USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 922 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 66 LYS NZ :NH3+ 138:sc= -0.379 (180deg=-1.3!) USER MOD Set 1.2: A 119 HIS : no HD1:sc= -4.11! C(o=-4.5!,f=-2!) USER MOD Set 2.1: A 100 SER OG : rot 150:sc= 0.00614 USER MOD Set 2.2: A 102 LYS NZ :NH3+ 177:sc= 0.00518 (180deg=0) USER MOD Set 3.1: A 87 THR OG1 : rot -100:sc= 0.474 USER MOD Set 3.2: A 90 SER OG : rot -90:sc= 0.384 USER MOD Set 4.1: A 48 HIS : no HE2:sc= -6.07! C(o=-7.1!,f=-11!) USER MOD Set 4.2: A 82 THR OG1 : rot 162:sc= -1.08! USER MOD Set 5.1: A 75 SER OG : rot -124:sc= 1.21 USER MOD Set 5.2: A 79 MET CE :methyl 147:sc= -0.605 (180deg=-1.66) USER MOD Set 6.1: A 23 SER OG : rot 180:sc= 0.0148 USER MOD Set 6.2: A 24 THR OG1 : rot 180:sc= 0.0045 USER MOD Set 7.1: A 12 HIS : no HD1:sc= -8.66! C(o=-11!,f=-14!) USER MOD Set 7.2: A 44 ASN : amide:sc= -1.84 K(o=-11,f=-11!) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.0428 (180deg=-0.313) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -8.48! C(o=-8.5!,f=-15!) USER MOD Single : A 11 GLN : amide:sc= -0.0998 K(o=-0.1,f=-3.2!) USER MOD Single : A 13 MET CE :methyl -151:sc= -2.45! (180deg=-5.12!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -61:sc= 0.169 USER MOD Single : A 21 SER OG : rot -157:sc= 0.89 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 56:sc= -0.79! USER MOD Single : A 27 ASN : amide:sc= -4.78! C(o=-4.8!,f=-7.8!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 155:sc= -2.91! (180deg=-4.58!) USER MOD Single : A 34 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.1) USER MOD Single : A 35 MET CE :methyl -167:sc= 0 (180deg=-0.128) USER MOD Single : A 36 THR OG1 : rot 120:sc= -4.04 USER MOD Single : A 37 GLN : amide:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -8.05! C(o=-8!,f=-4.9!) USER MOD Single : A 56 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.1) USER MOD Single : A 60 GLN : amide:sc= -2.5! K(o=-2.5!,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 67 ASN : amide:sc= -2.04 K(o=-2,f=-9!) USER MOD Single : A 69 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.26) USER MOD Single : A 71 ASN : amide:sc= -4.89! C(o=-4.9!,f=-5.1!) USER MOD Single : A 73 TYR OH : rot 104:sc= 0.811 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.078) USER MOD Single : A 88 ASN : amide:sc= 0.456 X(o=0.46,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : A 97 TYR OH : rot 40:sc= -0.464 USER MOD Single : A 99 THR OG1 : rot 155:sc= 1.33 USER MOD Single : A 105 HIS : no HE2:sc= -8.1! C(o=-8.1!,f=-12!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0.00399 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -5.842 -0.705 -7.202 1.00 74.15 N ATOM 50 CA ARG A 4 -6.683 -1.830 -7.593 1.00 74.12 C ATOM 51 C ARG A 4 -6.226 -2.413 -8.927 1.00 54.13 C ATOM 52 O ARG A 4 -6.143 -3.630 -9.088 1.00 71.11 O ATOM 53 CB ARG A 4 -8.146 -1.391 -7.690 1.00 62.53 C ATOM 54 CG ARG A 4 -9.101 -2.526 -8.024 1.00 41.34 C ATOM 55 CD ARG A 4 -10.527 -2.024 -8.184 1.00 54.23 C ATOM 56 NE ARG A 4 -11.432 -3.080 -8.631 1.00 52.53 N ATOM 57 CZ ARG A 4 -12.016 -3.944 -7.809 1.00 15.31 C ATOM 58 NH1 ARG A 4 -11.792 -3.877 -6.504 1.00 32.42 N ATOM 59 NH2 ARG A 4 -12.827 -4.876 -8.292 1.00 35.44 N ATOM 0 HA ARG A 4 -6.592 -2.602 -6.829 1.00 74.12 H new ATOM 0 HB2 ARG A 4 -8.446 -0.942 -6.743 1.00 62.53 H new ATOM 0 HB3 ARG A 4 -8.235 -0.617 -8.452 1.00 62.53 H new ATOM 0 HG2 ARG A 4 -8.780 -3.014 -8.944 1.00 41.34 H new ATOM 0 HG3 ARG A 4 -9.065 -3.278 -7.235 1.00 41.34 H new ATOM 0 HD2 ARG A 4 -10.879 -1.623 -7.233 1.00 54.23 H new ATOM 0 HD3 ARG A 4 -10.544 -1.204 -8.902 1.00 54.23 H new ATOM 0 HE ARG A 4 -11.626 -3.158 -9.629 1.00 52.53 H new ATOM 0 HH11 ARG A 4 -11.170 -3.161 -6.129 1.00 32.42 H new ATOM 0 HH12 ARG A 4 -12.242 -4.542 -5.875 1.00 32.42 H new ATOM 0 HH21 ARG A 4 -13.002 -4.929 -9.295 1.00 35.44 H new ATOM 0 HH22 ARG A 4 -13.275 -5.539 -7.660 1.00 35.44 H new ATOM 73 N ALA A 5 -5.932 -1.535 -9.881 1.00 33.21 N ATOM 74 CA ALA A 5 -5.482 -1.962 -11.200 1.00 35.40 C ATOM 75 C ALA A 5 -4.350 -2.977 -11.092 1.00 23.54 C ATOM 76 O ALA A 5 -4.266 -3.917 -11.883 1.00 43.21 O ATOM 77 CB ALA A 5 -5.040 -0.761 -12.022 1.00 11.45 C ATOM 0 H ALA A 5 -5.998 -0.524 -9.765 1.00 33.21 H new ATOM 0 HA ALA A 5 -6.320 -2.444 -11.704 1.00 35.40 H new ATOM 0 HB1 ALA A 5 -4.707 -1.095 -13.004 1.00 11.45 H new ATOM 0 HB2 ALA A 5 -5.876 -0.072 -12.138 1.00 11.45 H new ATOM 0 HB3 ALA A 5 -4.220 -0.254 -11.514 1.00 11.45 H new ATOM 83 N LYS A 6 -3.479 -2.782 -10.107 1.00 61.41 N ATOM 84 CA LYS A 6 -2.350 -3.681 -9.894 1.00 54.30 C ATOM 85 C LYS A 6 -2.827 -5.118 -9.706 1.00 44.42 C ATOM 86 O LYS A 6 -2.251 -6.052 -10.265 1.00 3.43 O ATOM 87 CB LYS A 6 -1.542 -3.236 -8.673 1.00 21.40 C ATOM 88 CG LYS A 6 -0.601 -2.078 -8.955 1.00 53.31 C ATOM 89 CD LYS A 6 0.735 -2.562 -9.491 1.00 63.23 C ATOM 90 CE LYS A 6 1.442 -1.477 -10.289 1.00 23.21 C ATOM 91 NZ LYS A 6 0.744 -1.188 -11.572 1.00 41.11 N ATOM 0 H LYS A 6 -3.533 -2.009 -9.443 1.00 61.41 H new ATOM 0 HA LYS A 6 -1.713 -3.641 -10.778 1.00 54.30 H new ATOM 0 HB2 LYS A 6 -2.230 -2.949 -7.878 1.00 21.40 H new ATOM 0 HB3 LYS A 6 -0.963 -4.082 -8.303 1.00 21.40 H new ATOM 0 HG2 LYS A 6 -1.060 -1.403 -9.677 1.00 53.31 H new ATOM 0 HG3 LYS A 6 -0.442 -1.507 -8.040 1.00 53.31 H new ATOM 0 HD2 LYS A 6 1.369 -2.876 -8.662 1.00 63.23 H new ATOM 0 HD3 LYS A 6 0.579 -3.437 -10.123 1.00 63.23 H new ATOM 0 HE2 LYS A 6 1.498 -0.566 -9.693 1.00 23.21 H new ATOM 0 HE3 LYS A 6 2.467 -1.787 -10.495 1.00 23.21 H new ATOM 0 HZ1 LYS A 6 1.406 -0.733 -12.233 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 0.397 -2.077 -11.986 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 -0.059 -0.552 -11.394 1.00 41.11 H new ATOM 105 N LYS A 7 -3.882 -5.288 -8.918 1.00 13.14 N ATOM 106 CA LYS A 7 -4.438 -6.610 -8.658 1.00 35.41 C ATOM 107 C LYS A 7 -4.960 -7.243 -9.944 1.00 32.31 C ATOM 108 O LYS A 7 -4.853 -8.454 -10.140 1.00 22.14 O ATOM 109 CB LYS A 7 -5.567 -6.519 -7.628 1.00 3.51 C ATOM 110 CG LYS A 7 -5.910 -7.849 -6.982 1.00 31.44 C ATOM 111 CD LYS A 7 -6.952 -7.686 -5.887 1.00 44.34 C ATOM 112 CE LYS A 7 -7.002 -8.905 -4.979 1.00 54.23 C ATOM 113 NZ LYS A 7 -5.993 -8.826 -3.887 1.00 42.45 N ATOM 0 H LYS A 7 -4.370 -4.526 -8.448 1.00 13.14 H new ATOM 0 HA LYS A 7 -3.642 -7.239 -8.260 1.00 35.41 H new ATOM 0 HB2 LYS A 7 -5.282 -5.810 -6.851 1.00 3.51 H new ATOM 0 HB3 LYS A 7 -6.458 -6.120 -8.112 1.00 3.51 H new ATOM 0 HG2 LYS A 7 -6.283 -8.537 -7.740 1.00 31.44 H new ATOM 0 HG3 LYS A 7 -5.008 -8.294 -6.563 1.00 31.44 H new ATOM 0 HD2 LYS A 7 -6.724 -6.799 -5.295 1.00 44.34 H new ATOM 0 HD3 LYS A 7 -7.932 -7.526 -6.337 1.00 44.34 H new ATOM 0 HE2 LYS A 7 -7.999 -8.995 -4.547 1.00 54.23 H new ATOM 0 HE3 LYS A 7 -6.828 -9.805 -5.569 1.00 54.23 H new ATOM 0 HZ1 LYS A 7 -6.060 -9.675 -3.291 1.00 42.45 H new ATOM 0 HZ2 LYS A 7 -5.040 -8.766 -4.299 1.00 42.45 H new ATOM 0 HZ3 LYS A 7 -6.174 -7.981 -3.308 1.00 42.45 H new ATOM 127 N PHE A 8 -5.524 -6.417 -10.818 1.00 51.24 N ATOM 128 CA PHE A 8 -6.062 -6.896 -12.086 1.00 71.02 C ATOM 129 C PHE A 8 -4.991 -7.627 -12.890 1.00 44.32 C ATOM 130 O PHE A 8 -5.294 -8.526 -13.673 1.00 71.42 O ATOM 131 CB PHE A 8 -6.620 -5.728 -12.902 1.00 41.10 C ATOM 132 CG PHE A 8 -7.069 -6.120 -14.281 1.00 4.22 C ATOM 133 CD1 PHE A 8 -8.317 -6.686 -14.482 1.00 70.24 C ATOM 134 CD2 PHE A 8 -6.242 -5.921 -15.375 1.00 75.42 C ATOM 135 CE1 PHE A 8 -8.732 -7.049 -15.750 1.00 1.50 C ATOM 136 CE2 PHE A 8 -6.652 -6.281 -16.645 1.00 72.33 C ATOM 137 CZ PHE A 8 -7.899 -6.845 -16.833 1.00 11.31 C ATOM 0 H PHE A 8 -5.621 -5.412 -10.672 1.00 51.24 H new ATOM 0 HA PHE A 8 -6.869 -7.596 -11.868 1.00 71.02 H new ATOM 0 HB2 PHE A 8 -7.462 -5.290 -12.366 1.00 41.10 H new ATOM 0 HB3 PHE A 8 -5.856 -4.955 -12.983 1.00 41.10 H new ATOM 0 HD1 PHE A 8 -8.973 -6.846 -13.639 1.00 70.24 H new ATOM 0 HD2 PHE A 8 -5.266 -5.480 -15.234 1.00 75.42 H new ATOM 0 HE1 PHE A 8 -9.707 -7.492 -15.894 1.00 1.50 H new ATOM 0 HE2 PHE A 8 -5.998 -6.122 -17.490 1.00 72.33 H new ATOM 0 HZ PHE A 8 -8.222 -7.126 -17.825 1.00 11.31 H new ATOM 147 N GLN A 9 -3.737 -7.232 -12.690 1.00 73.14 N ATOM 148 CA GLN A 9 -2.621 -7.848 -13.398 1.00 21.24 C ATOM 149 C GLN A 9 -2.404 -9.283 -12.927 1.00 41.24 C ATOM 150 O GLN A 9 -2.371 -10.212 -13.734 1.00 23.30 O ATOM 151 CB GLN A 9 -1.344 -7.032 -13.189 1.00 14.24 C ATOM 152 CG GLN A 9 -1.157 -5.923 -14.212 1.00 23.41 C ATOM 153 CD GLN A 9 -2.473 -5.363 -14.713 1.00 71.35 C ATOM 154 OE1 GLN A 9 -3.146 -5.976 -15.542 1.00 73.44 O ATOM 155 NE2 GLN A 9 -2.848 -4.192 -14.212 1.00 63.03 N ATOM 0 H GLN A 9 -3.469 -6.489 -12.044 1.00 73.14 H new ATOM 0 HA GLN A 9 -2.863 -7.866 -14.461 1.00 21.24 H new ATOM 0 HB2 GLN A 9 -1.361 -6.595 -12.191 1.00 14.24 H new ATOM 0 HB3 GLN A 9 -0.484 -7.701 -13.229 1.00 14.24 H new ATOM 0 HG2 GLN A 9 -0.570 -5.119 -13.767 1.00 23.41 H new ATOM 0 HG3 GLN A 9 -0.584 -6.306 -15.057 1.00 23.41 H new ATOM 0 HE21 GLN A 9 -2.259 -3.718 -13.527 1.00 63.03 H new ATOM 0 HE22 GLN A 9 -3.725 -3.766 -14.512 1.00 63.03 H new ATOM 164 N ARG A 10 -2.256 -9.455 -11.618 1.00 32.11 N ATOM 165 CA ARG A 10 -2.041 -10.776 -11.041 1.00 24.42 C ATOM 166 C ARG A 10 -3.355 -11.544 -10.934 1.00 61.22 C ATOM 167 O ARG A 10 -3.426 -12.582 -10.277 1.00 60.42 O ATOM 168 CB ARG A 10 -1.396 -10.654 -9.659 1.00 3.30 C ATOM 169 CG ARG A 10 0.120 -10.547 -9.701 1.00 71.54 C ATOM 170 CD ARG A 10 0.697 -10.259 -8.324 1.00 70.53 C ATOM 171 NE ARG A 10 2.134 -10.006 -8.375 1.00 43.42 N ATOM 172 CZ ARG A 10 2.791 -9.309 -7.454 1.00 74.10 C ATOM 173 NH1 ARG A 10 2.142 -8.800 -6.416 1.00 32.22 N ATOM 174 NH2 ARG A 10 4.099 -9.121 -7.570 1.00 50.11 N ATOM 0 H ARG A 10 -2.281 -8.696 -10.937 1.00 32.11 H new ATOM 0 HA ARG A 10 -1.371 -11.327 -11.700 1.00 24.42 H new ATOM 0 HB2 ARG A 10 -1.800 -9.776 -9.155 1.00 3.30 H new ATOM 0 HB3 ARG A 10 -1.674 -11.521 -9.060 1.00 3.30 H new ATOM 0 HG2 ARG A 10 0.541 -11.476 -10.086 1.00 71.54 H new ATOM 0 HG3 ARG A 10 0.411 -9.755 -10.391 1.00 71.54 H new ATOM 0 HD2 ARG A 10 0.192 -9.395 -7.893 1.00 70.53 H new ATOM 0 HD3 ARG A 10 0.501 -11.105 -7.665 1.00 70.53 H new ATOM 0 HE ARG A 10 2.663 -10.385 -9.161 1.00 43.42 H new ATOM 0 HH11 ARG A 10 1.136 -8.943 -6.323 1.00 32.22 H new ATOM 0 HH12 ARG A 10 2.648 -8.265 -5.710 1.00 32.22 H new ATOM 0 HH21 ARG A 10 4.602 -9.512 -8.367 1.00 50.11 H new ATOM 0 HH22 ARG A 10 4.602 -8.586 -6.862 1.00 50.11 H new ATOM 188 N GLN A 11 -4.392 -11.025 -11.584 1.00 63.41 N ATOM 189 CA GLN A 11 -5.703 -11.662 -11.561 1.00 14.13 C ATOM 190 C GLN A 11 -5.922 -12.504 -12.813 1.00 70.40 C ATOM 191 O GLN A 11 -6.111 -13.719 -12.732 1.00 15.53 O ATOM 192 CB GLN A 11 -6.804 -10.606 -11.444 1.00 1.05 C ATOM 193 CG GLN A 11 -7.251 -10.350 -10.013 1.00 53.45 C ATOM 194 CD GLN A 11 -8.558 -9.585 -9.939 1.00 73.10 C ATOM 195 OE1 GLN A 11 -8.646 -8.439 -10.380 1.00 54.13 O ATOM 196 NE2 GLN A 11 -9.583 -10.217 -9.379 1.00 20.12 N ATOM 0 H GLN A 11 -4.349 -10.166 -12.132 1.00 63.41 H new ATOM 0 HA GLN A 11 -5.744 -12.319 -10.692 1.00 14.13 H new ATOM 0 HB2 GLN A 11 -6.447 -9.672 -11.877 1.00 1.05 H new ATOM 0 HB3 GLN A 11 -7.664 -10.923 -12.034 1.00 1.05 H new ATOM 0 HG2 GLN A 11 -7.362 -11.303 -9.495 1.00 53.45 H new ATOM 0 HG3 GLN A 11 -6.476 -9.790 -9.489 1.00 53.45 H new ATOM 0 HE21 GLN A 11 -9.466 -11.167 -9.027 1.00 20.12 H new ATOM 0 HE22 GLN A 11 -10.488 -9.752 -9.301 1.00 20.12 H new ATOM 205 N HIS A 12 -5.895 -11.853 -13.971 1.00 41.52 N ATOM 206 CA HIS A 12 -6.090 -12.542 -15.241 1.00 61.35 C ATOM 207 C HIS A 12 -4.851 -12.418 -16.123 1.00 23.52 C ATOM 208 O HIS A 12 -4.477 -13.361 -16.820 1.00 40.14 O ATOM 209 CB HIS A 12 -7.308 -11.976 -15.972 1.00 10.03 C ATOM 210 CG HIS A 12 -8.336 -11.388 -15.055 1.00 11.11 C ATOM 211 ND1 HIS A 12 -9.571 -11.963 -14.842 1.00 53.40 N ATOM 212 CD2 HIS A 12 -8.306 -10.270 -14.292 1.00 72.21 C ATOM 213 CE1 HIS A 12 -10.257 -11.223 -13.989 1.00 55.13 C ATOM 214 NE2 HIS A 12 -9.512 -10.190 -13.640 1.00 30.01 N ATOM 0 H HIS A 12 -5.740 -10.848 -14.056 1.00 41.52 H new ATOM 0 HA HIS A 12 -6.260 -13.598 -15.030 1.00 61.35 H new ATOM 0 HB2 HIS A 12 -6.977 -11.210 -16.673 1.00 10.03 H new ATOM 0 HB3 HIS A 12 -7.769 -12.769 -16.561 1.00 10.03 H new ATOM 0 HD2 HIS A 12 -7.486 -9.571 -14.211 1.00 72.21 H new ATOM 0 HE1 HIS A 12 -11.257 -11.428 -13.637 1.00 55.13 H new ATOM 0 HE2 HIS A 12 -9.788 -9.452 -12.992 1.00 30.01 H new ATOM 222 N MET A 13 -4.219 -11.250 -16.086 1.00 43.00 N ATOM 223 CA MET A 13 -3.021 -11.004 -16.881 1.00 54.24 C ATOM 224 C MET A 13 -1.885 -11.927 -16.454 1.00 33.53 C ATOM 225 O MET A 13 -1.252 -11.711 -15.420 1.00 52.22 O ATOM 226 CB MET A 13 -2.585 -9.544 -16.747 1.00 12.41 C ATOM 227 CG MET A 13 -3.594 -8.554 -17.308 1.00 24.02 C ATOM 228 SD MET A 13 -3.776 -8.686 -19.097 1.00 24.43 S ATOM 229 CE MET A 13 -2.088 -8.413 -19.630 1.00 3.30 C ATOM 0 H MET A 13 -4.516 -10.459 -15.514 1.00 43.00 H new ATOM 0 HA MET A 13 -3.260 -11.210 -17.924 1.00 54.24 H new ATOM 0 HB2 MET A 13 -2.415 -9.319 -15.694 1.00 12.41 H new ATOM 0 HB3 MET A 13 -1.633 -9.409 -17.260 1.00 12.41 H new ATOM 0 HG2 MET A 13 -4.562 -8.720 -16.835 1.00 24.02 H new ATOM 0 HG3 MET A 13 -3.284 -7.541 -17.052 1.00 24.02 H new ATOM 0 HE1 MET A 13 -2.088 -7.961 -20.622 1.00 3.30 H new ATOM 0 HE2 MET A 13 -1.588 -7.746 -18.928 1.00 3.30 H new ATOM 0 HE3 MET A 13 -1.559 -9.365 -19.665 1.00 3.30 H new ATOM 239 N ASP A 14 -1.633 -12.957 -17.254 1.00 63.03 N ATOM 240 CA ASP A 14 -0.572 -13.913 -16.959 1.00 32.33 C ATOM 241 C ASP A 14 0.489 -13.904 -18.054 1.00 41.34 C ATOM 242 O ASP A 14 1.279 -14.840 -18.176 1.00 31.13 O ATOM 243 CB ASP A 14 -1.153 -15.320 -16.806 1.00 23.10 C ATOM 244 CG ASP A 14 -1.231 -16.060 -18.127 1.00 32.44 C ATOM 245 OD1 ASP A 14 -0.248 -16.742 -18.483 1.00 70.53 O ATOM 246 OD2 ASP A 14 -2.276 -15.957 -18.804 1.00 65.10 O ATOM 0 H ASP A 14 -2.149 -13.151 -18.112 1.00 63.03 H new ATOM 0 HA ASP A 14 -0.102 -13.618 -16.021 1.00 32.33 H new ATOM 0 HB2 ASP A 14 -0.539 -15.890 -16.109 1.00 23.10 H new ATOM 0 HB3 ASP A 14 -2.150 -15.253 -16.371 1.00 23.10 H new ATOM 251 N SER A 15 0.501 -12.840 -18.851 1.00 14.52 N ATOM 252 CA SER A 15 1.461 -12.710 -19.940 1.00 65.20 C ATOM 253 C SER A 15 2.782 -13.387 -19.583 1.00 54.31 C ATOM 254 O SER A 15 3.439 -13.980 -20.438 1.00 42.45 O ATOM 255 CB SER A 15 1.703 -11.234 -20.263 1.00 74.41 C ATOM 256 OG SER A 15 2.330 -10.571 -19.179 1.00 61.14 O ATOM 0 H SER A 15 -0.144 -12.055 -18.762 1.00 14.52 H new ATOM 0 HA SER A 15 1.045 -13.203 -20.819 1.00 65.20 H new ATOM 0 HB2 SER A 15 2.326 -11.151 -21.154 1.00 74.41 H new ATOM 0 HB3 SER A 15 0.754 -10.748 -20.491 1.00 74.41 H new ATOM 0 HG SER A 15 2.475 -9.630 -19.411 1.00 61.14 H new ATOM 262 N ASP A 16 3.163 -13.293 -18.314 1.00 34.10 N ATOM 263 CA ASP A 16 4.404 -13.896 -17.842 1.00 35.33 C ATOM 264 C ASP A 16 4.653 -15.235 -18.529 1.00 34.43 C ATOM 265 O ASP A 16 5.725 -15.468 -19.087 1.00 53.11 O ATOM 266 CB ASP A 16 4.358 -14.088 -16.325 1.00 54.20 C ATOM 267 CG ASP A 16 5.740 -14.143 -15.706 1.00 45.42 C ATOM 268 OD1 ASP A 16 6.668 -13.528 -16.273 1.00 21.15 O ATOM 269 OD2 ASP A 16 5.895 -14.801 -14.656 1.00 3.20 O ATOM 0 H ASP A 16 2.630 -12.805 -17.594 1.00 34.10 H new ATOM 0 HA ASP A 16 5.224 -13.222 -18.091 1.00 35.33 H new ATOM 0 HB2 ASP A 16 3.794 -13.271 -15.875 1.00 54.20 H new ATOM 0 HB3 ASP A 16 3.823 -15.009 -16.094 1.00 54.20 H new ATOM 274 N SER A 17 3.655 -16.113 -18.482 1.00 64.04 N ATOM 275 CA SER A 17 3.768 -17.431 -19.096 1.00 21.10 C ATOM 276 C SER A 17 3.412 -17.372 -20.578 1.00 62.44 C ATOM 277 O SER A 17 3.051 -16.318 -21.100 1.00 41.41 O ATOM 278 CB SER A 17 2.857 -18.430 -18.380 1.00 54.32 C ATOM 279 OG SER A 17 3.128 -18.462 -16.990 1.00 20.13 O ATOM 0 H SER A 17 2.760 -15.935 -18.026 1.00 64.04 H new ATOM 0 HA SER A 17 4.802 -17.761 -19.002 1.00 21.10 H new ATOM 0 HB2 SER A 17 1.814 -18.158 -18.544 1.00 54.32 H new ATOM 0 HB3 SER A 17 2.998 -19.424 -18.804 1.00 54.32 H new ATOM 0 HG SER A 17 2.532 -19.107 -16.555 1.00 20.13 H new ATOM 285 N SER A 18 3.517 -18.514 -21.251 1.00 41.23 N ATOM 286 CA SER A 18 3.210 -18.593 -22.675 1.00 25.03 C ATOM 287 C SER A 18 1.907 -19.350 -22.908 1.00 73.33 C ATOM 288 O SER A 18 1.523 -20.230 -22.137 1.00 10.33 O ATOM 289 CB SER A 18 4.353 -19.278 -23.427 1.00 21.01 C ATOM 290 OG SER A 18 5.405 -18.367 -23.696 1.00 30.34 O ATOM 0 H SER A 18 3.812 -19.397 -20.833 1.00 41.23 H new ATOM 0 HA SER A 18 3.093 -17.578 -23.054 1.00 25.03 H new ATOM 0 HB2 SER A 18 4.732 -20.112 -22.837 1.00 21.01 H new ATOM 0 HB3 SER A 18 3.979 -19.693 -24.363 1.00 21.01 H new ATOM 0 HG SER A 18 6.124 -18.830 -24.176 1.00 30.34 H new ATOM 296 N PRO A 19 1.208 -19.002 -23.999 1.00 2.41 N ATOM 297 CA PRO A 19 -0.063 -19.636 -24.361 1.00 0.40 C ATOM 298 C PRO A 19 0.119 -21.079 -24.819 1.00 13.23 C ATOM 299 O PRO A 19 1.170 -21.682 -24.601 1.00 14.54 O ATOM 300 CB PRO A 19 -0.576 -18.769 -25.514 1.00 64.42 C ATOM 301 CG PRO A 19 0.650 -18.163 -26.106 1.00 14.30 C ATOM 302 CD PRO A 19 1.606 -17.962 -24.963 1.00 13.11 C ATOM 0 HA PRO A 19 -0.747 -19.691 -23.514 1.00 0.40 H new ATOM 0 HB2 PRO A 19 -1.117 -19.366 -26.248 1.00 64.42 H new ATOM 0 HB3 PRO A 19 -1.264 -18.003 -25.157 1.00 64.42 H new ATOM 0 HG2 PRO A 19 1.081 -18.816 -26.865 1.00 14.30 H new ATOM 0 HG3 PRO A 19 0.420 -17.216 -26.594 1.00 14.30 H new ATOM 0 HD2 PRO A 19 2.642 -18.083 -25.280 1.00 13.11 H new ATOM 0 HD3 PRO A 19 1.518 -16.963 -24.536 1.00 13.11 H new ATOM 310 N SER A 20 -0.912 -21.627 -25.455 1.00 25.23 N ATOM 311 CA SER A 20 -0.866 -23.001 -25.940 1.00 73.44 C ATOM 312 C SER A 20 -0.507 -23.965 -24.813 1.00 50.51 C ATOM 313 O SER A 20 0.363 -24.822 -24.968 1.00 12.34 O ATOM 314 CB SER A 20 0.148 -23.129 -27.078 1.00 61.35 C ATOM 315 OG SER A 20 0.005 -24.368 -27.752 1.00 50.45 O ATOM 0 H SER A 20 -1.788 -21.141 -25.646 1.00 25.23 H new ATOM 0 HA SER A 20 -1.856 -23.260 -26.314 1.00 73.44 H new ATOM 0 HB2 SER A 20 0.012 -22.310 -27.784 1.00 61.35 H new ATOM 0 HB3 SER A 20 1.159 -23.043 -26.680 1.00 61.35 H new ATOM 0 HG SER A 20 0.159 -25.103 -27.122 1.00 50.45 H new ATOM 321 N SER A 21 -1.183 -23.816 -23.679 1.00 35.35 N ATOM 322 CA SER A 21 -0.934 -24.670 -22.523 1.00 1.43 C ATOM 323 C SER A 21 -1.435 -26.088 -22.776 1.00 71.14 C ATOM 324 O SER A 21 -0.645 -27.016 -22.949 1.00 42.12 O ATOM 325 CB SER A 21 -1.613 -24.092 -21.279 1.00 44.44 C ATOM 326 OG SER A 21 -0.844 -23.040 -20.721 1.00 52.13 O ATOM 0 H SER A 21 -1.907 -23.112 -23.535 1.00 35.35 H new ATOM 0 HA SER A 21 0.143 -24.708 -22.357 1.00 1.43 H new ATOM 0 HB2 SER A 21 -2.605 -23.723 -21.540 1.00 44.44 H new ATOM 0 HB3 SER A 21 -1.751 -24.879 -20.537 1.00 44.44 H new ATOM 0 HG SER A 21 -1.072 -22.935 -19.774 1.00 52.13 H new ATOM 332 N SER A 22 -2.754 -26.248 -22.797 1.00 75.02 N ATOM 333 CA SER A 22 -3.363 -27.553 -23.026 1.00 22.42 C ATOM 334 C SER A 22 -3.089 -28.493 -21.855 1.00 51.31 C ATOM 335 O SER A 22 -2.863 -29.688 -22.044 1.00 35.04 O ATOM 336 CB SER A 22 -2.831 -28.168 -24.322 1.00 50.52 C ATOM 337 OG SER A 22 -2.996 -27.278 -25.413 1.00 4.11 O ATOM 0 H SER A 22 -3.422 -25.490 -22.658 1.00 75.02 H new ATOM 0 HA SER A 22 -4.440 -27.413 -23.114 1.00 22.42 H new ATOM 0 HB2 SER A 22 -1.776 -28.414 -24.205 1.00 50.52 H new ATOM 0 HB3 SER A 22 -3.355 -29.101 -24.527 1.00 50.52 H new ATOM 0 HG SER A 22 -2.647 -27.693 -26.229 1.00 4.11 H new ATOM 343 N SER A 23 -3.111 -27.942 -20.645 1.00 62.34 N ATOM 344 CA SER A 23 -2.861 -28.729 -19.443 1.00 53.11 C ATOM 345 C SER A 23 -3.512 -28.081 -18.225 1.00 55.21 C ATOM 346 O SER A 23 -4.146 -27.030 -18.330 1.00 5.44 O ATOM 347 CB SER A 23 -1.357 -28.881 -19.211 1.00 22.12 C ATOM 348 OG SER A 23 -1.075 -30.029 -18.429 1.00 12.23 O ATOM 0 H SER A 23 -3.299 -26.955 -20.471 1.00 62.34 H new ATOM 0 HA SER A 23 -3.301 -29.716 -19.587 1.00 53.11 H new ATOM 0 HB2 SER A 23 -0.844 -28.955 -20.170 1.00 22.12 H new ATOM 0 HB3 SER A 23 -0.971 -27.993 -18.711 1.00 22.12 H new ATOM 0 HG SER A 23 -0.107 -30.105 -18.296 1.00 12.23 H new ATOM 354 N THR A 24 -3.353 -28.716 -17.068 1.00 44.11 N ATOM 355 CA THR A 24 -3.925 -28.204 -15.830 1.00 10.24 C ATOM 356 C THR A 24 -3.410 -26.802 -15.524 1.00 40.02 C ATOM 357 O THR A 24 -3.747 -26.217 -14.495 1.00 14.31 O ATOM 358 CB THR A 24 -3.605 -29.127 -14.639 1.00 3.12 C ATOM 359 OG1 THR A 24 -2.242 -29.561 -14.709 1.00 31.54 O ATOM 360 CG2 THR A 24 -4.528 -30.336 -14.628 1.00 1.25 C ATOM 0 H THR A 24 -2.832 -29.587 -16.963 1.00 44.11 H new ATOM 0 HA THR A 24 -5.005 -28.168 -15.973 1.00 10.24 H new ATOM 0 HB THR A 24 -3.760 -28.564 -13.719 1.00 3.12 H new ATOM 0 HG1 THR A 24 -2.045 -30.146 -13.948 1.00 31.54 H new ATOM 0 HG21 THR A 24 -4.283 -30.973 -13.778 1.00 1.25 H new ATOM 0 HG22 THR A 24 -5.563 -30.003 -14.546 1.00 1.25 H new ATOM 0 HG23 THR A 24 -4.401 -30.899 -15.552 1.00 1.25 H new ATOM 368 N TYR A 25 -2.592 -26.268 -16.424 1.00 61.34 N ATOM 369 CA TYR A 25 -2.029 -24.935 -16.250 1.00 2.21 C ATOM 370 C TYR A 25 -2.997 -24.029 -15.496 1.00 54.30 C ATOM 371 O TYR A 25 -2.614 -23.341 -14.549 1.00 71.30 O ATOM 372 CB TYR A 25 -1.690 -24.320 -17.609 1.00 11.52 C ATOM 373 CG TYR A 25 -1.625 -22.809 -17.590 1.00 61.02 C ATOM 374 CD1 TYR A 25 -0.438 -22.149 -17.298 1.00 41.44 C ATOM 375 CD2 TYR A 25 -2.751 -22.042 -17.866 1.00 25.23 C ATOM 376 CE1 TYR A 25 -0.374 -20.769 -17.280 1.00 11.15 C ATOM 377 CE2 TYR A 25 -2.696 -20.662 -17.851 1.00 4.14 C ATOM 378 CZ TYR A 25 -1.505 -20.030 -17.557 1.00 14.15 C ATOM 379 OH TYR A 25 -1.446 -18.655 -17.540 1.00 64.32 O ATOM 0 H TYR A 25 -2.304 -26.738 -17.282 1.00 61.34 H new ATOM 0 HA TYR A 25 -1.115 -25.028 -15.663 1.00 2.21 H new ATOM 0 HB2 TYR A 25 -0.731 -24.712 -17.947 1.00 11.52 H new ATOM 0 HB3 TYR A 25 -2.438 -24.634 -18.337 1.00 11.52 H new ATOM 0 HD1 TYR A 25 0.450 -22.724 -17.081 1.00 41.44 H new ATOM 0 HD2 TYR A 25 -3.685 -22.534 -18.096 1.00 25.23 H new ATOM 0 HE1 TYR A 25 0.557 -20.272 -17.050 1.00 11.15 H new ATOM 0 HE2 TYR A 25 -3.580 -20.081 -18.068 1.00 4.14 H new ATOM 0 HH TYR A 25 -0.745 -18.350 -18.153 1.00 64.32 H new ATOM 389 N CYS A 26 -4.256 -24.034 -15.923 1.00 2.40 N ATOM 390 CA CYS A 26 -5.282 -23.214 -15.290 1.00 43.42 C ATOM 391 C CYS A 26 -5.581 -23.710 -13.878 1.00 44.25 C ATOM 392 O CYS A 26 -5.484 -22.956 -12.911 1.00 44.02 O ATOM 393 CB CYS A 26 -6.562 -23.225 -16.128 1.00 43.32 C ATOM 394 SG CYS A 26 -6.466 -22.222 -17.646 1.00 45.00 S ATOM 0 H CYS A 26 -4.590 -24.597 -16.705 1.00 2.40 H new ATOM 0 HA CYS A 26 -4.907 -22.193 -15.225 1.00 43.42 H new ATOM 0 HB2 CYS A 26 -6.797 -24.254 -16.400 1.00 43.32 H new ATOM 0 HB3 CYS A 26 -7.387 -22.861 -15.516 1.00 43.32 H new ATOM 399 N ASN A 27 -5.944 -24.984 -13.770 1.00 12.45 N ATOM 400 CA ASN A 27 -6.258 -25.581 -12.477 1.00 23.04 C ATOM 401 C ASN A 27 -5.379 -24.991 -11.377 1.00 73.14 C ATOM 402 O ASN A 27 -5.880 -24.504 -10.364 1.00 52.04 O ATOM 403 CB ASN A 27 -6.072 -27.099 -12.534 1.00 43.41 C ATOM 404 CG ASN A 27 -6.141 -27.742 -11.163 1.00 12.04 C ATOM 405 OD1 ASN A 27 -6.203 -27.053 -10.144 1.00 70.30 O ATOM 406 ND2 ASN A 27 -6.131 -29.070 -11.131 1.00 12.52 N ATOM 0 H ASN A 27 -6.028 -25.622 -14.561 1.00 12.45 H new ATOM 0 HA ASN A 27 -7.299 -25.357 -12.245 1.00 23.04 H new ATOM 0 HB2 ASN A 27 -6.840 -27.533 -13.175 1.00 43.41 H new ATOM 0 HB3 ASN A 27 -5.109 -27.327 -12.991 1.00 43.41 H new ATOM 0 HD21 ASN A 27 -6.176 -29.559 -10.237 1.00 12.52 H new ATOM 0 HD22 ASN A 27 -6.079 -29.601 -12.000 1.00 12.52 H new ATOM 413 N GLN A 28 -4.068 -25.039 -11.586 1.00 44.33 N ATOM 414 CA GLN A 28 -3.120 -24.509 -10.613 1.00 42.11 C ATOM 415 C GLN A 28 -3.005 -22.993 -10.734 1.00 51.15 C ATOM 416 O GLN A 28 -3.220 -22.265 -9.766 1.00 33.12 O ATOM 417 CB GLN A 28 -1.746 -25.153 -10.805 1.00 22.22 C ATOM 418 CG GLN A 28 -1.587 -26.476 -10.074 1.00 20.45 C ATOM 419 CD GLN A 28 -0.634 -27.422 -10.778 1.00 52.11 C ATOM 420 OE1 GLN A 28 0.584 -27.315 -10.634 1.00 61.05 O ATOM 421 NE2 GLN A 28 -1.185 -28.355 -11.545 1.00 73.23 N ATOM 0 H GLN A 28 -3.638 -25.439 -12.420 1.00 44.33 H new ATOM 0 HA GLN A 28 -3.490 -24.748 -9.616 1.00 42.11 H new ATOM 0 HB2 GLN A 28 -1.574 -25.313 -11.869 1.00 22.22 H new ATOM 0 HB3 GLN A 28 -0.978 -24.461 -10.458 1.00 22.22 H new ATOM 0 HG2 GLN A 28 -1.225 -26.287 -9.064 1.00 20.45 H new ATOM 0 HG3 GLN A 28 -2.562 -26.953 -9.979 1.00 20.45 H new ATOM 0 HE21 GLN A 28 -2.200 -28.407 -11.635 1.00 73.23 H new ATOM 0 HE22 GLN A 28 -0.594 -29.020 -12.044 1.00 73.23 H new ATOM 430 N MET A 29 -2.664 -22.524 -11.930 1.00 73.14 N ATOM 431 CA MET A 29 -2.522 -21.094 -12.178 1.00 62.10 C ATOM 432 C MET A 29 -3.489 -20.293 -11.312 1.00 72.41 C ATOM 433 O MET A 29 -3.074 -19.577 -10.401 1.00 72.53 O ATOM 434 CB MET A 29 -2.766 -20.784 -13.656 1.00 43.12 C ATOM 435 CG MET A 29 -1.535 -20.975 -14.528 1.00 74.23 C ATOM 436 SD MET A 29 -0.520 -19.489 -14.633 1.00 12.32 S ATOM 437 CE MET A 29 0.983 -20.049 -13.836 1.00 10.40 C ATOM 0 H MET A 29 -2.481 -23.113 -12.742 1.00 73.14 H new ATOM 0 HA MET A 29 -1.504 -20.805 -11.917 1.00 62.10 H new ATOM 0 HB2 MET A 29 -3.566 -21.425 -14.026 1.00 43.12 H new ATOM 0 HB3 MET A 29 -3.112 -19.755 -13.751 1.00 43.12 H new ATOM 0 HG2 MET A 29 -0.935 -21.792 -14.128 1.00 74.23 H new ATOM 0 HG3 MET A 29 -1.847 -21.269 -15.530 1.00 74.23 H new ATOM 0 HE1 MET A 29 1.712 -19.238 -13.823 1.00 10.40 H new ATOM 0 HE2 MET A 29 0.761 -20.354 -12.813 1.00 10.40 H new ATOM 0 HE3 MET A 29 1.393 -20.896 -14.386 1.00 10.40 H new ATOM 447 N MET A 30 -4.780 -20.419 -11.603 1.00 21.41 N ATOM 448 CA MET A 30 -5.806 -19.708 -10.849 1.00 44.44 C ATOM 449 C MET A 30 -5.565 -19.836 -9.349 1.00 33.24 C ATOM 450 O MET A 30 -5.741 -18.876 -8.598 1.00 31.41 O ATOM 451 CB MET A 30 -7.194 -20.245 -11.203 1.00 43.23 C ATOM 452 CG MET A 30 -7.875 -19.476 -12.324 1.00 34.14 C ATOM 453 SD MET A 30 -8.793 -18.044 -11.725 1.00 43.20 S ATOM 454 CE MET A 30 -7.452 -16.974 -11.209 1.00 62.31 C ATOM 0 H MET A 30 -5.140 -21.006 -12.355 1.00 21.41 H new ATOM 0 HA MET A 30 -5.754 -18.653 -11.118 1.00 44.44 H new ATOM 0 HB2 MET A 30 -7.107 -21.292 -11.493 1.00 43.23 H new ATOM 0 HB3 MET A 30 -7.825 -20.212 -10.315 1.00 43.23 H new ATOM 0 HG2 MET A 30 -7.124 -19.147 -13.042 1.00 34.14 H new ATOM 0 HG3 MET A 30 -8.554 -20.142 -12.856 1.00 34.14 H new ATOM 0 HE1 MET A 30 -7.783 -15.936 -11.238 1.00 62.31 H new ATOM 0 HE2 MET A 30 -7.152 -17.231 -10.193 1.00 62.31 H new ATOM 0 HE3 MET A 30 -6.604 -17.103 -11.881 1.00 62.31 H new ATOM 464 N ARG A 31 -5.163 -21.028 -8.918 1.00 40.52 N ATOM 465 CA ARG A 31 -4.900 -21.281 -7.507 1.00 33.23 C ATOM 466 C ARG A 31 -3.664 -20.519 -7.038 1.00 60.33 C ATOM 467 O ARG A 31 -3.746 -19.666 -6.155 1.00 55.41 O ATOM 468 CB ARG A 31 -4.712 -22.780 -7.262 1.00 50.44 C ATOM 469 CG ARG A 31 -3.779 -23.095 -6.105 1.00 32.43 C ATOM 470 CD ARG A 31 -3.788 -24.579 -5.771 1.00 61.01 C ATOM 471 NE ARG A 31 -3.225 -24.846 -4.450 1.00 70.32 N ATOM 472 CZ ARG A 31 -2.738 -26.027 -4.084 1.00 43.41 C ATOM 473 NH1 ARG A 31 -2.744 -27.043 -4.935 1.00 70.04 N ATOM 474 NH2 ARG A 31 -2.242 -26.192 -2.864 1.00 53.23 N ATOM 0 H ARG A 31 -5.013 -21.833 -9.526 1.00 40.52 H new ATOM 0 HA ARG A 31 -5.759 -20.931 -6.935 1.00 33.23 H new ATOM 0 HB2 ARG A 31 -5.684 -23.233 -7.067 1.00 50.44 H new ATOM 0 HB3 ARG A 31 -4.321 -23.242 -8.169 1.00 50.44 H new ATOM 0 HG2 ARG A 31 -2.765 -22.784 -6.358 1.00 32.43 H new ATOM 0 HG3 ARG A 31 -4.079 -22.522 -5.228 1.00 32.43 H new ATOM 0 HD2 ARG A 31 -4.811 -24.954 -5.812 1.00 61.01 H new ATOM 0 HD3 ARG A 31 -3.219 -25.124 -6.524 1.00 61.01 H new ATOM 0 HE ARG A 31 -3.205 -24.085 -3.772 1.00 70.32 H new ATOM 0 HH11 ARG A 31 -3.123 -26.920 -5.874 1.00 70.04 H new ATOM 0 HH12 ARG A 31 -2.369 -27.948 -4.651 1.00 70.04 H new ATOM 0 HH21 ARG A 31 -2.235 -25.412 -2.207 1.00 53.23 H new ATOM 0 HH22 ARG A 31 -1.868 -27.099 -2.584 1.00 53.23 H new ATOM 488 N ARG A 32 -2.519 -20.835 -7.636 1.00 14.44 N ATOM 489 CA ARG A 32 -1.266 -20.181 -7.279 1.00 20.25 C ATOM 490 C ARG A 32 -1.438 -18.666 -7.229 1.00 3.23 C ATOM 491 O ARG A 32 -0.663 -17.964 -6.578 1.00 60.40 O ATOM 492 CB ARG A 32 -0.171 -20.548 -8.282 1.00 21.44 C ATOM 493 CG ARG A 32 1.218 -20.617 -7.669 1.00 4.41 C ATOM 494 CD ARG A 32 1.723 -19.237 -7.277 1.00 51.53 C ATOM 495 NE ARG A 32 3.177 -19.202 -7.148 1.00 2.21 N ATOM 496 CZ ARG A 32 3.873 -18.083 -6.979 1.00 24.22 C ATOM 497 NH1 ARG A 32 3.251 -16.914 -6.918 1.00 43.03 N ATOM 498 NH2 ARG A 32 5.195 -18.133 -6.869 1.00 51.01 N ATOM 0 H ARG A 32 -2.434 -21.539 -8.369 1.00 14.44 H new ATOM 0 HA ARG A 32 -0.973 -20.529 -6.288 1.00 20.25 H new ATOM 0 HB2 ARG A 32 -0.409 -21.512 -8.730 1.00 21.44 H new ATOM 0 HB3 ARG A 32 -0.167 -19.814 -9.088 1.00 21.44 H new ATOM 0 HG2 ARG A 32 1.197 -21.261 -6.790 1.00 4.41 H new ATOM 0 HG3 ARG A 32 1.909 -21.070 -8.380 1.00 4.41 H new ATOM 0 HD2 ARG A 32 1.408 -18.510 -8.025 1.00 51.53 H new ATOM 0 HD3 ARG A 32 1.268 -18.940 -6.332 1.00 51.53 H new ATOM 0 HE ARG A 32 3.686 -20.085 -7.190 1.00 2.21 H new ATOM 0 HH11 ARG A 32 2.235 -16.872 -7.001 1.00 43.03 H new ATOM 0 HH12 ARG A 32 3.788 -16.057 -6.788 1.00 43.03 H new ATOM 0 HH21 ARG A 32 5.677 -19.031 -6.914 1.00 51.01 H new ATOM 0 HH22 ARG A 32 5.729 -17.274 -6.739 1.00 51.01 H new ATOM 512 N ARG A 33 -2.457 -18.168 -7.921 1.00 33.02 N ATOM 513 CA ARG A 33 -2.730 -16.736 -7.957 1.00 25.21 C ATOM 514 C ARG A 33 -3.399 -16.277 -6.665 1.00 23.24 C ATOM 515 O ARG A 33 -3.862 -15.142 -6.563 1.00 74.35 O ATOM 516 CB ARG A 33 -3.619 -16.395 -9.154 1.00 12.34 C ATOM 517 CG ARG A 33 -2.927 -16.565 -10.496 1.00 25.22 C ATOM 518 CD ARG A 33 -1.940 -15.439 -10.761 1.00 0.34 C ATOM 519 NE ARG A 33 -1.282 -15.581 -12.057 1.00 10.33 N ATOM 520 CZ ARG A 33 -0.615 -14.599 -12.654 1.00 23.54 C ATOM 521 NH1 ARG A 33 -0.517 -13.411 -12.074 1.00 30.24 N ATOM 522 NH2 ARG A 33 -0.043 -14.806 -13.833 1.00 22.00 N ATOM 0 H ARG A 33 -3.108 -18.735 -8.465 1.00 33.02 H new ATOM 0 HA ARG A 33 -1.779 -16.213 -8.059 1.00 25.21 H new ATOM 0 HB2 ARG A 33 -4.505 -17.029 -9.129 1.00 12.34 H new ATOM 0 HB3 ARG A 33 -3.961 -15.364 -9.059 1.00 12.34 H new ATOM 0 HG2 ARG A 33 -2.404 -17.521 -10.518 1.00 25.22 H new ATOM 0 HG3 ARG A 33 -3.673 -16.591 -11.290 1.00 25.22 H new ATOM 0 HD2 ARG A 33 -2.462 -14.483 -10.722 1.00 0.34 H new ATOM 0 HD3 ARG A 33 -1.188 -15.423 -9.972 1.00 0.34 H new ATOM 0 HE ARG A 33 -1.337 -16.483 -12.530 1.00 10.33 H new ATOM 0 HH11 ARG A 33 -0.954 -13.249 -11.167 1.00 30.24 H new ATOM 0 HH12 ARG A 33 -0.004 -12.659 -12.535 1.00 30.24 H new ATOM 0 HH21 ARG A 33 -0.115 -15.719 -14.282 1.00 22.00 H new ATOM 0 HH22 ARG A 33 0.469 -14.052 -14.291 1.00 22.00 H new ATOM 536 N ASN A 34 -3.445 -17.168 -5.680 1.00 20.25 N ATOM 537 CA ASN A 34 -4.058 -16.855 -4.394 1.00 34.10 C ATOM 538 C ASN A 34 -5.555 -16.606 -4.552 1.00 12.41 C ATOM 539 O ASN A 34 -6.115 -15.710 -3.921 1.00 13.31 O ATOM 540 CB ASN A 34 -3.389 -15.629 -3.771 1.00 5.31 C ATOM 541 CG ASN A 34 -1.887 -15.620 -3.983 1.00 21.03 C ATOM 542 OD1 ASN A 34 -1.256 -16.673 -4.074 1.00 24.03 O ATOM 543 ND2 ASN A 34 -1.308 -14.428 -4.062 1.00 4.32 N ATOM 0 H ASN A 34 -3.065 -18.112 -5.748 1.00 20.25 H new ATOM 0 HA ASN A 34 -3.917 -17.711 -3.734 1.00 34.10 H new ATOM 0 HB2 ASN A 34 -3.820 -14.725 -4.202 1.00 5.31 H new ATOM 0 HB3 ASN A 34 -3.603 -15.606 -2.702 1.00 5.31 H new ATOM 0 HD21 ASN A 34 -0.300 -14.359 -4.204 1.00 4.32 H new ATOM 0 HD22 ASN A 34 -1.871 -13.581 -3.981 1.00 4.32 H new ATOM 550 N MET A 35 -6.197 -17.405 -5.398 1.00 43.21 N ATOM 551 CA MET A 35 -7.629 -17.272 -5.637 1.00 51.24 C ATOM 552 C MET A 35 -8.370 -18.539 -5.221 1.00 42.25 C ATOM 553 O MET A 35 -9.600 -18.587 -5.242 1.00 52.25 O ATOM 554 CB MET A 35 -7.896 -16.973 -7.114 1.00 5.20 C ATOM 555 CG MET A 35 -7.966 -15.488 -7.430 1.00 55.31 C ATOM 556 SD MET A 35 -6.597 -14.559 -6.714 1.00 12.24 S ATOM 557 CE MET A 35 -7.285 -12.905 -6.690 1.00 35.42 C ATOM 0 H MET A 35 -5.748 -18.151 -5.929 1.00 43.21 H new ATOM 0 HA MET A 35 -7.997 -16.442 -5.033 1.00 51.24 H new ATOM 0 HB2 MET A 35 -7.109 -17.428 -7.716 1.00 5.20 H new ATOM 0 HB3 MET A 35 -8.834 -17.443 -7.408 1.00 5.20 H new ATOM 0 HG2 MET A 35 -7.967 -15.350 -8.511 1.00 55.31 H new ATOM 0 HG3 MET A 35 -8.908 -15.085 -7.057 1.00 55.31 H new ATOM 0 HE1 MET A 35 -6.492 -12.184 -6.494 1.00 35.42 H new ATOM 0 HE2 MET A 35 -7.743 -12.688 -7.655 1.00 35.42 H new ATOM 0 HE3 MET A 35 -8.039 -12.836 -5.906 1.00 35.42 H new ATOM 567 N THR A 36 -7.613 -19.564 -4.844 1.00 20.54 N ATOM 568 CA THR A 36 -8.198 -20.832 -4.424 1.00 44.12 C ATOM 569 C THR A 36 -7.844 -21.148 -2.975 1.00 52.34 C ATOM 570 O THR A 36 -7.953 -22.292 -2.536 1.00 72.24 O ATOM 571 CB THR A 36 -7.725 -21.992 -5.321 1.00 34.25 C ATOM 572 OG1 THR A 36 -6.317 -22.194 -5.159 1.00 30.42 O ATOM 573 CG2 THR A 36 -8.038 -21.709 -6.782 1.00 44.31 C ATOM 0 H THR A 36 -6.594 -19.541 -4.821 1.00 20.54 H new ATOM 0 HA THR A 36 -9.279 -20.728 -4.516 1.00 44.12 H new ATOM 0 HB THR A 36 -8.257 -22.895 -5.021 1.00 34.25 H new ATOM 0 HG1 THR A 36 -6.152 -23.103 -4.832 1.00 30.42 H new ATOM 0 HG21 THR A 36 -7.695 -22.542 -7.396 1.00 44.31 H new ATOM 0 HG22 THR A 36 -9.114 -21.586 -6.906 1.00 44.31 H new ATOM 0 HG23 THR A 36 -7.530 -20.796 -7.093 1.00 44.31 H new ATOM 581 N GLN A 37 -7.421 -20.126 -2.238 1.00 54.10 N ATOM 582 CA GLN A 37 -7.052 -20.296 -0.838 1.00 32.13 C ATOM 583 C GLN A 37 -8.292 -20.428 0.040 1.00 14.01 C ATOM 584 O GLN A 37 -8.239 -21.007 1.124 1.00 11.13 O ATOM 585 CB GLN A 37 -6.202 -19.116 -0.365 1.00 43.35 C ATOM 586 CG GLN A 37 -4.760 -19.174 -0.844 1.00 71.42 C ATOM 587 CD GLN A 37 -3.797 -18.513 0.122 1.00 40.13 C ATOM 588 OE1 GLN A 37 -3.549 -19.022 1.215 1.00 1.22 O ATOM 589 NE2 GLN A 37 -3.248 -17.372 -0.278 1.00 2.21 N ATOM 0 H GLN A 37 -7.325 -19.172 -2.587 1.00 54.10 H new ATOM 0 HA GLN A 37 -6.468 -21.213 -0.752 1.00 32.13 H new ATOM 0 HB2 GLN A 37 -6.655 -18.189 -0.715 1.00 43.35 H new ATOM 0 HB3 GLN A 37 -6.213 -19.085 0.724 1.00 43.35 H new ATOM 0 HG2 GLN A 37 -4.470 -20.215 -0.985 1.00 71.42 H new ATOM 0 HG3 GLN A 37 -4.684 -18.687 -1.816 1.00 71.42 H new ATOM 0 HE21 GLN A 37 -3.482 -16.986 -1.193 1.00 2.21 H new ATOM 0 HE22 GLN A 37 -2.592 -16.881 0.329 1.00 2.21 H new ATOM 598 N GLY A 38 -9.409 -19.886 -0.436 1.00 72.14 N ATOM 599 CA GLY A 38 -10.647 -19.954 0.318 1.00 11.30 C ATOM 600 C GLY A 38 -11.676 -20.855 -0.335 1.00 63.32 C ATOM 601 O GLY A 38 -12.221 -21.753 0.307 1.00 64.53 O ATOM 0 H GLY A 38 -9.478 -19.401 -1.331 1.00 72.14 H new ATOM 0 HA2 GLY A 38 -10.436 -20.318 1.324 1.00 11.30 H new ATOM 0 HA3 GLY A 38 -11.061 -18.951 0.422 1.00 11.30 H new ATOM 605 N ARG A 39 -11.943 -20.615 -1.615 1.00 34.14 N ATOM 606 CA ARG A 39 -12.916 -21.411 -2.354 1.00 51.51 C ATOM 607 C ARG A 39 -12.417 -21.705 -3.765 1.00 62.45 C ATOM 608 O ARG A 39 -11.402 -21.162 -4.203 1.00 23.43 O ATOM 609 CB ARG A 39 -14.259 -20.681 -2.419 1.00 34.53 C ATOM 610 CG ARG A 39 -14.129 -19.180 -2.619 1.00 23.44 C ATOM 611 CD ARG A 39 -15.289 -18.431 -1.982 1.00 44.43 C ATOM 612 NE ARG A 39 -15.036 -18.121 -0.578 1.00 24.04 N ATOM 613 CZ ARG A 39 -14.359 -17.052 -0.171 1.00 34.51 C ATOM 614 NH1 ARG A 39 -13.872 -16.196 -1.057 1.00 44.42 N ATOM 615 NH2 ARG A 39 -14.170 -16.839 1.125 1.00 35.11 N ATOM 0 H ARG A 39 -11.500 -19.876 -2.161 1.00 34.14 H new ATOM 0 HA ARG A 39 -13.049 -22.357 -1.829 1.00 51.51 H new ATOM 0 HB2 ARG A 39 -14.850 -21.098 -3.235 1.00 34.53 H new ATOM 0 HB3 ARG A 39 -14.810 -20.870 -1.498 1.00 34.53 H new ATOM 0 HG2 ARG A 39 -13.190 -18.834 -2.187 1.00 23.44 H new ATOM 0 HG3 ARG A 39 -14.091 -18.956 -3.685 1.00 23.44 H new ATOM 0 HD2 ARG A 39 -15.468 -17.506 -2.531 1.00 44.43 H new ATOM 0 HD3 ARG A 39 -16.196 -19.031 -2.063 1.00 44.43 H new ATOM 0 HE ARG A 39 -15.399 -18.760 0.130 1.00 24.04 H new ATOM 0 HH11 ARG A 39 -14.016 -16.357 -2.054 1.00 44.42 H new ATOM 0 HH12 ARG A 39 -13.353 -15.376 -0.742 1.00 44.42 H new ATOM 0 HH21 ARG A 39 -14.544 -17.496 1.810 1.00 35.11 H new ATOM 0 HH22 ARG A 39 -13.650 -16.018 1.437 1.00 35.11 H new ATOM 629 N CYS A 40 -13.136 -22.569 -4.474 1.00 34.44 N ATOM 630 CA CYS A 40 -12.767 -22.938 -5.835 1.00 31.22 C ATOM 631 C CYS A 40 -13.414 -21.998 -6.848 1.00 34.13 C ATOM 632 O CYS A 40 -14.639 -21.938 -6.962 1.00 2.54 O ATOM 633 CB CYS A 40 -13.182 -24.382 -6.125 1.00 12.12 C ATOM 634 SG CYS A 40 -11.807 -25.576 -6.072 1.00 52.32 S ATOM 0 H CYS A 40 -13.979 -23.027 -4.127 1.00 34.44 H new ATOM 0 HA CYS A 40 -11.684 -22.853 -5.927 1.00 31.22 H new ATOM 0 HB2 CYS A 40 -13.939 -24.684 -5.401 1.00 12.12 H new ATOM 0 HB3 CYS A 40 -13.648 -24.424 -7.110 1.00 12.12 H new ATOM 639 N LYS A 41 -12.584 -21.266 -7.582 1.00 4.11 N ATOM 640 CA LYS A 41 -13.073 -20.329 -8.587 1.00 24.42 C ATOM 641 C LYS A 41 -13.928 -21.045 -9.627 1.00 63.44 C ATOM 642 O LYS A 41 -13.589 -22.128 -10.106 1.00 31.35 O ATOM 643 CB LYS A 41 -11.899 -19.626 -9.272 1.00 61.12 C ATOM 644 CG LYS A 41 -12.295 -18.356 -10.005 1.00 2.22 C ATOM 645 CD LYS A 41 -12.683 -17.252 -9.036 1.00 54.52 C ATOM 646 CE LYS A 41 -11.484 -16.399 -8.653 1.00 3.31 C ATOM 647 NZ LYS A 41 -11.893 -15.053 -8.165 1.00 13.23 N ATOM 0 H LYS A 41 -11.568 -21.303 -7.500 1.00 4.11 H new ATOM 0 HA LYS A 41 -13.691 -19.585 -8.085 1.00 24.42 H new ATOM 0 HB2 LYS A 41 -11.145 -19.383 -8.523 1.00 61.12 H new ATOM 0 HB3 LYS A 41 -11.436 -20.315 -9.979 1.00 61.12 H new ATOM 0 HG2 LYS A 41 -11.466 -18.020 -10.628 1.00 2.22 H new ATOM 0 HG3 LYS A 41 -13.130 -18.566 -10.673 1.00 2.22 H new ATOM 0 HD2 LYS A 41 -13.449 -16.622 -9.488 1.00 54.52 H new ATOM 0 HD3 LYS A 41 -13.120 -17.691 -8.139 1.00 54.52 H new ATOM 0 HE2 LYS A 41 -10.910 -16.907 -7.878 1.00 3.31 H new ATOM 0 HE3 LYS A 41 -10.827 -16.288 -9.516 1.00 3.31 H new ATOM 0 HZ1 LYS A 41 -11.047 -14.503 -7.914 1.00 13.23 H new ATOM 0 HZ2 LYS A 41 -12.419 -14.558 -8.913 1.00 13.23 H new ATOM 0 HZ3 LYS A 41 -12.499 -15.157 -7.326 1.00 13.23 H new ATOM 661 N PRO A 42 -15.062 -20.428 -9.989 1.00 12.13 N ATOM 662 CA PRO A 42 -15.988 -20.988 -10.978 1.00 43.21 C ATOM 663 C PRO A 42 -15.411 -20.965 -12.389 1.00 63.54 C ATOM 664 O PRO A 42 -15.376 -21.989 -13.073 1.00 53.31 O ATOM 665 CB PRO A 42 -17.207 -20.067 -10.884 1.00 41.13 C ATOM 666 CG PRO A 42 -16.668 -18.776 -10.373 1.00 1.31 C ATOM 667 CD PRO A 42 -15.529 -19.135 -9.460 1.00 24.23 C ATOM 0 HA PRO A 42 -16.212 -22.036 -10.779 1.00 43.21 H new ATOM 0 HB2 PRO A 42 -17.683 -19.940 -11.856 1.00 41.13 H new ATOM 0 HB3 PRO A 42 -17.961 -20.475 -10.211 1.00 41.13 H new ATOM 0 HG2 PRO A 42 -16.327 -18.144 -11.193 1.00 1.31 H new ATOM 0 HG3 PRO A 42 -17.436 -18.217 -9.838 1.00 1.31 H new ATOM 0 HD2 PRO A 42 -14.741 -18.382 -9.485 1.00 24.23 H new ATOM 0 HD3 PRO A 42 -15.856 -19.219 -8.424 1.00 24.23 H new ATOM 675 N VAL A 43 -14.958 -19.792 -12.820 1.00 64.31 N ATOM 676 CA VAL A 43 -14.380 -19.637 -14.150 1.00 32.31 C ATOM 677 C VAL A 43 -13.729 -18.268 -14.310 1.00 75.03 C ATOM 678 O VAL A 43 -14.019 -17.340 -13.556 1.00 63.13 O ATOM 679 CB VAL A 43 -15.444 -19.820 -15.249 1.00 11.24 C ATOM 680 CG1 VAL A 43 -16.780 -19.247 -14.799 1.00 44.22 C ATOM 681 CG2 VAL A 43 -14.986 -19.172 -16.546 1.00 50.43 C ATOM 0 H VAL A 43 -14.980 -18.935 -12.267 1.00 64.31 H new ATOM 0 HA VAL A 43 -13.621 -20.412 -14.258 1.00 32.31 H new ATOM 0 HB VAL A 43 -15.576 -20.887 -15.430 1.00 11.24 H new ATOM 0 HG11 VAL A 43 -17.519 -19.385 -15.588 1.00 44.22 H new ATOM 0 HG12 VAL A 43 -17.111 -19.762 -13.897 1.00 44.22 H new ATOM 0 HG13 VAL A 43 -16.668 -18.183 -14.589 1.00 44.22 H new ATOM 0 HG21 VAL A 43 -15.749 -19.311 -17.311 1.00 50.43 H new ATOM 0 HG22 VAL A 43 -14.825 -18.106 -16.383 1.00 50.43 H new ATOM 0 HG23 VAL A 43 -14.055 -19.634 -16.874 1.00 50.43 H new ATOM 691 N ASN A 44 -12.849 -18.150 -15.299 1.00 1.52 N ATOM 692 CA ASN A 44 -12.156 -16.893 -15.559 1.00 13.32 C ATOM 693 C ASN A 44 -11.477 -16.918 -16.925 1.00 33.22 C ATOM 694 O ASN A 44 -11.460 -17.946 -17.604 1.00 12.34 O ATOM 695 CB ASN A 44 -11.120 -16.622 -14.467 1.00 23.15 C ATOM 696 CG ASN A 44 -10.546 -15.221 -14.549 1.00 5.13 C ATOM 697 OD1 ASN A 44 -11.246 -14.236 -14.315 1.00 74.20 O ATOM 698 ND2 ASN A 44 -9.264 -15.126 -14.882 1.00 43.44 N ATOM 0 H ASN A 44 -12.599 -18.909 -15.933 1.00 1.52 H new ATOM 0 HA ASN A 44 -12.896 -16.092 -15.555 1.00 13.32 H new ATOM 0 HB2 ASN A 44 -11.580 -16.766 -13.490 1.00 23.15 H new ATOM 0 HB3 ASN A 44 -10.311 -17.348 -14.549 1.00 23.15 H new ATOM 0 HD21 ASN A 44 -8.822 -14.209 -14.952 1.00 43.44 H new ATOM 0 HD22 ASN A 44 -8.721 -15.970 -15.067 1.00 43.44 H new ATOM 705 N THR A 45 -10.917 -15.780 -17.323 1.00 31.03 N ATOM 706 CA THR A 45 -10.237 -15.671 -18.607 1.00 52.11 C ATOM 707 C THR A 45 -8.869 -15.018 -18.451 1.00 25.20 C ATOM 708 O THR A 45 -8.767 -13.816 -18.207 1.00 53.41 O ATOM 709 CB THR A 45 -11.069 -14.857 -19.616 1.00 34.00 C ATOM 710 OG1 THR A 45 -12.436 -15.282 -19.579 1.00 14.41 O ATOM 711 CG2 THR A 45 -10.521 -15.019 -21.026 1.00 22.15 C ATOM 0 H THR A 45 -10.921 -14.920 -16.774 1.00 31.03 H new ATOM 0 HA THR A 45 -10.112 -16.686 -18.985 1.00 52.11 H new ATOM 0 HB THR A 45 -11.008 -13.805 -19.338 1.00 34.00 H new ATOM 0 HG1 THR A 45 -12.959 -14.759 -20.222 1.00 14.41 H new ATOM 0 HG21 THR A 45 -11.125 -14.435 -21.720 1.00 22.15 H new ATOM 0 HG22 THR A 45 -9.490 -14.668 -21.058 1.00 22.15 H new ATOM 0 HG23 THR A 45 -10.555 -16.071 -21.311 1.00 22.15 H new ATOM 719 N PHE A 46 -7.817 -15.818 -18.594 1.00 21.04 N ATOM 720 CA PHE A 46 -6.453 -15.317 -18.468 1.00 70.50 C ATOM 721 C PHE A 46 -6.052 -14.515 -19.703 1.00 33.24 C ATOM 722 O PHE A 46 -6.839 -14.356 -20.636 1.00 70.30 O ATOM 723 CB PHE A 46 -5.478 -16.479 -18.262 1.00 11.53 C ATOM 724 CG PHE A 46 -5.276 -16.842 -16.819 1.00 21.34 C ATOM 725 CD1 PHE A 46 -6.319 -16.743 -15.912 1.00 53.45 C ATOM 726 CD2 PHE A 46 -4.042 -17.284 -16.368 1.00 11.40 C ATOM 727 CE1 PHE A 46 -6.137 -17.077 -14.584 1.00 2.12 C ATOM 728 CE2 PHE A 46 -3.854 -17.620 -15.041 1.00 2.33 C ATOM 729 CZ PHE A 46 -4.902 -17.515 -14.147 1.00 60.13 C ATOM 0 H PHE A 46 -7.883 -16.815 -18.797 1.00 21.04 H new ATOM 0 HA PHE A 46 -6.413 -14.659 -17.600 1.00 70.50 H new ATOM 0 HB2 PHE A 46 -5.847 -17.352 -18.800 1.00 11.53 H new ATOM 0 HB3 PHE A 46 -4.515 -16.217 -18.701 1.00 11.53 H new ATOM 0 HD1 PHE A 46 -7.287 -16.400 -16.248 1.00 53.45 H new ATOM 0 HD2 PHE A 46 -3.218 -17.367 -17.062 1.00 11.40 H new ATOM 0 HE1 PHE A 46 -6.959 -16.996 -13.888 1.00 2.12 H new ATOM 0 HE2 PHE A 46 -2.888 -17.965 -14.703 1.00 2.33 H new ATOM 0 HZ PHE A 46 -4.756 -17.775 -13.109 1.00 60.13 H new ATOM 739 N VAL A 47 -4.822 -14.011 -19.700 1.00 14.24 N ATOM 740 CA VAL A 47 -4.316 -13.225 -20.819 1.00 24.45 C ATOM 741 C VAL A 47 -2.821 -13.452 -21.017 1.00 72.51 C ATOM 742 O VAL A 47 -2.034 -13.335 -20.077 1.00 70.14 O ATOM 743 CB VAL A 47 -4.572 -11.721 -20.610 1.00 2.01 C ATOM 744 CG1 VAL A 47 -3.821 -10.902 -21.649 1.00 23.13 C ATOM 745 CG2 VAL A 47 -6.063 -11.423 -20.660 1.00 44.12 C ATOM 0 H VAL A 47 -4.158 -14.133 -18.936 1.00 14.24 H new ATOM 0 HA VAL A 47 -4.853 -13.557 -21.708 1.00 24.45 H new ATOM 0 HB VAL A 47 -4.201 -11.440 -19.624 1.00 2.01 H new ATOM 0 HG11 VAL A 47 -4.014 -9.842 -21.485 1.00 23.13 H new ATOM 0 HG12 VAL A 47 -2.752 -11.094 -21.560 1.00 23.13 H new ATOM 0 HG13 VAL A 47 -4.158 -11.183 -22.647 1.00 23.13 H new ATOM 0 HG21 VAL A 47 -6.226 -10.356 -20.510 1.00 44.12 H new ATOM 0 HG22 VAL A 47 -6.461 -11.718 -21.631 1.00 44.12 H new ATOM 0 HG23 VAL A 47 -6.572 -11.981 -19.874 1.00 44.12 H new ATOM 755 N HIS A 48 -2.436 -13.778 -22.247 1.00 41.00 N ATOM 756 CA HIS A 48 -1.034 -14.021 -22.570 1.00 54.30 C ATOM 757 C HIS A 48 -0.435 -12.832 -23.314 1.00 44.35 C ATOM 758 O HIS A 48 0.607 -12.953 -23.958 1.00 42.40 O ATOM 759 CB HIS A 48 -0.896 -15.288 -23.414 1.00 22.22 C ATOM 760 CG HIS A 48 -0.891 -16.549 -22.605 1.00 11.31 C ATOM 761 ND1 HIS A 48 0.200 -16.971 -21.875 1.00 41.32 N ATOM 762 CD2 HIS A 48 -1.854 -17.480 -22.412 1.00 30.32 C ATOM 763 CE1 HIS A 48 -0.091 -18.108 -21.270 1.00 30.13 C ATOM 764 NE2 HIS A 48 -1.332 -18.439 -21.579 1.00 1.24 N ATOM 0 H HIS A 48 -3.074 -13.880 -23.036 1.00 41.00 H new ATOM 0 HA HIS A 48 -0.489 -14.155 -21.636 1.00 54.30 H new ATOM 0 HB2 HIS A 48 -1.717 -15.329 -24.130 1.00 22.22 H new ATOM 0 HB3 HIS A 48 0.028 -15.232 -23.990 1.00 22.22 H new ATOM 0 HD1 HIS A 48 1.093 -16.481 -21.812 1.00 41.32 H new ATOM 0 HD2 HIS A 48 -2.848 -17.471 -22.834 1.00 30.32 H new ATOM 0 HE1 HIS A 48 0.573 -18.672 -20.631 1.00 30.13 H new ATOM 772 N GLU A 49 -1.100 -11.685 -23.222 1.00 52.30 N ATOM 773 CA GLU A 49 -0.633 -10.475 -23.889 1.00 24.04 C ATOM 774 C GLU A 49 -0.298 -9.388 -22.871 1.00 52.12 C ATOM 775 O GLU A 49 -0.721 -9.433 -21.716 1.00 3.43 O ATOM 776 CB GLU A 49 -1.691 -9.964 -24.868 1.00 52.01 C ATOM 777 CG GLU A 49 -1.538 -10.520 -26.274 1.00 14.40 C ATOM 778 CD GLU A 49 -0.250 -10.077 -26.939 1.00 41.45 C ATOM 779 OE1 GLU A 49 0.823 -10.590 -26.558 1.00 15.10 O ATOM 780 OE2 GLU A 49 -0.315 -9.216 -27.843 1.00 23.35 O ATOM 0 H GLU A 49 -1.964 -11.568 -22.692 1.00 52.30 H new ATOM 0 HA GLU A 49 0.273 -10.723 -24.442 1.00 24.04 H new ATOM 0 HB2 GLU A 49 -2.680 -10.223 -24.489 1.00 52.01 H new ATOM 0 HB3 GLU A 49 -1.641 -8.876 -24.909 1.00 52.01 H new ATOM 0 HG2 GLU A 49 -1.567 -11.609 -26.235 1.00 14.40 H new ATOM 0 HG3 GLU A 49 -2.385 -10.200 -26.881 1.00 14.40 H new ATOM 787 N PRO A 50 0.480 -8.387 -23.310 1.00 13.04 N ATOM 788 CA PRO A 50 0.889 -7.269 -22.454 1.00 34.21 C ATOM 789 C PRO A 50 -0.275 -6.345 -22.111 1.00 72.44 C ATOM 790 O PRO A 50 -1.138 -6.080 -22.949 1.00 71.15 O ATOM 791 CB PRO A 50 1.924 -6.531 -23.306 1.00 25.15 C ATOM 792 CG PRO A 50 1.570 -6.870 -24.712 1.00 74.21 C ATOM 793 CD PRO A 50 1.020 -8.269 -24.675 1.00 35.24 C ATOM 0 HA PRO A 50 1.273 -7.611 -21.493 1.00 34.21 H new ATOM 0 HB2 PRO A 50 1.882 -5.455 -23.136 1.00 25.15 H new ATOM 0 HB3 PRO A 50 2.937 -6.853 -23.065 1.00 25.15 H new ATOM 0 HG2 PRO A 50 0.833 -6.171 -25.108 1.00 74.21 H new ATOM 0 HG3 PRO A 50 2.445 -6.812 -25.360 1.00 74.21 H new ATOM 0 HD2 PRO A 50 0.246 -8.416 -25.428 1.00 35.24 H new ATOM 0 HD3 PRO A 50 1.795 -9.011 -24.866 1.00 35.24 H new ATOM 801 N LEU A 51 -0.293 -5.858 -20.876 1.00 14.40 N ATOM 802 CA LEU A 51 -1.352 -4.962 -20.422 1.00 60.15 C ATOM 803 C LEU A 51 -1.481 -3.758 -21.350 1.00 31.01 C ATOM 804 O LEU A 51 -2.538 -3.522 -21.935 1.00 73.20 O ATOM 805 CB LEU A 51 -1.072 -4.492 -18.994 1.00 33.21 C ATOM 806 CG LEU A 51 -2.133 -3.588 -18.365 1.00 43.41 C ATOM 807 CD1 LEU A 51 -3.267 -4.418 -17.785 1.00 22.14 C ATOM 808 CD2 LEU A 51 -1.512 -2.705 -17.292 1.00 54.31 C ATOM 0 H LEU A 51 0.413 -6.068 -20.170 1.00 14.40 H new ATOM 0 HA LEU A 51 -2.292 -5.513 -20.439 1.00 60.15 H new ATOM 0 HB2 LEU A 51 -0.950 -5.371 -18.361 1.00 33.21 H new ATOM 0 HB3 LEU A 51 -0.120 -3.960 -18.988 1.00 33.21 H new ATOM 0 HG LEU A 51 -2.544 -2.945 -19.144 1.00 43.41 H new ATOM 0 HD11 LEU A 51 -4.012 -3.757 -17.342 1.00 22.14 H new ATOM 0 HD12 LEU A 51 -3.729 -5.006 -18.577 1.00 22.14 H new ATOM 0 HD13 LEU A 51 -2.874 -5.086 -17.019 1.00 22.14 H new ATOM 0 HD21 LEU A 51 -2.281 -2.068 -16.855 1.00 54.31 H new ATOM 0 HD22 LEU A 51 -1.074 -3.331 -16.514 1.00 54.31 H new ATOM 0 HD23 LEU A 51 -0.736 -2.083 -17.737 1.00 54.31 H new ATOM 820 N VAL A 52 -0.397 -3.000 -21.481 1.00 52.31 N ATOM 821 CA VAL A 52 -0.388 -1.822 -22.340 1.00 41.42 C ATOM 822 C VAL A 52 -1.306 -2.011 -23.543 1.00 23.13 C ATOM 823 O VAL A 52 -2.046 -1.103 -23.921 1.00 44.30 O ATOM 824 CB VAL A 52 1.034 -1.502 -22.839 1.00 11.12 C ATOM 825 CG1 VAL A 52 1.470 -2.509 -23.892 1.00 32.31 C ATOM 826 CG2 VAL A 52 1.100 -0.084 -23.386 1.00 31.01 C ATOM 0 H VAL A 52 0.486 -3.181 -21.003 1.00 52.31 H new ATOM 0 HA VAL A 52 -0.750 -0.989 -21.738 1.00 41.42 H new ATOM 0 HB VAL A 52 1.721 -1.574 -21.996 1.00 11.12 H new ATOM 0 HG11 VAL A 52 2.477 -2.267 -24.232 1.00 32.31 H new ATOM 0 HG12 VAL A 52 1.464 -3.511 -23.462 1.00 32.31 H new ATOM 0 HG13 VAL A 52 0.783 -2.472 -24.737 1.00 32.31 H new ATOM 0 HG21 VAL A 52 2.112 0.125 -23.734 1.00 31.01 H new ATOM 0 HG22 VAL A 52 0.402 0.018 -24.217 1.00 31.01 H new ATOM 0 HG23 VAL A 52 0.834 0.622 -22.599 1.00 31.01 H new ATOM 836 N ASP A 53 -1.253 -3.197 -24.139 1.00 41.11 N ATOM 837 CA ASP A 53 -2.081 -3.507 -25.299 1.00 31.03 C ATOM 838 C ASP A 53 -3.563 -3.385 -24.956 1.00 63.25 C ATOM 839 O ASP A 53 -4.299 -2.636 -25.598 1.00 12.42 O ATOM 840 CB ASP A 53 -1.777 -4.917 -25.807 1.00 65.01 C ATOM 841 CG ASP A 53 -2.216 -5.122 -27.244 1.00 31.05 C ATOM 842 OD1 ASP A 53 -2.548 -4.120 -27.911 1.00 33.25 O ATOM 843 OD2 ASP A 53 -2.229 -6.284 -27.700 1.00 64.44 O ATOM 0 H ASP A 53 -0.646 -3.959 -23.838 1.00 41.11 H new ATOM 0 HA ASP A 53 -1.847 -2.788 -26.084 1.00 31.03 H new ATOM 0 HB2 ASP A 53 -0.707 -5.106 -25.727 1.00 65.01 H new ATOM 0 HB3 ASP A 53 -2.278 -5.646 -25.170 1.00 65.01 H new ATOM 848 N VAL A 54 -3.994 -4.128 -23.942 1.00 64.41 N ATOM 849 CA VAL A 54 -5.387 -4.104 -23.514 1.00 53.14 C ATOM 850 C VAL A 54 -5.805 -2.703 -23.083 1.00 10.35 C ATOM 851 O VAL A 54 -6.934 -2.279 -23.326 1.00 74.02 O ATOM 852 CB VAL A 54 -5.635 -5.083 -22.351 1.00 42.23 C ATOM 853 CG1 VAL A 54 -7.033 -4.895 -21.784 1.00 34.33 C ATOM 854 CG2 VAL A 54 -5.424 -6.518 -22.810 1.00 34.05 C ATOM 0 H VAL A 54 -3.398 -4.754 -23.401 1.00 64.41 H new ATOM 0 HA VAL A 54 -5.986 -4.412 -24.371 1.00 53.14 H new ATOM 0 HB VAL A 54 -4.917 -4.870 -21.559 1.00 42.23 H new ATOM 0 HG11 VAL A 54 -7.190 -5.595 -20.963 1.00 34.33 H new ATOM 0 HG12 VAL A 54 -7.142 -3.875 -21.416 1.00 34.33 H new ATOM 0 HG13 VAL A 54 -7.770 -5.080 -22.565 1.00 34.33 H new ATOM 0 HG21 VAL A 54 -5.603 -7.197 -21.976 1.00 34.05 H new ATOM 0 HG22 VAL A 54 -6.117 -6.747 -23.620 1.00 34.05 H new ATOM 0 HG23 VAL A 54 -4.400 -6.640 -23.164 1.00 34.05 H new ATOM 864 N GLN A 55 -4.886 -1.989 -22.441 1.00 10.34 N ATOM 865 CA GLN A 55 -5.160 -0.634 -21.975 1.00 23.45 C ATOM 866 C GLN A 55 -5.655 0.245 -23.118 1.00 13.02 C ATOM 867 O GLN A 55 -6.605 1.010 -22.958 1.00 52.21 O ATOM 868 CB GLN A 55 -3.903 -0.023 -21.353 1.00 12.24 C ATOM 869 CG GLN A 55 -3.299 -0.870 -20.244 1.00 42.33 C ATOM 870 CD GLN A 55 -2.257 -0.119 -19.438 1.00 60.24 C ATOM 871 OE1 GLN A 55 -2.427 1.060 -19.128 1.00 3.22 O ATOM 872 NE2 GLN A 55 -1.170 -0.801 -19.095 1.00 13.53 N ATOM 0 H GLN A 55 -3.946 -2.325 -22.232 1.00 10.34 H new ATOM 0 HA GLN A 55 -5.942 -0.688 -21.218 1.00 23.45 H new ATOM 0 HB2 GLN A 55 -3.157 0.125 -22.133 1.00 12.24 H new ATOM 0 HB3 GLN A 55 -4.147 0.962 -20.955 1.00 12.24 H new ATOM 0 HG2 GLN A 55 -4.092 -1.210 -19.578 1.00 42.33 H new ATOM 0 HG3 GLN A 55 -2.845 -1.760 -20.678 1.00 42.33 H new ATOM 0 HE21 GLN A 55 -1.071 -1.777 -19.374 1.00 13.53 H new ATOM 0 HE22 GLN A 55 -0.434 -0.349 -18.553 1.00 13.53 H new ATOM 881 N ASN A 56 -5.005 0.130 -24.271 1.00 43.20 N ATOM 882 CA ASN A 56 -5.379 0.916 -25.441 1.00 61.13 C ATOM 883 C ASN A 56 -6.878 0.817 -25.706 1.00 71.13 C ATOM 884 O ASN A 56 -7.506 1.778 -26.150 1.00 40.30 O ATOM 885 CB ASN A 56 -4.600 0.442 -26.670 1.00 10.10 C ATOM 886 CG ASN A 56 -3.141 0.854 -26.624 1.00 53.11 C ATOM 887 OD1 ASN A 56 -2.801 1.916 -26.102 1.00 63.14 O ATOM 888 ND2 ASN A 56 -2.272 0.013 -27.172 1.00 43.21 N ATOM 0 H ASN A 56 -4.217 -0.500 -24.420 1.00 43.20 H new ATOM 0 HA ASN A 56 -5.131 1.959 -25.242 1.00 61.13 H new ATOM 0 HB2 ASN A 56 -4.666 -0.644 -26.742 1.00 10.10 H new ATOM 0 HB3 ASN A 56 -5.062 0.850 -27.569 1.00 10.10 H new ATOM 0 HD21 ASN A 56 -1.277 0.236 -27.172 1.00 43.21 H new ATOM 0 HD22 ASN A 56 -2.600 -0.856 -27.593 1.00 43.21 H new ATOM 895 N VAL A 57 -7.446 -0.353 -25.431 1.00 13.25 N ATOM 896 CA VAL A 57 -8.872 -0.578 -25.637 1.00 41.21 C ATOM 897 C VAL A 57 -9.706 0.437 -24.864 1.00 12.14 C ATOM 898 O VAL A 57 -10.816 0.783 -25.269 1.00 73.21 O ATOM 899 CB VAL A 57 -9.284 -1.998 -25.208 1.00 21.54 C ATOM 900 CG1 VAL A 57 -10.759 -2.236 -25.493 1.00 10.02 C ATOM 901 CG2 VAL A 57 -8.423 -3.038 -25.909 1.00 43.44 C ATOM 0 H VAL A 57 -6.940 -1.160 -25.065 1.00 13.25 H new ATOM 0 HA VAL A 57 -9.060 -0.460 -26.704 1.00 41.21 H new ATOM 0 HB VAL A 57 -9.126 -2.093 -24.134 1.00 21.54 H new ATOM 0 HG11 VAL A 57 -11.031 -3.245 -25.183 1.00 10.02 H new ATOM 0 HG12 VAL A 57 -11.358 -1.512 -24.940 1.00 10.02 H new ATOM 0 HG13 VAL A 57 -10.946 -2.121 -26.561 1.00 10.02 H new ATOM 0 HG21 VAL A 57 -8.728 -4.036 -25.594 1.00 43.44 H new ATOM 0 HG22 VAL A 57 -8.546 -2.945 -26.988 1.00 43.44 H new ATOM 0 HG23 VAL A 57 -7.377 -2.880 -25.648 1.00 43.44 H new ATOM 911 N CYS A 58 -9.164 0.912 -23.747 1.00 53.33 N ATOM 912 CA CYS A 58 -9.858 1.888 -22.915 1.00 45.44 C ATOM 913 C CYS A 58 -10.010 3.218 -23.649 1.00 24.11 C ATOM 914 O CYS A 58 -10.836 4.052 -23.279 1.00 52.25 O ATOM 915 CB CYS A 58 -9.100 2.101 -21.603 1.00 41.03 C ATOM 916 SG CYS A 58 -10.175 2.415 -20.166 1.00 70.35 S ATOM 0 H CYS A 58 -8.246 0.637 -23.397 1.00 53.33 H new ATOM 0 HA CYS A 58 -10.852 1.499 -22.694 1.00 45.44 H new ATOM 0 HB2 CYS A 58 -8.490 1.221 -21.401 1.00 41.03 H new ATOM 0 HB3 CYS A 58 -8.417 2.942 -21.723 1.00 41.03 H new ATOM 921 N PHE A 59 -9.206 3.408 -24.690 1.00 73.14 N ATOM 922 CA PHE A 59 -9.251 4.636 -25.476 1.00 25.31 C ATOM 923 C PHE A 59 -9.664 4.346 -26.916 1.00 32.43 C ATOM 924 O PHE A 59 -9.691 5.244 -27.757 1.00 35.52 O ATOM 925 CB PHE A 59 -7.887 5.329 -25.455 1.00 64.11 C ATOM 926 CG PHE A 59 -7.270 5.398 -24.087 1.00 70.23 C ATOM 927 CD1 PHE A 59 -7.661 6.374 -23.185 1.00 32.11 C ATOM 928 CD2 PHE A 59 -6.300 4.486 -23.704 1.00 3.35 C ATOM 929 CE1 PHE A 59 -7.095 6.440 -21.926 1.00 62.10 C ATOM 930 CE2 PHE A 59 -5.730 4.547 -22.446 1.00 1.13 C ATOM 931 CZ PHE A 59 -6.129 5.525 -21.555 1.00 61.44 C ATOM 0 H PHE A 59 -8.516 2.728 -25.009 1.00 73.14 H new ATOM 0 HA PHE A 59 -9.994 5.297 -25.030 1.00 25.31 H new ATOM 0 HB2 PHE A 59 -7.209 4.799 -26.124 1.00 64.11 H new ATOM 0 HB3 PHE A 59 -7.996 6.340 -25.847 1.00 64.11 H new ATOM 0 HD1 PHE A 59 -8.417 7.091 -23.469 1.00 32.11 H new ATOM 0 HD2 PHE A 59 -5.986 3.719 -24.396 1.00 3.35 H new ATOM 0 HE1 PHE A 59 -7.408 7.207 -21.233 1.00 62.10 H new ATOM 0 HE2 PHE A 59 -4.974 3.831 -22.160 1.00 1.13 H new ATOM 0 HZ PHE A 59 -5.687 5.574 -20.571 1.00 61.44 H new ATOM 941 N GLN A 60 -9.985 3.085 -27.191 1.00 4.35 N ATOM 942 CA GLN A 60 -10.396 2.676 -28.528 1.00 45.44 C ATOM 943 C GLN A 60 -11.916 2.668 -28.652 1.00 64.03 C ATOM 944 O GLN A 60 -12.494 3.489 -29.363 1.00 42.12 O ATOM 945 CB GLN A 60 -9.838 1.290 -28.855 1.00 23.02 C ATOM 946 CG GLN A 60 -8.336 1.279 -29.092 1.00 73.34 C ATOM 947 CD GLN A 60 -7.976 1.422 -30.558 1.00 73.00 C ATOM 948 OE1 GLN A 60 -7.427 2.441 -30.978 1.00 11.14 O ATOM 949 NE2 GLN A 60 -8.284 0.399 -31.346 1.00 74.23 N ATOM 0 H GLN A 60 -9.968 2.330 -26.505 1.00 4.35 H new ATOM 0 HA GLN A 60 -9.996 3.398 -29.240 1.00 45.44 H new ATOM 0 HB2 GLN A 60 -10.073 0.610 -28.036 1.00 23.02 H new ATOM 0 HB3 GLN A 60 -10.340 0.905 -29.743 1.00 23.02 H new ATOM 0 HG2 GLN A 60 -7.877 2.091 -28.528 1.00 73.34 H new ATOM 0 HG3 GLN A 60 -7.918 0.348 -28.708 1.00 73.34 H new ATOM 0 HE21 GLN A 60 -8.739 -0.426 -30.956 1.00 74.23 H new ATOM 0 HE22 GLN A 60 -8.066 0.438 -32.342 1.00 74.23 H new ATOM 958 N GLU A 61 -12.556 1.734 -27.956 1.00 11.12 N ATOM 959 CA GLU A 61 -14.009 1.619 -27.990 1.00 13.12 C ATOM 960 C GLU A 61 -14.583 1.553 -26.577 1.00 60.32 C ATOM 961 O GLU A 61 -13.843 1.561 -25.593 1.00 72.41 O ATOM 962 CB GLU A 61 -14.426 0.377 -28.780 1.00 55.23 C ATOM 963 CG GLU A 61 -15.833 0.462 -29.350 1.00 3.13 C ATOM 964 CD GLU A 61 -15.996 -0.344 -30.624 1.00 21.14 C ATOM 965 OE1 GLU A 61 -15.890 -1.586 -30.558 1.00 33.51 O ATOM 966 OE2 GLU A 61 -16.230 0.269 -31.687 1.00 24.54 O ATOM 0 H GLU A 61 -12.092 1.047 -27.362 1.00 11.12 H new ATOM 0 HA GLU A 61 -14.407 2.506 -28.484 1.00 13.12 H new ATOM 0 HB2 GLU A 61 -13.721 0.223 -29.597 1.00 55.23 H new ATOM 0 HB3 GLU A 61 -14.358 -0.496 -28.131 1.00 55.23 H new ATOM 0 HG2 GLU A 61 -16.545 0.105 -28.605 1.00 3.13 H new ATOM 0 HG3 GLU A 61 -16.077 1.505 -29.551 1.00 3.13 H new ATOM 973 N LYS A 62 -15.907 1.488 -26.485 1.00 61.02 N ATOM 974 CA LYS A 62 -16.582 1.419 -25.195 1.00 12.42 C ATOM 975 C LYS A 62 -17.767 0.460 -25.251 1.00 24.12 C ATOM 976 O LYS A 62 -18.193 0.046 -26.329 1.00 43.11 O ATOM 977 CB LYS A 62 -17.059 2.811 -24.771 1.00 22.52 C ATOM 978 CG LYS A 62 -15.927 3.761 -24.420 1.00 62.43 C ATOM 979 CD LYS A 62 -16.332 5.211 -24.624 1.00 74.34 C ATOM 980 CE LYS A 62 -16.042 5.676 -26.043 1.00 0.31 C ATOM 981 NZ LYS A 62 -16.819 6.896 -26.396 1.00 53.33 N ATOM 0 H LYS A 62 -16.534 1.482 -27.289 1.00 61.02 H new ATOM 0 HA LYS A 62 -15.869 1.045 -24.460 1.00 12.42 H new ATOM 0 HB2 LYS A 62 -17.649 3.245 -25.578 1.00 22.52 H new ATOM 0 HB3 LYS A 62 -17.720 2.713 -23.910 1.00 22.52 H new ATOM 0 HG2 LYS A 62 -15.631 3.608 -23.382 1.00 62.43 H new ATOM 0 HG3 LYS A 62 -15.057 3.535 -25.037 1.00 62.43 H new ATOM 0 HD2 LYS A 62 -17.395 5.326 -24.412 1.00 74.34 H new ATOM 0 HD3 LYS A 62 -15.796 5.843 -23.916 1.00 74.34 H new ATOM 0 HE2 LYS A 62 -14.977 5.881 -26.147 1.00 0.31 H new ATOM 0 HE3 LYS A 62 -16.283 4.877 -26.744 1.00 0.31 H new ATOM 0 HZ1 LYS A 62 -16.594 7.181 -27.370 1.00 53.33 H new ATOM 0 HZ2 LYS A 62 -17.836 6.693 -26.321 1.00 53.33 H new ATOM 0 HZ3 LYS A 62 -16.570 7.667 -25.743 1.00 53.33 H new ATOM 995 N VAL A 63 -18.295 0.111 -24.082 1.00 75.23 N ATOM 996 CA VAL A 63 -19.433 -0.798 -23.999 1.00 4.12 C ATOM 997 C VAL A 63 -20.171 -0.634 -22.675 1.00 53.33 C ATOM 998 O VAL A 63 -19.698 0.051 -21.768 1.00 11.05 O ATOM 999 CB VAL A 63 -18.990 -2.266 -24.149 1.00 14.44 C ATOM 1000 CG1 VAL A 63 -18.013 -2.414 -25.304 1.00 42.45 C ATOM 1001 CG2 VAL A 63 -18.376 -2.772 -22.852 1.00 53.40 C ATOM 0 H VAL A 63 -17.954 0.443 -23.180 1.00 75.23 H new ATOM 0 HA VAL A 63 -20.104 -0.543 -24.820 1.00 4.12 H new ATOM 0 HB VAL A 63 -19.869 -2.872 -24.369 1.00 14.44 H new ATOM 0 HG11 VAL A 63 -17.712 -3.458 -25.394 1.00 42.45 H new ATOM 0 HG12 VAL A 63 -18.492 -2.093 -26.229 1.00 42.45 H new ATOM 0 HG13 VAL A 63 -17.134 -1.797 -25.118 1.00 42.45 H new ATOM 0 HG21 VAL A 63 -18.069 -3.810 -22.976 1.00 53.40 H new ATOM 0 HG22 VAL A 63 -17.507 -2.164 -22.599 1.00 53.40 H new ATOM 0 HG23 VAL A 63 -19.112 -2.704 -22.051 1.00 53.40 H new ATOM 1011 N THR A 64 -21.336 -1.267 -22.571 1.00 25.11 N ATOM 1012 CA THR A 64 -22.141 -1.191 -21.359 1.00 21.24 C ATOM 1013 C THR A 64 -21.473 -1.934 -20.207 1.00 43.12 C ATOM 1014 O THR A 64 -20.489 -2.648 -20.403 1.00 71.33 O ATOM 1015 CB THR A 64 -23.549 -1.774 -21.582 1.00 60.33 C ATOM 1016 OG1 THR A 64 -23.954 -1.569 -22.940 1.00 53.22 O ATOM 1017 CG2 THR A 64 -24.557 -1.129 -20.644 1.00 32.05 C ATOM 0 H THR A 64 -21.742 -1.838 -23.312 1.00 25.11 H new ATOM 0 HA THR A 64 -22.229 -0.135 -21.104 1.00 21.24 H new ATOM 0 HB THR A 64 -23.513 -2.843 -21.371 1.00 60.33 H new ATOM 0 HG1 THR A 64 -24.849 -1.944 -23.074 1.00 53.22 H new ATOM 0 HG21 THR A 64 -25.544 -1.557 -20.820 1.00 32.05 H new ATOM 0 HG22 THR A 64 -24.261 -1.312 -19.611 1.00 32.05 H new ATOM 0 HG23 THR A 64 -24.589 -0.055 -20.827 1.00 32.05 H new ATOM 1025 N CYS A 65 -22.013 -1.762 -19.005 1.00 41.45 N ATOM 1026 CA CYS A 65 -21.470 -2.416 -17.821 1.00 45.24 C ATOM 1027 C CYS A 65 -22.580 -3.068 -17.003 1.00 23.52 C ATOM 1028 O CYS A 65 -23.765 -2.866 -17.270 1.00 25.04 O ATOM 1029 CB CYS A 65 -20.711 -1.406 -16.958 1.00 64.01 C ATOM 1030 SG CYS A 65 -18.928 -1.309 -17.321 1.00 51.21 S ATOM 0 H CYS A 65 -22.827 -1.174 -18.825 1.00 41.45 H new ATOM 0 HA CYS A 65 -20.780 -3.194 -18.150 1.00 45.24 H new ATOM 0 HB2 CYS A 65 -21.154 -0.420 -17.098 1.00 64.01 H new ATOM 0 HB3 CYS A 65 -20.843 -1.669 -15.909 1.00 64.01 H new ATOM 1035 N LYS A 66 -22.188 -3.853 -16.004 1.00 40.42 N ATOM 1036 CA LYS A 66 -23.148 -4.535 -15.144 1.00 40.35 C ATOM 1037 C LYS A 66 -24.179 -3.554 -14.595 1.00 73.14 C ATOM 1038 O LYS A 66 -25.373 -3.850 -14.559 1.00 23.12 O ATOM 1039 CB LYS A 66 -22.425 -5.231 -13.989 1.00 43.42 C ATOM 1040 CG LYS A 66 -21.870 -6.597 -14.354 1.00 2.42 C ATOM 1041 CD LYS A 66 -20.447 -6.499 -14.878 1.00 3.25 C ATOM 1042 CE LYS A 66 -20.056 -7.740 -15.665 1.00 31.21 C ATOM 1043 NZ LYS A 66 -18.869 -7.497 -16.530 1.00 63.22 N ATOM 0 H LYS A 66 -21.211 -4.032 -15.770 1.00 40.42 H new ATOM 0 HA LYS A 66 -23.667 -5.283 -15.743 1.00 40.35 H new ATOM 0 HB2 LYS A 66 -21.608 -4.596 -13.647 1.00 43.42 H new ATOM 0 HB3 LYS A 66 -23.115 -5.340 -13.152 1.00 43.42 H new ATOM 0 HG2 LYS A 66 -21.892 -7.246 -13.478 1.00 2.42 H new ATOM 0 HG3 LYS A 66 -22.506 -7.059 -15.109 1.00 2.42 H new ATOM 0 HD2 LYS A 66 -20.352 -5.619 -15.514 1.00 3.25 H new ATOM 0 HD3 LYS A 66 -19.759 -6.365 -14.043 1.00 3.25 H new ATOM 0 HE2 LYS A 66 -19.841 -8.555 -14.974 1.00 31.21 H new ATOM 0 HE3 LYS A 66 -20.896 -8.058 -16.282 1.00 31.21 H new ATOM 0 HZ1 LYS A 66 -18.229 -8.315 -16.478 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -19.178 -7.361 -17.514 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -18.370 -6.645 -16.203 1.00 63.22 H new ATOM 1057 N ASN A 67 -23.710 -2.385 -14.171 1.00 34.22 N ATOM 1058 CA ASN A 67 -24.593 -1.361 -13.624 1.00 42.45 C ATOM 1059 C ASN A 67 -25.233 -0.542 -14.742 1.00 34.34 C ATOM 1060 O ASN A 67 -25.756 0.546 -14.507 1.00 10.34 O ATOM 1061 CB ASN A 67 -23.816 -0.438 -12.683 1.00 31.44 C ATOM 1062 CG ASN A 67 -22.517 0.051 -13.294 1.00 14.23 C ATOM 1063 OD1 ASN A 67 -22.387 0.139 -14.515 1.00 32.23 O ATOM 1064 ND2 ASN A 67 -21.548 0.373 -12.445 1.00 34.25 N ATOM 0 H ASN A 67 -22.724 -2.123 -14.196 1.00 34.22 H new ATOM 0 HA ASN A 67 -25.383 -1.860 -13.063 1.00 42.45 H new ATOM 0 HB2 ASN A 67 -24.438 0.419 -12.424 1.00 31.44 H new ATOM 0 HB3 ASN A 67 -23.601 -0.968 -11.755 1.00 31.44 H new ATOM 0 HD21 ASN A 67 -20.652 0.709 -12.798 1.00 34.25 H new ATOM 0 HD22 ASN A 67 -21.700 0.284 -11.440 1.00 34.25 H new ATOM 1071 N GLY A 68 -25.189 -1.076 -15.959 1.00 1.42 N ATOM 1072 CA GLY A 68 -25.769 -0.382 -17.094 1.00 65.12 C ATOM 1073 C GLY A 68 -25.068 0.928 -17.393 1.00 4.45 C ATOM 1074 O GLY A 68 -25.695 1.885 -17.848 1.00 25.51 O ATOM 0 H GLY A 68 -24.762 -1.976 -16.179 1.00 1.42 H new ATOM 0 HA2 GLY A 68 -25.720 -1.025 -17.973 1.00 65.12 H new ATOM 0 HA3 GLY A 68 -26.824 -0.189 -16.898 1.00 65.12 H new ATOM 1078 N GLN A 69 -23.765 0.973 -17.134 1.00 3.12 N ATOM 1079 CA GLN A 69 -22.979 2.178 -17.376 1.00 33.44 C ATOM 1080 C GLN A 69 -21.973 1.955 -18.499 1.00 63.45 C ATOM 1081 O GLN A 69 -21.812 0.838 -18.990 1.00 22.23 O ATOM 1082 CB GLN A 69 -22.251 2.602 -16.099 1.00 62.32 C ATOM 1083 CG GLN A 69 -23.186 2.991 -14.966 1.00 30.44 C ATOM 1084 CD GLN A 69 -24.118 4.125 -15.341 1.00 53.34 C ATOM 1085 OE1 GLN A 69 -23.813 5.296 -15.114 1.00 1.31 O ATOM 1086 NE2 GLN A 69 -25.263 3.784 -15.921 1.00 35.15 N ATOM 0 H GLN A 69 -23.231 0.190 -16.757 1.00 3.12 H new ATOM 0 HA GLN A 69 -23.662 2.973 -17.677 1.00 33.44 H new ATOM 0 HB2 GLN A 69 -21.612 1.784 -15.767 1.00 62.32 H new ATOM 0 HB3 GLN A 69 -21.598 3.445 -16.326 1.00 62.32 H new ATOM 0 HG2 GLN A 69 -23.776 2.123 -14.673 1.00 30.44 H new ATOM 0 HG3 GLN A 69 -22.596 3.283 -14.097 1.00 30.44 H new ATOM 0 HE21 GLN A 69 -25.476 2.801 -16.091 1.00 35.15 H new ATOM 0 HE22 GLN A 69 -25.930 4.505 -16.197 1.00 35.15 H new ATOM 1095 N GLY A 70 -21.297 3.026 -18.904 1.00 11.23 N ATOM 1096 CA GLY A 70 -20.315 2.926 -19.967 1.00 41.23 C ATOM 1097 C GLY A 70 -18.892 2.921 -19.444 1.00 52.41 C ATOM 1098 O GLY A 70 -18.037 3.650 -19.946 1.00 12.05 O ATOM 0 H GLY A 70 -21.412 3.962 -18.514 1.00 11.23 H new ATOM 0 HA2 GLY A 70 -20.493 2.014 -20.537 1.00 41.23 H new ATOM 0 HA3 GLY A 70 -20.443 3.762 -20.655 1.00 41.23 H new ATOM 1102 N ASN A 71 -18.638 2.099 -18.432 1.00 34.24 N ATOM 1103 CA ASN A 71 -17.309 2.004 -17.838 1.00 55.13 C ATOM 1104 C ASN A 71 -16.529 0.838 -18.437 1.00 24.25 C ATOM 1105 O ASN A 71 -15.337 0.675 -18.174 1.00 64.30 O ATOM 1106 CB ASN A 71 -17.416 1.836 -16.321 1.00 52.33 C ATOM 1107 CG ASN A 71 -16.077 1.533 -15.678 1.00 31.34 C ATOM 1108 OD1 ASN A 71 -15.354 2.440 -15.266 1.00 63.11 O ATOM 1109 ND2 ASN A 71 -15.741 0.251 -15.588 1.00 41.10 N ATOM 0 H ASN A 71 -19.335 1.488 -18.005 1.00 34.24 H new ATOM 0 HA ASN A 71 -16.773 2.928 -18.057 1.00 55.13 H new ATOM 0 HB2 ASN A 71 -17.828 2.746 -15.885 1.00 52.33 H new ATOM 0 HB3 ASN A 71 -18.115 1.031 -16.096 1.00 52.33 H new ATOM 0 HD21 ASN A 71 -14.852 -0.015 -15.164 1.00 41.10 H new ATOM 0 HD22 ASN A 71 -16.372 -0.468 -15.943 1.00 41.10 H new ATOM 1116 N CYS A 72 -17.208 0.029 -19.242 1.00 55.24 N ATOM 1117 CA CYS A 72 -16.580 -1.122 -19.879 1.00 71.00 C ATOM 1118 C CYS A 72 -16.088 -0.768 -21.279 1.00 40.14 C ATOM 1119 O CYS A 72 -16.329 0.334 -21.773 1.00 60.14 O ATOM 1120 CB CYS A 72 -17.565 -2.291 -19.953 1.00 4.21 C ATOM 1121 SG CYS A 72 -18.226 -2.809 -18.337 1.00 13.13 S ATOM 0 H CYS A 72 -18.195 0.149 -19.469 1.00 55.24 H new ATOM 0 HA CYS A 72 -15.722 -1.416 -19.275 1.00 71.00 H new ATOM 0 HB2 CYS A 72 -18.396 -2.012 -20.601 1.00 4.21 H new ATOM 0 HB3 CYS A 72 -17.069 -3.142 -20.420 1.00 4.21 H new ATOM 1126 N TYR A 73 -15.398 -1.709 -21.913 1.00 61.34 N ATOM 1127 CA TYR A 73 -14.870 -1.497 -23.256 1.00 2.33 C ATOM 1128 C TYR A 73 -14.480 -2.822 -23.904 1.00 4.52 C ATOM 1129 O TYR A 73 -14.130 -3.783 -23.219 1.00 35.03 O ATOM 1130 CB TYR A 73 -13.659 -0.563 -23.208 1.00 62.30 C ATOM 1131 CG TYR A 73 -13.759 0.504 -22.142 1.00 4.12 C ATOM 1132 CD1 TYR A 73 -13.404 0.235 -20.826 1.00 22.12 C ATOM 1133 CD2 TYR A 73 -14.207 1.782 -22.451 1.00 0.50 C ATOM 1134 CE1 TYR A 73 -13.494 1.207 -19.848 1.00 72.15 C ATOM 1135 CE2 TYR A 73 -14.299 2.761 -21.480 1.00 52.33 C ATOM 1136 CZ TYR A 73 -13.942 2.468 -20.181 1.00 12.54 C ATOM 1137 OH TYR A 73 -14.032 3.440 -19.210 1.00 73.02 O ATOM 0 H TYR A 73 -15.191 -2.627 -21.519 1.00 61.34 H new ATOM 0 HA TYR A 73 -15.653 -1.036 -23.859 1.00 2.33 H new ATOM 0 HB2 TYR A 73 -12.761 -1.155 -23.034 1.00 62.30 H new ATOM 0 HB3 TYR A 73 -13.542 -0.084 -24.180 1.00 62.30 H new ATOM 0 HD1 TYR A 73 -13.051 -0.751 -20.563 1.00 22.12 H new ATOM 0 HD2 TYR A 73 -14.488 2.015 -23.467 1.00 0.50 H new ATOM 0 HE1 TYR A 73 -13.215 0.981 -18.829 1.00 72.15 H new ATOM 0 HE2 TYR A 73 -14.649 3.750 -21.737 1.00 52.33 H new ATOM 0 HH TYR A 73 -13.290 4.072 -19.310 1.00 73.02 H new ATOM 1147 N LYS A 74 -14.541 -2.864 -25.230 1.00 70.24 N ATOM 1148 CA LYS A 74 -14.193 -4.069 -25.975 1.00 1.24 C ATOM 1149 C LYS A 74 -12.935 -3.848 -26.809 1.00 32.50 C ATOM 1150 O LYS A 74 -12.792 -2.823 -27.474 1.00 51.23 O ATOM 1151 CB LYS A 74 -15.353 -4.486 -26.882 1.00 1.24 C ATOM 1152 CG LYS A 74 -16.250 -5.550 -26.272 1.00 45.50 C ATOM 1153 CD LYS A 74 -17.345 -5.975 -27.236 1.00 1.45 C ATOM 1154 CE LYS A 74 -18.006 -4.773 -27.893 1.00 14.14 C ATOM 1155 NZ LYS A 74 -19.121 -5.177 -28.793 1.00 74.12 N ATOM 0 H LYS A 74 -14.828 -2.077 -25.812 1.00 70.24 H new ATOM 0 HA LYS A 74 -13.997 -4.866 -25.258 1.00 1.24 H new ATOM 0 HB2 LYS A 74 -15.954 -3.607 -27.117 1.00 1.24 H new ATOM 0 HB3 LYS A 74 -14.951 -4.858 -27.824 1.00 1.24 H new ATOM 0 HG2 LYS A 74 -15.651 -6.417 -25.995 1.00 45.50 H new ATOM 0 HG3 LYS A 74 -16.699 -5.167 -25.356 1.00 45.50 H new ATOM 0 HD2 LYS A 74 -16.924 -6.625 -28.003 1.00 1.45 H new ATOM 0 HD3 LYS A 74 -18.096 -6.558 -26.702 1.00 1.45 H new ATOM 0 HE2 LYS A 74 -18.386 -4.101 -27.123 1.00 14.14 H new ATOM 0 HE3 LYS A 74 -17.262 -4.216 -28.463 1.00 14.14 H new ATOM 0 HZ1 LYS A 74 -19.546 -4.330 -29.221 1.00 74.12 H new ATOM 0 HZ2 LYS A 74 -18.754 -5.798 -29.543 1.00 74.12 H new ATOM 0 HZ3 LYS A 74 -19.843 -5.686 -28.244 1.00 74.12 H new ATOM 1169 N SER A 75 -12.027 -4.818 -26.770 1.00 30.22 N ATOM 1170 CA SER A 75 -10.780 -4.729 -27.521 1.00 13.22 C ATOM 1171 C SER A 75 -11.054 -4.637 -29.019 1.00 1.41 C ATOM 1172 O SER A 75 -11.673 -5.525 -29.604 1.00 4.44 O ATOM 1173 CB SER A 75 -9.895 -5.941 -27.226 1.00 63.13 C ATOM 1174 OG SER A 75 -8.645 -5.831 -27.885 1.00 24.54 O ATOM 0 H SER A 75 -12.132 -5.675 -26.226 1.00 30.22 H new ATOM 0 HA SER A 75 -10.260 -3.824 -27.208 1.00 13.22 H new ATOM 0 HB2 SER A 75 -9.737 -6.027 -26.151 1.00 63.13 H new ATOM 0 HB3 SER A 75 -10.401 -6.852 -27.548 1.00 63.13 H new ATOM 0 HG SER A 75 -8.498 -6.624 -28.441 1.00 24.54 H new ATOM 1180 N ASN A 76 -10.588 -3.554 -29.634 1.00 23.34 N ATOM 1181 CA ASN A 76 -10.782 -3.344 -31.064 1.00 31.33 C ATOM 1182 C ASN A 76 -10.027 -4.393 -31.875 1.00 43.50 C ATOM 1183 O ASN A 76 -10.225 -4.518 -33.083 1.00 64.15 O ATOM 1184 CB ASN A 76 -10.317 -1.942 -31.462 1.00 70.22 C ATOM 1185 CG ASN A 76 -11.113 -1.377 -32.623 1.00 32.04 C ATOM 1186 OD1 ASN A 76 -10.671 -1.417 -33.771 1.00 12.21 O ATOM 1187 ND2 ASN A 76 -12.294 -0.847 -32.327 1.00 12.31 N ATOM 0 H ASN A 76 -10.074 -2.809 -29.164 1.00 23.34 H new ATOM 0 HA ASN A 76 -11.846 -3.441 -31.280 1.00 31.33 H new ATOM 0 HB2 ASN A 76 -10.407 -1.275 -30.605 1.00 70.22 H new ATOM 0 HB3 ASN A 76 -9.261 -1.975 -31.731 1.00 70.22 H new ATOM 0 HD21 ASN A 76 -12.875 -0.451 -33.066 1.00 12.31 H new ATOM 0 HD22 ASN A 76 -12.620 -0.836 -31.361 1.00 12.31 H new ATOM 1194 N SER A 77 -9.161 -5.143 -31.202 1.00 21.34 N ATOM 1195 CA SER A 77 -8.373 -6.179 -31.860 1.00 13.00 C ATOM 1196 C SER A 77 -8.354 -7.458 -31.028 1.00 51.13 C ATOM 1197 O SER A 77 -8.921 -7.510 -29.937 1.00 71.40 O ATOM 1198 CB SER A 77 -6.943 -5.689 -32.096 1.00 73.21 C ATOM 1199 OG SER A 77 -6.820 -5.067 -33.363 1.00 71.13 O ATOM 0 H SER A 77 -8.987 -5.053 -30.201 1.00 21.34 H new ATOM 0 HA SER A 77 -8.837 -6.399 -32.821 1.00 13.00 H new ATOM 0 HB2 SER A 77 -6.663 -4.985 -31.313 1.00 73.21 H new ATOM 0 HB3 SER A 77 -6.252 -6.529 -32.031 1.00 73.21 H new ATOM 0 HG SER A 77 -5.898 -4.761 -33.489 1.00 71.13 H new ATOM 1205 N SER A 78 -7.697 -8.488 -31.553 1.00 14.40 N ATOM 1206 CA SER A 78 -7.607 -9.768 -30.862 1.00 25.50 C ATOM 1207 C SER A 78 -6.323 -9.853 -30.042 1.00 21.33 C ATOM 1208 O SER A 78 -5.304 -9.263 -30.400 1.00 73.34 O ATOM 1209 CB SER A 78 -7.659 -10.920 -31.868 1.00 52.32 C ATOM 1210 OG SER A 78 -6.617 -10.811 -32.823 1.00 15.13 O ATOM 0 H SER A 78 -7.220 -8.460 -32.454 1.00 14.40 H new ATOM 0 HA SER A 78 -8.457 -9.848 -30.185 1.00 25.50 H new ATOM 0 HB2 SER A 78 -7.576 -11.871 -31.341 1.00 52.32 H new ATOM 0 HB3 SER A 78 -8.623 -10.920 -32.376 1.00 52.32 H new ATOM 0 HG SER A 78 -6.671 -11.560 -33.453 1.00 15.13 H new ATOM 1216 N MET A 79 -6.381 -10.592 -28.938 1.00 40.14 N ATOM 1217 CA MET A 79 -5.223 -10.756 -28.067 1.00 51.40 C ATOM 1218 C MET A 79 -5.149 -12.179 -27.522 1.00 55.53 C ATOM 1219 O MET A 79 -6.175 -12.816 -27.283 1.00 75.33 O ATOM 1220 CB MET A 79 -5.284 -9.757 -26.910 1.00 4.41 C ATOM 1221 CG MET A 79 -4.550 -8.455 -27.192 1.00 31.45 C ATOM 1222 SD MET A 79 -5.637 -7.172 -27.843 1.00 21.34 S ATOM 1223 CE MET A 79 -5.718 -6.056 -26.445 1.00 3.44 C ATOM 0 H MET A 79 -7.217 -11.086 -28.626 1.00 40.14 H new ATOM 0 HA MET A 79 -4.326 -10.565 -28.656 1.00 51.40 H new ATOM 0 HB2 MET A 79 -6.328 -9.535 -26.687 1.00 4.41 H new ATOM 0 HB3 MET A 79 -4.859 -10.219 -26.019 1.00 4.41 H new ATOM 0 HG2 MET A 79 -4.084 -8.099 -26.273 1.00 31.45 H new ATOM 0 HG3 MET A 79 -3.747 -8.642 -27.905 1.00 31.45 H new ATOM 0 HE1 MET A 79 -5.811 -5.031 -26.803 1.00 3.44 H new ATOM 0 HE2 MET A 79 -6.582 -6.306 -25.830 1.00 3.44 H new ATOM 0 HE3 MET A 79 -4.810 -6.151 -25.850 1.00 3.44 H new ATOM 1233 N HIS A 80 -3.930 -12.671 -27.328 1.00 51.05 N ATOM 1234 CA HIS A 80 -3.723 -14.019 -26.811 1.00 73.14 C ATOM 1235 C HIS A 80 -4.261 -14.144 -25.389 1.00 55.02 C ATOM 1236 O HIS A 80 -3.866 -13.393 -24.498 1.00 5.35 O ATOM 1237 CB HIS A 80 -2.237 -14.377 -26.840 1.00 0.41 C ATOM 1238 CG HIS A 80 -1.586 -14.127 -28.166 1.00 12.35 C ATOM 1239 ND1 HIS A 80 -0.224 -13.980 -28.319 1.00 43.13 N ATOM 1240 CD2 HIS A 80 -2.119 -13.999 -29.403 1.00 62.53 C ATOM 1241 CE1 HIS A 80 0.053 -13.771 -29.594 1.00 23.50 C ATOM 1242 NE2 HIS A 80 -1.079 -13.779 -30.273 1.00 74.23 N ATOM 0 H HIS A 80 -3.071 -12.157 -27.521 1.00 51.05 H new ATOM 0 HA HIS A 80 -4.269 -14.714 -27.449 1.00 73.14 H new ATOM 0 HB2 HIS A 80 -1.718 -13.800 -26.075 1.00 0.41 H new ATOM 0 HB3 HIS A 80 -2.120 -15.429 -26.580 1.00 0.41 H new ATOM 0 HD2 HIS A 80 -3.167 -14.059 -29.659 1.00 62.53 H new ATOM 0 HE1 HIS A 80 1.038 -13.619 -30.010 1.00 23.50 H new ATOM 0 HE2 HIS A 80 -1.167 -13.644 -31.280 1.00 74.23 H new ATOM 1250 N ILE A 81 -5.166 -15.096 -25.185 1.00 64.15 N ATOM 1251 CA ILE A 81 -5.757 -15.319 -23.872 1.00 51.30 C ATOM 1252 C ILE A 81 -5.931 -16.808 -23.592 1.00 42.45 C ATOM 1253 O ILE A 81 -6.132 -17.604 -24.510 1.00 34.11 O ATOM 1254 CB ILE A 81 -7.124 -14.621 -23.745 1.00 12.03 C ATOM 1255 CG1 ILE A 81 -8.172 -15.345 -24.593 1.00 45.35 C ATOM 1256 CG2 ILE A 81 -7.015 -13.161 -24.160 1.00 24.43 C ATOM 1257 CD1 ILE A 81 -7.989 -15.141 -26.081 1.00 54.22 C ATOM 0 H ILE A 81 -5.506 -15.725 -25.913 1.00 64.15 H new ATOM 0 HA ILE A 81 -5.070 -14.893 -23.141 1.00 51.30 H new ATOM 0 HB ILE A 81 -7.439 -14.659 -22.702 1.00 12.03 H new ATOM 0 HG12 ILE A 81 -8.132 -16.412 -24.373 1.00 45.35 H new ATOM 0 HG13 ILE A 81 -9.164 -14.997 -24.306 1.00 45.35 H new ATOM 0 HG21 ILE A 81 -7.989 -12.682 -24.065 1.00 24.43 H new ATOM 0 HG22 ILE A 81 -6.296 -12.653 -23.517 1.00 24.43 H new ATOM 0 HG23 ILE A 81 -6.681 -13.101 -25.196 1.00 24.43 H new ATOM 0 HD11 ILE A 81 -8.766 -15.682 -26.621 1.00 54.22 H new ATOM 0 HD12 ILE A 81 -8.058 -14.078 -26.314 1.00 54.22 H new ATOM 0 HD13 ILE A 81 -7.011 -15.515 -26.382 1.00 54.22 H new ATOM 1269 N THR A 82 -5.853 -17.178 -22.318 1.00 71.10 N ATOM 1270 CA THR A 82 -6.002 -18.571 -21.917 1.00 32.15 C ATOM 1271 C THR A 82 -7.285 -18.779 -21.120 1.00 30.42 C ATOM 1272 O THR A 82 -7.365 -18.414 -19.947 1.00 23.12 O ATOM 1273 CB THR A 82 -4.804 -19.044 -21.071 1.00 51.55 C ATOM 1274 OG1 THR A 82 -3.685 -19.320 -21.920 1.00 63.34 O ATOM 1275 CG2 THR A 82 -5.162 -20.288 -20.274 1.00 20.43 C ATOM 0 H THR A 82 -5.687 -16.532 -21.546 1.00 71.10 H new ATOM 0 HA THR A 82 -6.046 -19.160 -22.833 1.00 32.15 H new ATOM 0 HB THR A 82 -4.543 -18.249 -20.373 1.00 51.55 H new ATOM 0 HG1 THR A 82 -2.864 -19.334 -21.385 1.00 63.34 H new ATOM 0 HG21 THR A 82 -4.301 -20.603 -19.685 1.00 20.43 H new ATOM 0 HG22 THR A 82 -5.996 -20.066 -19.608 1.00 20.43 H new ATOM 0 HG23 THR A 82 -5.447 -21.088 -20.957 1.00 20.43 H new ATOM 1283 N ASP A 83 -8.286 -19.369 -21.764 1.00 15.35 N ATOM 1284 CA ASP A 83 -9.566 -19.627 -21.114 1.00 31.53 C ATOM 1285 C ASP A 83 -9.398 -20.601 -19.951 1.00 12.40 C ATOM 1286 O ASP A 83 -8.820 -21.677 -20.106 1.00 42.54 O ATOM 1287 CB ASP A 83 -10.571 -20.187 -22.122 1.00 64.03 C ATOM 1288 CG ASP A 83 -12.000 -19.808 -21.787 1.00 62.21 C ATOM 1289 OD1 ASP A 83 -12.243 -18.622 -21.484 1.00 10.32 O ATOM 1290 OD2 ASP A 83 -12.875 -20.699 -21.827 1.00 41.53 O ATOM 0 H ASP A 83 -8.236 -19.678 -22.735 1.00 15.35 H new ATOM 0 HA ASP A 83 -9.943 -18.682 -20.723 1.00 31.53 H new ATOM 0 HB2 ASP A 83 -10.325 -19.820 -23.118 1.00 64.03 H new ATOM 0 HB3 ASP A 83 -10.484 -21.273 -22.152 1.00 64.03 H new ATOM 1295 N CYS A 84 -9.907 -20.215 -18.785 1.00 64.14 N ATOM 1296 CA CYS A 84 -9.812 -21.052 -17.595 1.00 51.42 C ATOM 1297 C CYS A 84 -11.173 -21.191 -16.919 1.00 70.31 C ATOM 1298 O CYS A 84 -11.627 -20.284 -16.221 1.00 61.32 O ATOM 1299 CB CYS A 84 -8.800 -20.462 -16.611 1.00 64.41 C ATOM 1300 SG CYS A 84 -7.096 -20.388 -17.252 1.00 71.23 S ATOM 0 H CYS A 84 -10.389 -19.328 -18.639 1.00 64.14 H new ATOM 0 HA CYS A 84 -9.475 -22.042 -17.903 1.00 51.42 H new ATOM 0 HB2 CYS A 84 -9.118 -19.456 -16.339 1.00 64.41 H new ATOM 0 HB3 CYS A 84 -8.808 -21.057 -15.698 1.00 64.41 H new ATOM 1305 N ARG A 85 -11.818 -22.334 -17.131 1.00 54.41 N ATOM 1306 CA ARG A 85 -13.127 -22.592 -16.543 1.00 73.04 C ATOM 1307 C ARG A 85 -13.189 -23.996 -15.950 1.00 30.42 C ATOM 1308 O ARG A 85 -12.644 -24.946 -16.515 1.00 53.42 O ATOM 1309 CB ARG A 85 -14.225 -22.423 -17.596 1.00 2.25 C ATOM 1310 CG ARG A 85 -15.578 -22.959 -17.156 1.00 65.13 C ATOM 1311 CD ARG A 85 -16.711 -22.332 -17.953 1.00 2.10 C ATOM 1312 NE ARG A 85 -16.815 -22.898 -19.295 1.00 42.23 N ATOM 1313 CZ ARG A 85 -17.377 -22.264 -20.318 1.00 72.14 C ATOM 1314 NH1 ARG A 85 -17.883 -21.050 -20.153 1.00 51.22 N ATOM 1315 NH2 ARG A 85 -17.434 -22.845 -21.510 1.00 62.10 N ATOM 0 H ARG A 85 -11.456 -23.095 -17.705 1.00 54.41 H new ATOM 0 HA ARG A 85 -13.286 -21.870 -15.742 1.00 73.04 H new ATOM 0 HB2 ARG A 85 -14.324 -21.365 -17.839 1.00 2.25 H new ATOM 0 HB3 ARG A 85 -13.921 -22.933 -18.510 1.00 2.25 H new ATOM 0 HG2 ARG A 85 -15.600 -24.042 -17.280 1.00 65.13 H new ATOM 0 HG3 ARG A 85 -15.723 -22.757 -16.095 1.00 65.13 H new ATOM 0 HD2 ARG A 85 -17.652 -22.480 -17.423 1.00 2.10 H new ATOM 0 HD3 ARG A 85 -16.552 -21.256 -18.025 1.00 2.10 H new ATOM 0 HE ARG A 85 -16.435 -23.831 -19.456 1.00 42.23 H new ATOM 0 HH11 ARG A 85 -17.841 -20.600 -19.239 1.00 51.22 H new ATOM 0 HH12 ARG A 85 -18.314 -20.566 -20.941 1.00 51.22 H new ATOM 0 HH21 ARG A 85 -17.046 -23.779 -21.641 1.00 62.10 H new ATOM 0 HH22 ARG A 85 -17.866 -22.357 -22.295 1.00 62.10 H new ATOM 1329 N LEU A 86 -13.855 -24.121 -14.807 1.00 70.32 N ATOM 1330 CA LEU A 86 -13.988 -25.410 -14.136 1.00 50.30 C ATOM 1331 C LEU A 86 -14.515 -26.472 -15.096 1.00 13.35 C ATOM 1332 O LEU A 86 -15.198 -26.159 -16.072 1.00 0.14 O ATOM 1333 CB LEU A 86 -14.922 -25.285 -12.931 1.00 75.34 C ATOM 1334 CG LEU A 86 -14.261 -24.913 -11.604 1.00 64.41 C ATOM 1335 CD1 LEU A 86 -15.313 -24.612 -10.549 1.00 33.14 C ATOM 1336 CD2 LEU A 86 -13.338 -26.030 -11.137 1.00 14.14 C ATOM 0 H LEU A 86 -14.311 -23.346 -14.326 1.00 70.32 H new ATOM 0 HA LEU A 86 -13.000 -25.717 -13.792 1.00 50.30 H new ATOM 0 HB2 LEU A 86 -15.679 -24.534 -13.160 1.00 75.34 H new ATOM 0 HB3 LEU A 86 -15.443 -26.234 -12.801 1.00 75.34 H new ATOM 0 HG LEU A 86 -13.663 -24.014 -11.757 1.00 64.41 H new ATOM 0 HD11 LEU A 86 -14.823 -24.349 -9.611 1.00 33.14 H new ATOM 0 HD12 LEU A 86 -15.933 -23.779 -10.881 1.00 33.14 H new ATOM 0 HD13 LEU A 86 -15.938 -25.492 -10.397 1.00 33.14 H new ATOM 0 HD21 LEU A 86 -12.876 -25.748 -10.191 1.00 14.14 H new ATOM 0 HD22 LEU A 86 -13.914 -26.945 -11.001 1.00 14.14 H new ATOM 0 HD23 LEU A 86 -12.562 -26.197 -11.884 1.00 14.14 H new ATOM 1348 N THR A 87 -14.196 -27.730 -14.811 1.00 21.44 N ATOM 1349 CA THR A 87 -14.638 -28.839 -15.647 1.00 22.10 C ATOM 1350 C THR A 87 -16.087 -29.208 -15.350 1.00 24.40 C ATOM 1351 O THR A 87 -16.542 -30.298 -15.694 1.00 53.04 O ATOM 1352 CB THR A 87 -13.751 -30.083 -15.446 1.00 14.33 C ATOM 1353 OG1 THR A 87 -14.333 -30.945 -14.461 1.00 3.50 O ATOM 1354 CG2 THR A 87 -12.349 -29.683 -15.013 1.00 22.21 C ATOM 0 H THR A 87 -13.633 -28.007 -14.007 1.00 21.44 H new ATOM 0 HA THR A 87 -14.556 -28.507 -16.682 1.00 22.10 H new ATOM 0 HB THR A 87 -13.683 -30.612 -16.397 1.00 14.33 H new ATOM 0 HG1 THR A 87 -13.886 -30.807 -13.600 1.00 3.50 H new ATOM 0 HG21 THR A 87 -11.741 -30.577 -14.877 1.00 22.21 H new ATOM 0 HG22 THR A 87 -11.898 -29.051 -15.778 1.00 22.21 H new ATOM 0 HG23 THR A 87 -12.401 -29.134 -14.073 1.00 22.21 H new ATOM 1362 N ASN A 88 -16.806 -28.293 -14.709 1.00 73.11 N ATOM 1363 CA ASN A 88 -18.205 -28.523 -14.366 1.00 21.42 C ATOM 1364 C ASN A 88 -18.347 -29.732 -13.445 1.00 13.50 C ATOM 1365 O ASN A 88 -19.183 -30.605 -13.674 1.00 11.31 O ATOM 1366 CB ASN A 88 -19.035 -28.734 -15.634 1.00 1.23 C ATOM 1367 CG ASN A 88 -20.469 -28.268 -15.470 1.00 42.21 C ATOM 1368 OD1 ASN A 88 -20.838 -27.187 -15.929 1.00 0.43 O ATOM 1369 ND2 ASN A 88 -21.285 -29.084 -14.813 1.00 63.13 N ATOM 0 H ASN A 88 -16.444 -27.386 -14.416 1.00 73.11 H new ATOM 0 HA ASN A 88 -18.574 -27.642 -13.841 1.00 21.42 H new ATOM 0 HB2 ASN A 88 -18.573 -28.195 -16.461 1.00 1.23 H new ATOM 0 HB3 ASN A 88 -19.027 -29.791 -15.898 1.00 1.23 H new ATOM 0 HD21 ASN A 88 -22.261 -28.824 -14.672 1.00 63.13 H new ATOM 0 HD22 ASN A 88 -20.936 -29.971 -14.450 1.00 63.13 H new ATOM 1376 N GLY A 89 -17.524 -29.774 -12.401 1.00 53.24 N ATOM 1377 CA GLY A 89 -17.575 -30.878 -11.461 1.00 63.23 C ATOM 1378 C GLY A 89 -16.456 -30.821 -10.440 1.00 33.53 C ATOM 1379 O GLY A 89 -16.558 -31.411 -9.364 1.00 73.42 O ATOM 0 H GLY A 89 -16.823 -29.063 -12.190 1.00 53.24 H new ATOM 0 HA2 GLY A 89 -18.535 -30.868 -10.945 1.00 63.23 H new ATOM 0 HA3 GLY A 89 -17.517 -31.819 -12.007 1.00 63.23 H new ATOM 1383 N SER A 90 -15.385 -30.111 -10.777 1.00 3.24 N ATOM 1384 CA SER A 90 -14.240 -29.984 -9.883 1.00 3.15 C ATOM 1385 C SER A 90 -14.462 -28.863 -8.871 1.00 64.15 C ATOM 1386 O SER A 90 -14.330 -27.683 -9.197 1.00 63.24 O ATOM 1387 CB SER A 90 -12.966 -29.716 -10.686 1.00 64.41 C ATOM 1388 OG SER A 90 -12.945 -30.481 -11.879 1.00 51.11 O ATOM 0 H SER A 90 -15.286 -29.615 -11.663 1.00 3.24 H new ATOM 0 HA SER A 90 -14.128 -30.923 -9.341 1.00 3.15 H new ATOM 0 HB2 SER A 90 -12.902 -28.655 -10.929 1.00 64.41 H new ATOM 0 HB3 SER A 90 -12.093 -29.957 -10.080 1.00 64.41 H new ATOM 0 HG SER A 90 -12.512 -31.343 -11.707 1.00 51.11 H new ATOM 1394 N ARG A 91 -14.799 -29.241 -7.643 1.00 74.20 N ATOM 1395 CA ARG A 91 -15.041 -28.269 -6.584 1.00 30.23 C ATOM 1396 C ARG A 91 -13.948 -28.340 -5.521 1.00 50.23 C ATOM 1397 O ARG A 91 -13.174 -29.296 -5.475 1.00 33.52 O ATOM 1398 CB ARG A 91 -16.408 -28.512 -5.941 1.00 61.33 C ATOM 1399 CG ARG A 91 -17.533 -27.717 -6.583 1.00 42.23 C ATOM 1400 CD ARG A 91 -17.397 -26.229 -6.298 1.00 23.44 C ATOM 1401 NE ARG A 91 -17.876 -25.882 -4.962 1.00 60.54 N ATOM 1402 CZ ARG A 91 -18.303 -24.670 -4.627 1.00 33.31 C ATOM 1403 NH1 ARG A 91 -18.311 -23.695 -5.525 1.00 14.44 N ATOM 1404 NH2 ARG A 91 -18.724 -24.432 -3.391 1.00 73.33 N ATOM 0 H ARG A 91 -14.911 -30.214 -7.357 1.00 74.20 H new ATOM 0 HA ARG A 91 -15.028 -27.274 -7.029 1.00 30.23 H new ATOM 0 HB2 ARG A 91 -16.645 -29.574 -6.001 1.00 61.33 H new ATOM 0 HB3 ARG A 91 -16.353 -28.257 -4.883 1.00 61.33 H new ATOM 0 HG2 ARG A 91 -17.529 -27.884 -7.660 1.00 42.23 H new ATOM 0 HG3 ARG A 91 -18.492 -28.074 -6.208 1.00 42.23 H new ATOM 0 HD2 ARG A 91 -16.352 -25.935 -6.396 1.00 23.44 H new ATOM 0 HD3 ARG A 91 -17.958 -25.664 -7.042 1.00 23.44 H new ATOM 0 HE ARG A 91 -17.883 -26.610 -4.248 1.00 60.54 H new ATOM 0 HH11 ARG A 91 -17.989 -23.875 -6.476 1.00 14.44 H new ATOM 0 HH12 ARG A 91 -18.639 -22.765 -5.265 1.00 14.44 H new ATOM 0 HH21 ARG A 91 -18.720 -25.180 -2.698 1.00 73.33 H new ATOM 0 HH22 ARG A 91 -19.052 -23.501 -3.134 1.00 73.33 H new ATOM 1418 N TYR A 92 -13.890 -27.321 -4.671 1.00 35.23 N ATOM 1419 CA TYR A 92 -12.891 -27.266 -3.611 1.00 22.13 C ATOM 1420 C TYR A 92 -12.895 -28.553 -2.791 1.00 3.33 C ATOM 1421 O TYR A 92 -13.944 -29.085 -2.428 1.00 1.34 O ATOM 1422 CB TYR A 92 -13.150 -26.066 -2.699 1.00 2.05 C ATOM 1423 CG TYR A 92 -11.983 -25.726 -1.800 1.00 4.44 C ATOM 1424 CD1 TYR A 92 -11.586 -26.590 -0.787 1.00 4.13 C ATOM 1425 CD2 TYR A 92 -11.278 -24.540 -1.962 1.00 45.54 C ATOM 1426 CE1 TYR A 92 -10.520 -26.283 0.038 1.00 52.04 C ATOM 1427 CE2 TYR A 92 -10.210 -24.225 -1.144 1.00 31.11 C ATOM 1428 CZ TYR A 92 -9.835 -25.100 -0.145 1.00 54.33 C ATOM 1429 OH TYR A 92 -8.774 -24.789 0.673 1.00 24.40 O ATOM 0 H TYR A 92 -14.523 -26.522 -4.696 1.00 35.23 H new ATOM 0 HA TYR A 92 -11.911 -27.156 -4.076 1.00 22.13 H new ATOM 0 HB2 TYR A 92 -13.389 -25.198 -3.314 1.00 2.05 H new ATOM 0 HB3 TYR A 92 -14.025 -26.271 -2.082 1.00 2.05 H new ATOM 0 HD1 TYR A 92 -12.119 -27.518 -0.642 1.00 4.13 H new ATOM 0 HD2 TYR A 92 -11.570 -23.852 -2.741 1.00 45.54 H new ATOM 0 HE1 TYR A 92 -10.225 -26.966 0.821 1.00 52.04 H new ATOM 0 HE2 TYR A 92 -9.672 -23.299 -1.286 1.00 31.11 H new ATOM 0 HH TYR A 92 -8.401 -23.922 0.410 1.00 24.40 H new ATOM 1439 N PRO A 93 -11.692 -29.065 -2.491 1.00 31.43 N ATOM 1440 CA PRO A 93 -10.436 -28.441 -2.918 1.00 34.03 C ATOM 1441 C PRO A 93 -10.217 -28.551 -4.423 1.00 23.14 C ATOM 1442 O PRO A 93 -9.479 -27.762 -5.011 1.00 1.22 O ATOM 1443 CB PRO A 93 -9.370 -29.237 -2.162 1.00 5.01 C ATOM 1444 CG PRO A 93 -9.998 -30.562 -1.903 1.00 34.51 C ATOM 1445 CD PRO A 93 -11.466 -30.294 -1.712 1.00 24.51 C ATOM 0 HA PRO A 93 -10.419 -27.372 -2.706 1.00 34.03 H new ATOM 0 HB2 PRO A 93 -8.460 -29.339 -2.753 1.00 5.01 H new ATOM 0 HB3 PRO A 93 -9.092 -28.742 -1.231 1.00 5.01 H new ATOM 0 HG2 PRO A 93 -9.831 -31.243 -2.738 1.00 34.51 H new ATOM 0 HG3 PRO A 93 -9.568 -31.031 -1.018 1.00 34.51 H new ATOM 0 HD2 PRO A 93 -12.076 -31.120 -2.078 1.00 24.51 H new ATOM 0 HD3 PRO A 93 -11.716 -30.155 -0.660 1.00 24.51 H new ATOM 1453 N ASN A 94 -10.863 -29.535 -5.040 1.00 24.11 N ATOM 1454 CA ASN A 94 -10.737 -29.748 -6.477 1.00 73.12 C ATOM 1455 C ASN A 94 -11.043 -28.466 -7.246 1.00 31.12 C ATOM 1456 O ASN A 94 -12.193 -28.032 -7.319 1.00 32.31 O ATOM 1457 CB ASN A 94 -11.678 -30.866 -6.932 1.00 51.52 C ATOM 1458 CG ASN A 94 -11.992 -31.846 -5.819 1.00 14.13 C ATOM 1459 OD1 ASN A 94 -13.155 -32.061 -5.476 1.00 11.13 O ATOM 1460 ND2 ASN A 94 -10.954 -32.446 -5.248 1.00 51.22 N ATOM 0 H ASN A 94 -11.479 -30.197 -4.568 1.00 24.11 H new ATOM 0 HA ASN A 94 -9.708 -30.040 -6.687 1.00 73.12 H new ATOM 0 HB2 ASN A 94 -12.606 -30.429 -7.300 1.00 51.52 H new ATOM 0 HB3 ASN A 94 -11.225 -31.401 -7.767 1.00 51.52 H new ATOM 0 HD21 ASN A 94 -11.104 -33.115 -4.493 1.00 51.22 H new ATOM 0 HD22 ASN A 94 -10.007 -32.237 -5.564 1.00 51.22 H new ATOM 1467 N CYS A 95 -10.006 -27.864 -7.818 1.00 62.33 N ATOM 1468 CA CYS A 95 -10.162 -26.632 -8.582 1.00 22.31 C ATOM 1469 C CYS A 95 -9.750 -26.838 -10.037 1.00 24.13 C ATOM 1470 O CYS A 95 -9.492 -25.877 -10.761 1.00 61.43 O ATOM 1471 CB CYS A 95 -9.328 -25.512 -7.958 1.00 2.33 C ATOM 1472 SG CYS A 95 -10.052 -24.799 -6.446 1.00 35.32 S ATOM 0 H CYS A 95 -9.048 -28.210 -7.767 1.00 62.33 H new ATOM 0 HA CYS A 95 -11.214 -26.349 -8.558 1.00 22.31 H new ATOM 0 HB2 CYS A 95 -8.336 -25.899 -7.725 1.00 2.33 H new ATOM 0 HB3 CYS A 95 -9.196 -24.719 -8.694 1.00 2.33 H new ATOM 1477 N ALA A 96 -9.690 -28.098 -10.456 1.00 52.45 N ATOM 1478 CA ALA A 96 -9.312 -28.430 -11.824 1.00 51.14 C ATOM 1479 C ALA A 96 -10.137 -27.634 -12.831 1.00 22.44 C ATOM 1480 O ALA A 96 -11.357 -27.782 -12.902 1.00 51.14 O ATOM 1481 CB ALA A 96 -9.474 -29.923 -12.069 1.00 13.20 C ATOM 0 H ALA A 96 -9.898 -28.905 -9.868 1.00 52.45 H new ATOM 0 HA ALA A 96 -8.264 -28.162 -11.960 1.00 51.14 H new ATOM 0 HB1 ALA A 96 -9.188 -30.157 -13.095 1.00 13.20 H new ATOM 0 HB2 ALA A 96 -8.836 -30.476 -11.380 1.00 13.20 H new ATOM 0 HB3 ALA A 96 -10.514 -30.207 -11.909 1.00 13.20 H new ATOM 1487 N TYR A 97 -9.464 -26.791 -13.605 1.00 5.00 N ATOM 1488 CA TYR A 97 -10.135 -25.970 -14.605 1.00 50.42 C ATOM 1489 C TYR A 97 -9.774 -26.425 -16.016 1.00 4.32 C ATOM 1490 O TYR A 97 -9.026 -27.386 -16.197 1.00 73.15 O ATOM 1491 CB TYR A 97 -9.762 -24.498 -14.421 1.00 1.31 C ATOM 1492 CG TYR A 97 -9.862 -24.022 -12.989 1.00 63.40 C ATOM 1493 CD1 TYR A 97 -11.073 -24.056 -12.308 1.00 43.23 C ATOM 1494 CD2 TYR A 97 -8.746 -23.539 -12.317 1.00 62.21 C ATOM 1495 CE1 TYR A 97 -11.169 -23.622 -11.000 1.00 40.12 C ATOM 1496 CE2 TYR A 97 -8.832 -23.105 -11.009 1.00 15.33 C ATOM 1497 CZ TYR A 97 -10.046 -23.148 -10.355 1.00 11.23 C ATOM 1498 OH TYR A 97 -10.137 -22.715 -9.052 1.00 2.43 O ATOM 0 H TYR A 97 -8.454 -26.658 -13.559 1.00 5.00 H new ATOM 0 HA TYR A 97 -11.210 -26.085 -14.470 1.00 50.42 H new ATOM 0 HB2 TYR A 97 -8.743 -24.343 -14.776 1.00 1.31 H new ATOM 0 HB3 TYR A 97 -10.414 -23.886 -15.045 1.00 1.31 H new ATOM 0 HD1 TYR A 97 -11.954 -24.428 -12.810 1.00 43.23 H new ATOM 0 HD2 TYR A 97 -7.795 -23.502 -12.827 1.00 62.21 H new ATOM 0 HE1 TYR A 97 -12.118 -23.654 -10.486 1.00 40.12 H new ATOM 0 HE2 TYR A 97 -7.954 -22.734 -10.501 1.00 15.33 H new ATOM 0 HH TYR A 97 -10.728 -23.313 -8.549 1.00 2.43 H new ATOM 1508 N ARG A 98 -10.309 -25.726 -17.011 1.00 73.13 N ATOM 1509 CA ARG A 98 -10.045 -26.057 -18.406 1.00 64.42 C ATOM 1510 C ARG A 98 -9.196 -24.977 -19.070 1.00 24.10 C ATOM 1511 O ARG A 98 -9.605 -23.819 -19.162 1.00 24.13 O ATOM 1512 CB ARG A 98 -11.359 -26.229 -19.170 1.00 21.30 C ATOM 1513 CG ARG A 98 -11.870 -27.661 -19.188 1.00 50.42 C ATOM 1514 CD ARG A 98 -11.366 -28.417 -20.408 1.00 13.52 C ATOM 1515 NE ARG A 98 -12.287 -28.310 -21.537 1.00 4.53 N ATOM 1516 CZ ARG A 98 -12.347 -29.198 -22.522 1.00 74.40 C ATOM 1517 NH1 ARG A 98 -11.546 -30.255 -22.517 1.00 11.41 N ATOM 1518 NH2 ARG A 98 -13.212 -29.032 -23.515 1.00 3.20 N ATOM 0 H ARG A 98 -10.928 -24.927 -16.877 1.00 73.13 H new ATOM 0 HA ARG A 98 -9.493 -26.996 -18.431 1.00 64.42 H new ATOM 0 HB2 ARG A 98 -12.117 -25.587 -18.721 1.00 21.30 H new ATOM 0 HB3 ARG A 98 -11.220 -25.889 -20.196 1.00 21.30 H new ATOM 0 HG2 ARG A 98 -11.549 -28.175 -18.282 1.00 50.42 H new ATOM 0 HG3 ARG A 98 -12.960 -27.660 -19.184 1.00 50.42 H new ATOM 0 HD2 ARG A 98 -10.390 -28.028 -20.698 1.00 13.52 H new ATOM 0 HD3 ARG A 98 -11.227 -29.467 -20.152 1.00 13.52 H new ATOM 0 HE ARG A 98 -12.918 -27.509 -21.570 1.00 4.53 H new ATOM 0 HH11 ARG A 98 -10.881 -30.388 -21.755 1.00 11.41 H new ATOM 0 HH12 ARG A 98 -11.595 -30.935 -23.275 1.00 11.41 H new ATOM 0 HH21 ARG A 98 -13.831 -28.222 -23.522 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -13.257 -29.715 -24.271 1.00 3.20 H new ATOM 1532 N THR A 99 -8.010 -25.364 -19.532 1.00 13.53 N ATOM 1533 CA THR A 99 -7.103 -24.429 -20.185 1.00 41.21 C ATOM 1534 C THR A 99 -7.270 -24.468 -21.700 1.00 22.52 C ATOM 1535 O THR A 99 -6.783 -25.384 -22.364 1.00 11.42 O ATOM 1536 CB THR A 99 -5.634 -24.733 -19.834 1.00 13.12 C ATOM 1537 OG1 THR A 99 -5.512 -25.008 -18.434 1.00 34.41 O ATOM 1538 CG2 THR A 99 -4.736 -23.563 -20.206 1.00 24.23 C ATOM 0 H THR A 99 -7.656 -26.318 -19.466 1.00 13.53 H new ATOM 0 HA THR A 99 -7.358 -23.434 -19.819 1.00 41.21 H new ATOM 0 HB THR A 99 -5.320 -25.607 -20.404 1.00 13.12 H new ATOM 0 HG1 THR A 99 -4.723 -25.568 -18.278 1.00 34.41 H new ATOM 0 HG21 THR A 99 -3.704 -23.801 -19.949 1.00 24.23 H new ATOM 0 HG22 THR A 99 -4.809 -23.374 -21.277 1.00 24.23 H new ATOM 0 HG23 THR A 99 -5.051 -22.674 -19.659 1.00 24.23 H new ATOM 1546 N SER A 100 -7.960 -23.470 -22.241 1.00 12.32 N ATOM 1547 CA SER A 100 -8.194 -23.393 -23.678 1.00 42.51 C ATOM 1548 C SER A 100 -7.361 -22.279 -24.305 1.00 3.42 C ATOM 1549 O SER A 100 -7.709 -21.099 -24.245 1.00 30.20 O ATOM 1550 CB SER A 100 -9.678 -23.156 -23.963 1.00 33.51 C ATOM 1551 OG SER A 100 -10.012 -23.546 -25.284 1.00 14.21 O ATOM 0 H SER A 100 -8.367 -22.703 -21.706 1.00 12.32 H new ATOM 0 HA SER A 100 -7.893 -24.342 -24.121 1.00 42.51 H new ATOM 0 HB2 SER A 100 -10.283 -23.718 -23.251 1.00 33.51 H new ATOM 0 HB3 SER A 100 -9.915 -22.102 -23.821 1.00 33.51 H new ATOM 0 HG SER A 100 -10.945 -23.846 -25.311 1.00 14.21 H new ATOM 1557 N PRO A 101 -6.232 -22.660 -24.921 1.00 73.23 N ATOM 1558 CA PRO A 101 -5.325 -21.710 -25.572 1.00 14.21 C ATOM 1559 C PRO A 101 -5.928 -21.106 -26.836 1.00 22.10 C ATOM 1560 O PRO A 101 -6.101 -21.793 -27.843 1.00 40.11 O ATOM 1561 CB PRO A 101 -4.104 -22.565 -25.917 1.00 42.04 C ATOM 1562 CG PRO A 101 -4.632 -23.954 -26.027 1.00 11.43 C ATOM 1563 CD PRO A 101 -5.755 -24.049 -25.031 1.00 51.12 C ATOM 0 HA PRO A 101 -5.098 -20.858 -24.931 1.00 14.21 H new ATOM 0 HB2 PRO A 101 -3.645 -22.241 -26.851 1.00 42.04 H new ATOM 0 HB3 PRO A 101 -3.339 -22.492 -25.144 1.00 42.04 H new ATOM 0 HG2 PRO A 101 -4.988 -24.158 -27.037 1.00 11.43 H new ATOM 0 HG3 PRO A 101 -3.854 -24.686 -25.809 1.00 11.43 H new ATOM 0 HD2 PRO A 101 -6.543 -24.718 -25.376 1.00 51.12 H new ATOM 0 HD3 PRO A 101 -5.409 -24.432 -24.071 1.00 51.12 H new ATOM 1571 N LYS A 102 -6.245 -19.817 -26.777 1.00 73.33 N ATOM 1572 CA LYS A 102 -6.827 -19.119 -27.918 1.00 30.43 C ATOM 1573 C LYS A 102 -6.504 -17.629 -27.866 1.00 71.52 C ATOM 1574 O LYS A 102 -6.017 -17.126 -26.855 1.00 1.13 O ATOM 1575 CB LYS A 102 -8.344 -19.323 -27.947 1.00 5.31 C ATOM 1576 CG LYS A 102 -8.783 -20.502 -28.798 1.00 1.34 C ATOM 1577 CD LYS A 102 -10.065 -21.123 -28.270 1.00 21.45 C ATOM 1578 CE LYS A 102 -10.342 -22.469 -28.923 1.00 11.25 C ATOM 1579 NZ LYS A 102 -11.483 -23.174 -28.276 1.00 73.34 N ATOM 0 H LYS A 102 -6.109 -19.234 -25.951 1.00 73.33 H new ATOM 0 HA LYS A 102 -6.393 -19.535 -28.827 1.00 30.43 H new ATOM 0 HB2 LYS A 102 -8.702 -19.468 -26.928 1.00 5.31 H new ATOM 0 HB3 LYS A 102 -8.817 -18.417 -28.325 1.00 5.31 H new ATOM 0 HG2 LYS A 102 -8.933 -20.174 -29.826 1.00 1.34 H new ATOM 0 HG3 LYS A 102 -7.994 -21.254 -28.815 1.00 1.34 H new ATOM 0 HD2 LYS A 102 -9.991 -21.250 -27.190 1.00 21.45 H new ATOM 0 HD3 LYS A 102 -10.901 -20.448 -28.456 1.00 21.45 H new ATOM 0 HE2 LYS A 102 -10.559 -22.322 -29.981 1.00 11.25 H new ATOM 0 HE3 LYS A 102 -9.449 -23.092 -28.864 1.00 11.25 H new ATOM 0 HZ1 LYS A 102 -11.673 -24.063 -28.781 1.00 73.34 H new ATOM 0 HZ2 LYS A 102 -11.245 -23.382 -27.285 1.00 73.34 H new ATOM 0 HZ3 LYS A 102 -12.329 -22.569 -28.309 1.00 73.34 H new ATOM 1593 N GLU A 103 -6.780 -16.930 -28.963 1.00 34.33 N ATOM 1594 CA GLU A 103 -6.519 -15.498 -29.040 1.00 51.14 C ATOM 1595 C GLU A 103 -7.698 -14.763 -29.673 1.00 63.53 C ATOM 1596 O GLU A 103 -8.111 -15.077 -30.790 1.00 33.45 O ATOM 1597 CB GLU A 103 -5.246 -15.232 -29.847 1.00 31.13 C ATOM 1598 CG GLU A 103 -5.247 -15.885 -31.218 1.00 61.55 C ATOM 1599 CD GLU A 103 -4.047 -15.486 -32.056 1.00 14.14 C ATOM 1600 OE1 GLU A 103 -3.858 -14.272 -32.281 1.00 73.53 O ATOM 1601 OE2 GLU A 103 -3.297 -16.388 -32.485 1.00 15.31 O ATOM 0 H GLU A 103 -7.184 -17.332 -29.809 1.00 34.33 H new ATOM 0 HA GLU A 103 -6.383 -15.124 -28.025 1.00 51.14 H new ATOM 0 HB2 GLU A 103 -5.120 -14.156 -29.967 1.00 31.13 H new ATOM 0 HB3 GLU A 103 -4.386 -15.593 -29.283 1.00 31.13 H new ATOM 0 HG2 GLU A 103 -5.259 -16.969 -31.100 1.00 61.55 H new ATOM 0 HG3 GLU A 103 -6.161 -15.612 -31.746 1.00 61.55 H new ATOM 1608 N ARG A 104 -8.234 -13.785 -28.952 1.00 1.24 N ATOM 1609 CA ARG A 104 -9.366 -13.007 -29.441 1.00 4.33 C ATOM 1610 C ARG A 104 -9.598 -11.777 -28.567 1.00 72.33 C ATOM 1611 O ARG A 104 -9.062 -11.676 -27.463 1.00 63.44 O ATOM 1612 CB ARG A 104 -10.629 -13.869 -29.473 1.00 42.10 C ATOM 1613 CG ARG A 104 -11.548 -13.559 -30.643 1.00 62.33 C ATOM 1614 CD ARG A 104 -10.940 -14.007 -31.963 1.00 64.41 C ATOM 1615 NE ARG A 104 -11.157 -15.430 -32.211 1.00 30.12 N ATOM 1616 CZ ARG A 104 -10.381 -16.166 -32.999 1.00 52.22 C ATOM 1617 NH1 ARG A 104 -9.342 -15.616 -33.613 1.00 14.14 N ATOM 1618 NH2 ARG A 104 -10.644 -17.455 -33.175 1.00 3.42 N ATOM 0 H ARG A 104 -7.903 -13.512 -28.027 1.00 1.24 H new ATOM 0 HA ARG A 104 -9.136 -12.674 -30.453 1.00 4.33 H new ATOM 0 HB2 ARG A 104 -10.341 -14.919 -29.517 1.00 42.10 H new ATOM 0 HB3 ARG A 104 -11.179 -13.728 -28.543 1.00 42.10 H new ATOM 0 HG2 ARG A 104 -12.507 -14.056 -30.496 1.00 62.33 H new ATOM 0 HG3 ARG A 104 -11.746 -12.488 -30.677 1.00 62.33 H new ATOM 0 HD2 ARG A 104 -11.374 -13.427 -32.777 1.00 64.41 H new ATOM 0 HD3 ARG A 104 -9.870 -13.799 -31.958 1.00 64.41 H new ATOM 0 HE ARG A 104 -11.948 -15.884 -31.754 1.00 30.12 H new ATOM 0 HH11 ARG A 104 -9.137 -14.626 -33.481 1.00 14.14 H new ATOM 0 HH12 ARG A 104 -8.748 -16.183 -34.217 1.00 14.14 H new ATOM 0 HH21 ARG A 104 -11.443 -17.881 -32.705 1.00 3.42 H new ATOM 0 HH22 ARG A 104 -10.048 -18.019 -33.780 1.00 3.42 H new ATOM 1632 N HIS A 105 -10.401 -10.844 -29.069 1.00 61.24 N ATOM 1633 CA HIS A 105 -10.705 -9.621 -28.335 1.00 22.30 C ATOM 1634 C HIS A 105 -11.192 -9.941 -26.925 1.00 73.20 C ATOM 1635 O HIS A 105 -11.711 -11.028 -26.669 1.00 72.23 O ATOM 1636 CB HIS A 105 -11.761 -8.804 -29.079 1.00 0.50 C ATOM 1637 CG HIS A 105 -11.514 -8.705 -30.553 1.00 22.51 C ATOM 1638 ND1 HIS A 105 -11.100 -7.544 -31.171 1.00 72.41 N ATOM 1639 CD2 HIS A 105 -11.622 -9.633 -31.532 1.00 75.35 C ATOM 1640 CE1 HIS A 105 -10.967 -7.762 -32.467 1.00 42.33 C ATOM 1641 NE2 HIS A 105 -11.277 -9.022 -32.713 1.00 13.24 N ATOM 0 H HIS A 105 -10.853 -10.912 -29.981 1.00 61.24 H new ATOM 0 HA HIS A 105 -9.790 -9.034 -28.260 1.00 22.30 H new ATOM 0 HB2 HIS A 105 -12.740 -9.254 -28.913 1.00 0.50 H new ATOM 0 HB3 HIS A 105 -11.795 -7.800 -28.657 1.00 0.50 H new ATOM 0 HD1 HIS A 105 -10.924 -6.656 -30.701 1.00 72.41 H new ATOM 0 HD2 HIS A 105 -11.923 -10.663 -31.408 1.00 75.35 H new ATOM 0 HE1 HIS A 105 -10.657 -7.033 -33.201 1.00 42.33 H new ATOM 1649 N ILE A 106 -11.021 -8.989 -26.015 1.00 12.53 N ATOM 1650 CA ILE A 106 -11.444 -9.169 -24.632 1.00 31.54 C ATOM 1651 C ILE A 106 -12.103 -7.906 -24.089 1.00 34.34 C ATOM 1652 O ILE A 106 -11.672 -6.792 -24.386 1.00 4.05 O ATOM 1653 CB ILE A 106 -10.258 -9.546 -23.725 1.00 25.12 C ATOM 1654 CG1 ILE A 106 -8.955 -8.977 -24.290 1.00 3.40 C ATOM 1655 CG2 ILE A 106 -10.162 -11.057 -23.578 1.00 62.42 C ATOM 1656 CD1 ILE A 106 -7.822 -8.949 -23.287 1.00 73.04 C ATOM 0 H ILE A 106 -10.592 -8.084 -26.210 1.00 12.53 H new ATOM 0 HA ILE A 106 -12.168 -9.984 -24.628 1.00 31.54 H new ATOM 0 HB ILE A 106 -10.424 -9.115 -22.738 1.00 25.12 H new ATOM 0 HG12 ILE A 106 -8.652 -9.572 -25.152 1.00 3.40 H new ATOM 0 HG13 ILE A 106 -9.136 -7.964 -24.650 1.00 3.40 H new ATOM 0 HG21 ILE A 106 -9.319 -11.307 -22.934 1.00 62.42 H new ATOM 0 HG22 ILE A 106 -11.082 -11.439 -23.136 1.00 62.42 H new ATOM 0 HG23 ILE A 106 -10.016 -11.509 -24.559 1.00 62.42 H new ATOM 0 HD11 ILE A 106 -6.930 -8.534 -23.757 1.00 73.04 H new ATOM 0 HD12 ILE A 106 -8.105 -8.330 -22.435 1.00 73.04 H new ATOM 0 HD13 ILE A 106 -7.613 -9.963 -22.945 1.00 73.04 H new ATOM 1668 N ILE A 107 -13.150 -8.088 -23.291 1.00 31.14 N ATOM 1669 CA ILE A 107 -13.867 -6.963 -22.704 1.00 11.04 C ATOM 1670 C ILE A 107 -13.505 -6.787 -21.233 1.00 22.32 C ATOM 1671 O ILE A 107 -13.795 -7.650 -20.404 1.00 3.35 O ATOM 1672 CB ILE A 107 -15.392 -7.141 -22.827 1.00 41.34 C ATOM 1673 CG1 ILE A 107 -15.736 -7.899 -24.111 1.00 33.11 C ATOM 1674 CG2 ILE A 107 -16.087 -5.787 -22.803 1.00 24.43 C ATOM 1675 CD1 ILE A 107 -15.974 -9.377 -23.894 1.00 64.21 C ATOM 0 H ILE A 107 -13.520 -9.004 -23.036 1.00 31.14 H new ATOM 0 HA ILE A 107 -13.567 -6.074 -23.259 1.00 11.04 H new ATOM 0 HB ILE A 107 -15.745 -7.724 -21.976 1.00 41.34 H new ATOM 0 HG12 ILE A 107 -16.627 -7.457 -24.557 1.00 33.11 H new ATOM 0 HG13 ILE A 107 -14.925 -7.771 -24.827 1.00 33.11 H new ATOM 0 HG21 ILE A 107 -17.164 -5.929 -22.891 1.00 24.43 H new ATOM 0 HG22 ILE A 107 -15.863 -5.280 -21.864 1.00 24.43 H new ATOM 0 HG23 ILE A 107 -15.732 -5.181 -23.637 1.00 24.43 H new ATOM 0 HD11 ILE A 107 -16.213 -9.851 -24.846 1.00 64.21 H new ATOM 0 HD12 ILE A 107 -15.076 -9.833 -23.477 1.00 64.21 H new ATOM 0 HD13 ILE A 107 -16.805 -9.514 -23.202 1.00 64.21 H new ATOM 1687 N VAL A 108 -12.870 -5.663 -20.915 1.00 73.24 N ATOM 1688 CA VAL A 108 -12.471 -5.372 -19.544 1.00 4.02 C ATOM 1689 C VAL A 108 -12.979 -4.004 -19.102 1.00 30.42 C ATOM 1690 O VAL A 108 -13.265 -3.140 -19.930 1.00 34.13 O ATOM 1691 CB VAL A 108 -10.939 -5.414 -19.384 1.00 73.34 C ATOM 1692 CG1 VAL A 108 -10.485 -6.802 -18.959 1.00 63.22 C ATOM 1693 CG2 VAL A 108 -10.258 -4.994 -20.678 1.00 4.13 C ATOM 0 H VAL A 108 -12.621 -4.939 -21.589 1.00 73.24 H new ATOM 0 HA VAL A 108 -12.916 -6.143 -18.915 1.00 4.02 H new ATOM 0 HB VAL A 108 -10.652 -4.709 -18.603 1.00 73.34 H new ATOM 0 HG11 VAL A 108 -9.400 -6.813 -18.851 1.00 63.22 H new ATOM 0 HG12 VAL A 108 -10.947 -7.060 -18.006 1.00 63.22 H new ATOM 0 HG13 VAL A 108 -10.782 -7.529 -19.715 1.00 63.22 H new ATOM 0 HG21 VAL A 108 -9.176 -5.029 -20.548 1.00 4.13 H new ATOM 0 HG22 VAL A 108 -10.549 -5.673 -21.479 1.00 4.13 H new ATOM 0 HG23 VAL A 108 -10.560 -3.979 -20.935 1.00 4.13 H new ATOM 1703 N ALA A 109 -13.088 -3.815 -17.791 1.00 32.11 N ATOM 1704 CA ALA A 109 -13.560 -2.551 -17.238 1.00 64.42 C ATOM 1705 C ALA A 109 -12.414 -1.767 -16.607 1.00 33.34 C ATOM 1706 O ALA A 109 -11.982 -2.068 -15.494 1.00 22.14 O ATOM 1707 CB ALA A 109 -14.659 -2.800 -16.216 1.00 4.22 C ATOM 0 H ALA A 109 -12.856 -4.521 -17.092 1.00 32.11 H new ATOM 0 HA ALA A 109 -13.967 -1.954 -18.054 1.00 64.42 H new ATOM 0 HB1 ALA A 109 -15.002 -1.848 -15.811 1.00 4.22 H new ATOM 0 HB2 ALA A 109 -15.493 -3.312 -16.696 1.00 4.22 H new ATOM 0 HB3 ALA A 109 -14.270 -3.419 -15.407 1.00 4.22 H new ATOM 1713 N CYS A 110 -11.926 -0.761 -17.324 1.00 51.00 N ATOM 1714 CA CYS A 110 -10.830 0.066 -16.835 1.00 3.21 C ATOM 1715 C CYS A 110 -11.357 1.355 -16.210 1.00 72.25 C ATOM 1716 O CYS A 110 -12.450 1.813 -16.540 1.00 53.34 O ATOM 1717 CB CYS A 110 -9.865 0.397 -17.975 1.00 63.12 C ATOM 1718 SG CYS A 110 -10.665 0.557 -19.604 1.00 20.22 S ATOM 0 H CYS A 110 -12.273 -0.499 -18.247 1.00 51.00 H new ATOM 0 HA CYS A 110 -10.297 -0.497 -16.069 1.00 3.21 H new ATOM 0 HB2 CYS A 110 -9.350 1.329 -17.742 1.00 63.12 H new ATOM 0 HB3 CYS A 110 -9.104 -0.382 -18.031 1.00 63.12 H new ATOM 1723 N GLU A 111 -10.572 1.933 -15.307 1.00 64.02 N ATOM 1724 CA GLU A 111 -10.960 3.168 -14.637 1.00 12.15 C ATOM 1725 C GLU A 111 -9.782 3.768 -13.875 1.00 65.22 C ATOM 1726 O GLU A 111 -8.691 3.199 -13.849 1.00 31.20 O ATOM 1727 CB GLU A 111 -12.123 2.909 -13.676 1.00 50.04 C ATOM 1728 CG GLU A 111 -12.859 4.171 -13.257 1.00 70.45 C ATOM 1729 CD GLU A 111 -14.317 3.914 -12.930 1.00 32.20 C ATOM 1730 OE1 GLU A 111 -14.590 3.325 -11.863 1.00 11.54 O ATOM 1731 OE2 GLU A 111 -15.185 4.300 -13.740 1.00 41.53 O ATOM 0 H GLU A 111 -9.664 1.566 -15.023 1.00 64.02 H new ATOM 0 HA GLU A 111 -11.278 3.880 -15.399 1.00 12.15 H new ATOM 0 HB2 GLU A 111 -12.829 2.227 -14.149 1.00 50.04 H new ATOM 0 HB3 GLU A 111 -11.743 2.408 -12.786 1.00 50.04 H new ATOM 0 HG2 GLU A 111 -12.366 4.603 -12.386 1.00 70.45 H new ATOM 0 HG3 GLU A 111 -12.794 4.908 -14.058 1.00 70.45 H new ATOM 1738 N GLY A 112 -10.010 4.923 -13.257 1.00 22.54 N ATOM 1739 CA GLY A 112 -8.959 5.581 -12.504 1.00 5.33 C ATOM 1740 C GLY A 112 -8.101 6.481 -13.371 1.00 50.31 C ATOM 1741 O GLY A 112 -8.593 7.094 -14.318 1.00 52.05 O ATOM 0 H GLY A 112 -10.904 5.414 -13.265 1.00 22.54 H new ATOM 0 HA2 GLY A 112 -9.405 6.171 -11.703 1.00 5.33 H new ATOM 0 HA3 GLY A 112 -8.328 4.828 -12.032 1.00 5.33 H new ATOM 1745 N SER A 113 -6.815 6.563 -13.046 1.00 42.02 N ATOM 1746 CA SER A 113 -5.888 7.399 -13.799 1.00 43.54 C ATOM 1747 C SER A 113 -4.450 6.928 -13.605 1.00 2.23 C ATOM 1748 O SER A 113 -3.928 6.888 -12.490 1.00 73.51 O ATOM 1749 CB SER A 113 -6.020 8.861 -13.368 1.00 13.14 C ATOM 1750 OG SER A 113 -5.109 9.686 -14.072 1.00 65.24 O ATOM 0 H SER A 113 -6.391 6.060 -12.266 1.00 42.02 H new ATOM 0 HA SER A 113 -6.140 7.315 -14.856 1.00 43.54 H new ATOM 0 HB2 SER A 113 -7.039 9.205 -13.546 1.00 13.14 H new ATOM 0 HB3 SER A 113 -5.838 8.945 -12.297 1.00 13.14 H new ATOM 0 HG SER A 113 -5.215 10.615 -13.779 1.00 65.24 H new ATOM 1756 N PRO A 114 -3.792 6.563 -14.715 1.00 72.02 N ATOM 1757 CA PRO A 114 -4.403 6.607 -16.047 1.00 62.32 C ATOM 1758 C PRO A 114 -5.487 5.549 -16.223 1.00 63.31 C ATOM 1759 O PRO A 114 -5.731 4.742 -15.326 1.00 73.41 O ATOM 1760 CB PRO A 114 -3.226 6.328 -16.986 1.00 53.20 C ATOM 1761 CG PRO A 114 -2.256 5.558 -16.159 1.00 61.30 C ATOM 1762 CD PRO A 114 -2.402 6.079 -14.756 1.00 72.41 C ATOM 0 HA PRO A 114 -4.901 7.558 -16.236 1.00 62.32 H new ATOM 0 HB2 PRO A 114 -3.543 5.757 -17.859 1.00 53.20 H new ATOM 0 HB3 PRO A 114 -2.785 7.254 -17.354 1.00 53.20 H new ATOM 0 HG2 PRO A 114 -2.468 4.490 -16.202 1.00 61.30 H new ATOM 0 HG3 PRO A 114 -1.238 5.696 -16.522 1.00 61.30 H new ATOM 0 HD2 PRO A 114 -2.227 5.297 -14.017 1.00 72.41 H new ATOM 0 HD3 PRO A 114 -1.692 6.879 -14.548 1.00 72.41 H new ATOM 1770 N TYR A 115 -6.133 5.558 -17.384 1.00 22.23 N ATOM 1771 CA TYR A 115 -7.192 4.600 -17.676 1.00 73.31 C ATOM 1772 C TYR A 115 -6.617 3.207 -17.915 1.00 42.24 C ATOM 1773 O TYR A 115 -6.039 2.934 -18.967 1.00 65.22 O ATOM 1774 CB TYR A 115 -7.993 5.050 -18.899 1.00 44.14 C ATOM 1775 CG TYR A 115 -9.413 5.456 -18.578 1.00 31.12 C ATOM 1776 CD1 TYR A 115 -9.750 5.942 -17.320 1.00 63.42 C ATOM 1777 CD2 TYR A 115 -10.419 5.353 -19.531 1.00 22.12 C ATOM 1778 CE1 TYR A 115 -11.046 6.313 -17.021 1.00 54.04 C ATOM 1779 CE2 TYR A 115 -11.718 5.723 -19.241 1.00 42.34 C ATOM 1780 CZ TYR A 115 -12.027 6.203 -17.985 1.00 63.54 C ATOM 1781 OH TYR A 115 -13.320 6.571 -17.693 1.00 3.22 O ATOM 0 H TYR A 115 -5.942 6.218 -18.138 1.00 22.23 H new ATOM 0 HA TYR A 115 -7.855 4.556 -16.812 1.00 73.31 H new ATOM 0 HB2 TYR A 115 -7.481 5.890 -19.369 1.00 44.14 H new ATOM 0 HB3 TYR A 115 -8.012 4.240 -19.628 1.00 44.14 H new ATOM 0 HD1 TYR A 115 -8.985 6.031 -16.563 1.00 63.42 H new ATOM 0 HD2 TYR A 115 -10.181 4.977 -20.515 1.00 22.12 H new ATOM 0 HE1 TYR A 115 -11.290 6.687 -16.038 1.00 54.04 H new ATOM 0 HE2 TYR A 115 -12.488 5.637 -19.994 1.00 42.34 H new ATOM 0 HH TYR A 115 -13.886 6.432 -18.481 1.00 3.22 H new ATOM 1791 N VAL A 116 -6.780 2.329 -16.931 1.00 14.22 N ATOM 1792 CA VAL A 116 -6.280 0.964 -17.033 1.00 64.31 C ATOM 1793 C VAL A 116 -7.339 -0.044 -16.601 1.00 1.11 C ATOM 1794 O VAL A 116 -8.238 0.261 -15.817 1.00 21.32 O ATOM 1795 CB VAL A 116 -5.016 0.764 -16.175 1.00 71.42 C ATOM 1796 CG1 VAL A 116 -4.164 2.023 -16.178 1.00 2.54 C ATOM 1797 CG2 VAL A 116 -5.394 0.368 -14.756 1.00 4.03 C ATOM 0 H VAL A 116 -7.255 2.539 -16.053 1.00 14.22 H new ATOM 0 HA VAL A 116 -6.030 0.796 -18.081 1.00 64.31 H new ATOM 0 HB VAL A 116 -4.427 -0.044 -16.608 1.00 71.42 H new ATOM 0 HG11 VAL A 116 -3.276 1.863 -15.567 1.00 2.54 H new ATOM 0 HG12 VAL A 116 -3.864 2.257 -17.199 1.00 2.54 H new ATOM 0 HG13 VAL A 116 -4.740 2.853 -15.770 1.00 2.54 H new ATOM 0 HG21 VAL A 116 -4.490 0.231 -14.163 1.00 4.03 H new ATOM 0 HG22 VAL A 116 -6.005 1.153 -14.310 1.00 4.03 H new ATOM 0 HG23 VAL A 116 -5.959 -0.564 -14.777 1.00 4.03 H new ATOM 1807 N PRO A 117 -7.232 -1.275 -17.123 1.00 14.10 N ATOM 1808 CA PRO A 117 -8.172 -2.354 -16.804 1.00 53.24 C ATOM 1809 C PRO A 117 -8.027 -2.844 -15.368 1.00 24.21 C ATOM 1810 O PRO A 117 -6.997 -3.407 -14.995 1.00 13.03 O ATOM 1811 CB PRO A 117 -7.788 -3.461 -17.789 1.00 30.10 C ATOM 1812 CG PRO A 117 -6.357 -3.202 -18.111 1.00 41.54 C ATOM 1813 CD PRO A 117 -6.186 -1.708 -18.064 1.00 71.31 C ATOM 0 HA PRO A 117 -9.209 -2.030 -16.889 1.00 53.24 H new ATOM 0 HB2 PRO A 117 -7.922 -4.448 -17.347 1.00 30.10 H new ATOM 0 HB3 PRO A 117 -8.408 -3.426 -18.685 1.00 30.10 H new ATOM 0 HG2 PRO A 117 -5.700 -3.693 -17.393 1.00 41.54 H new ATOM 0 HG3 PRO A 117 -6.101 -3.593 -19.096 1.00 41.54 H new ATOM 0 HD2 PRO A 117 -5.192 -1.428 -17.716 1.00 71.31 H new ATOM 0 HD3 PRO A 117 -6.318 -1.257 -19.048 1.00 71.31 H new ATOM 1821 N VAL A 118 -9.064 -2.627 -14.565 1.00 61.43 N ATOM 1822 CA VAL A 118 -9.052 -3.049 -13.170 1.00 2.14 C ATOM 1823 C VAL A 118 -10.020 -4.203 -12.936 1.00 21.31 C ATOM 1824 O VAL A 118 -10.213 -4.646 -11.803 1.00 61.32 O ATOM 1825 CB VAL A 118 -9.420 -1.886 -12.229 1.00 21.21 C ATOM 1826 CG1 VAL A 118 -8.451 -0.727 -12.408 1.00 31.21 C ATOM 1827 CG2 VAL A 118 -10.853 -1.437 -12.473 1.00 44.12 C ATOM 0 H VAL A 118 -9.923 -2.161 -14.857 1.00 61.43 H new ATOM 0 HA VAL A 118 -8.037 -3.380 -12.948 1.00 2.14 H new ATOM 0 HB VAL A 118 -9.343 -2.236 -11.200 1.00 21.21 H new ATOM 0 HG11 VAL A 118 -8.727 0.085 -11.735 1.00 31.21 H new ATOM 0 HG12 VAL A 118 -7.439 -1.060 -12.179 1.00 31.21 H new ATOM 0 HG13 VAL A 118 -8.492 -0.374 -13.439 1.00 31.21 H new ATOM 0 HG21 VAL A 118 -11.096 -0.615 -11.800 1.00 44.12 H new ATOM 0 HG22 VAL A 118 -10.959 -1.104 -13.505 1.00 44.12 H new ATOM 0 HG23 VAL A 118 -11.532 -2.270 -12.289 1.00 44.12 H new ATOM 1837 N HIS A 119 -10.627 -4.687 -14.015 1.00 63.40 N ATOM 1838 CA HIS A 119 -11.575 -5.792 -13.928 1.00 21.21 C ATOM 1839 C HIS A 119 -11.709 -6.501 -15.272 1.00 45.25 C ATOM 1840 O HIS A 119 -11.725 -5.861 -16.324 1.00 42.31 O ATOM 1841 CB HIS A 119 -12.942 -5.284 -13.468 1.00 64.00 C ATOM 1842 CG HIS A 119 -14.092 -6.018 -14.085 1.00 32.45 C ATOM 1843 ND1 HIS A 119 -15.049 -6.677 -13.342 1.00 33.21 N ATOM 1844 CD2 HIS A 119 -14.437 -6.194 -15.381 1.00 75.24 C ATOM 1845 CE1 HIS A 119 -15.932 -7.228 -14.155 1.00 55.04 C ATOM 1846 NE2 HIS A 119 -15.584 -6.949 -15.399 1.00 33.33 N ATOM 0 H HIS A 119 -10.479 -4.331 -14.960 1.00 63.40 H new ATOM 0 HA HIS A 119 -11.196 -6.506 -13.197 1.00 21.21 H new ATOM 0 HB2 HIS A 119 -13.006 -5.370 -12.383 1.00 64.00 H new ATOM 0 HB3 HIS A 119 -13.027 -4.224 -13.709 1.00 64.00 H new ATOM 0 HD2 HIS A 119 -13.909 -5.812 -16.242 1.00 75.24 H new ATOM 0 HE1 HIS A 119 -16.792 -7.808 -13.854 1.00 55.04 H new ATOM 0 HE2 HIS A 119 -16.086 -7.246 -16.236 1.00 33.33 H new ATOM 1854 N PHE A 120 -11.803 -7.826 -15.231 1.00 11.31 N ATOM 1855 CA PHE A 120 -11.933 -8.621 -16.446 1.00 35.30 C ATOM 1856 C PHE A 120 -13.335 -9.215 -16.560 1.00 4.23 C ATOM 1857 O PHE A 120 -13.856 -9.790 -15.604 1.00 54.42 O ATOM 1858 CB PHE A 120 -10.890 -9.741 -16.462 1.00 54.34 C ATOM 1859 CG PHE A 120 -10.426 -10.107 -17.843 1.00 32.30 C ATOM 1860 CD1 PHE A 120 -11.267 -10.780 -18.715 1.00 51.10 C ATOM 1861 CD2 PHE A 120 -9.149 -9.779 -18.269 1.00 14.10 C ATOM 1862 CE1 PHE A 120 -10.842 -11.119 -19.986 1.00 30.14 C ATOM 1863 CE2 PHE A 120 -8.719 -10.115 -19.539 1.00 21.13 C ATOM 1864 CZ PHE A 120 -9.567 -10.785 -20.398 1.00 61.34 C ATOM 0 H PHE A 120 -11.792 -8.372 -14.369 1.00 11.31 H new ATOM 0 HA PHE A 120 -11.765 -7.965 -17.300 1.00 35.30 H new ATOM 0 HB2 PHE A 120 -10.030 -9.434 -15.867 1.00 54.34 H new ATOM 0 HB3 PHE A 120 -11.310 -10.625 -15.982 1.00 54.34 H new ATOM 0 HD1 PHE A 120 -12.266 -11.043 -18.398 1.00 51.10 H new ATOM 0 HD2 PHE A 120 -8.482 -9.255 -17.601 1.00 14.10 H new ATOM 0 HE1 PHE A 120 -11.506 -11.644 -20.656 1.00 30.14 H new ATOM 0 HE2 PHE A 120 -7.721 -9.854 -19.859 1.00 21.13 H new ATOM 0 HZ PHE A 120 -9.234 -11.048 -21.391 1.00 61.34 H new ATOM 1874 N ASP A 121 -13.938 -9.070 -17.734 1.00 60.53 N ATOM 1875 CA ASP A 121 -15.278 -9.592 -17.975 1.00 34.24 C ATOM 1876 C ASP A 121 -15.217 -10.941 -18.685 1.00 14.12 C ATOM 1877 O ASP A 121 -15.493 -11.981 -18.088 1.00 1.05 O ATOM 1878 CB ASP A 121 -16.093 -8.600 -18.806 1.00 74.41 C ATOM 1879 CG ASP A 121 -17.561 -8.975 -18.880 1.00 4.34 C ATOM 1880 OD1 ASP A 121 -17.987 -9.857 -18.105 1.00 41.42 O ATOM 1881 OD2 ASP A 121 -18.283 -8.386 -19.712 1.00 25.50 O ATOM 0 H ASP A 121 -13.520 -8.595 -18.534 1.00 60.53 H new ATOM 0 HA ASP A 121 -15.765 -9.732 -17.010 1.00 34.24 H new ATOM 0 HB2 ASP A 121 -15.997 -7.604 -18.374 1.00 74.41 H new ATOM 0 HB3 ASP A 121 -15.682 -8.551 -19.814 1.00 74.41 H new ATOM 1886 N ALA A 122 -14.856 -10.915 -19.963 1.00 44.24 N ATOM 1887 CA ALA A 122 -14.758 -12.135 -20.755 1.00 24.14 C ATOM 1888 C ALA A 122 -14.106 -11.862 -22.106 1.00 24.42 C ATOM 1889 O ALA A 122 -13.899 -10.710 -22.484 1.00 43.55 O ATOM 1890 CB ALA A 122 -16.135 -12.752 -20.946 1.00 52.11 C ATOM 0 H ALA A 122 -14.626 -10.062 -20.473 1.00 44.24 H new ATOM 0 HA ALA A 122 -14.128 -12.841 -20.213 1.00 24.14 H new ATOM 0 HB1 ALA A 122 -16.047 -13.662 -21.539 1.00 52.11 H new ATOM 0 HB2 ALA A 122 -16.564 -12.993 -19.973 1.00 52.11 H new ATOM 0 HB3 ALA A 122 -16.783 -12.044 -21.463 1.00 52.11 H new ATOM 1896 N SER A 123 -13.783 -12.930 -22.828 1.00 72.44 N ATOM 1897 CA SER A 123 -13.150 -12.806 -24.136 1.00 50.21 C ATOM 1898 C SER A 123 -14.178 -12.955 -25.254 1.00 23.32 C ATOM 1899 O SER A 123 -15.021 -13.851 -25.221 1.00 74.23 O ATOM 1900 CB SER A 123 -12.050 -13.857 -24.296 1.00 3.34 C ATOM 1901 OG SER A 123 -12.499 -15.133 -23.876 1.00 31.41 O ATOM 0 H SER A 123 -13.949 -13.891 -22.529 1.00 72.44 H new ATOM 0 HA SER A 123 -12.706 -11.813 -24.204 1.00 50.21 H new ATOM 0 HB2 SER A 123 -11.736 -13.904 -25.339 1.00 3.34 H new ATOM 0 HB3 SER A 123 -11.176 -13.565 -23.713 1.00 3.34 H new ATOM 0 HG SER A 123 -11.778 -15.787 -23.990 1.00 31.41 H new ATOM 1907 N VAL A 124 -14.100 -12.070 -26.243 1.00 32.53 N ATOM 1908 CA VAL A 124 -15.022 -12.103 -27.372 1.00 21.21 C ATOM 1909 C VAL A 124 -14.629 -13.186 -28.371 1.00 11.03 C ATOM 1910 O VAL A 124 -13.633 -13.883 -28.184 1.00 64.34 O ATOM 1911 CB VAL A 124 -15.070 -10.745 -28.097 1.00 13.05 C ATOM 1912 CG1 VAL A 124 -16.432 -10.531 -28.741 1.00 23.35 C ATOM 1913 CG2 VAL A 124 -14.745 -9.615 -27.132 1.00 4.14 C ATOM 0 H VAL A 124 -13.408 -11.322 -26.285 1.00 32.53 H new ATOM 0 HA VAL A 124 -16.009 -12.326 -26.968 1.00 21.21 H new ATOM 0 HB VAL A 124 -14.318 -10.747 -28.886 1.00 13.05 H new ATOM 0 HG11 VAL A 124 -16.447 -9.566 -29.248 1.00 23.35 H new ATOM 0 HG12 VAL A 124 -16.621 -11.324 -29.464 1.00 23.35 H new ATOM 0 HG13 VAL A 124 -17.205 -10.549 -27.972 1.00 23.35 H new ATOM 0 HG21 VAL A 124 -14.783 -8.663 -27.661 1.00 4.14 H new ATOM 0 HG22 VAL A 124 -15.473 -9.609 -26.320 1.00 4.14 H new ATOM 0 HG23 VAL A 124 -13.746 -9.762 -26.722 1.00 4.14 H new ATOM 1923 N GLU A 125 -15.419 -13.320 -29.431 1.00 74.12 N ATOM 1924 CA GLU A 125 -15.153 -14.319 -30.460 1.00 15.12 C ATOM 1925 C GLU A 125 -14.893 -13.655 -31.809 1.00 15.32 C ATOM 1926 O GLU A 125 -14.173 -14.193 -32.649 1.00 70.34 O ATOM 1927 CB GLU A 125 -16.330 -15.290 -30.575 1.00 53.04 C ATOM 1928 CG GLU A 125 -16.220 -16.492 -29.653 1.00 33.22 C ATOM 1929 CD GLU A 125 -17.498 -17.308 -29.603 1.00 25.11 C ATOM 1930 OE1 GLU A 125 -17.813 -17.980 -30.607 1.00 43.11 O ATOM 1931 OE2 GLU A 125 -18.182 -17.274 -28.559 1.00 23.54 O ATOM 0 H GLU A 125 -16.248 -12.750 -29.600 1.00 74.12 H new ATOM 0 HA GLU A 125 -14.261 -14.874 -30.170 1.00 15.12 H new ATOM 0 HB2 GLU A 125 -17.254 -14.756 -30.353 1.00 53.04 H new ATOM 0 HB3 GLU A 125 -16.403 -15.638 -31.605 1.00 53.04 H new ATOM 0 HG2 GLU A 125 -15.400 -17.128 -29.987 1.00 33.22 H new ATOM 0 HG3 GLU A 125 -15.971 -16.152 -28.648 1.00 33.22 H new