0.00 C ATOM 1474 C ILE A 128 80.441 -35.130 5.479 1.00 0.00 C ATOM 1475 O ILE A 128 80.963 -36.151 5.070 1.00 0.00 O ATOM 1476 CB ILE A 128 79.065 -35.749 7.525 1.00 0.00 C ATOM 1477 CG1 ILE A 128 77.643 -35.807 8.104 1.00 0.00 C ATOM 1478 CG2 ILE A 128 79.927 -34.871 8.443 1.00 0.00 C ATOM 1479 CD1 ILE A 128 77.633 -36.695 9.350 1.00 0.00 C ATOM 0 H ILE A 128 78.177 -37.054 5.596 1.00 0.00 H new ATOM 0 HA ILE A 128 78.664 -34.135 6.112 1.00 0.00 H new ATOM 0 HB ILE A 128 79.485 -36.753 7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 128 77.301 -34.803 8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 128 76.952 -36.201 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 128 79.940 -35.297 9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 128 80.944 -34.827 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 128 79.509 -33.865 8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 128 76.624 -36.735 9.760 1.00 0.00 H new ATOM 0 HD12 ILE A 128 77.957 -37.701 9.083 1.00 0.00 H new ATOM 0 HD13 ILE A 128 78.312 -36.282 10.096 1.00 0.00 H new ATOM 1491 N ARG A 129 81.044 -33.963 5.417 1.00 0.00 N ATOM 1492 CA ARG A 129 82.422 -33.840 4.842 1.00 0.00 C ATOM 1493 C ARG A 129 83.471 -34.028 5.940 1.00 0.00 C ATOM 1494 O ARG A 129 83.150 -33.769 7.089 1.00 0.00 O ATOM 1495 CB ARG A 129 82.498 -32.423 4.266 1.00 0.00 C ATOM 1496 CG ARG A 129 83.776 -32.275 3.436 1.00 0.00 C ATOM 1497 CD ARG A 129 83.903 -30.830 2.947 1.00 0.00 C ATOM 1498 NE ARG A 129 82.790 -30.656 1.962 1.00 0.00 N ATOM 1499 CZ ARG A 129 82.849 -31.141 0.732 1.00 0.00 C ATOM 1500 NH1 ARG A 129 83.888 -31.813 0.286 1.00 0.00 N ATOM 1501 NH2 ARG A 129 81.837 -30.946 -0.067 1.00 0.00 N ATOM 1502 OXT ARG A 129 84.577 -34.425 5.614 1.00 0.00 O ATOM 0 H ARG A 129 80.637 -33.086 5.743 1.00 0.00 H new ATOM 0 HA ARG A 129 82.616 -34.596 4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 129 81.624 -32.224 3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 129 82.489 -31.690 5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 129 84.645 -32.545 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 129 83.751 -32.957 2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 129 83.813 -30.124 3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 129 84.873 -30.654 2.482 1.00 0.00 H new ATOM 0 HE ARG A 129 81.955 -30.145 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 129 84.689 -31.977 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 129 83.893 -32.170 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 129 81.021 -30.428 0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 129 81.861 -31.311 -1.019 1.00 0.00 H new TER 1516 ARG A 129