USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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 75 THR OG1 : rot -1:sc= -0.0281 USER MOD Set 1.2: A 79 TYR OH : rot 14:sc= 1.44 USER MOD Set 2.1: A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.91) USER MOD Single : A 1 HIS N :NH3+ 144:sc= 0.0572 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -1.09 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.51! C(o=-2.5!,f=-7.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc=-0.00689 X(o=-0.0069,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.621 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -129:sc= 0 (180deg=-1.46) USER MOD Single : A 41 THR OG1 : rot -70:sc= 1.06 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.00032) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 165:sc= -6.25! (180deg=-7.14!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 130:sc= -0.44 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 130:sc= 0.455 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-5!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 15.557 6.882 -4.737 1.00 5.85 N ATOM 2 CA HIS A 1 14.438 7.772 -4.476 1.00 4.87 C ATOM 3 C HIS A 1 13.379 7.037 -3.653 1.00 3.83 C ATOM 4 O HIS A 1 13.243 5.818 -3.754 1.00 4.02 O ATOM 5 CB HIS A 1 13.882 8.343 -5.783 1.00 5.81 C ATOM 6 CG HIS A 1 14.298 9.768 -6.056 1.00 6.79 C ATOM 7 ND1 HIS A 1 13.746 10.529 -7.071 1.00 8.08 N ATOM 8 CD2 HIS A 1 15.216 10.563 -5.435 1.00 7.18 C ATOM 9 CE1 HIS A 1 14.314 11.725 -7.054 1.00 8.93 C ATOM 10 NE2 HIS A 1 15.225 11.745 -6.039 1.00 8.38 N ATOM 0 H1 HIS A 1 15.935 7.070 -5.687 1.00 5.85 H new ATOM 0 H2 HIS A 1 16.302 7.044 -4.030 1.00 5.85 H new ATOM 0 H3 HIS A 1 15.236 5.895 -4.681 1.00 5.85 H new ATOM 0 HA HIS A 1 14.777 8.626 -3.889 1.00 4.87 H new ATOM 0 HB2 HIS A 1 14.210 7.714 -6.611 1.00 5.81 H new ATOM 0 HB3 HIS A 1 12.794 8.292 -5.756 1.00 5.81 H new ATOM 0 HD2 HIS A 1 15.831 10.279 -4.594 1.00 7.18 H new ATOM 0 HE1 HIS A 1 14.094 12.541 -7.726 1.00 8.93 H new ATOM 0 HE2 HIS A 1 15.816 12.537 -5.786 1.00 8.38 H new ATOM 20 N PRO A 2 12.635 7.829 -2.835 1.00 3.77 N ATOM 21 CA PRO A 2 11.592 7.267 -1.994 1.00 3.87 C ATOM 22 C PRO A 2 10.357 6.903 -2.823 1.00 3.15 C ATOM 23 O PRO A 2 9.234 7.233 -2.445 1.00 3.49 O ATOM 24 CB PRO A 2 11.313 8.333 -0.948 1.00 5.32 C ATOM 25 CG PRO A 2 11.871 9.629 -1.514 1.00 5.74 C ATOM 26 CD PRO A 2 12.768 9.276 -2.689 1.00 4.85 C ATOM 0 HA PRO A 2 11.891 6.332 -1.520 1.00 3.87 H new ATOM 0 HB2 PRO A 2 10.244 8.420 -0.754 1.00 5.32 H new ATOM 0 HB3 PRO A 2 11.789 8.084 0.000 1.00 5.32 H new ATOM 0 HG2 PRO A 2 11.062 10.285 -1.835 1.00 5.74 H new ATOM 0 HG3 PRO A 2 12.434 10.167 -0.752 1.00 5.74 H new ATOM 0 HD2 PRO A 2 12.457 9.796 -3.595 1.00 4.85 H new ATOM 0 HD3 PRO A 2 13.802 9.561 -2.497 1.00 4.85 H new ATOM 34 N LYS A 3 10.608 6.230 -3.935 1.00 2.48 N ATOM 35 CA LYS A 3 9.530 5.818 -4.819 1.00 1.93 C ATOM 36 C LYS A 3 9.949 4.553 -5.572 1.00 1.35 C ATOM 37 O LYS A 3 11.003 4.524 -6.205 1.00 1.51 O ATOM 38 CB LYS A 3 9.119 6.972 -5.736 1.00 2.14 C ATOM 39 CG LYS A 3 10.323 7.509 -6.514 1.00 2.78 C ATOM 40 CD LYS A 3 10.548 8.993 -6.220 1.00 3.45 C ATOM 41 CE LYS A 3 9.344 9.829 -6.660 1.00 3.70 C ATOM 42 NZ LYS A 3 8.971 10.796 -5.604 1.00 4.30 N ATOM 0 H LYS A 3 11.541 5.959 -4.245 1.00 2.48 H new ATOM 0 HA LYS A 3 8.640 5.566 -4.243 1.00 1.93 H new ATOM 0 HB2 LYS A 3 8.353 6.632 -6.433 1.00 2.14 H new ATOM 0 HB3 LYS A 3 8.678 7.773 -5.143 1.00 2.14 H new ATOM 0 HG2 LYS A 3 11.215 6.942 -6.247 1.00 2.78 H new ATOM 0 HG3 LYS A 3 10.163 7.367 -7.583 1.00 2.78 H new ATOM 0 HD2 LYS A 3 10.722 9.134 -5.153 1.00 3.45 H new ATOM 0 HD3 LYS A 3 11.443 9.338 -6.737 1.00 3.45 H new ATOM 0 HE2 LYS A 3 9.580 10.361 -7.581 1.00 3.70 H new ATOM 0 HE3 LYS A 3 8.500 9.175 -6.877 1.00 3.70 H new ATOM 0 HZ1 LYS A 3 8.152 11.355 -5.919 1.00 4.30 H new ATOM 0 HZ2 LYS A 3 8.725 10.282 -4.734 1.00 4.30 H new ATOM 0 HZ3 LYS A 3 9.773 11.431 -5.416 1.00 4.30 H new ATOM 56 N LEU A 4 9.102 3.539 -5.477 1.00 0.92 N ATOM 57 CA LEU A 4 9.371 2.275 -6.142 1.00 0.59 C ATOM 58 C LEU A 4 9.317 2.479 -7.658 1.00 0.53 C ATOM 59 O LEU A 4 8.988 3.566 -8.131 1.00 0.55 O ATOM 60 CB LEU A 4 8.420 1.190 -5.634 1.00 0.78 C ATOM 61 CG LEU A 4 6.977 1.273 -6.137 1.00 0.47 C ATOM 62 CD1 LEU A 4 6.519 2.728 -6.251 1.00 0.62 C ATOM 63 CD2 LEU A 4 6.812 0.514 -7.456 1.00 0.53 C ATOM 0 H LEU A 4 8.229 3.567 -4.950 1.00 0.92 H new ATOM 0 HA LEU A 4 10.375 1.925 -5.903 1.00 0.59 H new ATOM 0 HB2 LEU A 4 8.826 0.218 -5.915 1.00 0.78 H new ATOM 0 HB3 LEU A 4 8.407 1.227 -4.545 1.00 0.78 H new ATOM 0 HG LEU A 4 6.331 0.789 -5.404 1.00 0.47 H new ATOM 0 HD11 LEU A 4 5.490 2.759 -6.610 1.00 0.62 H new ATOM 0 HD12 LEU A 4 6.576 3.205 -5.273 1.00 0.62 H new ATOM 0 HD13 LEU A 4 7.164 3.259 -6.951 1.00 0.62 H new ATOM 0 HD21 LEU A 4 5.778 0.589 -7.792 1.00 0.53 H new ATOM 0 HD22 LEU A 4 7.470 0.947 -8.209 1.00 0.53 H new ATOM 0 HD23 LEU A 4 7.070 -0.534 -7.307 1.00 0.53 H new ATOM 75 N VAL A 5 9.647 1.417 -8.378 1.00 0.50 N ATOM 76 CA VAL A 5 9.640 1.465 -9.830 1.00 0.49 C ATOM 77 C VAL A 5 8.244 1.859 -10.316 1.00 0.44 C ATOM 78 O VAL A 5 8.000 3.020 -10.640 1.00 0.49 O ATOM 79 CB VAL A 5 10.117 0.128 -10.400 1.00 0.54 C ATOM 80 CG1 VAL A 5 10.082 0.141 -11.930 1.00 0.66 C ATOM 81 CG2 VAL A 5 11.516 -0.219 -9.887 1.00 0.66 C ATOM 0 H VAL A 5 9.921 0.518 -7.983 1.00 0.50 H new ATOM 0 HA VAL A 5 10.335 2.223 -10.191 1.00 0.49 H new ATOM 0 HB VAL A 5 9.432 -0.647 -10.055 1.00 0.54 H new ATOM 0 HG11 VAL A 5 10.426 -0.821 -12.310 1.00 0.66 H new ATOM 0 HG12 VAL A 5 9.062 0.322 -12.269 1.00 0.66 H new ATOM 0 HG13 VAL A 5 10.733 0.932 -12.302 1.00 0.66 H new ATOM 0 HG21 VAL A 5 11.831 -1.174 -10.307 1.00 0.66 H new ATOM 0 HG22 VAL A 5 12.217 0.559 -10.188 1.00 0.66 H new ATOM 0 HG23 VAL A 5 11.498 -0.290 -8.799 1.00 0.66 H new ATOM 91 N SER A 6 7.364 0.869 -10.353 1.00 0.41 N ATOM 92 CA SER A 6 5.999 1.097 -10.794 1.00 0.40 C ATOM 93 C SER A 6 5.028 0.281 -9.938 1.00 0.36 C ATOM 94 O SER A 6 5.351 -0.826 -9.512 1.00 0.36 O ATOM 95 CB SER A 6 5.832 0.741 -12.273 1.00 0.46 C ATOM 96 OG SER A 6 7.049 0.888 -12.998 1.00 0.62 O ATOM 0 H SER A 6 7.570 -0.093 -10.085 1.00 0.41 H new ATOM 0 HA SER A 6 5.774 2.157 -10.675 1.00 0.40 H new ATOM 0 HB2 SER A 6 5.480 -0.287 -12.361 1.00 0.46 H new ATOM 0 HB3 SER A 6 5.067 1.379 -12.715 1.00 0.46 H new ATOM 0 HG SER A 6 6.901 0.650 -13.937 1.00 0.62 H new ATOM 102 N SER A 7 3.858 0.860 -9.711 1.00 0.33 N ATOM 103 CA SER A 7 2.839 0.200 -8.914 1.00 0.31 C ATOM 104 C SER A 7 1.456 0.746 -9.277 1.00 0.30 C ATOM 105 O SER A 7 1.345 1.804 -9.894 1.00 0.31 O ATOM 106 CB SER A 7 3.105 0.383 -7.419 1.00 0.31 C ATOM 107 OG SER A 7 3.235 1.757 -7.064 1.00 0.37 O ATOM 0 H SER A 7 3.593 1.779 -10.065 1.00 0.33 H new ATOM 0 HA SER A 7 2.871 -0.867 -9.134 1.00 0.31 H new ATOM 0 HB2 SER A 7 2.290 -0.063 -6.849 1.00 0.31 H new ATOM 0 HB3 SER A 7 4.015 -0.150 -7.145 1.00 0.31 H new ATOM 0 HG SER A 7 3.402 1.832 -6.101 1.00 0.37 H new ATOM 113 N THR A 8 0.438 -0.002 -8.879 1.00 0.30 N ATOM 114 CA THR A 8 -0.934 0.394 -9.155 1.00 0.31 C ATOM 115 C THR A 8 -1.821 0.124 -7.938 1.00 0.31 C ATOM 116 O THR A 8 -2.787 -0.633 -8.025 1.00 0.35 O ATOM 117 CB THR A 8 -1.392 -0.340 -10.417 1.00 0.36 C ATOM 118 OG1 THR A 8 -0.900 0.464 -11.484 1.00 0.75 O ATOM 119 CG2 THR A 8 -2.912 -0.306 -10.594 1.00 0.67 C ATOM 0 H THR A 8 0.535 -0.879 -8.368 1.00 0.30 H new ATOM 0 HA THR A 8 -1.008 1.466 -9.340 1.00 0.31 H new ATOM 0 HB THR A 8 -1.054 -1.376 -10.378 1.00 0.36 H new ATOM 0 HG1 THR A 8 -1.151 0.060 -12.341 1.00 0.75 H new ATOM 0 HG21 THR A 8 -3.184 -0.841 -11.504 1.00 0.67 H new ATOM 0 HG22 THR A 8 -3.389 -0.782 -9.737 1.00 0.67 H new ATOM 0 HG23 THR A 8 -3.247 0.729 -10.667 1.00 0.67 H new ATOM 127 N PRO A 9 -1.453 0.775 -6.802 1.00 0.30 N ATOM 128 CA PRO A 9 -2.205 0.612 -5.570 1.00 0.33 C ATOM 129 C PRO A 9 -3.523 1.386 -5.626 1.00 0.35 C ATOM 130 O PRO A 9 -4.597 0.787 -5.680 1.00 0.43 O ATOM 131 CB PRO A 9 -1.274 1.104 -4.473 1.00 0.33 C ATOM 132 CG PRO A 9 -0.221 1.951 -5.169 1.00 0.30 C ATOM 133 CD PRO A 9 -0.314 1.677 -6.661 1.00 0.28 C ATOM 0 HA PRO A 9 -2.500 -0.422 -5.391 1.00 0.33 H new ATOM 0 HB2 PRO A 9 -1.819 1.689 -3.732 1.00 0.33 H new ATOM 0 HB3 PRO A 9 -0.816 0.268 -3.945 1.00 0.33 H new ATOM 0 HG2 PRO A 9 -0.386 3.009 -4.964 1.00 0.30 H new ATOM 0 HG3 PRO A 9 0.774 1.705 -4.797 1.00 0.30 H new ATOM 0 HD2 PRO A 9 -0.466 2.598 -7.224 1.00 0.28 H new ATOM 0 HD3 PRO A 9 0.601 1.221 -7.038 1.00 0.28 H new ATOM 141 N ALA A 10 -3.399 2.705 -5.611 1.00 0.36 N ATOM 142 CA ALA A 10 -4.568 3.567 -5.659 1.00 0.40 C ATOM 143 C ALA A 10 -4.118 5.029 -5.671 1.00 0.37 C ATOM 144 O ALA A 10 -4.671 5.859 -4.951 1.00 0.36 O ATOM 145 CB ALA A 10 -5.487 3.249 -4.478 1.00 0.43 C ATOM 0 H ALA A 10 -2.507 3.198 -5.566 1.00 0.36 H new ATOM 0 HA ALA A 10 -5.138 3.390 -6.571 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -6.364 3.896 -4.515 1.00 0.43 H new ATOM 0 HB2 ALA A 10 -5.802 2.207 -4.533 1.00 0.43 H new ATOM 0 HB3 ALA A 10 -4.951 3.417 -3.544 1.00 0.43 H new ATOM 151 N GLU A 11 -3.118 5.300 -6.496 1.00 0.41 N ATOM 152 CA GLU A 11 -2.586 6.649 -6.610 1.00 0.47 C ATOM 153 C GLU A 11 -3.729 7.662 -6.713 1.00 0.52 C ATOM 154 O GLU A 11 -4.373 7.773 -7.755 1.00 0.60 O ATOM 155 CB GLU A 11 -1.641 6.765 -7.807 1.00 0.58 C ATOM 156 CG GLU A 11 -0.183 6.847 -7.348 1.00 0.63 C ATOM 157 CD GLU A 11 0.725 6.015 -8.256 1.00 1.30 C ATOM 158 OE1 GLU A 11 0.471 5.918 -9.466 1.00 2.07 O ATOM 159 OE2 GLU A 11 1.728 5.460 -7.663 1.00 2.06 O ATOM 0 H GLU A 11 -2.662 4.610 -7.092 1.00 0.41 H new ATOM 0 HA GLU A 11 -2.010 6.870 -5.711 1.00 0.47 H new ATOM 0 HB2 GLU A 11 -1.772 5.904 -8.463 1.00 0.58 H new ATOM 0 HB3 GLU A 11 -1.893 7.651 -8.390 1.00 0.58 H new ATOM 0 HG2 GLU A 11 0.146 7.886 -7.353 1.00 0.63 H new ATOM 0 HG3 GLU A 11 -0.101 6.491 -6.321 1.00 0.63 H new ATOM 166 N GLY A 12 -3.944 8.376 -5.618 1.00 0.51 N ATOM 167 CA GLY A 12 -4.997 9.376 -5.572 1.00 0.57 C ATOM 168 C GLY A 12 -6.281 8.851 -6.216 1.00 0.61 C ATOM 169 O GLY A 12 -7.011 9.604 -6.857 1.00 0.78 O ATOM 0 H GLY A 12 -3.407 8.282 -4.756 1.00 0.51 H new ATOM 0 HA2 GLY A 12 -5.193 9.655 -4.537 1.00 0.57 H new ATOM 0 HA3 GLY A 12 -4.669 10.278 -6.089 1.00 0.57 H new ATOM 173 N SER A 13 -6.518 7.561 -6.021 1.00 0.57 N ATOM 174 CA SER A 13 -7.701 6.926 -6.575 1.00 0.66 C ATOM 175 C SER A 13 -8.950 7.412 -5.837 1.00 0.52 C ATOM 176 O SER A 13 -9.272 6.914 -4.761 1.00 0.47 O ATOM 177 CB SER A 13 -7.596 5.402 -6.495 1.00 0.83 C ATOM 178 OG SER A 13 -7.352 4.815 -7.771 1.00 1.29 O ATOM 0 H SER A 13 -5.911 6.939 -5.487 1.00 0.57 H new ATOM 0 HA SER A 13 -7.778 7.203 -7.626 1.00 0.66 H new ATOM 0 HB2 SER A 13 -6.792 5.130 -5.811 1.00 0.83 H new ATOM 0 HB3 SER A 13 -8.519 4.996 -6.080 1.00 0.83 H new ATOM 0 HG SER A 13 -7.290 3.842 -7.677 1.00 1.29 H new ATOM 184 N GLU A 14 -9.618 8.381 -6.446 1.00 0.55 N ATOM 185 CA GLU A 14 -10.824 8.941 -5.859 1.00 0.58 C ATOM 186 C GLU A 14 -12.055 8.500 -6.655 1.00 0.67 C ATOM 187 O GLU A 14 -12.164 8.787 -7.847 1.00 0.76 O ATOM 188 CB GLU A 14 -10.739 10.466 -5.781 1.00 0.76 C ATOM 189 CG GLU A 14 -9.416 10.910 -5.156 1.00 0.82 C ATOM 190 CD GLU A 14 -9.096 12.360 -5.522 1.00 1.07 C ATOM 191 OE1 GLU A 14 -9.262 12.758 -6.686 1.00 1.87 O ATOM 192 OE2 GLU A 14 -8.661 13.086 -4.548 1.00 1.76 O ATOM 0 H GLU A 14 -9.347 8.792 -7.339 1.00 0.55 H new ATOM 0 HA GLU A 14 -10.919 8.563 -4.841 1.00 0.58 H new ATOM 0 HB2 GLU A 14 -10.834 10.891 -6.780 1.00 0.76 H new ATOM 0 HB3 GLU A 14 -11.571 10.850 -5.191 1.00 0.76 H new ATOM 0 HG2 GLU A 14 -9.470 10.808 -4.072 1.00 0.82 H new ATOM 0 HG3 GLU A 14 -8.612 10.259 -5.498 1.00 0.82 H new ATOM 199 N GLY A 15 -12.950 7.810 -5.965 1.00 0.70 N ATOM 200 CA GLY A 15 -14.169 7.327 -6.593 1.00 0.87 C ATOM 201 C GLY A 15 -14.800 6.201 -5.771 1.00 0.59 C ATOM 202 O GLY A 15 -15.967 6.284 -5.391 1.00 0.53 O ATOM 0 H GLY A 15 -12.856 7.573 -4.977 1.00 0.70 H new ATOM 0 HA2 GLY A 15 -14.879 8.148 -6.697 1.00 0.87 H new ATOM 0 HA3 GLY A 15 -13.947 6.968 -7.598 1.00 0.87 H new ATOM 206 N ALA A 16 -14.001 5.175 -5.521 1.00 0.71 N ATOM 207 CA ALA A 16 -14.466 4.033 -4.751 1.00 0.72 C ATOM 208 C ALA A 16 -13.276 3.132 -4.413 1.00 1.05 C ATOM 209 O ALA A 16 -12.166 3.360 -4.890 1.00 1.67 O ATOM 210 CB ALA A 16 -15.552 3.296 -5.537 1.00 0.95 C ATOM 0 H ALA A 16 -13.034 5.110 -5.838 1.00 0.71 H new ATOM 0 HA ALA A 16 -14.909 4.359 -3.810 1.00 0.72 H new ATOM 0 HB1 ALA A 16 -15.901 2.440 -4.960 1.00 0.95 H new ATOM 0 HB2 ALA A 16 -16.387 3.971 -5.725 1.00 0.95 H new ATOM 0 HB3 ALA A 16 -15.143 2.951 -6.487 1.00 0.95 H new ATOM 216 N ALA A 17 -13.550 2.127 -3.595 1.00 0.81 N ATOM 217 CA ALA A 17 -12.516 1.191 -3.188 1.00 1.07 C ATOM 218 C ALA A 17 -12.096 0.348 -4.393 1.00 0.89 C ATOM 219 O ALA A 17 -12.938 -0.233 -5.075 1.00 0.83 O ATOM 220 CB ALA A 17 -13.031 0.334 -2.028 1.00 1.40 C ATOM 0 H ALA A 17 -14.473 1.940 -3.203 1.00 0.81 H new ATOM 0 HA ALA A 17 -11.633 1.723 -2.834 1.00 1.07 H new ATOM 0 HB1 ALA A 17 -12.256 -0.368 -1.722 1.00 1.40 H new ATOM 0 HB2 ALA A 17 -13.290 0.977 -1.187 1.00 1.40 H new ATOM 0 HB3 ALA A 17 -13.915 -0.218 -2.348 1.00 1.40 H new ATOM 226 N PRO A 18 -10.755 0.306 -4.626 1.00 0.88 N ATOM 227 CA PRO A 18 -10.213 -0.455 -5.737 1.00 0.81 C ATOM 228 C PRO A 18 -10.243 -1.956 -5.439 1.00 0.76 C ATOM 229 O PRO A 18 -10.380 -2.361 -4.286 1.00 1.13 O ATOM 230 CB PRO A 18 -8.805 0.083 -5.932 1.00 0.93 C ATOM 231 CG PRO A 18 -8.447 0.794 -4.638 1.00 1.03 C ATOM 232 CD PRO A 18 -9.728 0.981 -3.839 1.00 1.02 C ATOM 0 HA PRO A 18 -10.798 -0.343 -6.650 1.00 0.81 H new ATOM 0 HB2 PRO A 18 -8.104 -0.725 -6.140 1.00 0.93 H new ATOM 0 HB3 PRO A 18 -8.763 0.768 -6.779 1.00 0.93 H new ATOM 0 HG2 PRO A 18 -7.724 0.210 -4.069 1.00 1.03 H new ATOM 0 HG3 PRO A 18 -7.984 1.758 -4.848 1.00 1.03 H new ATOM 0 HD2 PRO A 18 -9.641 0.545 -2.844 1.00 1.02 H new ATOM 0 HD3 PRO A 18 -9.961 2.037 -3.706 1.00 1.02 H new ATOM 240 N ALA A 19 -10.111 -2.740 -6.499 1.00 0.70 N ATOM 241 CA ALA A 19 -10.120 -4.187 -6.367 1.00 0.80 C ATOM 242 C ALA A 19 -8.978 -4.618 -5.445 1.00 0.65 C ATOM 243 O ALA A 19 -9.215 -5.157 -4.365 1.00 0.64 O ATOM 244 CB ALA A 19 -10.025 -4.828 -7.752 1.00 1.01 C ATOM 0 H ALA A 19 -9.997 -2.400 -7.454 1.00 0.70 H new ATOM 0 HA ALA A 19 -11.053 -4.525 -5.916 1.00 0.80 H new ATOM 0 HB1 ALA A 19 -10.032 -5.913 -7.652 1.00 1.01 H new ATOM 0 HB2 ALA A 19 -10.875 -4.514 -8.357 1.00 1.01 H new ATOM 0 HB3 ALA A 19 -9.100 -4.514 -8.236 1.00 1.01 H new ATOM 250 N LYS A 20 -7.761 -4.364 -5.905 1.00 0.57 N ATOM 251 CA LYS A 20 -6.580 -4.719 -5.137 1.00 0.46 C ATOM 252 C LYS A 20 -5.427 -3.792 -5.524 1.00 0.42 C ATOM 253 O LYS A 20 -5.419 -3.228 -6.617 1.00 0.52 O ATOM 254 CB LYS A 20 -6.259 -6.205 -5.305 1.00 0.48 C ATOM 255 CG LYS A 20 -5.949 -6.537 -6.766 1.00 0.58 C ATOM 256 CD LYS A 20 -5.216 -7.875 -6.882 1.00 1.79 C ATOM 257 CE LYS A 20 -6.180 -8.995 -7.278 1.00 2.23 C ATOM 258 NZ LYS A 20 -6.037 -9.317 -8.715 1.00 2.53 N ATOM 0 H LYS A 20 -7.568 -3.916 -6.801 1.00 0.57 H new ATOM 0 HA LYS A 20 -6.760 -4.574 -4.072 1.00 0.46 H new ATOM 0 HB2 LYS A 20 -5.407 -6.470 -4.679 1.00 0.48 H new ATOM 0 HB3 LYS A 20 -7.103 -6.804 -4.963 1.00 0.48 H new ATOM 0 HG2 LYS A 20 -6.876 -6.576 -7.338 1.00 0.58 H new ATOM 0 HG3 LYS A 20 -5.339 -5.745 -7.201 1.00 0.58 H new ATOM 0 HD2 LYS A 20 -4.421 -7.795 -7.624 1.00 1.79 H new ATOM 0 HD3 LYS A 20 -4.742 -8.118 -5.931 1.00 1.79 H new ATOM 0 HE2 LYS A 20 -5.981 -9.883 -6.679 1.00 2.23 H new ATOM 0 HE3 LYS A 20 -7.206 -8.692 -7.067 1.00 2.23 H new ATOM 0 HZ1 LYS A 20 -6.698 -10.079 -8.967 1.00 2.53 H new ATOM 0 HZ2 LYS A 20 -6.249 -8.472 -9.283 1.00 2.53 H new ATOM 0 HZ3 LYS A 20 -5.063 -9.627 -8.906 1.00 2.53 H new ATOM 272 N ILE A 21 -4.480 -3.662 -4.606 1.00 0.34 N ATOM 273 CA ILE A 21 -3.325 -2.813 -4.838 1.00 0.33 C ATOM 274 C ILE A 21 -2.261 -3.605 -5.603 1.00 0.33 C ATOM 275 O ILE A 21 -2.047 -4.785 -5.332 1.00 0.32 O ATOM 276 CB ILE A 21 -2.822 -2.221 -3.520 1.00 0.34 C ATOM 277 CG1 ILE A 21 -3.549 -0.915 -3.192 1.00 0.36 C ATOM 278 CG2 ILE A 21 -1.302 -2.042 -3.544 1.00 0.36 C ATOM 279 CD1 ILE A 21 -4.409 -1.067 -1.937 1.00 0.42 C ATOM 0 H ILE A 21 -4.490 -4.131 -3.700 1.00 0.34 H new ATOM 0 HA ILE A 21 -3.597 -1.960 -5.460 1.00 0.33 H new ATOM 0 HB ILE A 21 -3.050 -2.925 -2.720 1.00 0.34 H new ATOM 0 HG12 ILE A 21 -2.822 -0.117 -3.044 1.00 0.36 H new ATOM 0 HG13 ILE A 21 -4.176 -0.623 -4.034 1.00 0.36 H new ATOM 0 HG21 ILE A 21 -0.970 -1.620 -2.595 1.00 0.36 H new ATOM 0 HG22 ILE A 21 -0.824 -3.010 -3.697 1.00 0.36 H new ATOM 0 HG23 ILE A 21 -1.028 -1.369 -4.356 1.00 0.36 H new ATOM 0 HD11 ILE A 21 -4.915 -0.125 -1.726 1.00 0.42 H new ATOM 0 HD12 ILE A 21 -5.151 -1.849 -2.097 1.00 0.42 H new ATOM 0 HD13 ILE A 21 -3.775 -1.336 -1.092 1.00 0.42 H new ATOM 291 N GLU A 22 -1.623 -2.922 -6.541 1.00 0.35 N ATOM 292 CA GLU A 22 -0.586 -3.545 -7.347 1.00 0.36 C ATOM 293 C GLU A 22 0.760 -2.860 -7.104 1.00 0.34 C ATOM 294 O GLU A 22 0.810 -1.658 -6.845 1.00 0.32 O ATOM 295 CB GLU A 22 -0.955 -3.520 -8.832 1.00 0.38 C ATOM 296 CG GLU A 22 -0.933 -4.929 -9.427 1.00 0.44 C ATOM 297 CD GLU A 22 -0.930 -4.878 -10.956 1.00 0.84 C ATOM 298 OE1 GLU A 22 0.029 -4.189 -11.476 1.00 2.14 O ATOM 299 OE2 GLU A 22 -1.807 -5.474 -11.598 1.00 2.29 O ATOM 0 H GLU A 22 -1.804 -1.943 -6.762 1.00 0.35 H new ATOM 0 HA GLU A 22 -0.499 -4.589 -7.046 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -1.946 -3.084 -8.957 1.00 0.38 H new ATOM 0 HB3 GLU A 22 -0.256 -2.882 -9.373 1.00 0.38 H new ATOM 0 HG2 GLU A 22 -0.050 -5.462 -9.076 1.00 0.44 H new ATOM 0 HG3 GLU A 22 -1.802 -5.488 -9.080 1.00 0.44 H new ATOM 306 N LEU A 23 1.817 -3.653 -7.198 1.00 0.36 N ATOM 307 CA LEU A 23 3.160 -3.137 -6.992 1.00 0.36 C ATOM 308 C LEU A 23 4.139 -3.906 -7.882 1.00 0.39 C ATOM 309 O LEU A 23 3.966 -5.101 -8.112 1.00 0.41 O ATOM 310 CB LEU A 23 3.524 -3.168 -5.507 1.00 0.39 C ATOM 311 CG LEU A 23 2.556 -2.452 -4.564 1.00 0.37 C ATOM 312 CD1 LEU A 23 2.656 -3.013 -3.145 1.00 0.43 C ATOM 313 CD2 LEU A 23 2.775 -0.938 -4.598 1.00 0.36 C ATOM 0 H LEU A 23 1.771 -4.649 -7.414 1.00 0.36 H new ATOM 0 HA LEU A 23 3.215 -2.089 -7.288 1.00 0.36 H new ATOM 0 HB2 LEU A 23 3.601 -4.209 -5.194 1.00 0.39 H new ATOM 0 HB3 LEU A 23 4.512 -2.725 -5.386 1.00 0.39 H new ATOM 0 HG LEU A 23 1.540 -2.638 -4.913 1.00 0.37 H new ATOM 0 HD11 LEU A 23 1.957 -2.486 -2.495 1.00 0.43 H new ATOM 0 HD12 LEU A 23 2.411 -4.075 -3.156 1.00 0.43 H new ATOM 0 HD13 LEU A 23 3.671 -2.878 -2.771 1.00 0.43 H new ATOM 0 HD21 LEU A 23 2.074 -0.454 -3.919 1.00 0.36 H new ATOM 0 HD22 LEU A 23 3.795 -0.711 -4.289 1.00 0.36 H new ATOM 0 HD23 LEU A 23 2.612 -0.569 -5.611 1.00 0.36 H new ATOM 325 N HIS A 24 5.145 -3.187 -8.359 1.00 0.40 N ATOM 326 CA HIS A 24 6.152 -3.788 -9.218 1.00 0.45 C ATOM 327 C HIS A 24 7.534 -3.252 -8.840 1.00 0.45 C ATOM 328 O HIS A 24 7.649 -2.172 -8.262 1.00 0.44 O ATOM 329 CB HIS A 24 5.811 -3.564 -10.693 1.00 0.46 C ATOM 330 CG HIS A 24 4.780 -4.523 -11.238 1.00 0.52 C ATOM 331 ND1 HIS A 24 5.107 -5.772 -11.736 1.00 0.62 N ATOM 332 CD2 HIS A 24 3.426 -4.405 -11.355 1.00 0.57 C ATOM 333 CE1 HIS A 24 3.993 -6.368 -12.134 1.00 0.67 C ATOM 334 NE2 HIS A 24 2.953 -5.520 -11.898 1.00 0.63 N ATOM 0 H HIS A 24 5.284 -2.195 -8.167 1.00 0.40 H new ATOM 0 HA HIS A 24 6.166 -4.868 -9.069 1.00 0.45 H new ATOM 0 HB2 HIS A 24 5.447 -2.545 -10.820 1.00 0.46 H new ATOM 0 HB3 HIS A 24 6.723 -3.653 -11.284 1.00 0.46 H new ATOM 0 HD2 HIS A 24 2.838 -3.549 -11.056 1.00 0.57 H new ATOM 0 HE1 HIS A 24 3.922 -7.354 -12.569 1.00 0.67 H new ATOM 0 HE2 HIS A 24 1.972 -5.711 -12.105 1.00 0.63 H new ATOM 342 N PHE A 25 8.549 -4.030 -9.184 1.00 0.53 N ATOM 343 CA PHE A 25 9.920 -3.648 -8.888 1.00 0.57 C ATOM 344 C PHE A 25 10.896 -4.305 -9.866 1.00 0.65 C ATOM 345 O PHE A 25 11.032 -5.527 -9.886 1.00 0.87 O ATOM 346 CB PHE A 25 10.226 -4.140 -7.473 1.00 0.63 C ATOM 347 CG PHE A 25 9.333 -3.526 -6.392 1.00 0.62 C ATOM 348 CD1 PHE A 25 8.161 -4.128 -6.056 1.00 2.08 C ATOM 349 CD2 PHE A 25 9.711 -2.377 -5.771 1.00 1.63 C ATOM 350 CE1 PHE A 25 7.333 -3.558 -5.054 1.00 2.40 C ATOM 351 CE2 PHE A 25 8.881 -1.806 -4.769 1.00 1.64 C ATOM 352 CZ PHE A 25 7.709 -2.409 -4.431 1.00 1.36 C ATOM 0 H PHE A 25 8.450 -4.924 -9.665 1.00 0.53 H new ATOM 0 HA PHE A 25 10.032 -2.567 -8.976 1.00 0.57 H new ATOM 0 HB2 PHE A 25 10.118 -5.224 -7.446 1.00 0.63 H new ATOM 0 HB3 PHE A 25 11.267 -3.917 -7.239 1.00 0.63 H new ATOM 0 HD1 PHE A 25 7.860 -5.039 -6.551 1.00 2.08 H new ATOM 0 HD2 PHE A 25 10.641 -1.899 -6.039 1.00 1.63 H new ATOM 0 HE1 PHE A 25 6.403 -4.037 -4.786 1.00 2.40 H new ATOM 0 HE2 PHE A 25 9.180 -0.893 -4.276 1.00 1.64 H new ATOM 0 HZ PHE A 25 7.078 -1.976 -3.669 1.00 1.36 H new ATOM 362 N SER A 26 11.549 -3.464 -10.655 1.00 0.64 N ATOM 363 CA SER A 26 12.508 -3.948 -11.633 1.00 0.73 C ATOM 364 C SER A 26 13.748 -4.496 -10.924 1.00 0.78 C ATOM 365 O SER A 26 14.589 -5.144 -11.546 1.00 0.89 O ATOM 366 CB SER A 26 12.903 -2.840 -12.612 1.00 0.95 C ATOM 367 OG SER A 26 12.682 -3.221 -13.967 1.00 1.50 O ATOM 0 H SER A 26 11.433 -2.451 -10.637 1.00 0.64 H new ATOM 0 HA SER A 26 12.039 -4.750 -12.203 1.00 0.73 H new ATOM 0 HB2 SER A 26 12.330 -1.939 -12.391 1.00 0.95 H new ATOM 0 HB3 SER A 26 13.955 -2.591 -12.472 1.00 0.95 H new ATOM 0 HG SER A 26 12.945 -2.487 -14.560 1.00 1.50 H new ATOM 373 N GLU A 27 13.823 -4.217 -9.631 1.00 0.84 N ATOM 374 CA GLU A 27 14.946 -4.674 -8.831 1.00 1.10 C ATOM 375 C GLU A 27 14.479 -5.705 -7.801 1.00 1.18 C ATOM 376 O GLU A 27 13.356 -5.627 -7.304 1.00 2.28 O ATOM 377 CB GLU A 27 15.647 -3.498 -8.148 1.00 1.52 C ATOM 378 CG GLU A 27 17.042 -3.898 -7.661 1.00 2.58 C ATOM 379 CD GLU A 27 17.818 -2.680 -7.159 1.00 3.30 C ATOM 380 OE1 GLU A 27 17.594 -1.590 -7.729 1.00 3.67 O ATOM 381 OE2 GLU A 27 18.619 -2.866 -6.217 1.00 4.24 O ATOM 0 H GLU A 27 13.124 -3.680 -9.118 1.00 0.84 H new ATOM 0 HA GLU A 27 15.668 -5.151 -9.493 1.00 1.10 H new ATOM 0 HB2 GLU A 27 15.727 -2.663 -8.845 1.00 1.52 H new ATOM 0 HB3 GLU A 27 15.049 -3.153 -7.305 1.00 1.52 H new ATOM 0 HG2 GLU A 27 16.955 -4.633 -6.861 1.00 2.58 H new ATOM 0 HG3 GLU A 27 17.592 -4.374 -8.473 1.00 2.58 H new ATOM 388 N ASN A 28 15.364 -6.648 -7.512 1.00 2.09 N ATOM 389 CA ASN A 28 15.057 -7.694 -6.551 1.00 2.53 C ATOM 390 C ASN A 28 14.293 -7.089 -5.372 1.00 1.49 C ATOM 391 O ASN A 28 14.659 -6.026 -4.870 1.00 1.95 O ATOM 392 CB ASN A 28 16.334 -8.336 -6.008 1.00 4.26 C ATOM 393 CG ASN A 28 16.033 -9.212 -4.791 1.00 4.50 C ATOM 394 OD1 ASN A 28 16.669 -9.118 -3.753 1.00 5.31 O ATOM 395 ND2 ASN A 28 15.031 -10.067 -4.973 1.00 3.93 N ATOM 0 H ASN A 28 16.294 -6.709 -7.927 1.00 2.09 H new ATOM 0 HA ASN A 28 14.460 -8.452 -7.058 1.00 2.53 H new ATOM 0 HB2 ASN A 28 16.802 -8.938 -6.787 1.00 4.26 H new ATOM 0 HB3 ASN A 28 17.048 -7.559 -5.734 1.00 4.26 H new ATOM 0 HD21 ASN A 28 14.753 -10.695 -4.219 1.00 3.93 H new ATOM 0 HD22 ASN A 28 14.540 -10.095 -5.867 1.00 3.93 H new ATOM 402 N LEU A 29 13.246 -7.789 -4.962 1.00 1.35 N ATOM 403 CA LEU A 29 12.429 -7.334 -3.851 1.00 2.48 C ATOM 404 C LEU A 29 12.468 -8.378 -2.734 1.00 2.08 C ATOM 405 O LEU A 29 11.484 -9.077 -2.497 1.00 3.38 O ATOM 406 CB LEU A 29 11.015 -6.998 -4.329 1.00 4.18 C ATOM 407 CG LEU A 29 10.431 -5.677 -3.820 1.00 5.87 C ATOM 408 CD1 LEU A 29 9.911 -5.823 -2.389 1.00 7.30 C ATOM 409 CD2 LEU A 29 11.450 -4.543 -3.947 1.00 6.13 C ATOM 0 H LEU A 29 12.945 -8.669 -5.380 1.00 1.35 H new ATOM 0 HA LEU A 29 12.830 -6.409 -3.437 1.00 2.48 H new ATOM 0 HB2 LEU A 29 11.017 -6.976 -5.419 1.00 4.18 H new ATOM 0 HB3 LEU A 29 10.349 -7.807 -4.028 1.00 4.18 H new ATOM 0 HG LEU A 29 9.578 -5.416 -4.447 1.00 5.87 H new ATOM 0 HD11 LEU A 29 9.502 -4.871 -2.052 1.00 7.30 H new ATOM 0 HD12 LEU A 29 9.131 -6.584 -2.361 1.00 7.30 H new ATOM 0 HD13 LEU A 29 10.730 -6.119 -1.733 1.00 7.30 H new ATOM 0 HD21 LEU A 29 11.010 -3.616 -3.579 1.00 6.13 H new ATOM 0 HD22 LEU A 29 12.336 -4.783 -3.360 1.00 6.13 H new ATOM 0 HD23 LEU A 29 11.730 -4.421 -4.993 1.00 6.13 H new ATOM 421 N VAL A 30 13.616 -8.451 -2.076 1.00 1.77 N ATOM 422 CA VAL A 30 13.796 -9.399 -0.988 1.00 1.83 C ATOM 423 C VAL A 30 12.817 -9.066 0.140 1.00 1.68 C ATOM 424 O VAL A 30 12.572 -7.895 0.428 1.00 2.44 O ATOM 425 CB VAL A 30 15.256 -9.400 -0.533 1.00 3.07 C ATOM 426 CG1 VAL A 30 15.354 -9.465 0.993 1.00 3.25 C ATOM 427 CG2 VAL A 30 16.032 -10.548 -1.181 1.00 4.37 C ATOM 0 H VAL A 30 14.430 -7.870 -2.275 1.00 1.77 H new ATOM 0 HA VAL A 30 13.573 -10.412 -1.322 1.00 1.83 H new ATOM 0 HB VAL A 30 15.709 -8.464 -0.859 1.00 3.07 H new ATOM 0 HG11 VAL A 30 16.403 -9.464 1.291 1.00 3.25 H new ATOM 0 HG12 VAL A 30 14.853 -8.600 1.427 1.00 3.25 H new ATOM 0 HG13 VAL A 30 14.876 -10.377 1.350 1.00 3.25 H new ATOM 0 HG21 VAL A 30 17.067 -10.525 -0.840 1.00 4.37 H new ATOM 0 HG22 VAL A 30 15.578 -11.498 -0.900 1.00 4.37 H new ATOM 0 HG23 VAL A 30 16.004 -10.439 -2.265 1.00 4.37 H new ATOM 437 N THR A 31 12.286 -10.116 0.748 1.00 1.73 N ATOM 438 CA THR A 31 11.339 -9.950 1.838 1.00 2.54 C ATOM 439 C THR A 31 12.074 -9.909 3.179 1.00 2.57 C ATOM 440 O THR A 31 11.934 -10.820 3.995 1.00 3.42 O ATOM 441 CB THR A 31 10.307 -11.074 1.744 1.00 3.43 C ATOM 442 OG1 THR A 31 9.336 -10.739 2.732 1.00 4.43 O ATOM 443 CG2 THR A 31 10.863 -12.421 2.211 1.00 3.70 C ATOM 0 H THR A 31 12.493 -11.085 0.507 1.00 1.73 H new ATOM 0 HA THR A 31 10.811 -8.999 1.763 1.00 2.54 H new ATOM 0 HB THR A 31 9.960 -11.161 0.714 1.00 3.43 H new ATOM 0 HG1 THR A 31 8.628 -11.416 2.738 1.00 4.43 H new ATOM 0 HG21 THR A 31 10.089 -13.184 2.124 1.00 3.70 H new ATOM 0 HG22 THR A 31 11.716 -12.697 1.592 1.00 3.70 H new ATOM 0 HG23 THR A 31 11.180 -12.343 3.251 1.00 3.70 H new ATOM 451 N GLN A 32 12.839 -8.844 3.367 1.00 2.00 N ATOM 452 CA GLN A 32 13.595 -8.673 4.596 1.00 2.24 C ATOM 453 C GLN A 32 12.981 -7.561 5.448 1.00 1.98 C ATOM 454 O GLN A 32 12.671 -7.769 6.619 1.00 2.54 O ATOM 455 CB GLN A 32 15.068 -8.385 4.298 1.00 2.71 C ATOM 456 CG GLN A 32 15.967 -8.908 5.419 1.00 3.67 C ATOM 457 CD GLN A 32 16.426 -10.338 5.133 1.00 4.26 C ATOM 458 OE1 GLN A 32 17.431 -10.578 4.485 1.00 4.78 O ATOM 459 NE2 GLN A 32 15.634 -11.274 5.649 1.00 4.75 N ATOM 0 H GLN A 32 12.952 -8.091 2.689 1.00 2.00 H new ATOM 0 HA GLN A 32 13.547 -9.604 5.161 1.00 2.24 H new ATOM 0 HB2 GLN A 32 15.350 -8.851 3.354 1.00 2.71 H new ATOM 0 HB3 GLN A 32 15.216 -7.312 4.180 1.00 2.71 H new ATOM 0 HG2 GLN A 32 16.836 -8.258 5.526 1.00 3.67 H new ATOM 0 HG3 GLN A 32 15.428 -8.878 6.366 1.00 3.67 H new ATOM 0 HE21 GLN A 32 14.807 -11.005 6.182 1.00 4.75 H new ATOM 0 HE22 GLN A 32 15.854 -12.261 5.512 1.00 4.75 H new ATOM 468 N PHE A 33 12.821 -6.403 4.824 1.00 1.78 N ATOM 469 CA PHE A 33 12.248 -5.257 5.510 1.00 1.95 C ATOM 470 C PHE A 33 11.133 -4.620 4.677 1.00 1.49 C ATOM 471 O PHE A 33 10.768 -3.467 4.901 1.00 1.70 O ATOM 472 CB PHE A 33 13.375 -4.238 5.696 1.00 2.53 C ATOM 473 CG PHE A 33 14.297 -4.540 6.879 1.00 3.15 C ATOM 474 CD1 PHE A 33 13.794 -4.585 8.141 1.00 3.76 C ATOM 475 CD2 PHE A 33 15.622 -4.764 6.667 1.00 3.88 C ATOM 476 CE1 PHE A 33 14.651 -4.867 9.238 1.00 4.32 C ATOM 477 CE2 PHE A 33 16.479 -5.045 7.763 1.00 4.43 C ATOM 478 CZ PHE A 33 15.975 -5.090 9.025 1.00 4.34 C ATOM 0 H PHE A 33 13.078 -6.234 3.852 1.00 1.78 H new ATOM 0 HA PHE A 33 11.820 -5.569 6.463 1.00 1.95 H new ATOM 0 HB2 PHE A 33 13.971 -4.200 4.784 1.00 2.53 H new ATOM 0 HB3 PHE A 33 12.938 -3.249 5.832 1.00 2.53 H new ATOM 0 HD1 PHE A 33 12.742 -4.406 8.310 1.00 3.76 H new ATOM 0 HD2 PHE A 33 16.022 -4.728 5.664 1.00 3.88 H new ATOM 0 HE1 PHE A 33 14.251 -4.904 10.241 1.00 4.32 H new ATOM 0 HE2 PHE A 33 17.531 -5.223 7.595 1.00 4.43 H new ATOM 0 HZ PHE A 33 16.627 -5.303 9.859 1.00 4.34 H new ATOM 488 N SER A 34 10.624 -5.399 3.735 1.00 1.06 N ATOM 489 CA SER A 34 9.559 -4.925 2.868 1.00 0.72 C ATOM 490 C SER A 34 8.198 -5.217 3.504 1.00 0.79 C ATOM 491 O SER A 34 8.113 -5.948 4.489 1.00 1.41 O ATOM 492 CB SER A 34 9.647 -5.572 1.483 1.00 0.76 C ATOM 493 OG SER A 34 9.692 -6.994 1.560 1.00 2.08 O ATOM 0 H SER A 34 10.929 -6.355 3.553 1.00 1.06 H new ATOM 0 HA SER A 34 9.672 -3.848 2.744 1.00 0.72 H new ATOM 0 HB2 SER A 34 8.787 -5.268 0.886 1.00 0.76 H new ATOM 0 HB3 SER A 34 10.537 -5.208 0.969 1.00 0.76 H new ATOM 0 HG SER A 34 9.746 -7.369 0.656 1.00 2.08 H new ATOM 499 N GLY A 35 7.167 -4.631 2.913 1.00 0.53 N ATOM 500 CA GLY A 35 5.814 -4.818 3.410 1.00 0.66 C ATOM 501 C GLY A 35 4.985 -3.544 3.237 1.00 0.63 C ATOM 502 O GLY A 35 5.536 -2.461 3.048 1.00 0.89 O ATOM 0 H GLY A 35 7.241 -4.027 2.095 1.00 0.53 H new ATOM 0 HA2 GLY A 35 5.338 -5.641 2.877 1.00 0.66 H new ATOM 0 HA3 GLY A 35 5.845 -5.096 4.464 1.00 0.66 H new ATOM 506 N ALA A 36 3.673 -3.716 3.309 1.00 0.50 N ATOM 507 CA ALA A 36 2.762 -2.594 3.162 1.00 0.50 C ATOM 508 C ALA A 36 1.650 -2.705 4.207 1.00 0.51 C ATOM 509 O ALA A 36 1.408 -3.783 4.748 1.00 0.60 O ATOM 510 CB ALA A 36 2.218 -2.560 1.733 1.00 0.62 C ATOM 0 H ALA A 36 3.219 -4.616 3.467 1.00 0.50 H new ATOM 0 HA ALA A 36 3.283 -1.652 3.334 1.00 0.50 H new ATOM 0 HB1 ALA A 36 1.535 -1.718 1.624 1.00 0.62 H new ATOM 0 HB2 ALA A 36 3.045 -2.450 1.031 1.00 0.62 H new ATOM 0 HB3 ALA A 36 1.686 -3.488 1.524 1.00 0.62 H new ATOM 516 N LYS A 37 1.004 -1.576 4.459 1.00 0.47 N ATOM 517 CA LYS A 37 -0.077 -1.534 5.429 1.00 0.52 C ATOM 518 C LYS A 37 -1.020 -0.378 5.087 1.00 0.48 C ATOM 519 O LYS A 37 -0.582 0.762 4.946 1.00 0.44 O ATOM 520 CB LYS A 37 0.482 -1.471 6.851 1.00 0.57 C ATOM 521 CG LYS A 37 0.585 -2.869 7.464 1.00 0.72 C ATOM 522 CD LYS A 37 0.691 -2.795 8.988 1.00 1.18 C ATOM 523 CE LYS A 37 2.130 -3.035 9.450 1.00 1.99 C ATOM 524 NZ LYS A 37 2.755 -1.764 9.881 1.00 3.37 N ATOM 0 H LYS A 37 1.208 -0.684 4.009 1.00 0.47 H new ATOM 0 HA LYS A 37 -0.666 -2.450 5.383 1.00 0.52 H new ATOM 0 HB2 LYS A 37 1.466 -1.003 6.838 1.00 0.57 H new ATOM 0 HB3 LYS A 37 -0.161 -0.845 7.470 1.00 0.57 H new ATOM 0 HG2 LYS A 37 -0.289 -3.457 7.185 1.00 0.72 H new ATOM 0 HG3 LYS A 37 1.457 -3.383 7.060 1.00 0.72 H new ATOM 0 HD2 LYS A 37 0.353 -1.818 9.333 1.00 1.18 H new ATOM 0 HD3 LYS A 37 0.032 -3.537 9.438 1.00 1.18 H new ATOM 0 HE2 LYS A 37 2.140 -3.749 10.273 1.00 1.99 H new ATOM 0 HE3 LYS A 37 2.710 -3.476 8.639 1.00 1.99 H new ATOM 0 HZ1 LYS A 37 3.731 -1.945 10.191 1.00 3.37 H new ATOM 0 HZ2 LYS A 37 2.763 -1.094 9.086 1.00 3.37 H new ATOM 0 HZ3 LYS A 37 2.211 -1.359 10.669 1.00 3.37 H new ATOM 538 N LEU A 38 -2.295 -0.714 4.963 1.00 0.51 N ATOM 539 CA LEU A 38 -3.303 0.282 4.639 1.00 0.51 C ATOM 540 C LEU A 38 -3.918 0.818 5.934 1.00 0.50 C ATOM 541 O LEU A 38 -4.137 0.064 6.880 1.00 0.55 O ATOM 542 CB LEU A 38 -4.331 -0.293 3.663 1.00 0.58 C ATOM 543 CG LEU A 38 -5.573 0.565 3.415 1.00 0.63 C ATOM 544 CD1 LEU A 38 -5.187 2.004 3.072 1.00 0.65 C ATOM 545 CD2 LEU A 38 -6.466 -0.061 2.341 1.00 0.79 C ATOM 0 H LEU A 38 -2.654 -1.662 5.081 1.00 0.51 H new ATOM 0 HA LEU A 38 -2.849 1.130 4.125 1.00 0.51 H new ATOM 0 HB2 LEU A 38 -3.837 -0.467 2.707 1.00 0.58 H new ATOM 0 HB3 LEU A 38 -4.654 -1.265 4.037 1.00 0.58 H new ATOM 0 HG LEU A 38 -6.153 0.600 4.337 1.00 0.63 H new ATOM 0 HD11 LEU A 38 -6.089 2.592 2.901 1.00 0.65 H new ATOM 0 HD12 LEU A 38 -4.624 2.437 3.899 1.00 0.65 H new ATOM 0 HD13 LEU A 38 -4.573 2.011 2.172 1.00 0.65 H new ATOM 0 HD21 LEU A 38 -7.342 0.569 2.184 1.00 0.79 H new ATOM 0 HD22 LEU A 38 -5.908 -0.146 1.408 1.00 0.79 H new ATOM 0 HD23 LEU A 38 -6.785 -1.052 2.665 1.00 0.79 H new ATOM 557 N VAL A 39 -4.179 2.117 5.934 1.00 0.51 N ATOM 558 CA VAL A 39 -4.763 2.763 7.097 1.00 0.52 C ATOM 559 C VAL A 39 -5.875 3.712 6.642 1.00 0.50 C ATOM 560 O VAL A 39 -5.713 4.439 5.663 1.00 0.51 O ATOM 561 CB VAL A 39 -3.673 3.465 7.910 1.00 0.56 C ATOM 562 CG1 VAL A 39 -2.497 2.523 8.176 1.00 0.60 C ATOM 563 CG2 VAL A 39 -3.206 4.744 7.211 1.00 0.61 C ATOM 0 H VAL A 39 -3.997 2.740 5.147 1.00 0.51 H new ATOM 0 HA VAL A 39 -5.216 2.024 7.758 1.00 0.52 H new ATOM 0 HB VAL A 39 -4.100 3.747 8.872 1.00 0.56 H new ATOM 0 HG11 VAL A 39 -1.736 3.046 8.755 1.00 0.60 H new ATOM 0 HG12 VAL A 39 -2.846 1.655 8.735 1.00 0.60 H new ATOM 0 HG13 VAL A 39 -2.070 2.197 7.227 1.00 0.60 H new ATOM 0 HG21 VAL A 39 -2.431 5.224 7.809 1.00 0.61 H new ATOM 0 HG22 VAL A 39 -2.804 4.496 6.229 1.00 0.61 H new ATOM 0 HG23 VAL A 39 -4.050 5.425 7.096 1.00 0.61 H new ATOM 573 N MET A 40 -6.977 3.676 7.377 1.00 0.52 N ATOM 574 CA MET A 40 -8.114 4.523 7.061 1.00 0.52 C ATOM 575 C MET A 40 -8.024 5.859 7.802 1.00 0.55 C ATOM 576 O MET A 40 -8.409 5.955 8.966 1.00 0.59 O ATOM 577 CB MET A 40 -9.408 3.808 7.454 1.00 0.55 C ATOM 578 CG MET A 40 -10.599 4.770 7.417 1.00 0.57 C ATOM 579 SD MET A 40 -11.195 5.066 9.073 1.00 1.08 S ATOM 580 CE MET A 40 -12.799 5.757 8.707 1.00 1.93 C ATOM 0 H MET A 40 -7.106 3.074 8.190 1.00 0.52 H new ATOM 0 HA MET A 40 -8.109 4.721 5.989 1.00 0.52 H new ATOM 0 HB2 MET A 40 -9.588 2.974 6.775 1.00 0.55 H new ATOM 0 HB3 MET A 40 -9.306 3.388 8.455 1.00 0.55 H new ATOM 0 HG2 MET A 40 -10.303 5.711 6.955 1.00 0.57 H new ATOM 0 HG3 MET A 40 -11.397 4.351 6.804 1.00 0.57 H new ATOM 0 HE1 MET A 40 -12.924 6.694 9.249 1.00 1.93 H new ATOM 0 HE2 MET A 40 -12.879 5.944 7.636 1.00 1.93 H new ATOM 0 HE3 MET A 40 -13.576 5.056 9.012 1.00 1.93 H new ATOM 590 N THR A 41 -7.513 6.858 7.095 1.00 0.56 N ATOM 591 CA THR A 41 -7.367 8.184 7.671 1.00 0.61 C ATOM 592 C THR A 41 -8.388 9.145 7.060 1.00 0.65 C ATOM 593 O THR A 41 -8.016 10.152 6.460 1.00 0.74 O ATOM 594 CB THR A 41 -5.917 8.629 7.472 1.00 0.71 C ATOM 595 OG1 THR A 41 -5.917 9.997 7.869 1.00 0.83 O ATOM 596 CG2 THR A 41 -5.515 8.669 5.996 1.00 0.78 C ATOM 0 H THR A 41 -7.195 6.775 6.129 1.00 0.56 H new ATOM 0 HA THR A 41 -7.575 8.176 8.741 1.00 0.61 H new ATOM 0 HB THR A 41 -5.252 7.954 8.011 1.00 0.71 H new ATOM 0 HG1 THR A 41 -6.411 10.529 7.210 1.00 0.83 H new ATOM 0 HG21 THR A 41 -4.477 8.991 5.910 1.00 0.78 H new ATOM 0 HG22 THR A 41 -5.624 7.675 5.562 1.00 0.78 H new ATOM 0 HG23 THR A 41 -6.157 9.370 5.463 1.00 0.78 H new ATOM 604 N ALA A 42 -9.656 8.801 7.233 1.00 0.62 N ATOM 605 CA ALA A 42 -10.733 9.621 6.705 1.00 0.70 C ATOM 606 C ALA A 42 -10.502 11.079 7.109 1.00 0.85 C ATOM 607 O ALA A 42 -10.365 11.949 6.251 1.00 2.00 O ATOM 608 CB ALA A 42 -12.076 9.084 7.204 1.00 0.85 C ATOM 0 H ALA A 42 -9.962 7.965 7.732 1.00 0.62 H new ATOM 0 HA ALA A 42 -10.749 9.578 5.616 1.00 0.70 H new ATOM 0 HB1 ALA A 42 -12.884 9.699 6.808 1.00 0.85 H new ATOM 0 HB2 ALA A 42 -12.204 8.055 6.867 1.00 0.85 H new ATOM 0 HB3 ALA A 42 -12.098 9.114 8.293 1.00 0.85 H new ATOM 614 N MET A 43 -10.467 11.300 8.415 1.00 1.30 N ATOM 615 CA MET A 43 -10.256 12.636 8.943 1.00 1.52 C ATOM 616 C MET A 43 -9.500 12.588 10.272 1.00 1.61 C ATOM 617 O MET A 43 -9.569 11.594 10.994 1.00 1.69 O ATOM 618 CB MET A 43 -11.607 13.324 9.148 1.00 1.84 C ATOM 619 CG MET A 43 -12.041 14.069 7.884 1.00 2.10 C ATOM 620 SD MET A 43 -13.812 13.965 7.691 1.00 2.96 S ATOM 621 CE MET A 43 -14.023 14.952 6.219 1.00 3.84 C ATOM 0 H MET A 43 -10.581 10.575 9.123 1.00 1.30 H new ATOM 0 HA MET A 43 -9.657 13.198 8.227 1.00 1.52 H new ATOM 0 HB2 MET A 43 -12.360 12.582 9.414 1.00 1.84 H new ATOM 0 HB3 MET A 43 -11.540 14.023 9.982 1.00 1.84 H new ATOM 0 HG2 MET A 43 -11.734 15.113 7.944 1.00 2.10 H new ATOM 0 HG3 MET A 43 -11.546 13.641 7.012 1.00 2.10 H new ATOM 0 HE1 MET A 43 -15.080 14.992 5.956 1.00 3.84 H new ATOM 0 HE2 MET A 43 -13.656 15.962 6.402 1.00 3.84 H new ATOM 0 HE3 MET A 43 -13.462 14.506 5.398 1.00 3.84 H new ATOM 631 N PRO A 44 -8.778 13.703 10.565 1.00 1.95 N ATOM 632 CA PRO A 44 -8.011 13.797 11.795 1.00 2.21 C ATOM 633 C PRO A 44 -8.928 14.034 12.996 1.00 2.67 C ATOM 634 O PRO A 44 -9.253 15.176 13.318 1.00 3.27 O ATOM 635 CB PRO A 44 -7.032 14.935 11.561 1.00 2.66 C ATOM 636 CG PRO A 44 -7.593 15.737 10.398 1.00 2.85 C ATOM 637 CD PRO A 44 -8.674 14.900 9.734 1.00 2.35 C ATOM 0 HA PRO A 44 -7.480 12.875 12.032 1.00 2.21 H new ATOM 0 HB2 PRO A 44 -6.935 15.555 12.452 1.00 2.66 H new ATOM 0 HB3 PRO A 44 -6.038 14.553 11.328 1.00 2.66 H new ATOM 0 HG2 PRO A 44 -8.005 16.683 10.750 1.00 2.85 H new ATOM 0 HG3 PRO A 44 -6.805 15.978 9.685 1.00 2.85 H new ATOM 0 HD2 PRO A 44 -9.622 15.437 9.693 1.00 2.35 H new ATOM 0 HD3 PRO A 44 -8.406 14.648 8.708 1.00 2.35 H new ATOM 645 N GLY A 45 -9.320 12.937 13.627 1.00 2.83 N ATOM 646 CA GLY A 45 -10.193 13.011 14.786 1.00 3.50 C ATOM 647 C GLY A 45 -9.467 13.632 15.980 1.00 2.98 C ATOM 648 O GLY A 45 -9.850 14.699 16.457 1.00 2.83 O ATOM 0 H GLY A 45 -9.049 11.991 13.357 1.00 2.83 H new ATOM 0 HA2 GLY A 45 -11.075 13.604 14.544 1.00 3.50 H new ATOM 0 HA3 GLY A 45 -10.542 12.012 15.047 1.00 3.50 H new ATOM 652 N MET A 46 -8.433 12.936 16.431 1.00 3.07 N ATOM 653 CA MET A 46 -7.650 13.407 17.561 1.00 3.13 C ATOM 654 C MET A 46 -6.174 13.551 17.183 1.00 2.99 C ATOM 655 O MET A 46 -5.438 12.565 17.153 1.00 3.46 O ATOM 656 CB MET A 46 -7.785 12.419 18.722 1.00 4.13 C ATOM 657 CG MET A 46 -8.849 12.888 19.717 1.00 4.65 C ATOM 658 SD MET A 46 -8.174 12.902 21.369 1.00 5.49 S ATOM 659 CE MET A 46 -8.852 14.442 21.967 1.00 5.50 C ATOM 0 H MET A 46 -8.120 12.050 16.034 1.00 3.07 H new ATOM 0 HA MET A 46 -8.027 14.386 17.858 1.00 3.13 H new ATOM 0 HB2 MET A 46 -8.050 11.434 18.338 1.00 4.13 H new ATOM 0 HB3 MET A 46 -6.826 12.316 19.230 1.00 4.13 H new ATOM 0 HG2 MET A 46 -9.196 13.886 19.448 1.00 4.65 H new ATOM 0 HG3 MET A 46 -9.715 12.228 19.675 1.00 4.65 H new ATOM 0 HE1 MET A 46 -8.527 14.608 22.994 1.00 5.50 H new ATOM 0 HE2 MET A 46 -8.503 15.262 21.339 1.00 5.50 H new ATOM 0 HE3 MET A 46 -9.941 14.398 21.934 1.00 5.50 H new ATOM 669 N GLU A 47 -5.785 14.786 16.905 1.00 2.69 N ATOM 670 CA GLU A 47 -4.411 15.072 16.530 1.00 3.03 C ATOM 671 C GLU A 47 -3.875 13.980 15.603 1.00 3.00 C ATOM 672 O GLU A 47 -2.985 13.221 15.981 1.00 3.56 O ATOM 673 CB GLU A 47 -3.525 15.222 17.769 1.00 3.85 C ATOM 674 CG GLU A 47 -2.441 16.278 17.543 1.00 4.41 C ATOM 675 CD GLU A 47 -1.329 16.154 18.587 1.00 5.44 C ATOM 676 OE1 GLU A 47 -1.612 15.911 19.769 1.00 6.04 O ATOM 677 OE2 GLU A 47 -0.133 16.317 18.131 1.00 6.07 O ATOM 0 H GLU A 47 -6.398 15.601 16.932 1.00 2.69 H new ATOM 0 HA GLU A 47 -4.392 16.020 15.992 1.00 3.03 H new ATOM 0 HB2 GLU A 47 -4.137 15.502 18.626 1.00 3.85 H new ATOM 0 HB3 GLU A 47 -3.061 14.265 18.007 1.00 3.85 H new ATOM 0 HG2 GLU A 47 -2.021 16.165 16.544 1.00 4.41 H new ATOM 0 HG3 GLU A 47 -2.882 17.274 17.593 1.00 4.41 H new ATOM 684 N HIS A 48 -4.440 13.935 14.406 1.00 2.48 N ATOM 685 CA HIS A 48 -4.031 12.948 13.420 1.00 2.47 C ATOM 686 C HIS A 48 -4.009 11.561 14.063 1.00 2.01 C ATOM 687 O HIS A 48 -2.949 11.069 14.450 1.00 2.26 O ATOM 688 CB HIS A 48 -2.690 13.333 12.791 1.00 3.12 C ATOM 689 CG HIS A 48 -2.553 12.925 11.343 1.00 3.69 C ATOM 690 ND1 HIS A 48 -2.591 13.835 10.302 1.00 4.48 N ATOM 691 CD2 HIS A 48 -2.373 11.698 10.776 1.00 4.56 C ATOM 692 CE1 HIS A 48 -2.443 13.174 9.163 1.00 5.45 C ATOM 693 NE2 HIS A 48 -2.309 11.849 9.459 1.00 5.51 N ATOM 0 H HIS A 48 -5.178 14.566 14.096 1.00 2.48 H new ATOM 0 HA HIS A 48 -4.754 12.920 12.604 1.00 2.47 H new ATOM 0 HB2 HIS A 48 -2.561 14.413 12.868 1.00 3.12 H new ATOM 0 HB3 HIS A 48 -1.885 12.874 13.365 1.00 3.12 H new ATOM 0 HD2 HIS A 48 -2.296 10.762 11.309 1.00 4.56 H new ATOM 0 HE1 HIS A 48 -2.431 13.608 8.174 1.00 5.45 H new ATOM 0 HE2 HIS A 48 -2.181 11.098 8.780 1.00 5.51 H new ATOM 701 N SER A 49 -5.189 10.968 14.158 1.00 1.62 N ATOM 702 CA SER A 49 -5.318 9.646 14.748 1.00 1.45 C ATOM 703 C SER A 49 -5.878 8.665 13.716 1.00 1.24 C ATOM 704 O SER A 49 -7.072 8.366 13.724 1.00 1.34 O ATOM 705 CB SER A 49 -6.214 9.681 15.989 1.00 1.67 C ATOM 706 OG SER A 49 -5.585 9.081 17.117 1.00 2.28 O ATOM 0 H SER A 49 -6.066 11.379 13.836 1.00 1.62 H new ATOM 0 HA SER A 49 -4.328 9.312 15.058 1.00 1.45 H new ATOM 0 HB2 SER A 49 -6.469 10.715 16.223 1.00 1.67 H new ATOM 0 HB3 SER A 49 -7.149 9.162 15.776 1.00 1.67 H new ATOM 0 HG SER A 49 -6.187 9.124 17.889 1.00 2.28 H new ATOM 712 N PRO A 50 -4.968 8.179 12.831 1.00 1.11 N ATOM 713 CA PRO A 50 -5.359 7.238 11.796 1.00 1.12 C ATOM 714 C PRO A 50 -5.587 5.843 12.380 1.00 1.03 C ATOM 715 O PRO A 50 -5.239 5.584 13.531 1.00 1.27 O ATOM 716 CB PRO A 50 -4.229 7.279 10.780 1.00 1.28 C ATOM 717 CG PRO A 50 -3.039 7.885 11.504 1.00 1.32 C ATOM 718 CD PRO A 50 -3.547 8.512 12.793 1.00 1.23 C ATOM 0 HA PRO A 50 -6.308 7.499 11.328 1.00 1.12 H new ATOM 0 HB2 PRO A 50 -3.996 6.279 10.415 1.00 1.28 H new ATOM 0 HB3 PRO A 50 -4.505 7.879 9.913 1.00 1.28 H new ATOM 0 HG2 PRO A 50 -2.293 7.120 11.720 1.00 1.32 H new ATOM 0 HG3 PRO A 50 -2.554 8.635 10.880 1.00 1.32 H new ATOM 0 HD2 PRO A 50 -3.023 8.112 13.661 1.00 1.23 H new ATOM 0 HD3 PRO A 50 -3.393 9.591 12.796 1.00 1.23 H new ATOM 726 N MET A 51 -6.169 4.980 11.561 1.00 0.78 N ATOM 727 CA MET A 51 -6.448 3.618 11.981 1.00 0.77 C ATOM 728 C MET A 51 -6.021 2.614 10.909 1.00 0.75 C ATOM 729 O MET A 51 -6.297 2.810 9.726 1.00 0.94 O ATOM 730 CB MET A 51 -7.944 3.464 12.258 1.00 0.80 C ATOM 731 CG MET A 51 -8.238 3.551 13.757 1.00 1.14 C ATOM 732 SD MET A 51 -9.992 3.391 14.047 1.00 1.85 S ATOM 733 CE MET A 51 -9.982 2.954 15.777 1.00 2.44 C ATOM 0 H MET A 51 -6.455 5.198 10.607 1.00 0.78 H new ATOM 0 HA MET A 51 -5.879 3.415 12.888 1.00 0.77 H new ATOM 0 HB2 MET A 51 -8.497 4.241 11.730 1.00 0.80 H new ATOM 0 HB3 MET A 51 -8.292 2.506 11.871 1.00 0.80 H new ATOM 0 HG2 MET A 51 -7.700 2.765 14.287 1.00 1.14 H new ATOM 0 HG3 MET A 51 -7.881 4.503 14.151 1.00 1.14 H new ATOM 0 HE1 MET A 51 -11.006 2.816 16.123 1.00 2.44 H new ATOM 0 HE2 MET A 51 -9.424 2.028 15.915 1.00 2.44 H new ATOM 0 HE3 MET A 51 -9.509 3.751 16.351 1.00 2.44 H new ATOM 743 N ALA A 52 -5.355 1.562 11.360 1.00 0.69 N ATOM 744 CA ALA A 52 -4.887 0.527 10.453 1.00 0.69 C ATOM 745 C ALA A 52 -6.045 -0.418 10.125 1.00 0.64 C ATOM 746 O ALA A 52 -6.925 -0.640 10.955 1.00 0.67 O ATOM 747 CB ALA A 52 -3.699 -0.204 11.082 1.00 0.78 C ATOM 0 H ALA A 52 -5.128 1.403 12.342 1.00 0.69 H new ATOM 0 HA ALA A 52 -4.542 0.964 9.516 1.00 0.69 H new ATOM 0 HB1 ALA A 52 -3.348 -0.980 10.402 1.00 0.78 H new ATOM 0 HB2 ALA A 52 -2.893 0.506 11.270 1.00 0.78 H new ATOM 0 HB3 ALA A 52 -4.008 -0.659 12.023 1.00 0.78 H new ATOM 753 N VAL A 53 -6.006 -0.950 8.911 1.00 0.60 N ATOM 754 CA VAL A 53 -7.041 -1.866 8.463 1.00 0.59 C ATOM 755 C VAL A 53 -6.455 -3.274 8.349 1.00 0.61 C ATOM 756 O VAL A 53 -5.240 -3.454 8.432 1.00 0.80 O ATOM 757 CB VAL A 53 -7.651 -1.364 7.152 1.00 0.60 C ATOM 758 CG1 VAL A 53 -6.656 -1.502 5.997 1.00 0.64 C ATOM 759 CG2 VAL A 53 -8.957 -2.097 6.841 1.00 0.72 C ATOM 0 H VAL A 53 -5.274 -0.764 8.225 1.00 0.60 H new ATOM 0 HA VAL A 53 -7.853 -1.910 9.189 1.00 0.59 H new ATOM 0 HB VAL A 53 -7.881 -0.305 7.272 1.00 0.60 H new ATOM 0 HG11 VAL A 53 -7.114 -1.138 5.077 1.00 0.64 H new ATOM 0 HG12 VAL A 53 -5.763 -0.916 6.214 1.00 0.64 H new ATOM 0 HG13 VAL A 53 -6.382 -2.550 5.876 1.00 0.64 H new ATOM 0 HG21 VAL A 53 -9.371 -1.722 5.905 1.00 0.72 H new ATOM 0 HG22 VAL A 53 -8.762 -3.165 6.749 1.00 0.72 H new ATOM 0 HG23 VAL A 53 -9.671 -1.926 7.647 1.00 0.72 H new ATOM 769 N LYS A 54 -7.345 -4.238 8.162 1.00 0.63 N ATOM 770 CA LYS A 54 -6.930 -5.625 8.036 1.00 0.67 C ATOM 771 C LYS A 54 -6.779 -5.975 6.555 1.00 0.63 C ATOM 772 O LYS A 54 -7.762 -5.996 5.815 1.00 0.84 O ATOM 773 CB LYS A 54 -7.896 -6.542 8.790 1.00 0.76 C ATOM 774 CG LYS A 54 -7.589 -6.549 10.289 1.00 1.85 C ATOM 775 CD LYS A 54 -8.820 -6.959 11.099 1.00 2.01 C ATOM 776 CE LYS A 54 -8.471 -8.046 12.116 1.00 2.96 C ATOM 777 NZ LYS A 54 -9.583 -8.238 13.074 1.00 3.29 N ATOM 0 H LYS A 54 -8.351 -4.086 8.095 1.00 0.63 H new ATOM 0 HA LYS A 54 -5.955 -5.776 8.500 1.00 0.67 H new ATOM 0 HB2 LYS A 54 -8.921 -6.209 8.627 1.00 0.76 H new ATOM 0 HB3 LYS A 54 -7.823 -7.556 8.396 1.00 0.76 H new ATOM 0 HG2 LYS A 54 -6.769 -7.238 10.493 1.00 1.85 H new ATOM 0 HG3 LYS A 54 -7.258 -5.558 10.601 1.00 1.85 H new ATOM 0 HD2 LYS A 54 -9.225 -6.089 11.616 1.00 2.01 H new ATOM 0 HD3 LYS A 54 -9.598 -7.321 10.427 1.00 2.01 H new ATOM 0 HE2 LYS A 54 -8.263 -8.983 11.599 1.00 2.96 H new ATOM 0 HE3 LYS A 54 -7.564 -7.771 12.654 1.00 2.96 H new ATOM 0 HZ1 LYS A 54 -9.329 -8.980 13.757 1.00 3.29 H new ATOM 0 HZ2 LYS A 54 -9.762 -7.348 13.581 1.00 3.29 H new ATOM 0 HZ3 LYS A 54 -10.440 -8.522 12.558 1.00 3.29 H new ATOM 791 N ALA A 55 -5.541 -6.242 6.166 1.00 0.58 N ATOM 792 CA ALA A 55 -5.249 -6.590 4.786 1.00 0.54 C ATOM 793 C ALA A 55 -4.085 -7.583 4.751 1.00 0.53 C ATOM 794 O ALA A 55 -3.469 -7.860 5.779 1.00 0.57 O ATOM 795 CB ALA A 55 -4.955 -5.319 3.989 1.00 0.55 C ATOM 0 H ALA A 55 -4.729 -6.224 6.783 1.00 0.58 H new ATOM 0 HA ALA A 55 -6.109 -7.073 4.322 1.00 0.54 H new ATOM 0 HB1 ALA A 55 -4.736 -5.581 2.954 1.00 0.55 H new ATOM 0 HB2 ALA A 55 -5.823 -4.661 4.021 1.00 0.55 H new ATOM 0 HB3 ALA A 55 -4.096 -4.808 4.423 1.00 0.55 H new ATOM 801 N ALA A 56 -3.817 -8.090 3.556 1.00 0.52 N ATOM 802 CA ALA A 56 -2.737 -9.045 3.373 1.00 0.54 C ATOM 803 C ALA A 56 -1.977 -8.708 2.089 1.00 0.48 C ATOM 804 O ALA A 56 -2.574 -8.281 1.103 1.00 0.47 O ATOM 805 CB ALA A 56 -3.308 -10.464 3.358 1.00 0.64 C ATOM 0 H ALA A 56 -4.329 -7.857 2.705 1.00 0.52 H new ATOM 0 HA ALA A 56 -2.029 -8.988 4.200 1.00 0.54 H new ATOM 0 HB1 ALA A 56 -2.498 -11.181 3.221 1.00 0.64 H new ATOM 0 HB2 ALA A 56 -3.812 -10.663 4.303 1.00 0.64 H new ATOM 0 HB3 ALA A 56 -4.021 -10.561 2.539 1.00 0.64 H new ATOM 811 N VAL A 57 -0.668 -8.914 2.143 1.00 0.50 N ATOM 812 CA VAL A 57 0.180 -8.638 0.997 1.00 0.46 C ATOM 813 C VAL A 57 0.643 -9.959 0.380 1.00 0.50 C ATOM 814 O VAL A 57 1.203 -10.809 1.070 1.00 0.56 O ATOM 815 CB VAL A 57 1.342 -7.733 1.411 1.00 0.51 C ATOM 816 CG1 VAL A 57 0.832 -6.479 2.124 1.00 1.81 C ATOM 817 CG2 VAL A 57 2.344 -8.492 2.283 1.00 1.79 C ATOM 0 H VAL A 57 -0.175 -9.269 2.963 1.00 0.50 H new ATOM 0 HA VAL A 57 -0.378 -8.099 0.231 1.00 0.46 H new ATOM 0 HB VAL A 57 1.860 -7.416 0.506 1.00 0.51 H new ATOM 0 HG11 VAL A 57 1.678 -5.853 2.408 1.00 1.81 H new ATOM 0 HG12 VAL A 57 0.176 -5.922 1.455 1.00 1.81 H new ATOM 0 HG13 VAL A 57 0.279 -6.768 3.017 1.00 1.81 H new ATOM 0 HG21 VAL A 57 3.160 -7.826 2.563 1.00 1.79 H new ATOM 0 HG22 VAL A 57 1.844 -8.852 3.182 1.00 1.79 H new ATOM 0 HG23 VAL A 57 2.743 -9.339 1.725 1.00 1.79 H new ATOM 827 N SER A 58 0.390 -10.092 -0.915 1.00 0.51 N ATOM 828 CA SER A 58 0.774 -11.295 -1.632 1.00 0.60 C ATOM 829 C SER A 58 1.426 -10.924 -2.965 1.00 0.58 C ATOM 830 O SER A 58 1.085 -9.907 -3.566 1.00 0.86 O ATOM 831 CB SER A 58 -0.435 -12.205 -1.868 1.00 0.77 C ATOM 832 OG SER A 58 -1.255 -12.313 -0.707 1.00 0.85 O ATOM 0 H SER A 58 -0.076 -9.386 -1.485 1.00 0.51 H new ATOM 0 HA SER A 58 1.493 -11.842 -1.022 1.00 0.60 H new ATOM 0 HB2 SER A 58 -1.027 -11.814 -2.695 1.00 0.77 H new ATOM 0 HB3 SER A 58 -0.091 -13.196 -2.163 1.00 0.77 H new ATOM 0 HG SER A 58 -2.016 -12.900 -0.898 1.00 0.85 H new ATOM 838 N GLY A 59 2.353 -11.771 -3.390 1.00 0.63 N ATOM 839 CA GLY A 59 3.056 -11.545 -4.641 1.00 0.60 C ATOM 840 C GLY A 59 2.474 -12.409 -5.762 1.00 0.80 C ATOM 841 O GLY A 59 1.785 -13.392 -5.497 1.00 0.97 O ATOM 0 H GLY A 59 2.633 -12.615 -2.890 1.00 0.63 H new ATOM 0 HA2 GLY A 59 2.987 -10.492 -4.916 1.00 0.60 H new ATOM 0 HA3 GLY A 59 4.114 -11.773 -4.514 1.00 0.60 H new ATOM 845 N GLY A 60 2.772 -12.009 -6.989 1.00 0.87 N ATOM 846 CA GLY A 60 2.286 -12.734 -8.151 1.00 1.14 C ATOM 847 C GLY A 60 3.358 -13.681 -8.694 1.00 1.28 C ATOM 848 O GLY A 60 4.003 -13.383 -9.699 1.00 2.20 O ATOM 0 H GLY A 60 3.344 -11.192 -7.204 1.00 0.87 H new ATOM 0 HA2 GLY A 60 1.395 -13.302 -7.883 1.00 1.14 H new ATOM 0 HA3 GLY A 60 1.992 -12.028 -8.928 1.00 1.14 H new ATOM 852 N GLY A 61 3.516 -14.802 -8.006 1.00 2.19 N ATOM 853 CA GLY A 61 4.500 -15.794 -8.407 1.00 2.40 C ATOM 854 C GLY A 61 5.922 -15.271 -8.198 1.00 2.21 C ATOM 855 O GLY A 61 6.690 -15.843 -7.428 1.00 2.86 O ATOM 0 H GLY A 61 2.979 -15.046 -7.173 1.00 2.19 H new ATOM 0 HA2 GLY A 61 4.356 -16.708 -7.830 1.00 2.40 H new ATOM 0 HA3 GLY A 61 4.354 -16.053 -9.456 1.00 2.40 H new ATOM 859 N ASP A 62 6.230 -14.190 -8.900 1.00 1.57 N ATOM 860 CA ASP A 62 7.547 -13.584 -8.803 1.00 1.34 C ATOM 861 C ASP A 62 7.628 -12.754 -7.519 1.00 1.18 C ATOM 862 O ASP A 62 6.657 -12.104 -7.134 1.00 1.06 O ATOM 863 CB ASP A 62 7.813 -12.650 -9.986 1.00 1.17 C ATOM 864 CG ASP A 62 7.180 -13.086 -11.309 1.00 1.46 C ATOM 865 OD1 ASP A 62 7.335 -14.238 -11.742 1.00 2.32 O ATOM 866 OD2 ASP A 62 6.493 -12.176 -11.911 1.00 2.54 O ATOM 0 H ASP A 62 5.590 -13.718 -9.539 1.00 1.57 H new ATOM 0 HA ASP A 62 8.287 -14.384 -8.802 1.00 1.34 H new ATOM 0 HB2 ASP A 62 7.444 -11.656 -9.734 1.00 1.17 H new ATOM 0 HB3 ASP A 62 8.890 -12.564 -10.127 1.00 1.17 H new ATOM 871 N PRO A 63 8.824 -12.806 -6.876 1.00 1.23 N ATOM 872 CA PRO A 63 9.044 -12.069 -5.643 1.00 1.18 C ATOM 873 C PRO A 63 9.221 -10.575 -5.923 1.00 1.03 C ATOM 874 O PRO A 63 9.384 -9.781 -4.997 1.00 1.07 O ATOM 875 CB PRO A 63 10.274 -12.706 -5.018 1.00 1.38 C ATOM 876 CG PRO A 63 10.968 -13.462 -6.139 1.00 1.49 C ATOM 877 CD PRO A 63 9.995 -13.567 -7.302 1.00 1.41 C ATOM 0 HA PRO A 63 8.195 -12.124 -4.962 1.00 1.18 H new ATOM 0 HB2 PRO A 63 10.932 -11.949 -4.592 1.00 1.38 H new ATOM 0 HB3 PRO A 63 9.996 -13.379 -4.207 1.00 1.38 H new ATOM 0 HG2 PRO A 63 11.875 -12.942 -6.446 1.00 1.49 H new ATOM 0 HG3 PRO A 63 11.268 -14.454 -5.802 1.00 1.49 H new ATOM 0 HD2 PRO A 63 10.424 -13.155 -8.215 1.00 1.41 H new ATOM 0 HD3 PRO A 63 9.738 -14.606 -7.511 1.00 1.41 H new ATOM 885 N LYS A 64 9.183 -10.237 -7.204 1.00 0.92 N ATOM 886 CA LYS A 64 9.338 -8.853 -7.617 1.00 0.82 C ATOM 887 C LYS A 64 7.956 -8.206 -7.744 1.00 0.72 C ATOM 888 O LYS A 64 7.807 -7.005 -7.524 1.00 0.80 O ATOM 889 CB LYS A 64 10.177 -8.765 -8.893 1.00 0.85 C ATOM 890 CG LYS A 64 9.436 -9.383 -10.081 1.00 0.93 C ATOM 891 CD LYS A 64 10.180 -9.117 -11.390 1.00 1.18 C ATOM 892 CE LYS A 64 9.592 -9.947 -12.534 1.00 1.60 C ATOM 893 NZ LYS A 64 10.258 -9.612 -13.812 1.00 2.05 N ATOM 0 H LYS A 64 9.047 -10.898 -7.969 1.00 0.92 H new ATOM 0 HA LYS A 64 9.887 -8.290 -6.863 1.00 0.82 H new ATOM 0 HB2 LYS A 64 10.410 -7.722 -9.108 1.00 0.85 H new ATOM 0 HB3 LYS A 64 11.126 -9.280 -8.744 1.00 0.85 H new ATOM 0 HG2 LYS A 64 9.332 -10.457 -9.930 1.00 0.93 H new ATOM 0 HG3 LYS A 64 8.429 -8.970 -10.141 1.00 0.93 H new ATOM 0 HD2 LYS A 64 10.121 -8.057 -11.637 1.00 1.18 H new ATOM 0 HD3 LYS A 64 11.236 -9.357 -11.267 1.00 1.18 H new ATOM 0 HE2 LYS A 64 9.714 -11.009 -12.321 1.00 1.60 H new ATOM 0 HE3 LYS A 64 8.521 -9.759 -12.615 1.00 1.60 H new ATOM 0 HZ1 LYS A 64 9.848 -10.184 -14.578 1.00 2.05 H new ATOM 0 HZ2 LYS A 64 10.120 -8.603 -14.021 1.00 2.05 H new ATOM 0 HZ3 LYS A 64 11.275 -9.814 -13.737 1.00 2.05 H new ATOM 907 N THR A 65 6.981 -9.031 -8.096 1.00 0.67 N ATOM 908 CA THR A 65 5.618 -8.555 -8.254 1.00 0.64 C ATOM 909 C THR A 65 4.857 -8.667 -6.932 1.00 0.58 C ATOM 910 O THR A 65 4.870 -9.717 -6.291 1.00 0.76 O ATOM 911 CB THR A 65 4.972 -9.343 -9.395 1.00 0.82 C ATOM 912 OG1 THR A 65 5.520 -8.760 -10.574 1.00 0.92 O ATOM 913 CG2 THR A 65 3.469 -9.076 -9.513 1.00 0.85 C ATOM 0 H THR A 65 7.108 -10.027 -8.276 1.00 0.67 H new ATOM 0 HA THR A 65 5.596 -7.497 -8.516 1.00 0.64 H new ATOM 0 HB THR A 65 5.142 -10.409 -9.241 1.00 0.82 H new ATOM 0 HG1 THR A 65 5.155 -9.213 -11.363 1.00 0.92 H new ATOM 0 HG21 THR A 65 3.059 -9.659 -10.338 1.00 0.85 H new ATOM 0 HG22 THR A 65 2.975 -9.363 -8.585 1.00 0.85 H new ATOM 0 HG23 THR A 65 3.301 -8.015 -9.701 1.00 0.85 H new ATOM 921 N MET A 66 4.213 -7.569 -6.561 1.00 0.48 N ATOM 922 CA MET A 66 3.449 -7.530 -5.327 1.00 0.42 C ATOM 923 C MET A 66 2.021 -7.043 -5.580 1.00 0.39 C ATOM 924 O MET A 66 1.787 -6.241 -6.485 1.00 0.42 O ATOM 925 CB MET A 66 4.137 -6.598 -4.328 1.00 0.46 C ATOM 926 CG MET A 66 4.773 -7.392 -3.184 1.00 0.59 C ATOM 927 SD MET A 66 5.963 -8.552 -3.835 1.00 1.40 S ATOM 928 CE MET A 66 6.928 -7.461 -4.868 1.00 0.91 C ATOM 0 H MET A 66 4.205 -6.700 -7.095 1.00 0.48 H new ATOM 0 HA MET A 66 3.401 -8.540 -4.921 1.00 0.42 H new ATOM 0 HB2 MET A 66 4.902 -6.013 -4.839 1.00 0.46 H new ATOM 0 HB3 MET A 66 3.411 -5.891 -3.925 1.00 0.46 H new ATOM 0 HG2 MET A 66 5.260 -6.712 -2.485 1.00 0.59 H new ATOM 0 HG3 MET A 66 4.002 -7.924 -2.626 1.00 0.59 H new ATOM 0 HE1 MET A 66 7.863 -7.950 -5.140 1.00 0.91 H new ATOM 0 HE2 MET A 66 6.366 -7.224 -5.772 1.00 0.91 H new ATOM 0 HE3 MET A 66 7.144 -6.541 -4.324 1.00 0.91 H new ATOM 938 N VAL A 67 1.105 -7.546 -4.768 1.00 0.39 N ATOM 939 CA VAL A 67 -0.294 -7.171 -4.893 1.00 0.40 C ATOM 940 C VAL A 67 -0.969 -7.269 -3.523 1.00 0.40 C ATOM 941 O VAL A 67 -0.996 -8.338 -2.915 1.00 0.50 O ATOM 942 CB VAL A 67 -0.973 -8.035 -5.957 1.00 0.52 C ATOM 943 CG1 VAL A 67 -1.040 -7.302 -7.299 1.00 2.11 C ATOM 944 CG2 VAL A 67 -0.266 -9.384 -6.103 1.00 1.55 C ATOM 0 H VAL A 67 1.303 -8.211 -4.020 1.00 0.39 H new ATOM 0 HA VAL A 67 -0.384 -6.137 -5.226 1.00 0.40 H new ATOM 0 HB VAL A 67 -1.995 -8.227 -5.629 1.00 0.52 H new ATOM 0 HG11 VAL A 67 -1.527 -7.939 -8.037 1.00 2.11 H new ATOM 0 HG12 VAL A 67 -1.610 -6.380 -7.182 1.00 2.11 H new ATOM 0 HG13 VAL A 67 -0.031 -7.064 -7.635 1.00 2.11 H new ATOM 0 HG21 VAL A 67 -0.769 -9.978 -6.866 1.00 1.55 H new ATOM 0 HG22 VAL A 67 0.771 -9.221 -6.396 1.00 1.55 H new ATOM 0 HG23 VAL A 67 -0.296 -9.915 -5.152 1.00 1.55 H new ATOM 954 N ILE A 68 -1.497 -6.138 -3.077 1.00 0.35 N ATOM 955 CA ILE A 68 -2.169 -6.083 -1.791 1.00 0.39 C ATOM 956 C ILE A 68 -3.661 -6.360 -1.988 1.00 0.42 C ATOM 957 O ILE A 68 -4.314 -5.715 -2.807 1.00 0.44 O ATOM 958 CB ILE A 68 -1.878 -4.755 -1.090 1.00 0.41 C ATOM 959 CG1 ILE A 68 -0.669 -4.878 -0.162 1.00 0.50 C ATOM 960 CG2 ILE A 68 -3.117 -4.239 -0.354 1.00 0.50 C ATOM 961 CD1 ILE A 68 0.638 -4.850 -0.957 1.00 0.50 C ATOM 0 H ILE A 68 -1.473 -5.253 -3.584 1.00 0.35 H new ATOM 0 HA ILE A 68 -1.785 -6.858 -1.127 1.00 0.39 H new ATOM 0 HB ILE A 68 -1.625 -4.016 -1.851 1.00 0.41 H new ATOM 0 HG12 ILE A 68 -0.677 -4.062 0.561 1.00 0.50 H new ATOM 0 HG13 ILE A 68 -0.734 -5.807 0.405 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -2.882 -3.294 0.135 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -3.927 -4.087 -1.067 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -3.425 -4.968 0.395 1.00 0.50 H new ATOM 0 HD11 ILE A 68 1.482 -4.939 -0.273 1.00 0.50 H new ATOM 0 HD12 ILE A 68 0.653 -5.681 -1.662 1.00 0.50 H new ATOM 0 HD13 ILE A 68 0.711 -3.910 -1.503 1.00 0.50 H new ATOM 973 N THR A 69 -4.158 -7.321 -1.222 1.00 0.46 N ATOM 974 CA THR A 69 -5.561 -7.692 -1.303 1.00 0.53 C ATOM 975 C THR A 69 -6.159 -7.823 0.100 1.00 0.59 C ATOM 976 O THR A 69 -5.985 -8.847 0.759 1.00 0.82 O ATOM 977 CB THR A 69 -5.665 -8.975 -2.129 1.00 0.66 C ATOM 978 OG1 THR A 69 -6.275 -8.555 -3.347 1.00 0.69 O ATOM 979 CG2 THR A 69 -6.662 -9.974 -1.538 1.00 0.76 C ATOM 0 H THR A 69 -3.614 -7.853 -0.543 1.00 0.46 H new ATOM 0 HA THR A 69 -6.146 -6.919 -1.802 1.00 0.53 H new ATOM 0 HB THR A 69 -4.683 -9.442 -2.199 1.00 0.66 H new ATOM 0 HG1 THR A 69 -6.379 -9.326 -3.943 1.00 0.69 H new ATOM 0 HG21 THR A 69 -6.697 -10.866 -2.163 1.00 0.76 H new ATOM 0 HG22 THR A 69 -6.348 -10.248 -0.531 1.00 0.76 H new ATOM 0 HG23 THR A 69 -7.652 -9.520 -1.499 1.00 0.76 H new ATOM 987 N PRO A 70 -6.868 -6.743 0.526 1.00 0.46 N ATOM 988 CA PRO A 70 -7.493 -6.728 1.838 1.00 0.52 C ATOM 989 C PRO A 70 -8.747 -7.603 1.858 1.00 0.61 C ATOM 990 O PRO A 70 -9.563 -7.545 0.941 1.00 0.67 O ATOM 991 CB PRO A 70 -7.786 -5.263 2.116 1.00 0.54 C ATOM 992 CG PRO A 70 -7.743 -4.565 0.766 1.00 0.57 C ATOM 993 CD PRO A 70 -7.093 -5.514 -0.228 1.00 0.46 C ATOM 0 HA PRO A 70 -6.853 -7.147 2.614 1.00 0.52 H new ATOM 0 HB2 PRO A 70 -8.762 -5.143 2.587 1.00 0.54 H new ATOM 0 HB3 PRO A 70 -7.048 -4.840 2.798 1.00 0.54 H new ATOM 0 HG2 PRO A 70 -8.749 -4.301 0.440 1.00 0.57 H new ATOM 0 HG3 PRO A 70 -7.176 -3.636 0.834 1.00 0.57 H new ATOM 0 HD2 PRO A 70 -7.739 -5.690 -1.088 1.00 0.46 H new ATOM 0 HD3 PRO A 70 -6.157 -5.107 -0.610 1.00 0.46 H new ATOM 1001 N ALA A 71 -8.861 -8.395 2.915 1.00 0.80 N ATOM 1002 CA ALA A 71 -10.001 -9.281 3.066 1.00 0.99 C ATOM 1003 C ALA A 71 -11.256 -8.448 3.338 1.00 0.87 C ATOM 1004 O ALA A 71 -12.364 -8.857 2.993 1.00 1.06 O ATOM 1005 CB ALA A 71 -9.719 -10.290 4.181 1.00 1.24 C ATOM 0 H ALA A 71 -8.182 -8.441 3.675 1.00 0.80 H new ATOM 0 HA ALA A 71 -10.172 -9.846 2.150 1.00 0.99 H new ATOM 0 HB1 ALA A 71 -10.575 -10.955 4.295 1.00 1.24 H new ATOM 0 HB2 ALA A 71 -8.835 -10.875 3.927 1.00 1.24 H new ATOM 0 HB3 ALA A 71 -9.546 -9.759 5.117 1.00 1.24 H new ATOM 1011 N SER A 72 -11.039 -7.295 3.954 1.00 0.68 N ATOM 1012 CA SER A 72 -12.140 -6.402 4.276 1.00 0.65 C ATOM 1013 C SER A 72 -12.310 -5.362 3.166 1.00 0.59 C ATOM 1014 O SER A 72 -11.328 -4.822 2.660 1.00 0.54 O ATOM 1015 CB SER A 72 -11.911 -5.710 5.621 1.00 0.69 C ATOM 1016 OG SER A 72 -12.811 -6.178 6.622 1.00 0.87 O ATOM 0 H SER A 72 -10.119 -6.959 4.238 1.00 0.68 H new ATOM 0 HA SER A 72 -13.052 -6.995 4.353 1.00 0.65 H new ATOM 0 HB2 SER A 72 -10.885 -5.882 5.947 1.00 0.69 H new ATOM 0 HB3 SER A 72 -12.031 -4.633 5.500 1.00 0.69 H new ATOM 0 HG SER A 72 -12.632 -5.714 7.466 1.00 0.87 H new ATOM 1022 N PRO A 73 -13.598 -5.105 2.812 1.00 0.67 N ATOM 1023 CA PRO A 73 -13.911 -4.140 1.772 1.00 0.67 C ATOM 1024 C PRO A 73 -13.730 -2.709 2.280 1.00 0.55 C ATOM 1025 O PRO A 73 -14.226 -2.358 3.350 1.00 0.56 O ATOM 1026 CB PRO A 73 -15.342 -4.450 1.366 1.00 0.82 C ATOM 1027 CG PRO A 73 -15.933 -5.264 2.505 1.00 0.89 C ATOM 1028 CD PRO A 73 -14.786 -5.726 3.390 1.00 0.80 C ATOM 0 HA PRO A 73 -13.243 -4.214 0.914 1.00 0.67 H new ATOM 0 HB2 PRO A 73 -15.910 -3.533 1.206 1.00 0.82 H new ATOM 0 HB3 PRO A 73 -15.370 -5.010 0.431 1.00 0.82 H new ATOM 0 HG2 PRO A 73 -16.639 -4.663 3.078 1.00 0.89 H new ATOM 0 HG3 PRO A 73 -16.485 -6.120 2.117 1.00 0.89 H new ATOM 0 HD2 PRO A 73 -14.933 -5.413 4.424 1.00 0.80 H new ATOM 0 HD3 PRO A 73 -14.702 -6.813 3.394 1.00 0.80 H new ATOM 1036 N LEU A 74 -13.017 -1.919 1.490 1.00 0.54 N ATOM 1037 CA LEU A 74 -12.765 -0.533 1.847 1.00 0.51 C ATOM 1038 C LEU A 74 -14.037 0.286 1.622 1.00 0.51 C ATOM 1039 O LEU A 74 -14.518 0.396 0.495 1.00 0.60 O ATOM 1040 CB LEU A 74 -11.547 0.001 1.091 1.00 0.62 C ATOM 1041 CG LEU A 74 -10.244 -0.778 1.281 1.00 0.64 C ATOM 1042 CD1 LEU A 74 -9.230 -0.427 0.190 1.00 0.78 C ATOM 1043 CD2 LEU A 74 -9.675 -0.561 2.685 1.00 0.59 C ATOM 0 H LEU A 74 -12.606 -2.213 0.604 1.00 0.54 H new ATOM 0 HA LEU A 74 -12.516 -0.450 2.905 1.00 0.51 H new ATOM 0 HB2 LEU A 74 -11.784 0.019 0.027 1.00 0.62 H new ATOM 0 HB3 LEU A 74 -11.378 1.033 1.398 1.00 0.62 H new ATOM 0 HG LEU A 74 -10.465 -1.841 1.184 1.00 0.64 H new ATOM 0 HD11 LEU A 74 -8.313 -0.995 0.349 1.00 0.78 H new ATOM 0 HD12 LEU A 74 -9.646 -0.675 -0.787 1.00 0.78 H new ATOM 0 HD13 LEU A 74 -9.008 0.639 0.229 1.00 0.78 H new ATOM 0 HD21 LEU A 74 -8.749 -1.126 2.794 1.00 0.59 H new ATOM 0 HD22 LEU A 74 -9.473 0.499 2.836 1.00 0.59 H new ATOM 0 HD23 LEU A 74 -10.397 -0.902 3.427 1.00 0.59 H new ATOM 1055 N THR A 75 -14.544 0.842 2.712 1.00 0.47 N ATOM 1056 CA THR A 75 -15.751 1.649 2.648 1.00 0.50 C ATOM 1057 C THR A 75 -15.410 3.089 2.261 1.00 0.49 C ATOM 1058 O THR A 75 -14.242 3.474 2.260 1.00 0.50 O ATOM 1059 CB THR A 75 -16.469 1.535 3.995 1.00 0.59 C ATOM 1060 OG1 THR A 75 -15.598 2.195 4.909 1.00 0.68 O ATOM 1061 CG2 THR A 75 -16.525 0.095 4.509 1.00 0.63 C ATOM 0 H THR A 75 -14.141 0.750 3.645 1.00 0.47 H new ATOM 0 HA THR A 75 -16.427 1.289 1.872 1.00 0.50 H new ATOM 0 HB THR A 75 -17.482 1.926 3.900 1.00 0.59 H new ATOM 0 HG1 THR A 75 -14.799 2.506 4.434 1.00 0.68 H new ATOM 0 HG21 THR A 75 -17.044 0.071 5.467 1.00 0.63 H new ATOM 0 HG22 THR A 75 -17.059 -0.527 3.791 1.00 0.63 H new ATOM 0 HG23 THR A 75 -15.512 -0.286 4.636 1.00 0.63 H new ATOM 1069 N ALA A 76 -16.451 3.845 1.945 1.00 0.49 N ATOM 1070 CA ALA A 76 -16.276 5.235 1.557 1.00 0.51 C ATOM 1071 C ALA A 76 -15.389 5.938 2.587 1.00 0.53 C ATOM 1072 O ALA A 76 -15.300 5.506 3.735 1.00 0.70 O ATOM 1073 CB ALA A 76 -17.646 5.901 1.416 1.00 0.56 C ATOM 0 H ALA A 76 -17.418 3.522 1.950 1.00 0.49 H new ATOM 0 HA ALA A 76 -15.778 5.305 0.590 1.00 0.51 H new ATOM 0 HB1 ALA A 76 -17.516 6.943 1.125 1.00 0.56 H new ATOM 0 HB2 ALA A 76 -18.226 5.381 0.654 1.00 0.56 H new ATOM 0 HB3 ALA A 76 -18.173 5.853 2.369 1.00 0.56 H new ATOM 1079 N GLY A 77 -14.754 7.011 2.138 1.00 0.50 N ATOM 1080 CA GLY A 77 -13.877 7.780 3.005 1.00 0.53 C ATOM 1081 C GLY A 77 -12.515 8.004 2.347 1.00 0.50 C ATOM 1082 O GLY A 77 -12.404 8.000 1.122 1.00 0.49 O ATOM 0 H GLY A 77 -14.829 7.366 1.185 1.00 0.50 H new ATOM 0 HA2 GLY A 77 -14.337 8.741 3.233 1.00 0.53 H new ATOM 0 HA3 GLY A 77 -13.746 7.257 3.952 1.00 0.53 H new ATOM 1086 N THR A 78 -11.510 8.195 3.190 1.00 0.54 N ATOM 1087 CA THR A 78 -10.159 8.421 2.705 1.00 0.52 C ATOM 1088 C THR A 78 -9.172 7.507 3.435 1.00 0.48 C ATOM 1089 O THR A 78 -9.244 7.358 4.654 1.00 0.50 O ATOM 1090 CB THR A 78 -9.842 9.909 2.864 1.00 0.57 C ATOM 1091 OG1 THR A 78 -10.686 10.548 1.909 1.00 0.67 O ATOM 1092 CG2 THR A 78 -8.426 10.258 2.404 1.00 0.67 C ATOM 0 H THR A 78 -11.605 8.198 4.206 1.00 0.54 H new ATOM 0 HA THR A 78 -10.069 8.167 1.649 1.00 0.52 H new ATOM 0 HB THR A 78 -9.965 10.197 3.908 1.00 0.57 H new ATOM 0 HG1 THR A 78 -11.175 11.279 2.342 1.00 0.67 H new ATOM 0 HG21 THR A 78 -8.253 11.326 2.538 1.00 0.67 H new ATOM 0 HG22 THR A 78 -7.703 9.696 2.995 1.00 0.67 H new ATOM 0 HG23 THR A 78 -8.312 10.001 1.351 1.00 0.67 H new ATOM 1100 N TYR A 79 -8.273 6.921 2.659 1.00 0.45 N ATOM 1101 CA TYR A 79 -7.271 6.027 3.215 1.00 0.42 C ATOM 1102 C TYR A 79 -5.919 6.223 2.528 1.00 0.41 C ATOM 1103 O TYR A 79 -5.846 6.809 1.449 1.00 0.44 O ATOM 1104 CB TYR A 79 -7.772 4.609 2.937 1.00 0.42 C ATOM 1105 CG TYR A 79 -9.232 4.375 3.326 1.00 0.49 C ATOM 1106 CD1 TYR A 79 -10.242 5.007 2.628 1.00 2.07 C ATOM 1107 CD2 TYR A 79 -9.542 3.535 4.376 1.00 1.64 C ATOM 1108 CE1 TYR A 79 -11.617 4.788 2.994 1.00 2.15 C ATOM 1109 CE2 TYR A 79 -10.917 3.317 4.743 1.00 1.61 C ATOM 1110 CZ TYR A 79 -11.887 3.954 4.034 1.00 0.71 C ATOM 1111 OH TYR A 79 -13.185 3.747 4.381 1.00 0.84 O ATOM 0 H TYR A 79 -8.217 7.048 1.648 1.00 0.45 H new ATOM 0 HA TYR A 79 -7.132 6.220 4.279 1.00 0.42 H new ATOM 0 HB2 TYR A 79 -7.651 4.394 1.875 1.00 0.42 H new ATOM 0 HB3 TYR A 79 -7.145 3.901 3.479 1.00 0.42 H new ATOM 0 HD1 TYR A 79 -10.000 5.666 1.807 1.00 2.07 H new ATOM 0 HD2 TYR A 79 -8.753 3.041 4.923 1.00 1.64 H new ATOM 0 HE1 TYR A 79 -12.416 5.275 2.455 1.00 2.15 H new ATOM 0 HE2 TYR A 79 -11.172 2.662 5.563 1.00 1.61 H new ATOM 0 HH TYR A 79 -13.771 4.077 3.668 1.00 0.84 H new ATOM 1121 N LYS A 80 -4.881 5.721 3.182 1.00 0.44 N ATOM 1122 CA LYS A 80 -3.535 5.833 2.647 1.00 0.47 C ATOM 1123 C LYS A 80 -2.810 4.495 2.815 1.00 0.44 C ATOM 1124 O LYS A 80 -2.638 4.015 3.934 1.00 0.46 O ATOM 1125 CB LYS A 80 -2.800 7.013 3.286 1.00 0.55 C ATOM 1126 CG LYS A 80 -2.210 6.623 4.642 1.00 1.95 C ATOM 1127 CD LYS A 80 -1.512 7.814 5.301 1.00 2.09 C ATOM 1128 CE LYS A 80 -0.928 7.425 6.660 1.00 3.36 C ATOM 1129 NZ LYS A 80 -0.058 8.505 7.179 1.00 3.18 N ATOM 0 H LYS A 80 -4.945 5.236 4.077 1.00 0.44 H new ATOM 0 HA LYS A 80 -3.568 6.047 1.579 1.00 0.47 H new ATOM 0 HB2 LYS A 80 -2.004 7.352 2.623 1.00 0.55 H new ATOM 0 HB3 LYS A 80 -3.488 7.849 3.412 1.00 0.55 H new ATOM 0 HG2 LYS A 80 -3.002 6.255 5.294 1.00 1.95 H new ATOM 0 HG3 LYS A 80 -1.499 5.807 4.512 1.00 1.95 H new ATOM 0 HD2 LYS A 80 -0.717 8.179 4.651 1.00 2.09 H new ATOM 0 HD3 LYS A 80 -2.222 8.632 5.427 1.00 2.09 H new ATOM 0 HE2 LYS A 80 -1.735 7.229 7.366 1.00 3.36 H new ATOM 0 HE3 LYS A 80 -0.355 6.502 6.566 1.00 3.36 H new ATOM 0 HZ1 LYS A 80 0.330 8.225 8.102 1.00 3.18 H new ATOM 0 HZ2 LYS A 80 0.722 8.673 6.512 1.00 3.18 H new ATOM 0 HZ3 LYS A 80 -0.614 9.377 7.288 1.00 3.18 H new ATOM 1143 N VAL A 81 -2.408 3.931 1.685 1.00 0.42 N ATOM 1144 CA VAL A 81 -1.707 2.659 1.693 1.00 0.41 C ATOM 1145 C VAL A 81 -0.201 2.911 1.780 1.00 0.40 C ATOM 1146 O VAL A 81 0.420 3.326 0.804 1.00 0.51 O ATOM 1147 CB VAL A 81 -2.105 1.834 0.467 1.00 0.40 C ATOM 1148 CG1 VAL A 81 -1.500 0.430 0.530 1.00 0.50 C ATOM 1149 CG2 VAL A 81 -3.626 1.770 0.320 1.00 0.55 C ATOM 0 H VAL A 81 -2.555 4.332 0.759 1.00 0.42 H new ATOM 0 HA VAL A 81 -1.989 2.074 2.568 1.00 0.41 H new ATOM 0 HB VAL A 81 -1.704 2.331 -0.416 1.00 0.40 H new ATOM 0 HG11 VAL A 81 -1.799 -0.135 -0.353 1.00 0.50 H new ATOM 0 HG12 VAL A 81 -0.413 0.503 0.563 1.00 0.50 H new ATOM 0 HG13 VAL A 81 -1.857 -0.080 1.425 1.00 0.50 H new ATOM 0 HG21 VAL A 81 -3.882 1.178 -0.559 1.00 0.55 H new ATOM 0 HG22 VAL A 81 -4.058 1.308 1.207 1.00 0.55 H new ATOM 0 HG23 VAL A 81 -4.023 2.779 0.206 1.00 0.55 H new ATOM 1159 N ASP A 82 0.343 2.650 2.961 1.00 0.42 N ATOM 1160 CA ASP A 82 1.765 2.844 3.189 1.00 0.43 C ATOM 1161 C ASP A 82 2.514 1.556 2.842 1.00 0.43 C ATOM 1162 O ASP A 82 2.380 0.550 3.537 1.00 0.47 O ATOM 1163 CB ASP A 82 2.048 3.175 4.656 1.00 0.50 C ATOM 1164 CG ASP A 82 1.268 4.368 5.211 1.00 0.62 C ATOM 1165 OD1 ASP A 82 0.727 5.187 4.453 1.00 1.62 O ATOM 1166 OD2 ASP A 82 1.227 4.441 6.499 1.00 1.30 O ATOM 0 H ASP A 82 -0.176 2.306 3.769 1.00 0.42 H new ATOM 0 HA ASP A 82 2.097 3.672 2.562 1.00 0.43 H new ATOM 0 HB2 ASP A 82 1.820 2.298 5.261 1.00 0.50 H new ATOM 0 HB3 ASP A 82 3.114 3.372 4.769 1.00 0.50 H new ATOM 1171 N TRP A 83 3.284 1.629 1.766 1.00 0.47 N ATOM 1172 CA TRP A 83 4.054 0.480 1.319 1.00 0.50 C ATOM 1173 C TRP A 83 5.532 0.765 1.593 1.00 0.53 C ATOM 1174 O TRP A 83 5.928 1.921 1.732 1.00 0.51 O ATOM 1175 CB TRP A 83 3.767 0.167 -0.152 1.00 0.52 C ATOM 1176 CG TRP A 83 3.985 1.354 -1.094 1.00 0.47 C ATOM 1177 CD1 TRP A 83 3.057 2.101 -1.708 1.00 0.48 C ATOM 1178 CD2 TRP A 83 5.254 1.903 -1.506 1.00 0.45 C ATOM 1179 NE1 TRP A 83 3.633 3.087 -2.482 1.00 0.47 N ATOM 1180 CE2 TRP A 83 5.012 2.962 -2.356 1.00 0.45 C ATOM 1181 CE3 TRP A 83 6.564 1.516 -1.173 1.00 0.47 C ATOM 1182 CZ2 TRP A 83 6.031 3.723 -2.943 1.00 0.46 C ATOM 1183 CZ3 TRP A 83 7.572 2.287 -1.766 1.00 0.49 C ATOM 1184 CH2 TRP A 83 7.344 3.356 -2.624 1.00 0.49 C ATOM 0 H TRP A 83 3.391 2.465 1.191 1.00 0.47 H new ATOM 0 HA TRP A 83 3.765 -0.416 1.869 1.00 0.50 H new ATOM 0 HB2 TRP A 83 4.406 -0.657 -0.469 1.00 0.52 H new ATOM 0 HB3 TRP A 83 2.736 -0.174 -0.246 1.00 0.52 H new ATOM 0 HD1 TRP A 83 1.992 1.950 -1.609 1.00 0.48 H new ATOM 0 HE1 TRP A 83 3.138 3.780 -3.043 1.00 0.47 H new ATOM 0 HE3 TRP A 83 6.776 0.689 -0.512 1.00 0.47 H new ATOM 0 HZ2 TRP A 83 5.816 4.548 -3.606 1.00 0.46 H new ATOM 0 HZ3 TRP A 83 8.597 2.033 -1.541 1.00 0.49 H new ATOM 0 HH2 TRP A 83 8.176 3.902 -3.043 1.00 0.49 H new ATOM 1195 N ARG A 84 6.305 -0.308 1.662 1.00 0.63 N ATOM 1196 CA ARG A 84 7.730 -0.188 1.918 1.00 0.69 C ATOM 1197 C ARG A 84 8.498 -1.278 1.166 1.00 0.74 C ATOM 1198 O ARG A 84 8.349 -2.463 1.460 1.00 0.70 O ATOM 1199 CB ARG A 84 8.034 -0.298 3.413 1.00 0.74 C ATOM 1200 CG ARG A 84 7.481 0.908 4.175 1.00 0.94 C ATOM 1201 CD ARG A 84 6.215 0.534 4.948 1.00 1.87 C ATOM 1202 NE ARG A 84 5.873 1.607 5.908 1.00 2.09 N ATOM 1203 CZ ARG A 84 4.957 1.479 6.892 1.00 2.85 C ATOM 1204 NH1 ARG A 84 4.281 0.322 7.053 1.00 3.58 N ATOM 1205 NH2 ARG A 84 4.731 2.504 7.693 1.00 3.50 N ATOM 0 H ARG A 84 5.972 -1.265 1.545 1.00 0.63 H new ATOM 0 HA ARG A 84 8.048 0.794 1.567 1.00 0.69 H new ATOM 0 HB2 ARG A 84 7.598 -1.215 3.810 1.00 0.74 H new ATOM 0 HB3 ARG A 84 9.111 -0.366 3.565 1.00 0.74 H new ATOM 0 HG2 ARG A 84 8.236 1.283 4.866 1.00 0.94 H new ATOM 0 HG3 ARG A 84 7.260 1.714 3.476 1.00 0.94 H new ATOM 0 HD2 ARG A 84 5.388 0.378 4.255 1.00 1.87 H new ATOM 0 HD3 ARG A 84 6.367 -0.406 5.479 1.00 1.87 H new ATOM 0 HE ARG A 84 6.360 2.499 5.821 1.00 2.09 H new ATOM 0 HH11 ARG A 84 4.460 -0.465 6.429 1.00 3.58 H new ATOM 0 HH12 ARG A 84 3.591 0.234 7.799 1.00 3.58 H new ATOM 0 HH21 ARG A 84 5.245 3.376 7.563 1.00 3.50 H new ATOM 0 HH22 ARG A 84 4.042 2.424 8.441 1.00 3.50 H new ATOM 1219 N ALA A 85 9.304 -0.837 0.211 1.00 0.94 N ATOM 1220 CA ALA A 85 10.095 -1.761 -0.585 1.00 1.03 C ATOM 1221 C ALA A 85 11.541 -1.751 -0.082 1.00 1.10 C ATOM 1222 O ALA A 85 12.050 -0.712 0.332 1.00 1.07 O ATOM 1223 CB ALA A 85 9.990 -1.380 -2.064 1.00 1.10 C ATOM 0 H ALA A 85 9.426 0.147 -0.029 1.00 0.94 H new ATOM 0 HA ALA A 85 9.716 -2.778 -0.482 1.00 1.03 H new ATOM 0 HB1 ALA A 85 10.583 -2.073 -2.661 1.00 1.10 H new ATOM 0 HB2 ALA A 85 8.948 -1.429 -2.379 1.00 1.10 H new ATOM 0 HB3 ALA A 85 10.364 -0.366 -2.206 1.00 1.10 H new ATOM 1229 N VAL A 86 12.158 -2.922 -0.133 1.00 1.43 N ATOM 1230 CA VAL A 86 13.534 -3.062 0.313 1.00 1.57 C ATOM 1231 C VAL A 86 14.305 -3.923 -0.691 1.00 1.79 C ATOM 1232 O VAL A 86 13.778 -4.909 -1.201 1.00 2.24 O ATOM 1233 CB VAL A 86 13.569 -3.625 1.734 1.00 1.69 C ATOM 1234 CG1 VAL A 86 14.974 -4.111 2.097 1.00 2.27 C ATOM 1235 CG2 VAL A 86 13.068 -2.593 2.746 1.00 2.37 C ATOM 0 H VAL A 86 11.731 -3.782 -0.476 1.00 1.43 H new ATOM 0 HA VAL A 86 14.024 -2.089 0.352 1.00 1.57 H new ATOM 0 HB VAL A 86 12.898 -4.483 1.770 1.00 1.69 H new ATOM 0 HG11 VAL A 86 14.971 -4.507 3.113 1.00 2.27 H new ATOM 0 HG12 VAL A 86 15.278 -4.895 1.403 1.00 2.27 H new ATOM 0 HG13 VAL A 86 15.675 -3.278 2.034 1.00 2.27 H new ATOM 0 HG21 VAL A 86 13.103 -3.020 3.748 1.00 2.37 H new ATOM 0 HG22 VAL A 86 13.702 -1.707 2.706 1.00 2.37 H new ATOM 0 HG23 VAL A 86 12.042 -2.316 2.506 1.00 2.37 H new ATOM 1245 N SER A 87 15.541 -3.517 -0.943 1.00 1.78 N ATOM 1246 CA SER A 87 16.390 -4.239 -1.875 1.00 2.10 C ATOM 1247 C SER A 87 17.067 -5.414 -1.165 1.00 2.32 C ATOM 1248 O SER A 87 16.875 -6.568 -1.546 1.00 3.64 O ATOM 1249 CB SER A 87 17.441 -3.314 -2.491 1.00 2.41 C ATOM 1250 OG SER A 87 18.217 -3.976 -3.488 1.00 3.40 O ATOM 0 H SER A 87 15.975 -2.697 -0.518 1.00 1.78 H new ATOM 0 HA SER A 87 15.765 -4.622 -2.681 1.00 2.10 H new ATOM 0 HB2 SER A 87 16.948 -2.448 -2.932 1.00 2.41 H new ATOM 0 HB3 SER A 87 18.100 -2.941 -1.707 1.00 2.41 H new ATOM 0 HG SER A 87 18.231 -3.434 -4.305 1.00 3.40 H new ATOM 1256 N SER A 88 17.845 -5.078 -0.146 1.00 1.86 N ATOM 1257 CA SER A 88 18.551 -6.092 0.621 1.00 2.40 C ATOM 1258 C SER A 88 19.371 -5.432 1.730 1.00 2.56 C ATOM 1259 O SER A 88 19.128 -5.670 2.912 1.00 3.66 O ATOM 1260 CB SER A 88 19.457 -6.932 -0.282 1.00 2.97 C ATOM 1261 OG SER A 88 19.444 -8.309 0.083 1.00 3.81 O ATOM 0 H SER A 88 18.002 -4.120 0.166 1.00 1.86 H new ATOM 0 HA SER A 88 17.814 -6.757 1.071 1.00 2.40 H new ATOM 0 HB2 SER A 88 19.134 -6.828 -1.318 1.00 2.97 H new ATOM 0 HB3 SER A 88 20.477 -6.552 -0.227 1.00 2.97 H new ATOM 0 HG SER A 88 20.033 -8.812 -0.517 1.00 3.81 H new ATOM 1267 N ASP A 89 20.325 -4.613 1.310 1.00 2.30 N ATOM 1268 CA ASP A 89 21.183 -3.916 2.254 1.00 2.70 C ATOM 1269 C ASP A 89 20.836 -2.426 2.246 1.00 2.41 C ATOM 1270 O ASP A 89 20.533 -1.850 3.291 1.00 2.96 O ATOM 1271 CB ASP A 89 22.657 -4.061 1.870 1.00 3.65 C ATOM 1272 CG ASP A 89 23.422 -5.140 2.639 1.00 4.96 C ATOM 1273 OD1 ASP A 89 23.310 -5.137 3.883 1.00 5.81 O ATOM 1274 OD2 ASP A 89 24.102 -5.943 1.964 1.00 5.63 O ATOM 0 H ASP A 89 20.523 -4.417 0.329 1.00 2.30 H new ATOM 0 HA ASP A 89 21.024 -4.351 3.240 1.00 2.70 H new ATOM 0 HB2 ASP A 89 22.719 -4.282 0.804 1.00 3.65 H new ATOM 0 HB3 ASP A 89 23.154 -3.103 2.026 1.00 3.65 H new ATOM 1279 N THR A 90 20.893 -1.844 1.058 1.00 3.06 N ATOM 1280 CA THR A 90 20.590 -0.432 0.900 1.00 3.63 C ATOM 1281 C THR A 90 19.418 -0.035 1.802 1.00 2.76 C ATOM 1282 O THR A 90 18.577 -0.868 2.135 1.00 3.43 O ATOM 1283 CB THR A 90 20.332 -0.165 -0.584 1.00 5.38 C ATOM 1284 OG1 THR A 90 20.404 1.253 -0.700 1.00 5.93 O ATOM 1285 CG2 THR A 90 18.898 -0.501 -0.999 1.00 6.55 C ATOM 0 H THR A 90 21.145 -2.325 0.195 1.00 3.06 H new ATOM 0 HA THR A 90 21.428 0.190 1.215 1.00 3.63 H new ATOM 0 HB THR A 90 21.030 -0.749 -1.184 1.00 5.38 H new ATOM 0 HG1 THR A 90 20.250 1.513 -1.632 1.00 5.93 H new ATOM 0 HG21 THR A 90 18.768 -0.293 -2.061 1.00 6.55 H new ATOM 0 HG22 THR A 90 18.702 -1.556 -0.809 1.00 6.55 H new ATOM 0 HG23 THR A 90 18.201 0.107 -0.423 1.00 6.55 H new ATOM 1293 N HIS A 91 19.401 1.238 2.170 1.00 2.37 N ATOM 1294 CA HIS A 91 18.347 1.755 3.025 1.00 1.85 C ATOM 1295 C HIS A 91 16.984 1.347 2.463 1.00 1.38 C ATOM 1296 O HIS A 91 16.867 1.020 1.283 1.00 1.52 O ATOM 1297 CB HIS A 91 18.486 3.269 3.203 1.00 2.41 C ATOM 1298 CG HIS A 91 19.047 3.681 4.542 1.00 3.18 C ATOM 1299 ND1 HIS A 91 18.350 3.524 5.728 1.00 4.29 N ATOM 1300 CD2 HIS A 91 20.245 4.242 4.872 1.00 4.10 C ATOM 1301 CE1 HIS A 91 19.103 3.976 6.720 1.00 5.35 C ATOM 1302 NE2 HIS A 91 20.278 4.421 6.187 1.00 5.17 N ATOM 0 H HIS A 91 20.100 1.926 1.891 1.00 2.37 H new ATOM 0 HA HIS A 91 18.435 1.321 4.021 1.00 1.85 H new ATOM 0 HB2 HIS A 91 19.130 3.659 2.415 1.00 2.41 H new ATOM 0 HB3 HIS A 91 17.507 3.731 3.073 1.00 2.41 H new ATOM 0 HD2 HIS A 91 21.034 4.498 4.180 1.00 4.10 H new ATOM 0 HE1 HIS A 91 18.834 3.990 7.766 1.00 5.35 H new ATOM 0 HE2 HIS A 91 21.054 4.825 6.712 1.00 5.17 H new ATOM 1310 N PRO A 92 15.960 1.380 3.358 1.00 1.13 N ATOM 1311 CA PRO A 92 14.609 1.018 2.964 1.00 0.96 C ATOM 1312 C PRO A 92 13.964 2.128 2.132 1.00 0.85 C ATOM 1313 O PRO A 92 14.439 3.263 2.129 1.00 1.06 O ATOM 1314 CB PRO A 92 13.876 0.752 4.270 1.00 1.30 C ATOM 1315 CG PRO A 92 14.704 1.422 5.355 1.00 1.58 C ATOM 1316 CD PRO A 92 16.061 1.763 4.763 1.00 1.48 C ATOM 0 HA PRO A 92 14.580 0.139 2.320 1.00 0.96 H new ATOM 0 HB2 PRO A 92 12.866 1.160 4.241 1.00 1.30 H new ATOM 0 HB3 PRO A 92 13.782 -0.318 4.455 1.00 1.30 H new ATOM 0 HG2 PRO A 92 14.206 2.323 5.713 1.00 1.58 H new ATOM 0 HG3 PRO A 92 14.818 0.759 6.213 1.00 1.58 H new ATOM 0 HD2 PRO A 92 16.284 2.825 4.869 1.00 1.48 H new ATOM 0 HD3 PRO A 92 16.860 1.218 5.265 1.00 1.48 H new ATOM 1324 N ILE A 93 12.891 1.763 1.446 1.00 0.77 N ATOM 1325 CA ILE A 93 12.176 2.713 0.612 1.00 0.74 C ATOM 1326 C ILE A 93 10.718 2.792 1.070 1.00 0.72 C ATOM 1327 O ILE A 93 9.913 1.922 0.740 1.00 1.08 O ATOM 1328 CB ILE A 93 12.337 2.356 -0.867 1.00 0.85 C ATOM 1329 CG1 ILE A 93 13.816 2.269 -1.251 1.00 1.31 C ATOM 1330 CG2 ILE A 93 11.572 3.338 -1.755 1.00 1.51 C ATOM 1331 CD1 ILE A 93 14.347 0.845 -1.069 1.00 2.61 C ATOM 0 H ILE A 93 12.499 0.821 1.451 1.00 0.77 H new ATOM 0 HA ILE A 93 12.600 3.711 0.723 1.00 0.74 H new ATOM 0 HB ILE A 93 11.902 1.370 -1.030 1.00 0.85 H new ATOM 0 HG12 ILE A 93 13.945 2.579 -2.288 1.00 1.31 H new ATOM 0 HG13 ILE A 93 14.396 2.958 -0.637 1.00 1.31 H new ATOM 0 HG21 ILE A 93 11.703 3.061 -2.801 1.00 1.51 H new ATOM 0 HG22 ILE A 93 10.512 3.308 -1.502 1.00 1.51 H new ATOM 0 HG23 ILE A 93 11.954 4.346 -1.596 1.00 1.51 H new ATOM 0 HD11 ILE A 93 15.400 0.811 -1.349 1.00 2.61 H new ATOM 0 HD12 ILE A 93 14.239 0.547 -0.026 1.00 2.61 H new ATOM 0 HD13 ILE A 93 13.781 0.162 -1.702 1.00 2.61 H new ATOM 1343 N THR A 94 10.423 3.841 1.823 1.00 0.55 N ATOM 1344 CA THR A 94 9.076 4.044 2.329 1.00 0.55 C ATOM 1345 C THR A 94 8.222 4.779 1.293 1.00 0.51 C ATOM 1346 O THR A 94 8.699 5.698 0.629 1.00 0.65 O ATOM 1347 CB THR A 94 9.180 4.782 3.665 1.00 0.66 C ATOM 1348 OG1 THR A 94 9.978 5.924 3.369 1.00 0.67 O ATOM 1349 CG2 THR A 94 10.002 4.009 4.699 1.00 0.79 C ATOM 0 H THR A 94 11.094 4.560 2.095 1.00 0.55 H new ATOM 0 HA THR A 94 8.571 3.094 2.504 1.00 0.55 H new ATOM 0 HB THR A 94 8.180 4.962 4.059 1.00 0.66 H new ATOM 0 HG1 THR A 94 10.095 6.461 4.181 1.00 0.67 H new ATOM 0 HG21 THR A 94 10.044 4.577 5.628 1.00 0.79 H new ATOM 0 HG22 THR A 94 9.535 3.042 4.886 1.00 0.79 H new ATOM 0 HG23 THR A 94 11.013 3.857 4.320 1.00 0.79 H new ATOM 1357 N GLY A 95 6.974 4.346 1.189 1.00 0.45 N ATOM 1358 CA GLY A 95 6.049 4.951 0.245 1.00 0.43 C ATOM 1359 C GLY A 95 4.610 4.866 0.758 1.00 0.40 C ATOM 1360 O GLY A 95 4.311 4.072 1.648 1.00 0.48 O ATOM 0 H GLY A 95 6.582 3.584 1.742 1.00 0.45 H new ATOM 0 HA2 GLY A 95 6.320 5.994 0.082 1.00 0.43 H new ATOM 0 HA3 GLY A 95 6.126 4.448 -0.719 1.00 0.43 H new ATOM 1364 N SER A 96 3.758 5.696 0.174 1.00 0.43 N ATOM 1365 CA SER A 96 2.358 5.726 0.560 1.00 0.44 C ATOM 1366 C SER A 96 1.495 6.141 -0.633 1.00 0.41 C ATOM 1367 O SER A 96 1.907 6.966 -1.445 1.00 0.46 O ATOM 1368 CB SER A 96 2.131 6.679 1.737 1.00 0.56 C ATOM 1369 OG SER A 96 3.322 7.369 2.102 1.00 0.94 O ATOM 0 H SER A 96 4.011 6.353 -0.564 1.00 0.43 H new ATOM 0 HA SER A 96 2.069 4.724 0.878 1.00 0.44 H new ATOM 0 HB2 SER A 96 1.359 7.402 1.474 1.00 0.56 H new ATOM 0 HB3 SER A 96 1.761 6.115 2.594 1.00 0.56 H new ATOM 0 HG SER A 96 3.135 7.968 2.855 1.00 0.94 H new ATOM 1375 N VAL A 97 0.311 5.547 -0.700 1.00 0.39 N ATOM 1376 CA VAL A 97 -0.614 5.845 -1.779 1.00 0.36 C ATOM 1377 C VAL A 97 -1.979 6.210 -1.191 1.00 0.37 C ATOM 1378 O VAL A 97 -2.698 5.342 -0.700 1.00 0.36 O ATOM 1379 CB VAL A 97 -0.679 4.666 -2.753 1.00 0.35 C ATOM 1380 CG1 VAL A 97 -1.560 4.998 -3.959 1.00 0.45 C ATOM 1381 CG2 VAL A 97 0.724 4.245 -3.198 1.00 0.44 C ATOM 0 H VAL A 97 -0.027 4.862 -0.025 1.00 0.39 H new ATOM 0 HA VAL A 97 -0.267 6.705 -2.352 1.00 0.36 H new ATOM 0 HB VAL A 97 -1.132 3.824 -2.230 1.00 0.35 H new ATOM 0 HG11 VAL A 97 -1.589 4.143 -4.635 1.00 0.45 H new ATOM 0 HG12 VAL A 97 -2.570 5.226 -3.620 1.00 0.45 H new ATOM 0 HG13 VAL A 97 -1.149 5.861 -4.483 1.00 0.45 H new ATOM 0 HG21 VAL A 97 0.650 3.406 -3.889 1.00 0.44 H new ATOM 0 HG22 VAL A 97 1.215 5.082 -3.695 1.00 0.44 H new ATOM 0 HG23 VAL A 97 1.308 3.947 -2.327 1.00 0.44 H new ATOM 1391 N THR A 98 -2.293 7.495 -1.260 1.00 0.40 N ATOM 1392 CA THR A 98 -3.557 7.985 -0.740 1.00 0.42 C ATOM 1393 C THR A 98 -4.647 7.888 -1.809 1.00 0.40 C ATOM 1394 O THR A 98 -4.396 8.159 -2.983 1.00 0.41 O ATOM 1395 CB THR A 98 -3.337 9.408 -0.224 1.00 0.49 C ATOM 1396 OG1 THR A 98 -4.500 9.679 0.554 1.00 0.55 O ATOM 1397 CG2 THR A 98 -3.385 10.451 -1.343 1.00 0.52 C ATOM 0 H THR A 98 -1.693 8.212 -1.668 1.00 0.40 H new ATOM 0 HA THR A 98 -3.906 7.373 0.092 1.00 0.42 H new ATOM 0 HB THR A 98 -2.374 9.465 0.284 1.00 0.49 H new ATOM 0 HG1 THR A 98 -4.440 10.583 0.929 1.00 0.55 H new ATOM 0 HG21 THR A 98 -3.223 11.444 -0.922 1.00 0.52 H new ATOM 0 HG22 THR A 98 -2.606 10.236 -2.075 1.00 0.52 H new ATOM 0 HG23 THR A 98 -4.360 10.418 -1.830 1.00 0.52 H new ATOM 1405 N PHE A 99 -5.834 7.502 -1.366 1.00 0.39 N ATOM 1406 CA PHE A 99 -6.963 7.366 -2.270 1.00 0.38 C ATOM 1407 C PHE A 99 -8.285 7.601 -1.536 1.00 0.39 C ATOM 1408 O PHE A 99 -8.383 7.361 -0.334 1.00 0.39 O ATOM 1409 CB PHE A 99 -6.938 5.933 -2.805 1.00 0.35 C ATOM 1410 CG PHE A 99 -7.348 4.877 -1.777 1.00 0.33 C ATOM 1411 CD1 PHE A 99 -8.642 4.795 -1.365 1.00 1.82 C ATOM 1412 CD2 PHE A 99 -6.418 4.021 -1.274 1.00 1.66 C ATOM 1413 CE1 PHE A 99 -9.022 3.816 -0.410 1.00 1.82 C ATOM 1414 CE2 PHE A 99 -6.799 3.041 -0.320 1.00 1.66 C ATOM 1415 CZ PHE A 99 -8.093 2.959 0.093 1.00 0.34 C ATOM 0 H PHE A 99 -6.039 7.279 -0.392 1.00 0.39 H new ATOM 0 HA PHE A 99 -6.888 8.101 -3.072 1.00 0.38 H new ATOM 0 HB2 PHE A 99 -7.604 5.866 -3.665 1.00 0.35 H new ATOM 0 HB3 PHE A 99 -5.933 5.707 -3.162 1.00 0.35 H new ATOM 0 HD1 PHE A 99 -9.380 5.475 -1.765 1.00 1.82 H new ATOM 0 HD2 PHE A 99 -5.391 4.087 -1.600 1.00 1.66 H new ATOM 0 HE1 PHE A 99 -10.049 3.751 -0.083 1.00 1.82 H new ATOM 0 HE2 PHE A 99 -6.061 2.360 0.078 1.00 1.66 H new ATOM 0 HZ PHE A 99 -8.382 2.214 0.820 1.00 0.34 H new ATOM 1425 N LYS A 100 -9.269 8.067 -2.291 1.00 0.41 N ATOM 1426 CA LYS A 100 -10.581 8.336 -1.727 1.00 0.43 C ATOM 1427 C LYS A 100 -11.547 7.223 -2.138 1.00 0.40 C ATOM 1428 O LYS A 100 -11.251 6.442 -3.041 1.00 0.39 O ATOM 1429 CB LYS A 100 -11.055 9.737 -2.119 1.00 0.50 C ATOM 1430 CG LYS A 100 -10.223 10.814 -1.419 1.00 0.55 C ATOM 1431 CD LYS A 100 -11.124 11.854 -0.750 1.00 1.29 C ATOM 1432 CE LYS A 100 -10.292 12.929 -0.049 1.00 1.67 C ATOM 1433 NZ LYS A 100 -10.536 14.254 -0.660 1.00 2.29 N ATOM 0 H LYS A 100 -9.184 8.265 -3.288 1.00 0.41 H new ATOM 0 HA LYS A 100 -10.535 8.332 -0.638 1.00 0.43 H new ATOM 0 HB2 LYS A 100 -10.981 9.861 -3.199 1.00 0.50 H new ATOM 0 HB3 LYS A 100 -12.106 9.856 -1.856 1.00 0.50 H new ATOM 0 HG2 LYS A 100 -9.578 10.352 -0.672 1.00 0.55 H new ATOM 0 HG3 LYS A 100 -9.572 11.304 -2.143 1.00 0.55 H new ATOM 0 HD2 LYS A 100 -11.768 12.317 -1.497 1.00 1.29 H new ATOM 0 HD3 LYS A 100 -11.776 11.364 -0.027 1.00 1.29 H new ATOM 0 HE2 LYS A 100 -10.544 12.959 1.011 1.00 1.67 H new ATOM 0 HE3 LYS A 100 -9.233 12.680 -0.118 1.00 1.67 H new ATOM 0 HZ1 LYS A 100 -9.963 14.972 -0.172 1.00 2.29 H new ATOM 0 HZ2 LYS A 100 -10.273 14.226 -1.666 1.00 2.29 H new ATOM 0 HZ3 LYS A 100 -11.544 14.497 -0.572 1.00 2.29 H new ATOM 1447 N VAL A 101 -12.682 7.186 -1.455 1.00 0.42 N ATOM 1448 CA VAL A 101 -13.692 6.181 -1.738 1.00 0.42 C ATOM 1449 C VAL A 101 -15.081 6.797 -1.560 1.00 0.46 C ATOM 1450 O VAL A 101 -15.464 7.163 -0.450 1.00 0.47 O ATOM 1451 CB VAL A 101 -13.467 4.950 -0.858 1.00 0.40 C ATOM 1452 CG1 VAL A 101 -14.618 3.953 -1.006 1.00 0.48 C ATOM 1453 CG2 VAL A 101 -12.124 4.289 -1.174 1.00 0.42 C ATOM 0 H VAL A 101 -12.924 7.836 -0.707 1.00 0.42 H new ATOM 0 HA VAL A 101 -13.616 5.843 -2.771 1.00 0.42 H new ATOM 0 HB VAL A 101 -13.442 5.280 0.181 1.00 0.40 H new ATOM 0 HG11 VAL A 101 -14.433 3.087 -0.370 1.00 0.48 H new ATOM 0 HG12 VAL A 101 -15.552 4.429 -0.709 1.00 0.48 H new ATOM 0 HG13 VAL A 101 -14.689 3.631 -2.045 1.00 0.48 H new ATOM 0 HG21 VAL A 101 -11.989 3.417 -0.535 1.00 0.42 H new ATOM 0 HG22 VAL A 101 -12.108 3.979 -2.219 1.00 0.42 H new ATOM 0 HG23 VAL A 101 -11.317 5.000 -0.994 1.00 0.42 H new ATOM 1463 N LYS A 102 -15.798 6.892 -2.670 1.00 0.52 N ATOM 1464 CA LYS A 102 -17.137 7.458 -2.650 1.00 0.58 C ATOM 1465 C LYS A 102 -18.165 6.324 -2.673 1.00 0.67 C ATOM 1466 O LYS A 102 -19.369 6.574 -2.708 1.00 1.19 O ATOM 1467 CB LYS A 102 -17.309 8.467 -3.787 1.00 0.64 C ATOM 1468 CG LYS A 102 -16.221 9.541 -3.735 1.00 0.71 C ATOM 1469 CD LYS A 102 -16.785 10.870 -3.226 1.00 1.00 C ATOM 1470 CE LYS A 102 -17.411 11.673 -4.368 1.00 2.52 C ATOM 1471 NZ LYS A 102 -16.739 12.984 -4.507 1.00 3.12 N ATOM 1472 OXT LYS A 102 -17.800 5.153 -2.750 1.00 0.96 O ATOM 0 H LYS A 102 -15.478 6.587 -3.589 1.00 0.52 H new ATOM 0 HA LYS A 102 -17.300 8.019 -1.730 1.00 0.58 H new ATOM 0 HB2 LYS A 102 -17.269 7.950 -4.746 1.00 0.64 H new ATOM 0 HB3 LYS A 102 -18.291 8.935 -3.717 1.00 0.64 H new ATOM 0 HG2 LYS A 102 -15.411 9.212 -3.083 1.00 0.71 H new ATOM 0 HG3 LYS A 102 -15.794 9.680 -4.728 1.00 0.71 H new ATOM 0 HD2 LYS A 102 -17.534 10.681 -2.457 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -15.990 11.452 -2.760 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -17.329 11.115 -5.301 1.00 2.52 H new ATOM 0 HE3 LYS A 102 -18.474 11.821 -4.177 1.00 2.52 H new ATOM 0 HZ1 LYS A 102 -17.175 13.517 -5.286 1.00 3.12 H new ATOM 0 HZ2 LYS A 102 -16.839 13.521 -3.622 1.00 3.12 H new ATOM 0 HZ3 LYS A 102 -15.730 12.837 -4.711 1.00 3.12 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.739 1.422 -4.467 1.00 0.80 CU