USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Single : A 33 THR OG1 : rot 80:sc= 0.85 USER MOD Single : A 34 HIS : no HD1:sc= -0.032 X(o=-0.032,f=0.0033) USER MOD Single : A 41 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= -7.56! C(o=-7.6!,f=-13!) USER MOD Single : A 45 THR OG1 : rot 126:sc= -1.29 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -1.77! C(o=-3.8!,f=-1.8!) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc=-0.00481 (180deg=-0.49) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0556 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0778 F(o=-2!,f=-0.078) USER MOD Single : A 64 THR OG1 : rot 173:sc= -2.89! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0519 F(o=-0.82,f=-0.052) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 155:sc= -0.225 (180deg=-0.986) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0641) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 92:sc= 1.56 USER MOD Single : A 201 HEC O2A : rot 180:sc= 0 USER MOD Single : A 201 HEC O2D : rot 149:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -13.044 -7.790 -3.382 1.00 1.00 N ATOM 2 CA ALA A 25 -12.296 -7.790 -4.628 1.00 1.00 C ATOM 3 C ALA A 25 -10.942 -8.467 -4.404 1.00 1.00 C ATOM 4 O ALA A 25 -9.898 -7.890 -4.705 1.00 1.00 O ATOM 5 CB ALA A 25 -12.153 -6.355 -5.137 1.00 1.00 C ATOM 0 HA ALA A 25 -12.825 -8.356 -5.394 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -11.592 -6.355 -6.072 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.142 -5.929 -5.307 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.623 -5.757 -4.396 1.00 1.00 H new ATOM 11 N GLY A 26 -11.003 -9.681 -3.878 1.00 1.00 N ATOM 12 CA GLY A 26 -9.795 -10.443 -3.611 1.00 1.00 C ATOM 13 C GLY A 26 -8.797 -9.619 -2.794 1.00 1.00 C ATOM 14 O GLY A 26 -8.825 -9.644 -1.564 1.00 1.00 O ATOM 0 H GLY A 26 -11.871 -10.156 -3.629 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.048 -11.355 -3.070 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.337 -10.747 -4.552 1.00 1.00 H new ATOM 18 N GLY A 27 -7.939 -8.909 -3.510 1.00 1.00 N ATOM 19 CA GLY A 27 -6.934 -8.079 -2.868 1.00 1.00 C ATOM 20 C GLY A 27 -7.581 -7.078 -1.908 1.00 1.00 C ATOM 21 O GLY A 27 -6.978 -6.692 -0.908 1.00 1.00 O ATOM 0 H GLY A 27 -7.919 -8.891 -4.530 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.231 -8.709 -2.323 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.361 -7.544 -3.625 1.00 1.00 H new ATOM 25 N GLY A 28 -8.800 -6.686 -2.247 1.00 1.00 N ATOM 26 CA GLY A 28 -9.536 -5.738 -1.429 1.00 1.00 C ATOM 27 C GLY A 28 -9.864 -6.334 -0.058 1.00 1.00 C ATOM 28 O GLY A 28 -9.856 -5.627 0.948 1.00 1.00 O ATOM 0 H GLY A 28 -9.297 -7.008 -3.078 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.949 -4.829 -1.303 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.458 -5.454 -1.936 1.00 1.00 H new ATOM 32 N GLU A 29 -10.143 -7.629 -0.064 1.00 1.00 N ATOM 33 CA GLU A 29 -10.473 -8.329 1.166 1.00 1.00 C ATOM 34 C GLU A 29 -9.287 -8.291 2.132 1.00 1.00 C ATOM 35 O GLU A 29 -9.469 -8.350 3.347 1.00 1.00 O ATOM 36 CB GLU A 29 -10.901 -9.770 0.880 1.00 1.00 C ATOM 37 CG GLU A 29 -11.513 -10.417 2.123 1.00 1.00 C ATOM 38 CD GLU A 29 -12.871 -9.794 2.454 1.00 1.00 C ATOM 39 OE1 GLU A 29 -12.929 -8.768 3.147 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.889 -10.414 1.963 1.00 1.00 O ATOM 0 H GLU A 29 -10.147 -8.212 -0.901 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.316 -7.821 1.635 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.625 -9.783 0.065 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.039 -10.350 0.550 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.631 -11.488 1.959 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.838 -10.296 2.970 1.00 1.00 H new ATOM 48 N LEU A 30 -8.098 -8.194 1.556 1.00 1.00 N ATOM 49 CA LEU A 30 -6.883 -8.148 2.351 1.00 1.00 C ATOM 50 C LEU A 30 -6.578 -6.696 2.725 1.00 1.00 C ATOM 51 O LEU A 30 -6.246 -6.404 3.873 1.00 1.00 O ATOM 52 CB LEU A 30 -5.736 -8.847 1.618 1.00 1.00 C ATOM 53 CG LEU A 30 -6.047 -10.236 1.056 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.824 -10.831 0.355 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.589 -11.160 2.148 1.00 1.00 C ATOM 0 H LEU A 30 -7.950 -8.146 0.548 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.017 -8.697 3.283 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.414 -8.208 0.796 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.893 -8.934 2.303 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.829 -10.133 0.304 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.073 -11.818 -0.035 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.524 -10.181 -0.467 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.003 -10.918 1.067 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.802 -12.141 1.722 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.847 -11.262 2.940 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.505 -10.737 2.561 1.00 1.00 H new ATOM 67 N PHE A 31 -6.702 -5.824 1.735 1.00 1.00 N ATOM 68 CA PHE A 31 -6.444 -4.410 1.946 1.00 1.00 C ATOM 69 C PHE A 31 -7.496 -3.793 2.870 1.00 1.00 C ATOM 70 O PHE A 31 -7.235 -2.788 3.530 1.00 1.00 O ATOM 71 CB PHE A 31 -6.524 -3.731 0.577 1.00 1.00 C ATOM 72 CG PHE A 31 -6.475 -2.204 0.636 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.383 -1.540 0.171 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.523 -1.509 1.154 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.337 -0.122 0.226 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.477 -0.090 1.209 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.385 0.573 0.743 1.00 1.00 C ATOM 0 H PHE A 31 -6.978 -6.070 0.784 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.467 -4.275 2.410 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.701 -4.087 -0.042 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.448 -4.036 0.085 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.550 -2.092 -0.240 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.390 -2.036 1.524 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.469 0.405 -0.143 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.309 0.462 1.621 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.350 1.652 0.784 1.00 1.00 H new ATOM 87 N ALA A 32 -8.663 -4.420 2.888 1.00 1.00 N ATOM 88 CA ALA A 32 -9.756 -3.945 3.720 1.00 1.00 C ATOM 89 C ALA A 32 -9.701 -4.650 5.077 1.00 1.00 C ATOM 90 O ALA A 32 -10.724 -5.108 5.584 1.00 1.00 O ATOM 91 CB ALA A 32 -11.085 -4.174 2.997 1.00 1.00 C ATOM 0 H ALA A 32 -8.876 -5.253 2.340 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.664 -2.874 3.901 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.905 -3.818 3.621 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -11.084 -3.629 2.053 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.214 -5.239 2.801 1.00 1.00 H new ATOM 97 N THR A 33 -8.497 -4.714 5.626 1.00 1.00 N ATOM 98 CA THR A 33 -8.296 -5.356 6.915 1.00 1.00 C ATOM 99 C THR A 33 -6.872 -5.110 7.416 1.00 1.00 C ATOM 100 O THR A 33 -6.658 -4.889 8.607 1.00 1.00 O ATOM 101 CB THR A 33 -8.640 -6.839 6.764 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.042 -6.897 7.015 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.027 -7.698 7.871 1.00 1.00 C ATOM 0 H THR A 33 -7.651 -4.332 5.203 1.00 1.00 H new ATOM 0 HA THR A 33 -8.952 -4.932 7.675 1.00 1.00 H new ATOM 0 HB THR A 33 -8.292 -7.195 5.794 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.530 -6.628 6.209 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.302 -8.741 7.716 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.942 -7.601 7.847 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.400 -7.364 8.839 1.00 1.00 H new ATOM 111 N HIS A 34 -5.933 -5.158 6.481 1.00 1.00 N ATOM 112 CA HIS A 34 -4.535 -4.944 6.813 1.00 1.00 C ATOM 113 C HIS A 34 -4.106 -3.550 6.351 1.00 1.00 C ATOM 114 O HIS A 34 -2.940 -3.181 6.482 1.00 1.00 O ATOM 115 CB HIS A 34 -3.662 -6.057 6.230 1.00 1.00 C ATOM 116 CG HIS A 34 -4.102 -7.449 6.616 1.00 1.00 C ATOM 117 ND1 HIS A 34 -3.765 -8.033 7.825 1.00 1.00 N ATOM 118 CD2 HIS A 34 -4.856 -8.364 5.943 1.00 1.00 C ATOM 119 CE1 HIS A 34 -4.296 -9.246 7.865 1.00 1.00 C ATOM 120 NE2 HIS A 34 -4.971 -9.450 6.698 1.00 1.00 N ATOM 0 H HIS A 34 -6.114 -5.342 5.494 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.403 -4.987 7.894 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.664 -5.975 5.143 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.634 -5.908 6.559 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.287 -8.228 4.962 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -4.209 -9.950 8.679 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.480 -10.297 6.447 1.00 1.00 H new ATOM 128 N CYS A 35 -5.071 -2.814 5.820 1.00 1.00 N ATOM 129 CA CYS A 35 -4.808 -1.469 5.338 1.00 1.00 C ATOM 130 C CYS A 35 -6.000 -0.584 5.706 1.00 1.00 C ATOM 131 O CYS A 35 -5.825 0.513 6.234 1.00 1.00 O ATOM 132 CB CYS A 35 -4.527 -1.452 3.834 1.00 1.00 C ATOM 133 SG CYS A 35 -3.533 -2.861 3.223 1.00 1.00 S ATOM 0 H CYS A 35 -6.037 -3.124 5.713 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.908 -1.080 5.814 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.478 -1.438 3.301 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -4.009 -0.526 3.586 1.00 1.00 H new ATOM 138 N ALA A 36 -7.188 -1.095 5.414 1.00 1.00 N ATOM 139 CA ALA A 36 -8.409 -0.365 5.708 1.00 1.00 C ATOM 140 C ALA A 36 -8.256 0.359 7.047 1.00 1.00 C ATOM 141 O ALA A 36 -8.751 1.472 7.215 1.00 1.00 O ATOM 142 CB ALA A 36 -9.596 -1.331 5.700 1.00 1.00 C ATOM 0 H ALA A 36 -7.330 -2.006 4.977 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.598 0.390 4.945 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.512 -0.783 5.921 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.679 -1.797 4.718 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.443 -2.102 6.456 1.00 1.00 H new ATOM 148 N GLY A 37 -7.568 -0.303 7.966 1.00 1.00 N ATOM 149 CA GLY A 37 -7.344 0.264 9.285 1.00 1.00 C ATOM 150 C GLY A 37 -6.182 1.260 9.264 1.00 1.00 C ATOM 151 O GLY A 37 -5.295 1.203 10.113 1.00 1.00 O ATOM 0 H GLY A 37 -7.159 -1.226 7.823 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.250 0.764 9.628 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -7.131 -0.534 9.996 1.00 1.00 H new ATOM 155 N CYS A 38 -6.226 2.149 8.283 1.00 1.00 N ATOM 156 CA CYS A 38 -5.189 3.157 8.139 1.00 1.00 C ATOM 157 C CYS A 38 -5.357 3.828 6.775 1.00 1.00 C ATOM 158 O CYS A 38 -5.050 5.009 6.618 1.00 1.00 O ATOM 159 CB CYS A 38 -3.792 2.559 8.313 1.00 1.00 C ATOM 160 SG CYS A 38 -3.079 3.086 9.914 1.00 1.00 S ATOM 0 H CYS A 38 -6.964 2.192 7.580 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.293 3.905 8.925 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.845 1.471 8.270 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.146 2.879 7.495 1.00 1.00 H new ATOM 165 N HIS A 39 -5.843 3.046 5.822 1.00 1.00 N ATOM 166 CA HIS A 39 -6.055 3.550 4.476 1.00 1.00 C ATOM 167 C HIS A 39 -7.546 3.494 4.136 1.00 1.00 C ATOM 168 O HIS A 39 -7.978 2.819 3.205 1.00 1.00 O ATOM 169 CB HIS A 39 -5.188 2.791 3.469 1.00 1.00 C ATOM 170 CG HIS A 39 -3.725 3.161 3.517 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.256 4.413 3.160 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.633 2.431 3.884 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.939 4.424 3.309 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.555 3.195 3.757 1.00 1.00 N ATOM 0 H HIS A 39 -6.096 2.067 5.956 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.744 4.593 4.421 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.288 1.721 3.653 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.567 2.979 2.464 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.827 5.194 2.837 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.644 1.405 4.221 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.285 5.260 3.110 1.00 1.00 H new ATOM 182 N PRO A 40 -8.332 4.231 4.924 1.00 1.00 N ATOM 183 CA PRO A 40 -9.769 4.327 4.782 1.00 1.00 C ATOM 184 C PRO A 40 -10.107 5.178 3.566 1.00 1.00 C ATOM 185 O PRO A 40 -9.795 6.367 3.569 1.00 1.00 O ATOM 186 CB PRO A 40 -10.245 4.998 6.069 1.00 1.00 C ATOM 187 CG PRO A 40 -9.017 5.974 6.358 1.00 1.00 C ATOM 188 CD PRO A 40 -7.857 5.037 6.027 1.00 1.00 C ATOM 0 HA PRO A 40 -10.246 3.358 4.635 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.182 5.539 5.933 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.405 4.282 6.875 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.031 6.861 5.725 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.993 6.320 7.391 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.963 5.597 5.751 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.593 4.417 6.884 1.00 1.00 H new ATOM 196 N GLN A 41 -10.724 4.566 2.566 1.00 1.00 N ATOM 197 CA GLN A 41 -11.090 5.287 1.359 1.00 1.00 C ATOM 198 C GLN A 41 -9.862 5.976 0.760 1.00 1.00 C ATOM 199 O GLN A 41 -9.847 7.195 0.597 1.00 1.00 O ATOM 200 CB GLN A 41 -12.203 6.298 1.640 1.00 1.00 C ATOM 201 CG GLN A 41 -13.573 5.616 1.651 1.00 1.00 C ATOM 202 CD GLN A 41 -14.434 6.097 0.481 1.00 1.00 C ATOM 203 OE1 GLN A 41 -14.268 7.189 -0.038 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.360 5.224 0.097 1.00 1.00 N ATOM 0 H GLN A 41 -10.980 3.579 2.567 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.471 4.570 0.632 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.026 6.782 2.601 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -12.188 7.081 0.881 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.446 4.535 1.593 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -14.081 5.827 2.592 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.445 4.327 0.575 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -15.986 5.451 -0.676 1.00 1.00 H new ATOM 213 N GLY A 42 -8.861 5.165 0.449 1.00 1.00 N ATOM 214 CA GLY A 42 -7.632 5.681 -0.128 1.00 1.00 C ATOM 215 C GLY A 42 -7.180 6.953 0.592 1.00 1.00 C ATOM 216 O GLY A 42 -6.550 7.822 -0.010 1.00 1.00 O ATOM 0 H GLY A 42 -8.877 4.154 0.586 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.850 4.925 -0.063 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.784 5.892 -1.186 1.00 1.00 H new ATOM 220 N GLY A 43 -7.518 7.023 1.871 1.00 1.00 N ATOM 221 CA GLY A 43 -7.155 8.174 2.680 1.00 1.00 C ATOM 222 C GLY A 43 -5.996 7.839 3.622 1.00 1.00 C ATOM 223 O GLY A 43 -5.146 7.013 3.296 1.00 1.00 O ATOM 0 H GLY A 43 -8.040 6.301 2.367 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.873 9.004 2.032 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.017 8.501 3.261 1.00 1.00 H new ATOM 227 N ASN A 44 -6.001 8.498 4.771 1.00 1.00 N ATOM 228 CA ASN A 44 -4.961 8.281 5.763 1.00 1.00 C ATOM 229 C ASN A 44 -5.476 8.710 7.138 1.00 1.00 C ATOM 230 O ASN A 44 -6.202 9.696 7.253 1.00 1.00 O ATOM 231 CB ASN A 44 -3.715 9.109 5.445 1.00 1.00 C ATOM 232 CG ASN A 44 -3.062 8.640 4.143 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.585 8.821 3.056 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.893 8.030 4.313 1.00 1.00 N ATOM 0 H ASN A 44 -6.709 9.183 5.038 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.702 7.222 5.754 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.985 10.162 5.362 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.001 9.027 6.264 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.378 7.681 3.505 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.511 7.911 5.251 1.00 1.00 H new ATOM 241 N THR A 45 -5.080 7.948 8.147 1.00 1.00 N ATOM 242 CA THR A 45 -5.493 8.237 9.510 1.00 1.00 C ATOM 243 C THR A 45 -4.300 8.719 10.337 1.00 1.00 C ATOM 244 O THR A 45 -4.451 9.066 11.507 1.00 1.00 O ATOM 245 CB THR A 45 -6.159 6.982 10.078 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.266 5.927 9.731 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.457 6.627 9.350 1.00 1.00 C ATOM 0 H THR A 45 -4.478 7.131 8.048 1.00 1.00 H new ATOM 0 HA THR A 45 -6.219 9.050 9.540 1.00 1.00 H new ATOM 0 HB THR A 45 -6.366 7.130 11.138 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.027 5.423 10.537 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.888 5.729 9.792 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.163 7.452 9.442 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.245 6.446 8.296 1.00 1.00 H new ATOM 255 N VAL A 46 -3.140 8.726 9.696 1.00 1.00 N ATOM 256 CA VAL A 46 -1.922 9.161 10.358 1.00 1.00 C ATOM 257 C VAL A 46 -1.419 10.447 9.699 1.00 1.00 C ATOM 258 O VAL A 46 -1.264 11.470 10.365 1.00 1.00 O ATOM 259 CB VAL A 46 -0.886 8.035 10.338 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.439 8.498 10.948 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.414 6.791 11.055 1.00 1.00 C ATOM 0 H VAL A 46 -3.018 8.437 8.725 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.117 9.388 11.406 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.701 7.769 9.297 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.158 7.679 10.921 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.828 9.341 10.376 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.276 8.805 11.981 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.658 6.006 11.026 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.641 7.038 12.092 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.319 6.441 10.558 1.00 1.00 H new ATOM 271 N HIS A 47 -1.180 10.354 8.399 1.00 1.00 N ATOM 272 CA HIS A 47 -0.698 11.497 7.643 1.00 1.00 C ATOM 273 C HIS A 47 -1.744 11.902 6.602 1.00 1.00 C ATOM 274 O HIS A 47 -2.066 11.159 5.678 1.00 1.00 O ATOM 275 CB HIS A 47 0.670 11.203 7.025 1.00 1.00 C ATOM 276 CG HIS A 47 1.784 11.064 8.036 1.00 1.00 C ATOM 277 ND1 HIS A 47 1.770 11.161 9.396 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.093 10.794 7.677 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.003 10.960 9.844 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 3.825 10.733 8.779 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.311 9.504 7.850 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.554 12.345 8.312 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.604 10.284 6.443 1.00 1.00 H new ATOM 0 HB3 HIS A 47 0.922 12.003 6.329 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.456 10.656 6.669 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.306 10.974 10.881 1.00 1.00 H new ATOM 0 HE2 HIS A 47 4.827 10.549 8.824 1.00 1.00 H new ATOM 288 N PRO A 48 -2.274 13.115 6.777 1.00 1.00 N ATOM 289 CA PRO A 48 -3.277 13.699 5.913 1.00 1.00 C ATOM 290 C PRO A 48 -2.598 14.424 4.760 1.00 1.00 C ATOM 291 O PRO A 48 -3.259 15.203 4.076 1.00 1.00 O ATOM 292 CB PRO A 48 -4.038 14.679 6.803 1.00 1.00 C ATOM 293 CG PRO A 48 -2.865 15.202 7.703 1.00 1.00 C ATOM 294 CD PRO A 48 -1.918 14.014 7.853 1.00 1.00 C ATOM 0 HA PRO A 48 -3.943 12.956 5.474 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.512 15.477 6.232 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.822 14.192 7.383 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.362 16.051 7.241 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -3.232 15.538 8.673 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.877 14.327 7.778 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -2.037 13.534 8.824 1.00 1.00 H new ATOM 302 N GLU A 49 -1.313 14.161 4.568 1.00 1.00 N ATOM 303 CA GLU A 49 -0.571 14.802 3.495 1.00 1.00 C ATOM 304 C GLU A 49 0.043 13.748 2.572 1.00 1.00 C ATOM 305 O GLU A 49 0.665 14.085 1.566 1.00 1.00 O ATOM 306 CB GLU A 49 0.505 15.735 4.054 1.00 1.00 C ATOM 307 CG GLU A 49 -0.055 16.605 5.181 1.00 1.00 C ATOM 308 CD GLU A 49 -0.353 18.021 4.683 1.00 1.00 C ATOM 309 OE1 GLU A 49 -1.371 18.241 4.011 1.00 1.00 O ATOM 310 OE2 GLU A 49 0.519 18.912 5.018 1.00 1.00 O ATOM 0 H GLU A 49 -0.767 13.513 5.137 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.264 15.409 2.912 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.344 15.147 4.426 1.00 1.00 H new ATOM 0 HB3 GLU A 49 0.890 16.370 3.257 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -0.966 16.155 5.575 1.00 1.00 H new ATOM 0 HG3 GLU A 49 0.660 16.647 6.002 1.00 1.00 H new ATOM 318 N LYS A 50 -0.153 12.492 2.947 1.00 1.00 N ATOM 319 CA LYS A 50 0.374 11.387 2.165 1.00 1.00 C ATOM 320 C LYS A 50 -0.767 10.434 1.803 1.00 1.00 C ATOM 321 O LYS A 50 -1.037 9.479 2.530 1.00 1.00 O ATOM 322 CB LYS A 50 1.529 10.709 2.905 1.00 1.00 C ATOM 323 CG LYS A 50 2.504 11.746 3.466 1.00 1.00 C ATOM 324 CD LYS A 50 3.526 12.167 2.408 1.00 1.00 C ATOM 325 CE LYS A 50 3.821 13.666 2.497 1.00 1.00 C ATOM 326 NZ LYS A 50 5.055 13.996 1.749 1.00 1.00 N ATOM 0 H LYS A 50 -0.669 12.216 3.782 1.00 1.00 H new ATOM 0 HA LYS A 50 0.796 11.751 1.228 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.136 10.097 3.717 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.056 10.038 2.227 1.00 1.00 H new ATOM 0 HG2 LYS A 50 1.952 12.620 3.811 1.00 1.00 H new ATOM 0 HG3 LYS A 50 3.021 11.333 4.332 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.449 11.602 2.543 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.147 11.926 1.415 1.00 1.00 H new ATOM 0 HE2 LYS A 50 2.982 14.233 2.094 1.00 1.00 H new ATOM 0 HE3 LYS A 50 3.932 13.960 3.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 5.074 15.015 1.542 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 5.886 13.743 2.321 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 5.074 13.462 0.857 1.00 1.00 H new ATOM 339 N THR A 51 -1.407 10.727 0.681 1.00 1.00 N ATOM 340 CA THR A 51 -2.513 9.909 0.214 1.00 1.00 C ATOM 341 C THR A 51 -2.037 8.935 -0.865 1.00 1.00 C ATOM 342 O THR A 51 -0.856 8.910 -1.208 1.00 1.00 O ATOM 343 CB THR A 51 -3.627 10.845 -0.261 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.105 11.429 -1.451 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.832 12.034 0.680 1.00 1.00 C ATOM 0 H THR A 51 -1.181 11.520 0.081 1.00 1.00 H new ATOM 0 HA THR A 51 -2.911 9.288 1.016 1.00 1.00 H new ATOM 0 HB THR A 51 -4.559 10.286 -0.348 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.764 12.049 -1.827 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.633 12.667 0.298 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.099 11.671 1.672 1.00 1.00 H new ATOM 0 HG23 THR A 51 -2.910 12.613 0.741 1.00 1.00 H new ATOM 353 N LEU A 52 -2.981 8.155 -1.372 1.00 1.00 N ATOM 354 CA LEU A 52 -2.673 7.181 -2.405 1.00 1.00 C ATOM 355 C LEU A 52 -2.829 7.836 -3.779 1.00 1.00 C ATOM 356 O LEU A 52 -2.915 7.145 -4.793 1.00 1.00 O ATOM 357 CB LEU A 52 -3.522 5.921 -2.224 1.00 1.00 C ATOM 358 CG LEU A 52 -3.299 5.142 -0.926 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.197 3.905 -0.868 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.821 4.788 -0.747 1.00 1.00 C ATOM 0 H LEU A 52 -3.960 8.178 -1.086 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.637 6.853 -2.323 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.573 6.204 -2.278 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.328 5.253 -3.063 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.580 5.782 -0.090 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.019 3.369 0.064 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.242 4.211 -0.916 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -3.971 3.252 -1.711 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.689 4.235 0.183 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.490 4.174 -1.585 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.229 5.703 -0.712 1.00 1.00 H new ATOM 372 N ALA A 53 -2.861 9.160 -3.768 1.00 1.00 N ATOM 373 CA ALA A 53 -3.005 9.916 -5.001 1.00 1.00 C ATOM 374 C ALA A 53 -1.700 9.841 -5.795 1.00 1.00 C ATOM 375 O ALA A 53 -0.626 10.107 -5.258 1.00 1.00 O ATOM 376 CB ALA A 53 -3.407 11.355 -4.674 1.00 1.00 C ATOM 0 H ALA A 53 -2.790 9.729 -2.925 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.794 9.491 -5.622 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.515 11.922 -5.599 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.355 11.355 -4.136 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.638 11.816 -4.054 1.00 1.00 H new ATOM 382 N ARG A 54 -1.835 9.478 -7.062 1.00 1.00 N ATOM 383 CA ARG A 54 -0.680 9.365 -7.936 1.00 1.00 C ATOM 384 C ARG A 54 0.145 10.653 -7.894 1.00 1.00 C ATOM 385 O ARG A 54 1.372 10.607 -7.809 1.00 1.00 O ATOM 386 CB ARG A 54 -1.105 9.087 -9.379 1.00 1.00 C ATOM 387 CG ARG A 54 0.114 8.908 -10.285 1.00 1.00 C ATOM 388 CD ARG A 54 -0.250 9.156 -11.750 1.00 1.00 C ATOM 389 NE ARG A 54 0.023 10.566 -12.108 1.00 1.00 N ATOM 390 CZ ARG A 54 -0.022 11.049 -13.368 1.00 1.00 C ATOM 391 NH1 ARG A 54 0.240 12.326 -13.573 1.00 1.00 N ATOM 392 NH2 ARG A 54 -0.332 10.239 -14.402 1.00 1.00 N ATOM 0 H ARG A 54 -2.727 9.258 -7.504 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.076 8.530 -7.580 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.723 8.190 -9.413 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.718 9.910 -9.746 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.902 9.597 -9.981 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.511 7.899 -10.171 1.00 1.00 H new ATOM 0 HD2 ARG A 54 0.325 8.491 -12.394 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -1.303 8.928 -11.915 1.00 1.00 H new ATOM 0 HE ARG A 54 0.260 11.213 -11.356 1.00 1.00 H new ATOM 0 HH11 ARG A 54 0.472 12.932 -12.786 1.00 1.00 H new ATOM 0 HH12 ARG A 54 0.210 12.707 -14.519 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -0.535 9.253 -14.235 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -0.364 10.612 -15.351 1.00 1.00 H new ATOM 402 N ALA A 55 -0.561 11.773 -7.955 1.00 1.00 N ATOM 403 CA ALA A 55 0.091 13.071 -7.925 1.00 1.00 C ATOM 404 C ALA A 55 1.221 13.046 -6.894 1.00 1.00 C ATOM 405 O ALA A 55 2.284 13.622 -7.119 1.00 1.00 O ATOM 406 CB ALA A 55 -0.946 14.156 -7.628 1.00 1.00 C ATOM 0 H ALA A 55 -1.578 11.808 -8.025 1.00 1.00 H new ATOM 0 HA ALA A 55 0.535 13.300 -8.894 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.457 15.130 -7.605 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.710 14.151 -8.405 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.410 13.961 -6.661 1.00 1.00 H new ATOM 412 N ARG A 56 0.952 12.373 -5.785 1.00 1.00 N ATOM 413 CA ARG A 56 1.933 12.265 -4.718 1.00 1.00 C ATOM 414 C ARG A 56 2.829 11.046 -4.942 1.00 1.00 C ATOM 415 O ARG A 56 4.053 11.149 -4.871 1.00 1.00 O ATOM 416 CB ARG A 56 1.251 12.144 -3.353 1.00 1.00 C ATOM 417 CG ARG A 56 1.679 13.282 -2.424 1.00 1.00 C ATOM 418 CD ARG A 56 3.176 13.203 -2.115 1.00 1.00 C ATOM 419 NE ARG A 56 3.620 14.446 -1.446 1.00 1.00 N ATOM 420 CZ ARG A 56 3.687 15.650 -2.052 1.00 1.00 C ATOM 421 NH1 ARG A 56 4.098 16.695 -1.358 1.00 1.00 N ATOM 422 NH2 ARG A 56 3.337 15.784 -3.349 1.00 1.00 N ATOM 0 H ARG A 56 0.069 11.897 -5.602 1.00 1.00 H new ATOM 0 HA ARG A 56 2.538 13.172 -4.731 1.00 1.00 H new ATOM 0 HB2 ARG A 56 0.169 12.161 -3.480 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.503 11.185 -2.900 1.00 1.00 H new ATOM 0 HG2 ARG A 56 1.450 14.241 -2.888 1.00 1.00 H new ATOM 0 HG3 ARG A 56 1.109 13.233 -1.496 1.00 1.00 H new ATOM 0 HD2 ARG A 56 3.379 12.344 -1.476 1.00 1.00 H new ATOM 0 HD3 ARG A 56 3.739 13.055 -3.037 1.00 1.00 H new ATOM 0 HE ARG A 56 3.893 14.389 -0.465 1.00 1.00 H new ATOM 0 HH11 ARG A 56 4.359 16.586 -0.378 1.00 1.00 H new ATOM 0 HH12 ARG A 56 4.154 17.612 -1.802 1.00 1.00 H new ATOM 0 HH21 ARG A 56 3.019 14.972 -3.878 1.00 1.00 H new ATOM 0 HH22 ARG A 56 3.390 16.697 -3.800 1.00 1.00 H new ATOM 432 N ARG A 57 2.186 9.919 -5.210 1.00 1.00 N ATOM 433 CA ARG A 57 2.910 8.682 -5.445 1.00 1.00 C ATOM 434 C ARG A 57 3.926 8.868 -6.574 1.00 1.00 C ATOM 435 O ARG A 57 4.856 8.075 -6.713 1.00 1.00 O ATOM 436 CB ARG A 57 1.953 7.545 -5.811 1.00 1.00 C ATOM 437 CG ARG A 57 1.926 6.477 -4.715 1.00 1.00 C ATOM 438 CD ARG A 57 0.601 6.511 -3.951 1.00 1.00 C ATOM 439 NE ARG A 57 -0.521 6.209 -4.868 1.00 1.00 N ATOM 440 CZ ARG A 57 -0.781 4.982 -5.367 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.811 4.827 -6.178 1.00 1.00 N ATOM 442 NH2 ARG A 57 -0.002 3.930 -5.040 1.00 1.00 N ATOM 0 H ARG A 57 1.171 9.837 -5.270 1.00 1.00 H new ATOM 0 HA ARG A 57 3.430 8.421 -4.523 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.949 7.943 -5.960 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.261 7.095 -6.755 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.069 5.492 -5.158 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.753 6.639 -4.024 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.622 5.785 -3.138 1.00 1.00 H new ATOM 0 HD3 ARG A 57 0.458 7.492 -3.499 1.00 1.00 H new ATOM 0 HE ARG A 57 -1.136 6.976 -5.140 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -2.396 5.627 -6.418 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -2.022 3.907 -6.564 1.00 1.00 H new ATOM 0 HH21 ARG A 57 0.791 4.058 -4.411 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -0.206 3.006 -5.422 1.00 1.00 H new ATOM 452 N GLU A 58 3.713 9.919 -7.351 1.00 1.00 N ATOM 453 CA GLU A 58 4.598 10.219 -8.464 1.00 1.00 C ATOM 454 C GLU A 58 5.882 10.880 -7.957 1.00 1.00 C ATOM 455 O GLU A 58 6.981 10.496 -8.354 1.00 1.00 O ATOM 456 CB GLU A 58 3.898 11.102 -9.499 1.00 1.00 C ATOM 457 CG GLU A 58 4.271 12.573 -9.306 1.00 1.00 C ATOM 458 CD GLU A 58 3.598 13.452 -10.363 1.00 1.00 C ATOM 459 OE1 GLU A 58 2.391 13.720 -10.269 1.00 1.00 O ATOM 460 OE2 GLU A 58 4.376 13.862 -11.307 1.00 1.00 O ATOM 0 H GLU A 58 2.940 10.574 -7.232 1.00 1.00 H new ATOM 0 HA GLU A 58 4.864 9.283 -8.955 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.176 10.781 -10.503 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.818 10.983 -9.413 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.971 12.901 -8.311 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.353 12.689 -9.367 1.00 1.00 H new ATOM 468 N ALA A 59 5.700 11.863 -7.088 1.00 1.00 N ATOM 469 CA ALA A 59 6.829 12.581 -6.523 1.00 1.00 C ATOM 470 C ALA A 59 7.854 11.576 -5.992 1.00 1.00 C ATOM 471 O ALA A 59 9.029 11.636 -6.349 1.00 1.00 O ATOM 472 CB ALA A 59 6.335 13.538 -5.436 1.00 1.00 C ATOM 0 H ALA A 59 4.787 12.179 -6.761 1.00 1.00 H new ATOM 0 HA ALA A 59 7.321 13.182 -7.287 1.00 1.00 H new ATOM 0 HB1 ALA A 59 7.183 14.076 -5.013 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.633 14.250 -5.870 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.837 12.970 -4.650 1.00 1.00 H new ATOM 478 N ASN A 60 7.370 10.676 -5.149 1.00 1.00 N ATOM 479 CA ASN A 60 8.229 9.659 -4.566 1.00 1.00 C ATOM 480 C ASN A 60 8.465 8.548 -5.592 1.00 1.00 C ATOM 481 O ASN A 60 9.532 7.936 -5.614 1.00 1.00 O ATOM 482 CB ASN A 60 7.579 9.031 -3.331 1.00 1.00 C ATOM 483 CG ASN A 60 7.716 9.948 -2.114 1.00 1.00 C ATOM 484 OD1 ASN A 60 7.400 11.217 -2.354 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 8.085 9.530 -1.028 1.00 1.00 N flip ATOM 0 H ASN A 60 6.394 10.630 -4.856 1.00 1.00 H new ATOM 0 HA ASN A 60 9.167 10.134 -4.278 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.525 8.838 -3.529 1.00 1.00 H new ATOM 0 HB3 ASN A 60 8.045 8.068 -3.120 1.00 1.00 H new ATOM 0 HD21 ASN A 60 8.312 8.542 -0.912 1.00 1.00 H new ATOM 0 HD22 ASN A 60 8.166 10.168 -0.237 1.00 1.00 H new ATOM 492 N GLY A 61 7.453 8.322 -6.416 1.00 1.00 N ATOM 493 CA GLY A 61 7.537 7.296 -7.441 1.00 1.00 C ATOM 494 C GLY A 61 7.080 5.940 -6.899 1.00 1.00 C ATOM 495 O GLY A 61 7.904 5.102 -6.537 1.00 1.00 O ATOM 0 H GLY A 61 6.570 8.832 -6.395 1.00 1.00 H new ATOM 0 HA2 GLY A 61 6.919 7.578 -8.294 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.563 7.220 -7.802 1.00 1.00 H new ATOM 499 N ILE A 62 5.766 5.767 -6.861 1.00 1.00 N ATOM 500 CA ILE A 62 5.189 4.528 -6.370 1.00 1.00 C ATOM 501 C ILE A 62 3.951 4.183 -7.200 1.00 1.00 C ATOM 502 O ILE A 62 2.844 4.106 -6.668 1.00 1.00 O ATOM 503 CB ILE A 62 4.915 4.623 -4.867 1.00 1.00 C ATOM 504 CG1 ILE A 62 6.178 5.027 -4.104 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.316 3.319 -4.336 1.00 1.00 C ATOM 506 CD1 ILE A 62 6.038 4.722 -2.611 1.00 1.00 C ATOM 0 H ILE A 62 5.086 6.465 -7.162 1.00 1.00 H new ATOM 0 HA ILE A 62 5.894 3.705 -6.491 1.00 1.00 H new ATOM 0 HB ILE A 62 4.176 5.407 -4.703 1.00 1.00 H new ATOM 0 HG12 ILE A 62 7.038 4.493 -4.509 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.368 6.091 -4.245 1.00 1.00 H new ATOM 0 HG21 ILE A 62 4.131 3.413 -3.266 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.377 3.114 -4.850 1.00 1.00 H new ATOM 0 HG23 ILE A 62 5.013 2.500 -4.513 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.949 5.019 -2.092 1.00 1.00 H new ATOM 0 HD12 ILE A 62 5.192 5.276 -2.204 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.873 3.654 -2.472 1.00 1.00 H new ATOM 518 N ARG A 63 4.179 3.984 -8.490 1.00 1.00 N ATOM 519 CA ARG A 63 3.096 3.648 -9.398 1.00 1.00 C ATOM 520 C ARG A 63 3.358 2.293 -10.059 1.00 1.00 C ATOM 521 O ARG A 63 3.415 2.196 -11.283 1.00 1.00 O ATOM 522 CB ARG A 63 2.938 4.715 -10.484 1.00 1.00 C ATOM 523 CG ARG A 63 3.207 6.113 -9.923 1.00 1.00 C ATOM 524 CD ARG A 63 4.474 6.715 -10.535 1.00 1.00 C ATOM 525 NE ARG A 63 5.671 6.183 -9.846 1.00 1.00 N ATOM 526 CZ ARG A 63 6.891 6.087 -10.415 1.00 1.00 C ATOM 527 NH1 ARG A 63 7.891 5.596 -9.707 1.00 1.00 N ATOM 528 NH2 ARG A 63 7.086 6.485 -11.691 1.00 1.00 N ATOM 0 H ARG A 63 5.098 4.049 -8.928 1.00 1.00 H new ATOM 0 HA ARG A 63 2.177 3.600 -8.814 1.00 1.00 H new ATOM 0 HB2 ARG A 63 3.627 4.510 -11.304 1.00 1.00 H new ATOM 0 HB3 ARG A 63 1.930 4.673 -10.896 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.356 6.762 -10.129 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.312 6.060 -8.839 1.00 1.00 H new ATOM 0 HD2 ARG A 63 4.522 6.479 -11.598 1.00 1.00 H new ATOM 0 HD3 ARG A 63 4.448 7.801 -10.450 1.00 1.00 H new ATOM 0 HE ARG A 63 5.567 5.869 -8.881 1.00 1.00 H new ATOM 0 HH11 ARG A 63 7.735 5.296 -8.745 1.00 1.00 H new ATOM 0 HH12 ARG A 63 8.819 5.517 -10.122 1.00 1.00 H new ATOM 0 HH21 ARG A 63 6.308 6.862 -12.232 1.00 1.00 H new ATOM 0 HH22 ARG A 63 8.011 6.409 -12.113 1.00 1.00 H new ATOM 538 N THR A 64 3.509 1.280 -9.218 1.00 1.00 N ATOM 539 CA THR A 64 3.763 -0.065 -9.704 1.00 1.00 C ATOM 540 C THR A 64 3.214 -1.100 -8.721 1.00 1.00 C ATOM 541 O THR A 64 3.008 -0.798 -7.546 1.00 1.00 O ATOM 542 CB THR A 64 5.266 -0.202 -9.954 1.00 1.00 C ATOM 543 OG1 THR A 64 5.863 0.310 -8.766 1.00 1.00 O ATOM 544 CG2 THR A 64 5.764 0.737 -11.055 1.00 1.00 C ATOM 0 H THR A 64 3.460 1.364 -8.203 1.00 1.00 H new ATOM 0 HA THR A 64 3.244 -0.250 -10.645 1.00 1.00 H new ATOM 0 HB THR A 64 5.497 -1.233 -10.223 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.830 0.156 -8.794 1.00 1.00 H new ATOM 0 HG21 THR A 64 6.837 0.600 -11.193 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.247 0.511 -11.987 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.564 1.770 -10.770 1.00 1.00 H new ATOM 552 N VAL A 65 2.992 -2.300 -9.237 1.00 1.00 N ATOM 553 CA VAL A 65 2.470 -3.382 -8.419 1.00 1.00 C ATOM 554 C VAL A 65 3.542 -3.821 -7.419 1.00 1.00 C ATOM 555 O VAL A 65 3.326 -3.769 -6.209 1.00 1.00 O ATOM 556 CB VAL A 65 1.981 -4.524 -9.311 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.757 -5.799 -8.496 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.712 -4.125 -10.066 1.00 1.00 C ATOM 0 H VAL A 65 3.164 -2.547 -10.212 1.00 1.00 H new ATOM 0 HA VAL A 65 1.607 -3.045 -7.845 1.00 1.00 H new ATOM 0 HB VAL A 65 2.758 -4.730 -10.048 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.410 -6.595 -9.154 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.693 -6.100 -8.026 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.008 -5.612 -7.726 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.385 -4.955 -10.693 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -0.074 -3.878 -9.352 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.919 -3.257 -10.692 1.00 1.00 H new ATOM 568 N ARG A 66 4.674 -4.245 -7.961 1.00 1.00 N ATOM 569 CA ARG A 66 5.780 -4.693 -7.132 1.00 1.00 C ATOM 570 C ARG A 66 5.991 -3.729 -5.963 1.00 1.00 C ATOM 571 O ARG A 66 5.813 -4.103 -4.805 1.00 1.00 O ATOM 572 CB ARG A 66 7.073 -4.791 -7.944 1.00 1.00 C ATOM 573 CG ARG A 66 7.074 -6.043 -8.824 1.00 1.00 C ATOM 574 CD ARG A 66 8.244 -6.018 -9.810 1.00 1.00 C ATOM 575 NE ARG A 66 8.590 -7.398 -10.218 1.00 1.00 N ATOM 576 CZ ARG A 66 9.354 -8.235 -9.485 1.00 1.00 C ATOM 577 NH1 ARG A 66 9.601 -9.446 -9.946 1.00 1.00 N ATOM 578 NH2 ARG A 66 9.858 -7.839 -8.297 1.00 1.00 N ATOM 0 H ARG A 66 4.849 -4.288 -8.965 1.00 1.00 H new ATOM 0 HA ARG A 66 5.529 -5.683 -6.750 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.183 -3.904 -8.567 1.00 1.00 H new ATOM 0 HB3 ARG A 66 7.929 -4.815 -7.270 1.00 1.00 H new ATOM 0 HG2 ARG A 66 7.140 -6.932 -8.197 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.134 -6.108 -9.371 1.00 1.00 H new ATOM 0 HD2 ARG A 66 7.980 -5.426 -10.686 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.108 -5.538 -9.350 1.00 1.00 H new ATOM 0 HE ARG A 66 8.228 -7.738 -11.109 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.216 -9.738 -10.844 1.00 1.00 H new ATOM 0 HH12 ARG A 66 10.177 -10.090 -9.404 1.00 1.00 H new ATOM 0 HH21 ARG A 66 9.662 -6.901 -7.947 1.00 1.00 H new ATOM 0 HH22 ARG A 66 10.434 -8.478 -7.749 1.00 1.00 H new ATOM 588 N ASP A 67 6.367 -2.506 -6.307 1.00 1.00 N ATOM 589 CA ASP A 67 6.605 -1.485 -5.300 1.00 1.00 C ATOM 590 C ASP A 67 5.605 -1.661 -4.156 1.00 1.00 C ATOM 591 O ASP A 67 5.948 -1.463 -2.991 1.00 1.00 O ATOM 592 CB ASP A 67 6.415 -0.083 -5.882 1.00 1.00 C ATOM 593 CG ASP A 67 7.549 0.399 -6.790 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.113 -0.378 -7.575 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.852 1.647 -6.667 1.00 1.00 O ATOM 0 H ASP A 67 6.513 -2.199 -7.269 1.00 1.00 H new ATOM 0 HA ASP A 67 7.630 -1.593 -4.946 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.484 -0.064 -6.448 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.303 0.623 -5.060 1.00 1.00 H new ATOM 601 N VAL A 68 4.388 -2.032 -4.527 1.00 1.00 N ATOM 602 CA VAL A 68 3.336 -2.236 -3.546 1.00 1.00 C ATOM 603 C VAL A 68 3.371 -3.687 -3.063 1.00 1.00 C ATOM 604 O VAL A 68 2.353 -4.377 -3.083 1.00 1.00 O ATOM 605 CB VAL A 68 1.983 -1.836 -4.139 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.855 -2.059 -3.129 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.005 -0.386 -4.625 1.00 1.00 C ATOM 0 H VAL A 68 4.107 -2.197 -5.494 1.00 1.00 H new ATOM 0 HA VAL A 68 3.496 -1.599 -2.676 1.00 1.00 H new ATOM 0 HB VAL A 68 1.792 -2.475 -5.001 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.096 -1.767 -3.575 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.818 -3.113 -2.852 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.039 -1.456 -2.239 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.032 -0.127 -5.042 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.229 0.275 -3.788 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.770 -0.271 -5.392 1.00 1.00 H new ATOM 617 N ALA A 69 4.554 -4.108 -2.639 1.00 1.00 N ATOM 618 CA ALA A 69 4.735 -5.465 -2.151 1.00 1.00 C ATOM 619 C ALA A 69 6.061 -5.557 -1.394 1.00 1.00 C ATOM 620 O ALA A 69 6.136 -6.186 -0.340 1.00 1.00 O ATOM 621 CB ALA A 69 4.665 -6.443 -3.325 1.00 1.00 C ATOM 0 H ALA A 69 5.397 -3.533 -2.623 1.00 1.00 H new ATOM 0 HA ALA A 69 3.939 -5.733 -1.456 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.801 -7.461 -2.959 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.693 -6.359 -3.811 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.451 -6.207 -4.042 1.00 1.00 H new ATOM 627 N ALA A 70 7.076 -4.921 -1.962 1.00 1.00 N ATOM 628 CA ALA A 70 8.395 -4.923 -1.353 1.00 1.00 C ATOM 629 C ALA A 70 8.399 -3.977 -0.151 1.00 1.00 C ATOM 630 O ALA A 70 8.563 -4.381 0.998 1.00 1.00 O ATOM 631 CB ALA A 70 9.441 -4.539 -2.401 1.00 1.00 C ATOM 0 H ALA A 70 7.011 -4.401 -2.837 1.00 1.00 H new ATOM 0 HA ALA A 70 8.648 -5.919 -0.989 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.431 -4.540 -1.945 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.418 -5.259 -3.219 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.221 -3.544 -2.787 1.00 1.00 H new ATOM 637 N TYR A 71 8.213 -2.688 -0.447 1.00 1.00 N ATOM 638 CA TYR A 71 8.192 -1.665 0.579 1.00 1.00 C ATOM 639 C TYR A 71 7.357 -2.136 1.761 1.00 1.00 C ATOM 640 O TYR A 71 7.866 -2.150 2.881 1.00 1.00 O ATOM 641 CB TYR A 71 7.625 -0.374 -0.003 1.00 1.00 C ATOM 642 CG TYR A 71 8.675 0.676 -0.278 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.566 1.944 0.304 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.758 0.380 -1.114 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.539 2.917 0.050 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.732 1.354 -1.368 1.00 1.00 C ATOM 647 CZ TYR A 71 10.623 2.622 -0.786 1.00 1.00 C ATOM 648 OH TYR A 71 11.572 3.570 -1.033 1.00 1.00 O ATOM 0 H TYR A 71 8.075 -2.336 -1.394 1.00 1.00 H new ATOM 0 HA TYR A 71 9.207 -1.476 0.929 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.100 -0.603 -0.930 1.00 1.00 H new ATOM 0 HB3 TYR A 71 6.888 0.034 0.688 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.731 2.172 0.949 1.00 1.00 H new ATOM 0 HD2 TYR A 71 9.843 -0.599 -1.563 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.454 3.896 0.499 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.568 1.126 -2.013 1.00 1.00 H new ATOM 0 HH TYR A 71 12.255 3.201 -1.632 1.00 1.00 H new ATOM 658 N ILE A 72 6.113 -2.508 1.498 1.00 1.00 N ATOM 659 CA ILE A 72 5.231 -2.974 2.555 1.00 1.00 C ATOM 660 C ILE A 72 6.010 -3.901 3.490 1.00 1.00 C ATOM 661 O ILE A 72 5.782 -3.902 4.699 1.00 1.00 O ATOM 662 CB ILE A 72 3.974 -3.614 1.961 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.332 -4.823 1.094 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.145 -2.583 1.192 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.226 -5.879 1.144 1.00 1.00 C ATOM 0 H ILE A 72 5.695 -2.496 0.568 1.00 1.00 H new ATOM 0 HA ILE A 72 4.880 -2.135 3.156 1.00 1.00 H new ATOM 0 HB ILE A 72 3.355 -3.978 2.781 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.488 -4.503 0.064 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.270 -5.257 1.439 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.258 -3.064 0.780 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.844 -1.782 1.867 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.743 -2.168 0.380 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.505 -6.728 0.520 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.089 -6.214 2.172 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.295 -5.448 0.776 1.00 1.00 H new ATOM 677 N ARG A 73 6.912 -4.668 2.896 1.00 1.00 N ATOM 678 CA ARG A 73 7.726 -5.597 3.661 1.00 1.00 C ATOM 679 C ARG A 73 8.531 -4.847 4.724 1.00 1.00 C ATOM 680 O ARG A 73 8.322 -5.045 5.920 1.00 1.00 O ATOM 681 CB ARG A 73 8.686 -6.366 2.751 1.00 1.00 C ATOM 682 CG ARG A 73 8.939 -7.777 3.288 1.00 1.00 C ATOM 683 CD ARG A 73 10.205 -7.818 4.146 1.00 1.00 C ATOM 684 NE ARG A 73 11.115 -8.877 3.653 1.00 1.00 N ATOM 685 CZ ARG A 73 12.285 -9.204 4.242 1.00 1.00 C ATOM 686 NH1 ARG A 73 13.019 -10.167 3.717 1.00 1.00 N ATOM 687 NH2 ARG A 73 12.697 -8.556 5.353 1.00 1.00 N ATOM 0 H ARG A 73 7.097 -4.665 1.893 1.00 1.00 H new ATOM 0 HA ARG A 73 7.054 -6.307 4.144 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.270 -6.425 1.745 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.630 -5.827 2.675 1.00 1.00 H new ATOM 0 HG2 ARG A 73 8.084 -8.104 3.880 1.00 1.00 H new ATOM 0 HG3 ARG A 73 9.036 -8.475 2.456 1.00 1.00 H new ATOM 0 HD2 ARG A 73 10.707 -6.851 4.114 1.00 1.00 H new ATOM 0 HD3 ARG A 73 9.943 -8.007 5.187 1.00 1.00 H new ATOM 0 HE ARG A 73 10.841 -9.392 2.816 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.700 -10.652 2.878 1.00 1.00 H new ATOM 0 HH12 ARG A 73 13.906 -10.426 4.150 1.00 1.00 H new ATOM 0 HH21 ARG A 73 12.123 -7.814 5.753 1.00 1.00 H new ATOM 0 HH22 ARG A 73 13.582 -8.809 5.792 1.00 1.00 H new ATOM 697 N ASN A 74 9.434 -4.002 4.249 1.00 1.00 N ATOM 698 CA ASN A 74 10.272 -3.222 5.144 1.00 1.00 C ATOM 699 C ASN A 74 10.161 -1.741 4.776 1.00 1.00 C ATOM 700 O ASN A 74 11.061 -1.146 4.188 1.00 1.00 O ATOM 701 CB ASN A 74 11.741 -3.631 5.020 1.00 1.00 C ATOM 702 CG ASN A 74 12.513 -3.294 6.297 1.00 1.00 C ATOM 703 OD1 ASN A 74 12.594 -1.991 6.553 1.00 1.00 O flip ATOM 704 ND2 ASN A 74 13.004 -4.159 7.004 1.00 1.00 N flip ATOM 0 H ASN A 74 9.604 -3.840 3.256 1.00 1.00 H new ATOM 0 HA ASN A 74 9.933 -3.400 6.165 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.809 -4.701 4.821 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.194 -3.119 4.171 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.905 -5.142 6.750 1.00 1.00 H new ATOM 0 HD22 ASN A 74 13.513 -3.899 7.849 1.00 1.00 H new ATOM 711 N PRO A 75 9.021 -1.152 5.143 1.00 1.00 N ATOM 712 CA PRO A 75 8.705 0.239 4.898 1.00 1.00 C ATOM 713 C PRO A 75 9.349 1.104 5.972 1.00 1.00 C ATOM 714 O PRO A 75 9.929 0.556 6.908 1.00 1.00 O ATOM 715 CB PRO A 75 7.182 0.314 4.974 1.00 1.00 C ATOM 716 CG PRO A 75 6.811 -0.797 5.890 1.00 1.00 C ATOM 717 CD PRO A 75 7.942 -1.822 5.836 1.00 1.00 C ATOM 0 HA PRO A 75 9.075 0.596 3.937 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.849 1.277 5.360 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.727 0.190 3.991 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.674 -0.428 6.907 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.867 -1.249 5.585 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.246 -2.128 6.837 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.633 -2.724 5.307 1.00 1.00 H new ATOM 725 N GLY A 76 9.238 2.416 5.823 1.00 1.00 N ATOM 726 CA GLY A 76 9.818 3.331 6.791 1.00 1.00 C ATOM 727 C GLY A 76 8.857 3.579 7.955 1.00 1.00 C ATOM 728 O GLY A 76 7.820 2.934 8.095 1.00 1.00 O ATOM 0 H GLY A 76 8.755 2.867 5.046 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.754 2.921 7.169 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.058 4.277 6.305 1.00 1.00 H new ATOM 732 N PRO A 77 9.230 4.544 8.799 1.00 1.00 N ATOM 733 CA PRO A 77 8.472 4.946 9.965 1.00 1.00 C ATOM 734 C PRO A 77 7.100 5.446 9.535 1.00 1.00 C ATOM 735 O PRO A 77 6.960 5.892 8.397 1.00 1.00 O ATOM 736 CB PRO A 77 9.291 6.070 10.596 1.00 1.00 C ATOM 737 CG PRO A 77 10.211 6.562 9.528 1.00 1.00 C ATOM 738 CD PRO A 77 10.441 5.324 8.665 1.00 1.00 C ATOM 0 HA PRO A 77 8.307 4.128 10.666 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.644 6.871 10.952 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.852 5.707 11.457 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.764 7.374 8.955 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.144 6.941 9.944 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.622 5.596 7.625 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.312 4.763 9.004 1.00 1.00 H new ATOM 746 N GLY A 78 6.130 5.364 10.434 1.00 1.00 N ATOM 747 CA GLY A 78 4.783 5.812 10.124 1.00 1.00 C ATOM 748 C GLY A 78 3.906 4.641 9.675 1.00 1.00 C ATOM 749 O GLY A 78 2.710 4.613 9.960 1.00 1.00 O ATOM 0 H GLY A 78 6.250 4.994 11.377 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.342 6.286 11.001 1.00 1.00 H new ATOM 0 HA3 GLY A 78 4.819 6.567 9.338 1.00 1.00 H new ATOM 753 N MET A 79 4.534 3.705 8.980 1.00 1.00 N ATOM 754 CA MET A 79 3.826 2.535 8.489 1.00 1.00 C ATOM 755 C MET A 79 4.441 1.248 9.043 1.00 1.00 C ATOM 756 O MET A 79 5.648 1.025 8.984 1.00 1.00 O ATOM 757 CB MET A 79 3.879 2.510 6.960 1.00 1.00 C ATOM 758 CG MET A 79 2.670 1.773 6.381 1.00 1.00 C ATOM 759 SD MET A 79 2.459 2.203 4.661 1.00 1.00 S ATOM 760 CE MET A 79 3.027 0.695 3.893 1.00 1.00 C ATOM 0 H MET A 79 5.526 3.733 8.745 1.00 1.00 H new ATOM 0 HA MET A 79 2.791 2.593 8.824 1.00 1.00 H new ATOM 0 HB2 MET A 79 3.905 3.530 6.577 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.797 2.023 6.632 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.808 0.696 6.481 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.772 2.033 6.942 1.00 1.00 H new ATOM 0 HE1 MET A 79 2.962 0.792 2.809 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.062 0.508 4.179 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.404 -0.137 4.221 1.00 1.00 H new ATOM 770 N PRO A 80 3.571 0.397 9.590 1.00 1.00 N ATOM 771 CA PRO A 80 3.933 -0.878 10.172 1.00 1.00 C ATOM 772 C PRO A 80 4.725 -1.694 9.160 1.00 1.00 C ATOM 773 O PRO A 80 5.449 -1.105 8.358 1.00 1.00 O ATOM 774 CB PRO A 80 2.602 -1.552 10.497 1.00 1.00 C ATOM 775 CG PRO A 80 1.622 -0.470 10.598 1.00 1.00 C ATOM 776 CD PRO A 80 2.145 0.628 9.676 1.00 1.00 C ATOM 0 HA PRO A 80 4.558 -0.778 11.059 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.322 -2.261 9.718 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.665 -2.111 11.430 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.632 -0.805 10.290 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.533 -0.114 11.624 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.677 0.575 8.693 1.00 1.00 H new ATOM 0 HD3 PRO A 80 1.929 1.618 10.079 1.00 1.00 H new ATOM 784 N ALA A 81 4.580 -3.010 9.215 1.00 1.00 N ATOM 785 CA ALA A 81 5.293 -3.880 8.296 1.00 1.00 C ATOM 786 C ALA A 81 4.492 -5.168 8.094 1.00 1.00 C ATOM 787 O ALA A 81 3.577 -5.460 8.862 1.00 1.00 O ATOM 788 CB ALA A 81 6.701 -4.147 8.833 1.00 1.00 C ATOM 0 H ALA A 81 3.979 -3.495 9.882 1.00 1.00 H new ATOM 0 HA ALA A 81 5.401 -3.403 7.322 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.236 -4.800 8.143 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.238 -3.204 8.930 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.633 -4.628 9.809 1.00 1.00 H new ATOM 794 N PHE A 82 4.866 -5.904 7.058 1.00 1.00 N ATOM 795 CA PHE A 82 4.194 -7.153 6.746 1.00 1.00 C ATOM 796 C PHE A 82 5.176 -8.176 6.170 1.00 1.00 C ATOM 797 O PHE A 82 5.567 -8.080 5.008 1.00 1.00 O ATOM 798 CB PHE A 82 3.130 -6.838 5.693 1.00 1.00 C ATOM 799 CG PHE A 82 2.106 -5.791 6.136 1.00 1.00 C ATOM 800 CD1 PHE A 82 0.935 -6.183 6.704 1.00 1.00 C ATOM 801 CD2 PHE A 82 2.369 -4.468 5.962 1.00 1.00 C ATOM 802 CE1 PHE A 82 -0.015 -5.211 7.116 1.00 1.00 C ATOM 803 CE2 PHE A 82 1.419 -3.496 6.374 1.00 1.00 C ATOM 804 CZ PHE A 82 0.247 -3.888 6.942 1.00 1.00 C ATOM 0 H PHE A 82 5.626 -5.659 6.424 1.00 1.00 H new ATOM 0 HA PHE A 82 3.759 -7.576 7.651 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.623 -6.488 4.786 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.605 -7.758 5.435 1.00 1.00 H new ATOM 0 HD1 PHE A 82 0.727 -7.234 6.842 1.00 1.00 H new ATOM 0 HD2 PHE A 82 3.300 -4.157 5.511 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -0.945 -5.523 7.567 1.00 1.00 H new ATOM 0 HE2 PHE A 82 1.627 -2.445 6.236 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.475 -3.149 7.255 1.00 1.00 H new ATOM 814 N GLY A 83 5.547 -9.130 7.011 1.00 1.00 N ATOM 815 CA GLY A 83 6.476 -10.169 6.601 1.00 1.00 C ATOM 816 C GLY A 83 5.748 -11.298 5.869 1.00 1.00 C ATOM 817 O GLY A 83 4.554 -11.196 5.595 1.00 1.00 O ATOM 0 H GLY A 83 5.221 -9.205 7.975 1.00 1.00 H new ATOM 0 HA2 GLY A 83 7.240 -9.743 5.951 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.989 -10.569 7.476 1.00 1.00 H new ATOM 821 N GLU A 84 6.499 -12.349 5.573 1.00 1.00 N ATOM 822 CA GLU A 84 5.940 -13.497 4.879 1.00 1.00 C ATOM 823 C GLU A 84 5.305 -14.466 5.878 1.00 1.00 C ATOM 824 O GLU A 84 4.982 -15.600 5.530 1.00 1.00 O ATOM 825 CB GLU A 84 7.005 -14.199 4.035 1.00 1.00 C ATOM 826 CG GLU A 84 8.066 -14.851 4.923 1.00 1.00 C ATOM 827 CD GLU A 84 9.159 -15.510 4.079 1.00 1.00 C ATOM 828 OE1 GLU A 84 10.134 -14.845 3.698 1.00 1.00 O ATOM 829 OE2 GLU A 84 8.969 -16.760 3.821 1.00 1.00 O ATOM 0 H GLU A 84 7.490 -12.430 5.801 1.00 1.00 H new ATOM 0 HA GLU A 84 5.162 -13.144 4.203 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.536 -14.956 3.407 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.477 -13.479 3.367 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.510 -14.100 5.577 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.599 -15.597 5.566 1.00 1.00 H new ATOM 837 N ALA A 85 5.146 -13.983 7.102 1.00 1.00 N ATOM 838 CA ALA A 85 4.557 -14.792 8.155 1.00 1.00 C ATOM 839 C ALA A 85 3.036 -14.806 7.990 1.00 1.00 C ATOM 840 O ALA A 85 2.402 -15.851 8.128 1.00 1.00 O ATOM 841 CB ALA A 85 4.990 -14.251 9.519 1.00 1.00 C ATOM 0 H ALA A 85 5.415 -13.041 7.388 1.00 1.00 H new ATOM 0 HA ALA A 85 4.906 -15.822 8.088 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.548 -14.859 10.308 1.00 1.00 H new ATOM 0 HB2 ALA A 85 6.077 -14.289 9.597 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.655 -13.219 9.624 1.00 1.00 H new ATOM 847 N MET A 86 2.493 -13.633 7.697 1.00 1.00 N ATOM 848 CA MET A 86 1.059 -13.498 7.511 1.00 1.00 C ATOM 849 C MET A 86 0.701 -13.435 6.025 1.00 1.00 C ATOM 850 O MET A 86 -0.108 -14.226 5.543 1.00 1.00 O ATOM 851 CB MET A 86 0.572 -12.226 8.208 1.00 1.00 C ATOM 852 CG MET A 86 -0.826 -12.424 8.797 1.00 1.00 C ATOM 853 SD MET A 86 -0.792 -13.715 10.030 1.00 1.00 S ATOM 854 CE MET A 86 0.242 -12.940 11.262 1.00 1.00 C ATOM 0 H MET A 86 3.021 -12.768 7.584 1.00 1.00 H new ATOM 0 HA MET A 86 0.572 -14.371 7.945 1.00 1.00 H new ATOM 0 HB2 MET A 86 1.269 -11.952 9.000 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.557 -11.400 7.497 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.177 -11.493 9.243 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.529 -12.684 8.006 1.00 1.00 H new ATOM 0 HE1 MET A 86 0.023 -13.367 12.241 1.00 1.00 H new ATOM 0 HE2 MET A 86 1.290 -13.111 11.017 1.00 1.00 H new ATOM 0 HE3 MET A 86 0.044 -11.868 11.281 1.00 1.00 H new ATOM 864 N ILE A 87 1.322 -12.486 5.340 1.00 1.00 N ATOM 865 CA ILE A 87 1.080 -12.309 3.918 1.00 1.00 C ATOM 866 C ILE A 87 2.389 -12.510 3.153 1.00 1.00 C ATOM 867 O ILE A 87 3.357 -11.769 3.310 1.00 1.00 O ATOM 868 CB ILE A 87 0.413 -10.958 3.652 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.819 -10.770 4.541 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.079 -10.794 2.168 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.787 -9.756 3.928 1.00 1.00 C ATOM 0 H ILE A 87 1.992 -11.832 5.743 1.00 1.00 H new ATOM 0 HA ILE A 87 0.380 -13.061 3.554 1.00 1.00 H new ATOM 0 HB ILE A 87 1.121 -10.171 3.912 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.325 -11.726 4.675 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.510 -10.432 5.530 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.394 -9.825 2.006 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.995 -10.853 1.580 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.602 -11.587 1.859 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.654 -9.641 4.579 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.285 -8.795 3.818 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.113 -10.109 2.950 1.00 1.00 H new ATOM 883 N PRO A 88 2.397 -13.544 2.309 1.00 1.00 N ATOM 884 CA PRO A 88 3.527 -13.916 1.485 1.00 1.00 C ATOM 885 C PRO A 88 3.673 -12.924 0.340 1.00 1.00 C ATOM 886 O PRO A 88 2.684 -12.364 -0.128 1.00 1.00 O ATOM 887 CB PRO A 88 3.187 -15.310 0.961 1.00 1.00 C ATOM 888 CG PRO A 88 1.714 -15.358 0.964 1.00 1.00 C ATOM 889 CD PRO A 88 1.277 -14.436 2.100 1.00 1.00 C ATOM 0 HA PRO A 88 4.470 -13.912 2.032 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.587 -15.465 -0.041 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.610 -16.087 1.597 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.309 -15.023 0.009 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.355 -16.375 1.124 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.376 -13.883 1.835 1.00 1.00 H new ATOM 0 HD3 PRO A 88 1.050 -15.002 3.003 1.00 1.00 H new ATOM 897 N PRO A 89 4.911 -12.706 -0.108 1.00 1.00 N ATOM 898 CA PRO A 89 5.240 -11.799 -1.187 1.00 1.00 C ATOM 899 C PRO A 89 4.373 -12.110 -2.398 1.00 1.00 C ATOM 900 O PRO A 89 3.901 -11.177 -3.046 1.00 1.00 O ATOM 901 CB PRO A 89 6.714 -12.064 -1.486 1.00 1.00 C ATOM 902 CG PRO A 89 7.080 -13.378 -0.747 1.00 1.00 C ATOM 903 CD PRO A 89 6.096 -13.347 0.420 1.00 1.00 C ATOM 0 HA PRO A 89 5.065 -10.754 -0.931 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.881 -12.162 -2.559 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.335 -11.238 -1.140 1.00 1.00 H new ATOM 0 HG2 PRO A 89 6.943 -14.256 -1.378 1.00 1.00 H new ATOM 0 HG3 PRO A 89 8.117 -13.386 -0.411 1.00 1.00 H new ATOM 0 HD2 PRO A 89 5.875 -14.353 0.777 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.503 -12.791 1.265 1.00 1.00 H new ATOM 911 N ALA A 90 4.182 -13.391 -2.678 1.00 1.00 N ATOM 912 CA ALA A 90 3.371 -13.795 -3.815 1.00 1.00 C ATOM 913 C ALA A 90 1.940 -13.290 -3.620 1.00 1.00 C ATOM 914 O ALA A 90 1.235 -13.022 -4.592 1.00 1.00 O ATOM 915 CB ALA A 90 3.436 -15.315 -3.973 1.00 1.00 C ATOM 0 H ALA A 90 4.574 -14.162 -2.138 1.00 1.00 H new ATOM 0 HA ALA A 90 3.754 -13.354 -4.736 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.828 -15.619 -4.825 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.469 -15.620 -4.137 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.057 -15.791 -3.069 1.00 1.00 H new ATOM 921 N ASP A 91 1.553 -13.175 -2.358 1.00 1.00 N ATOM 922 CA ASP A 91 0.219 -12.707 -2.024 1.00 1.00 C ATOM 923 C ASP A 91 0.213 -11.177 -1.992 1.00 1.00 C ATOM 924 O ASP A 91 -0.848 -10.558 -1.932 1.00 1.00 O ATOM 925 CB ASP A 91 -0.212 -13.210 -0.645 1.00 1.00 C ATOM 926 CG ASP A 91 -0.699 -14.660 -0.609 1.00 1.00 C ATOM 927 OD1 ASP A 91 -1.708 -14.979 0.037 1.00 1.00 O ATOM 928 OD2 ASP A 91 0.014 -15.491 -1.290 1.00 1.00 O ATOM 0 H ASP A 91 2.140 -13.398 -1.554 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.470 -13.087 -2.778 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.628 -13.108 0.041 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.008 -12.566 -0.272 1.00 1.00 H new ATOM 934 N ALA A 92 1.411 -10.611 -2.034 1.00 1.00 N ATOM 935 CA ALA A 92 1.557 -9.166 -2.011 1.00 1.00 C ATOM 936 C ALA A 92 1.357 -8.615 -3.424 1.00 1.00 C ATOM 937 O ALA A 92 0.757 -7.556 -3.602 1.00 1.00 O ATOM 938 CB ALA A 92 2.924 -8.800 -1.431 1.00 1.00 C ATOM 0 H ALA A 92 2.289 -11.128 -2.084 1.00 1.00 H new ATOM 0 HA ALA A 92 0.800 -8.714 -1.371 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.033 -7.716 -1.414 1.00 1.00 H new ATOM 0 HB2 ALA A 92 3.005 -9.189 -0.416 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.710 -9.234 -2.049 1.00 1.00 H new ATOM 944 N LEU A 93 1.871 -9.358 -4.393 1.00 1.00 N ATOM 945 CA LEU A 93 1.757 -8.957 -5.785 1.00 1.00 C ATOM 946 C LEU A 93 0.277 -8.863 -6.164 1.00 1.00 C ATOM 947 O LEU A 93 -0.069 -8.279 -7.190 1.00 1.00 O ATOM 948 CB LEU A 93 2.563 -9.898 -6.682 1.00 1.00 C ATOM 949 CG LEU A 93 4.063 -9.981 -6.391 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.704 -11.149 -7.143 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.755 -8.652 -6.700 1.00 1.00 C ATOM 0 H LEU A 93 2.368 -10.236 -4.242 1.00 1.00 H new ATOM 0 HA LEU A 93 2.188 -7.967 -5.933 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.141 -10.899 -6.597 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.431 -9.583 -7.717 1.00 1.00 H new ATOM 0 HG LEU A 93 4.194 -10.173 -5.326 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.770 -11.185 -6.919 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.236 -12.083 -6.832 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.563 -11.012 -8.215 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.820 -8.738 -6.485 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.616 -8.406 -7.753 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.322 -7.864 -6.083 1.00 1.00 H new ATOM 963 N LYS A 94 -0.556 -9.448 -5.316 1.00 1.00 N ATOM 964 CA LYS A 94 -1.990 -9.438 -5.549 1.00 1.00 C ATOM 965 C LYS A 94 -2.588 -8.152 -4.973 1.00 1.00 C ATOM 966 O LYS A 94 -3.593 -7.652 -5.474 1.00 1.00 O ATOM 967 CB LYS A 94 -2.632 -10.714 -5.001 1.00 1.00 C ATOM 968 CG LYS A 94 -4.158 -10.639 -5.081 1.00 1.00 C ATOM 969 CD LYS A 94 -4.792 -10.904 -3.714 1.00 1.00 C ATOM 970 CE LYS A 94 -5.395 -12.309 -3.653 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.874 -12.239 -3.666 1.00 1.00 N ATOM 0 H LYS A 94 -0.265 -9.932 -4.467 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.201 -9.437 -6.618 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -2.277 -11.576 -5.566 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.326 -10.864 -3.966 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.459 -9.655 -5.441 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.524 -11.368 -5.803 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.040 -10.793 -2.933 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.567 -10.163 -3.519 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -5.045 -12.898 -4.501 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.057 -12.817 -2.750 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -7.266 -13.199 -3.744 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -7.208 -11.799 -2.785 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -7.187 -11.670 -4.478 1.00 1.00 H new ATOM 984 N ILE A 95 -1.943 -7.655 -3.927 1.00 1.00 N ATOM 985 CA ILE A 95 -2.398 -6.438 -3.277 1.00 1.00 C ATOM 986 C ILE A 95 -2.089 -5.239 -4.176 1.00 1.00 C ATOM 987 O ILE A 95 -2.939 -4.373 -4.375 1.00 1.00 O ATOM 988 CB ILE A 95 -1.800 -6.325 -1.873 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.985 -7.627 -1.092 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.377 -5.121 -1.127 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.422 -7.760 -0.582 1.00 1.00 C ATOM 0 H ILE A 95 -1.109 -8.073 -3.514 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.479 -6.462 -3.137 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.727 -6.159 -1.971 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.742 -8.476 -1.731 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.293 -7.652 -0.251 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.935 -5.064 -0.132 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.150 -4.208 -1.678 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.458 -5.232 -1.038 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.527 -8.694 -0.030 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.654 -6.922 0.075 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -4.110 -7.759 -1.428 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.870 -5.227 -4.694 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.438 -4.148 -5.567 1.00 1.00 C ATOM 1005 C GLY A 96 -1.487 -3.861 -6.643 1.00 1.00 C ATOM 1006 O GLY A 96 -1.561 -2.748 -7.162 1.00 1.00 O ATOM 0 H GLY A 96 -0.167 -5.947 -4.526 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.260 -3.248 -4.978 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.508 -4.413 -6.038 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.271 -4.885 -6.948 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.312 -4.756 -7.953 1.00 1.00 C ATOM 1012 C GLU A 97 -4.409 -3.808 -7.464 1.00 1.00 C ATOM 1013 O GLU A 97 -4.809 -2.866 -8.144 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.893 -6.123 -8.319 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.786 -7.171 -8.454 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.292 -8.410 -9.197 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.069 -8.539 -10.410 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.936 -9.257 -8.468 1.00 1.00 O ATOM 0 H GLU A 97 -2.206 -5.807 -6.517 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.868 -4.333 -8.854 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.604 -6.436 -7.555 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.445 -6.049 -9.256 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.938 -6.743 -8.989 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.428 -7.457 -7.465 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.892 -4.083 -6.250 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.936 -3.280 -5.645 1.00 1.00 C ATOM 1028 C TYR A 98 -5.596 -1.803 -5.781 1.00 1.00 C ATOM 1029 O TYR A 98 -6.512 -0.983 -5.817 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.086 -3.667 -4.176 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.237 -2.976 -3.485 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -6.987 -2.061 -2.455 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.553 -3.250 -3.874 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.054 -1.420 -1.815 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.620 -2.608 -3.234 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.371 -1.694 -2.204 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.410 -1.068 -1.580 1.00 1.00 O ATOM 0 H TYR A 98 -4.570 -4.860 -5.672 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.882 -3.462 -6.155 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.225 -4.746 -4.105 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.161 -3.430 -3.650 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -5.971 -1.850 -2.155 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.746 -3.957 -4.668 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -7.862 -0.714 -1.021 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.636 -2.818 -3.535 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.256 -1.370 -1.971 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.309 -1.494 -5.854 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.877 -0.113 -5.986 1.00 1.00 C ATOM 1049 C VAL A 99 -3.593 0.189 -7.459 1.00 1.00 C ATOM 1050 O VAL A 99 -2.677 0.946 -7.776 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.672 0.147 -5.080 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.072 1.528 -5.349 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.051 -0.009 -3.606 1.00 1.00 C ATOM 0 H VAL A 99 -3.552 -2.177 -5.824 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.665 0.566 -5.660 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.912 -0.599 -5.311 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.217 1.688 -4.692 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.747 1.588 -6.388 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.823 2.294 -5.159 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.177 0.181 -2.983 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.837 0.703 -3.355 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.410 -1.023 -3.428 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.397 -0.418 -8.320 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.244 -0.223 -9.752 1.00 1.00 C ATOM 1065 C VAL A 100 -5.615 -0.317 -10.424 1.00 1.00 C ATOM 1066 O VAL A 100 -5.705 -0.555 -11.628 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.234 -1.228 -10.312 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.183 -1.160 -11.839 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.847 -1.005 -9.706 1.00 1.00 C ATOM 0 H VAL A 100 -5.156 -1.045 -8.054 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.846 0.770 -9.962 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.565 -2.228 -10.033 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.458 -1.884 -12.211 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.167 -1.390 -12.247 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.887 -0.158 -12.149 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.148 -1.732 -10.120 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.505 0.003 -9.941 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.899 -1.127 -8.624 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.648 -0.124 -9.618 1.00 1.00 N ATOM 1080 CA ALA A 101 -8.010 -0.183 -10.120 1.00 1.00 C ATOM 1081 C ALA A 101 -8.784 1.042 -9.627 1.00 1.00 C ATOM 1082 O ALA A 101 -10.003 0.988 -9.469 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.659 -1.497 -9.682 1.00 1.00 C ATOM 0 H ALA A 101 -6.569 0.073 -8.620 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.019 -0.162 -11.210 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.681 -1.541 -10.059 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.088 -2.335 -10.081 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.671 -1.552 -8.593 1.00 1.00 H new ATOM 1089 N SER A 102 -8.045 2.117 -9.399 1.00 1.00 N ATOM 1090 CA SER A 102 -8.646 3.353 -8.928 1.00 1.00 C ATOM 1091 C SER A 102 -7.702 4.528 -9.189 1.00 1.00 C ATOM 1092 O SER A 102 -8.134 5.589 -9.637 1.00 1.00 O ATOM 1093 CB SER A 102 -8.987 3.267 -7.439 1.00 1.00 C ATOM 1094 OG SER A 102 -7.864 2.871 -6.656 1.00 1.00 O ATOM 0 H SER A 102 -7.035 2.158 -9.532 1.00 1.00 H new ATOM 0 HA SER A 102 -9.574 3.512 -9.477 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.347 4.236 -7.093 1.00 1.00 H new ATOM 0 HB3 SER A 102 -9.799 2.555 -7.294 1.00 1.00 H new ATOM 0 HG SER A 102 -7.381 3.667 -6.351 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.430 4.299 -8.898 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.420 5.325 -9.097 1.00 1.00 C ATOM 1102 C PHE A 103 -4.036 4.703 -9.289 1.00 1.00 C ATOM 1103 O PHE A 103 -3.201 4.678 -8.388 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.407 6.189 -7.834 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.851 5.450 -6.570 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.340 4.223 -6.284 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.758 6.021 -5.732 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.752 3.538 -5.111 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.171 5.335 -4.559 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.659 4.108 -4.273 1.00 1.00 C ATOM 0 H PHE A 103 -6.075 3.418 -8.526 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.653 5.908 -9.988 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.400 6.576 -7.681 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.059 7.049 -7.988 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.620 3.769 -6.949 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.164 6.996 -5.959 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.345 2.564 -4.884 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.892 5.788 -3.894 1.00 1.00 H new ATOM 0 HZ PHE A 103 -6.973 3.586 -3.381 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.810 4.194 -10.502 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.572 3.560 -10.904 1.00 1.00 C ATOM 1122 C PRO A 104 -1.418 4.535 -10.723 1.00 1.00 C ATOM 1123 O PRO A 104 -1.479 5.667 -11.197 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.770 3.213 -12.378 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.295 3.117 -12.545 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.770 4.206 -11.585 1.00 1.00 C ATOM 0 HA PRO A 104 -2.337 2.675 -10.313 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.346 3.979 -13.027 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.282 2.273 -12.634 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.609 3.308 -13.571 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.677 2.133 -12.272 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -4.800 5.179 -12.075 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.777 4.001 -11.222 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.294 2.675 4.260 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.597 5.519 2.809 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.208 1.211 1.010 1.00 1.00 C HETATM 1138 CHC HEC A 201 -1.067 -0.259 5.475 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.062 4.196 7.238 1.00 1.00 C HETATM 1140 NA HEC A 201 0.843 3.224 2.306 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.277 4.485 1.935 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.355 4.585 0.497 1.00 1.00 C HETATM 1143 C3A HEC A 201 0.970 3.392 -0.005 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.651 2.542 1.118 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.877 2.983 -1.446 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.788 5.808 -0.257 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.302 5.984 -0.337 1.00 1.00 C HETATM 1148 CGA HEC A 201 4.015 4.643 -0.242 1.00 1.00 C HETATM 1149 O1A HEC A 201 3.581 3.717 -0.961 1.00 1.00 O HETATM 1150 O2A HEC A 201 4.981 4.568 0.548 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.302 0.851 3.397 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.262 0.448 2.073 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.783 -0.893 1.943 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.137 -1.303 3.179 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.839 -0.221 4.087 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.891 -1.650 0.651 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.730 -2.622 3.580 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.958 -3.833 3.064 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.316 2.072 6.020 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.904 0.872 6.380 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.369 0.932 7.746 1.00 1.00 C HETATM 1162 C3C HEC A 201 -1.066 2.161 8.215 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.410 2.874 7.144 1.00 1.00 C HETATM 1164 CMC HEC A 201 -2.056 -0.189 8.469 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.338 2.722 9.580 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.922 1.802 10.724 1.00 1.00 C HETATM 1167 ND HEC A 201 0.668 4.497 4.865 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.636 4.905 6.188 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.288 6.185 6.333 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.714 6.555 5.107 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.331 5.507 4.190 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.439 6.930 7.627 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.450 7.805 4.722 1.00 1.00 C HETATM 1174 CBD HEC A 201 3.921 7.581 4.382 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.792 7.677 5.626 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.663 8.573 5.641 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.571 6.852 6.539 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.454 7.145 8.040 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.004 6.322 8.333 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 1.969 7.865 7.449 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.973 -0.453 7.943 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.397 -1.056 8.506 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.298 0.127 9.484 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.534 -1.103 -0.038 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.100 -1.762 0.211 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.317 -2.635 0.841 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.172 3.633 -1.964 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.859 3.067 -1.912 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.533 1.951 -1.510 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.046 6.601 3.922 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.245 8.321 3.650 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.466 0.860 10.650 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.149 1.608 10.664 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -1.152 2.279 11.677 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.932 -3.811 1.975 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.060 -3.808 3.452 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.450 -4.747 3.396 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.565 6.474 -1.275 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.639 6.636 0.469 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 1.954 8.256 3.863 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.382 8.521 5.541 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.384 5.761 -1.268 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.355 6.688 0.219 1.00 1.00 H new HETATM 0 HHD HEC A 201 -0.028 4.700 8.200 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.390 -1.206 5.906 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.235 0.746 0.025 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.088 6.400 2.395 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.406 6.657 7.013 1.00 1.00 H new HETATM 0 H2A HEC A 201 5.354 3.662 0.523 1.00 1.00 H new