USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 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 49 LYS NZ :NH3+ 173:sc= -1.11 (180deg=-1.33!) USER MOD Set 1.2: A 53 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 57 HIS : no HD1:sc= -2.6 K(o=-3.7,f=-4.4!) USER MOD Single : A 13 MET CE :methyl 152:sc= -0.19 (180deg=-1.24) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0536 (180deg=-0.61) USER MOD Single : A 21 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.25) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0138 (180deg=-0.412) USER MOD Single : A 26 SER OG : rot 180:sc= -0.264 USER MOD Single : A 30 HIS : no HE2:sc= -7.18! C(o=-7.2!,f=-9.8!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -22:sc= 0.661 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.691 K(o=-0.69,f=-1.8!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1.9!) USER MOD Single : A 59 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 88:sc= 0.758 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 87:sc= 0.373 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 59.822 4.780 13.491 1.00 1.00 N ATOM 2 CA MET A 13 58.582 5.174 12.765 1.00 1.00 C ATOM 3 C MET A 13 58.942 5.628 11.354 1.00 1.00 C ATOM 4 O MET A 13 58.213 5.361 10.404 1.00 1.00 O ATOM 5 CB MET A 13 57.893 6.313 13.520 1.00 1.00 C ATOM 6 CG MET A 13 57.353 5.792 14.853 1.00 1.00 C ATOM 7 SD MET A 13 56.626 7.163 15.786 1.00 1.00 S ATOM 8 CE MET A 13 55.248 7.507 14.661 1.00 1.00 C ATOM 0 HA MET A 13 57.905 4.322 12.704 1.00 1.00 H new ATOM 0 HB2 MET A 13 58.598 7.126 13.694 1.00 1.00 H new ATOM 0 HB3 MET A 13 57.079 6.720 12.920 1.00 1.00 H new ATOM 0 HG2 MET A 13 56.604 5.020 14.677 1.00 1.00 H new ATOM 0 HG3 MET A 13 58.156 5.332 15.428 1.00 1.00 H new ATOM 0 HE1 MET A 13 54.418 7.934 15.223 1.00 1.00 H new ATOM 0 HE2 MET A 13 55.570 8.213 13.896 1.00 1.00 H new ATOM 0 HE3 MET A 13 54.926 6.580 14.186 1.00 1.00 H new ATOM 18 N ARG A 14 60.076 6.303 11.226 1.00 1.00 N ATOM 19 CA ARG A 14 60.535 6.791 9.943 1.00 1.00 C ATOM 20 C ARG A 14 60.312 5.758 8.838 1.00 1.00 C ATOM 21 O ARG A 14 60.184 6.108 7.670 1.00 1.00 O ATOM 22 CB ARG A 14 62.017 7.127 10.049 1.00 1.00 C ATOM 23 CG ARG A 14 62.422 7.958 8.847 1.00 1.00 C ATOM 24 CD ARG A 14 63.877 8.387 8.997 1.00 1.00 C ATOM 25 NE ARG A 14 64.755 7.223 8.967 1.00 1.00 N ATOM 26 CZ ARG A 14 66.062 7.341 9.178 1.00 1.00 C ATOM 27 NH1 ARG A 14 66.581 8.515 9.416 1.00 1.00 N ATOM 28 NH2 ARG A 14 66.826 6.284 9.145 1.00 1.00 N ATOM 0 H ARG A 14 60.696 6.524 12.005 1.00 1.00 H new ATOM 0 HA ARG A 14 59.962 7.681 9.681 1.00 1.00 H new ATOM 0 HB2 ARG A 14 62.214 7.676 10.970 1.00 1.00 H new ATOM 0 HB3 ARG A 14 62.608 6.212 10.091 1.00 1.00 H new ATOM 0 HG2 ARG A 14 62.294 7.380 7.932 1.00 1.00 H new ATOM 0 HG3 ARG A 14 61.779 8.834 8.763 1.00 1.00 H new ATOM 0 HD2 ARG A 14 64.145 9.074 8.194 1.00 1.00 H new ATOM 0 HD3 ARG A 14 64.009 8.926 9.935 1.00 1.00 H new ATOM 0 HE ARG A 14 64.359 6.302 8.781 1.00 1.00 H new ATOM 0 HH11 ARG A 14 65.984 9.341 9.440 1.00 1.00 H new ATOM 0 HH12 ARG A 14 67.584 8.606 9.578 1.00 1.00 H new ATOM 0 HH21 ARG A 14 66.420 5.367 8.957 1.00 1.00 H new ATOM 0 HH22 ARG A 14 67.829 6.374 9.307 1.00 1.00 H new ATOM 42 N ILE A 15 60.274 4.488 9.218 1.00 1.00 N ATOM 43 CA ILE A 15 60.071 3.403 8.253 1.00 1.00 C ATOM 44 C ILE A 15 58.933 3.767 7.297 1.00 1.00 C ATOM 45 O ILE A 15 59.088 3.710 6.077 1.00 1.00 O ATOM 46 CB ILE A 15 59.749 2.068 8.998 1.00 1.00 C ATOM 47 CG1 ILE A 15 59.792 2.296 10.522 1.00 1.00 C ATOM 48 CG2 ILE A 15 60.781 0.980 8.635 1.00 1.00 C ATOM 49 CD1 ILE A 15 61.237 2.581 10.978 1.00 1.00 C ATOM 0 H ILE A 15 60.380 4.179 10.184 1.00 1.00 H new ATOM 0 HA ILE A 15 60.986 3.264 7.677 1.00 1.00 H new ATOM 0 HB ILE A 15 58.755 1.741 8.694 1.00 1.00 H new ATOM 0 HG12 ILE A 15 59.147 3.133 10.790 1.00 1.00 H new ATOM 0 HG13 ILE A 15 59.406 1.418 11.039 1.00 1.00 H new ATOM 0 HG21 ILE A 15 60.539 0.058 9.164 1.00 1.00 H new ATOM 0 HG22 ILE A 15 60.756 0.799 7.560 1.00 1.00 H new ATOM 0 HG23 ILE A 15 61.778 1.313 8.924 1.00 1.00 H new ATOM 0 HD11 ILE A 15 61.254 2.740 12.056 1.00 1.00 H new ATOM 0 HD12 ILE A 15 61.872 1.731 10.727 1.00 1.00 H new ATOM 0 HD13 ILE A 15 61.608 3.473 10.474 1.00 1.00 H new ATOM 61 N TYR A 16 57.803 4.159 7.871 1.00 1.00 N ATOM 62 CA TYR A 16 56.643 4.557 7.082 1.00 1.00 C ATOM 63 C TYR A 16 57.053 5.707 6.172 1.00 1.00 C ATOM 64 O TYR A 16 56.751 5.712 4.980 1.00 1.00 O ATOM 65 CB TYR A 16 55.478 4.947 8.050 1.00 1.00 C ATOM 66 CG TYR A 16 55.237 6.457 8.077 1.00 1.00 C ATOM 67 CD1 TYR A 16 55.948 7.277 8.974 1.00 1.00 C ATOM 68 CD2 TYR A 16 54.294 7.041 7.207 1.00 1.00 C ATOM 69 CE1 TYR A 16 55.728 8.651 8.996 1.00 1.00 C ATOM 70 CE2 TYR A 16 54.080 8.422 7.235 1.00 1.00 C ATOM 71 CZ TYR A 16 54.794 9.228 8.128 1.00 1.00 C ATOM 72 OH TYR A 16 54.578 10.591 8.149 1.00 1.00 O ATOM 0 H TYR A 16 57.664 4.210 8.880 1.00 1.00 H new ATOM 0 HA TYR A 16 56.286 3.740 6.454 1.00 1.00 H new ATOM 0 HB2 TYR A 16 54.564 4.439 7.741 1.00 1.00 H new ATOM 0 HB3 TYR A 16 55.711 4.599 9.056 1.00 1.00 H new ATOM 0 HD1 TYR A 16 56.668 6.837 9.648 1.00 1.00 H new ATOM 0 HD2 TYR A 16 53.737 6.422 6.519 1.00 1.00 H new ATOM 0 HE1 TYR A 16 56.280 9.274 9.685 1.00 1.00 H new ATOM 0 HE2 TYR A 16 53.361 8.869 6.565 1.00 1.00 H new ATOM 0 HH TYR A 16 53.899 10.825 7.482 1.00 1.00 H new ATOM 82 N LYS A 17 57.766 6.661 6.744 1.00 1.00 N ATOM 83 CA LYS A 17 58.248 7.790 5.974 1.00 1.00 C ATOM 84 C LYS A 17 59.241 7.295 4.935 1.00 1.00 C ATOM 85 O LYS A 17 59.354 7.862 3.857 1.00 1.00 O ATOM 86 CB LYS A 17 58.919 8.819 6.891 1.00 1.00 C ATOM 87 CG LYS A 17 59.300 10.055 6.073 1.00 1.00 C ATOM 88 CD LYS A 17 59.940 11.101 6.988 1.00 1.00 C ATOM 89 CE LYS A 17 60.323 12.331 6.166 1.00 1.00 C ATOM 90 NZ LYS A 17 59.098 12.924 5.559 1.00 1.00 N ATOM 0 H LYS A 17 58.022 6.676 7.731 1.00 1.00 H new ATOM 0 HA LYS A 17 57.405 8.272 5.478 1.00 1.00 H new ATOM 0 HB2 LYS A 17 58.243 9.098 7.699 1.00 1.00 H new ATOM 0 HB3 LYS A 17 59.807 8.387 7.353 1.00 1.00 H new ATOM 0 HG2 LYS A 17 59.994 9.778 5.280 1.00 1.00 H new ATOM 0 HG3 LYS A 17 58.415 10.471 5.591 1.00 1.00 H new ATOM 0 HD2 LYS A 17 59.245 11.381 7.779 1.00 1.00 H new ATOM 0 HD3 LYS A 17 60.823 10.685 7.472 1.00 1.00 H new ATOM 0 HE2 LYS A 17 60.819 13.065 6.800 1.00 1.00 H new ATOM 0 HE3 LYS A 17 61.031 12.054 5.385 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 59.290 13.907 5.280 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 58.825 12.373 4.720 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 58.323 12.906 6.253 1.00 1.00 H new ATOM 104 N GLY A 18 59.956 6.224 5.271 1.00 1.00 N ATOM 105 CA GLY A 18 60.930 5.641 4.354 1.00 1.00 C ATOM 106 C GLY A 18 60.234 4.924 3.208 1.00 1.00 C ATOM 107 O GLY A 18 60.768 4.830 2.105 1.00 1.00 O ATOM 0 H GLY A 18 59.879 5.744 6.168 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.578 6.424 3.959 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.569 4.941 4.892 1.00 1.00 H new ATOM 111 N VAL A 19 59.047 4.395 3.488 1.00 1.00 N ATOM 112 CA VAL A 19 58.299 3.660 2.484 1.00 1.00 C ATOM 113 C VAL A 19 57.914 4.589 1.340 1.00 1.00 C ATOM 114 O VAL A 19 57.586 4.142 0.242 1.00 1.00 O ATOM 115 CB VAL A 19 57.057 3.005 3.118 1.00 1.00 C ATOM 116 CG1 VAL A 19 56.051 2.582 2.023 1.00 1.00 C ATOM 117 CG2 VAL A 19 57.487 1.758 3.904 1.00 1.00 C ATOM 0 H VAL A 19 58.588 4.463 4.396 1.00 1.00 H new ATOM 0 HA VAL A 19 58.925 2.865 2.079 1.00 1.00 H new ATOM 0 HB VAL A 19 56.581 3.727 3.782 1.00 1.00 H new ATOM 0 HG11 VAL A 19 55.180 2.121 2.488 1.00 1.00 H new ATOM 0 HG12 VAL A 19 55.739 3.460 1.457 1.00 1.00 H new ATOM 0 HG13 VAL A 19 56.524 1.867 1.351 1.00 1.00 H new ATOM 0 HG21 VAL A 19 56.611 1.292 4.354 1.00 1.00 H new ATOM 0 HG22 VAL A 19 57.968 1.050 3.229 1.00 1.00 H new ATOM 0 HG23 VAL A 19 58.188 2.046 4.688 1.00 1.00 H new ATOM 127 N ILE A 20 57.972 5.884 1.610 1.00 1.00 N ATOM 128 CA ILE A 20 57.641 6.886 0.604 1.00 1.00 C ATOM 129 C ILE A 20 58.465 6.608 -0.642 1.00 1.00 C ATOM 130 O ILE A 20 58.005 6.812 -1.763 1.00 1.00 O ATOM 131 CB ILE A 20 58.005 8.286 1.154 1.00 1.00 C ATOM 132 CG1 ILE A 20 56.935 8.754 2.173 1.00 1.00 C ATOM 133 CG2 ILE A 20 58.133 9.329 0.020 1.00 1.00 C ATOM 134 CD1 ILE A 20 55.538 8.860 1.520 1.00 1.00 C ATOM 0 H ILE A 20 58.244 6.267 2.515 1.00 1.00 H new ATOM 0 HA ILE A 20 56.578 6.850 0.366 1.00 1.00 H new ATOM 0 HB ILE A 20 58.972 8.203 1.649 1.00 1.00 H new ATOM 0 HG12 ILE A 20 56.895 8.054 3.008 1.00 1.00 H new ATOM 0 HG13 ILE A 20 57.221 9.723 2.583 1.00 1.00 H new ATOM 0 HG21 ILE A 20 58.389 10.299 0.445 1.00 1.00 H new ATOM 0 HG22 ILE A 20 58.915 9.019 -0.673 1.00 1.00 H new ATOM 0 HG23 ILE A 20 57.185 9.405 -0.513 1.00 1.00 H new ATOM 0 HD11 ILE A 20 54.813 9.191 2.264 1.00 1.00 H new ATOM 0 HD12 ILE A 20 55.572 9.579 0.702 1.00 1.00 H new ATOM 0 HD13 ILE A 20 55.242 7.885 1.133 1.00 1.00 H new ATOM 146 N GLN A 21 59.684 6.131 -0.433 1.00 1.00 N ATOM 147 CA GLN A 21 60.565 5.815 -1.547 1.00 1.00 C ATOM 148 C GLN A 21 59.799 4.980 -2.563 1.00 1.00 C ATOM 149 O GLN A 21 59.940 5.170 -3.770 1.00 1.00 O ATOM 150 CB GLN A 21 61.777 5.028 -1.046 1.00 1.00 C ATOM 151 CG GLN A 21 62.610 5.899 -0.102 1.00 1.00 C ATOM 152 CD GLN A 21 63.204 7.082 -0.861 1.00 1.00 C ATOM 153 OE1 GLN A 21 63.903 6.894 -1.857 1.00 1.00 O ATOM 154 NE2 GLN A 21 62.966 8.296 -0.447 1.00 1.00 N ATOM 0 H GLN A 21 60.082 5.956 0.489 1.00 1.00 H new ATOM 0 HA GLN A 21 60.910 6.739 -2.012 1.00 1.00 H new ATOM 0 HB2 GLN A 21 61.448 4.127 -0.528 1.00 1.00 H new ATOM 0 HB3 GLN A 21 62.387 4.706 -1.890 1.00 1.00 H new ATOM 0 HG2 GLN A 21 61.987 6.259 0.717 1.00 1.00 H new ATOM 0 HG3 GLN A 21 63.409 5.305 0.342 1.00 1.00 H new ATOM 0 HE21 GLN A 21 62.387 8.449 0.378 1.00 1.00 H new ATOM 0 HE22 GLN A 21 63.359 9.092 -0.949 1.00 1.00 H new ATOM 163 N ALA A 22 58.959 4.079 -2.059 1.00 1.00 N ATOM 164 CA ALA A 22 58.142 3.245 -2.930 1.00 1.00 C ATOM 165 C ALA A 22 57.136 4.120 -3.672 1.00 1.00 C ATOM 166 O ALA A 22 56.904 3.945 -4.869 1.00 1.00 O ATOM 167 CB ALA A 22 57.392 2.190 -2.108 1.00 1.00 C ATOM 0 H ALA A 22 58.828 3.910 -1.062 1.00 1.00 H new ATOM 0 HA ALA A 22 58.791 2.739 -3.645 1.00 1.00 H new ATOM 0 HB1 ALA A 22 56.786 1.574 -2.773 1.00 1.00 H new ATOM 0 HB2 ALA A 22 58.110 1.559 -1.584 1.00 1.00 H new ATOM 0 HB3 ALA A 22 56.746 2.685 -1.383 1.00 1.00 H new ATOM 173 N ILE A 23 56.543 5.061 -2.940 1.00 1.00 N ATOM 174 CA ILE A 23 55.564 5.978 -3.515 1.00 1.00 C ATOM 175 C ILE A 23 56.216 6.906 -4.540 1.00 1.00 C ATOM 176 O ILE A 23 55.662 7.144 -5.614 1.00 1.00 O ATOM 177 CB ILE A 23 54.893 6.806 -2.401 1.00 1.00 C ATOM 178 CG1 ILE A 23 53.917 5.923 -1.605 1.00 1.00 C ATOM 179 CG2 ILE A 23 54.126 7.990 -3.008 1.00 1.00 C ATOM 180 CD1 ILE A 23 54.639 4.694 -1.047 1.00 1.00 C ATOM 0 H ILE A 23 56.724 5.208 -1.947 1.00 1.00 H new ATOM 0 HA ILE A 23 54.805 5.386 -4.027 1.00 1.00 H new ATOM 0 HB ILE A 23 55.669 7.184 -1.735 1.00 1.00 H new ATOM 0 HG12 ILE A 23 53.481 6.498 -0.788 1.00 1.00 H new ATOM 0 HG13 ILE A 23 53.095 5.608 -2.248 1.00 1.00 H new ATOM 0 HG21 ILE A 23 53.657 8.567 -2.211 1.00 1.00 H new ATOM 0 HG22 ILE A 23 54.818 8.628 -3.558 1.00 1.00 H new ATOM 0 HG23 ILE A 23 53.358 7.617 -3.686 1.00 1.00 H new ATOM 0 HD11 ILE A 23 53.933 4.081 -0.487 1.00 1.00 H new ATOM 0 HD12 ILE A 23 55.053 4.111 -1.869 1.00 1.00 H new ATOM 0 HD13 ILE A 23 55.445 5.014 -0.387 1.00 1.00 H new ATOM 192 N GLN A 24 57.385 7.443 -4.195 1.00 1.00 N ATOM 193 CA GLN A 24 58.091 8.364 -5.083 1.00 1.00 C ATOM 194 C GLN A 24 59.073 7.616 -5.984 1.00 1.00 C ATOM 195 O GLN A 24 59.727 8.224 -6.829 1.00 1.00 O ATOM 196 CB GLN A 24 58.845 9.414 -4.249 1.00 1.00 C ATOM 197 CG GLN A 24 59.265 10.592 -5.141 1.00 1.00 C ATOM 198 CD GLN A 24 59.846 11.716 -4.290 1.00 1.00 C ATOM 199 OE1 GLN A 24 60.867 11.533 -3.627 1.00 1.00 O ATOM 200 NE2 GLN A 24 59.253 12.877 -4.271 1.00 1.00 N ATOM 0 H GLN A 24 57.861 7.258 -3.312 1.00 1.00 H new ATOM 0 HA GLN A 24 57.356 8.859 -5.717 1.00 1.00 H new ATOM 0 HB2 GLN A 24 58.210 9.770 -3.438 1.00 1.00 H new ATOM 0 HB3 GLN A 24 59.725 8.963 -3.791 1.00 1.00 H new ATOM 0 HG2 GLN A 24 60.003 10.260 -5.871 1.00 1.00 H new ATOM 0 HG3 GLN A 24 58.405 10.958 -5.702 1.00 1.00 H new ATOM 0 HE21 GLN A 24 58.407 13.027 -4.821 1.00 1.00 H new ATOM 0 HE22 GLN A 24 59.635 13.636 -3.706 1.00 1.00 H new ATOM 209 N LYS A 25 59.190 6.298 -5.798 1.00 1.00 N ATOM 210 CA LYS A 25 60.124 5.509 -6.609 1.00 1.00 C ATOM 211 C LYS A 25 60.140 5.992 -8.061 1.00 1.00 C ATOM 212 O LYS A 25 61.207 6.233 -8.626 1.00 1.00 O ATOM 213 CB LYS A 25 59.736 4.024 -6.574 1.00 1.00 C ATOM 214 CG LYS A 25 60.739 3.201 -7.390 1.00 1.00 C ATOM 215 CD LYS A 25 60.369 1.721 -7.300 1.00 1.00 C ATOM 216 CE LYS A 25 61.339 0.895 -8.145 1.00 1.00 C ATOM 217 NZ LYS A 25 62.714 1.010 -7.581 1.00 1.00 N ATOM 0 H LYS A 25 58.662 5.763 -5.108 1.00 1.00 H new ATOM 0 HA LYS A 25 61.120 5.638 -6.186 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.715 3.669 -5.544 1.00 1.00 H new ATOM 0 HB3 LYS A 25 58.732 3.892 -6.977 1.00 1.00 H new ATOM 0 HG2 LYS A 25 60.733 3.527 -8.430 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.749 3.359 -7.012 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.403 1.390 -6.262 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.348 1.570 -7.649 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.027 -0.149 -8.159 1.00 1.00 H new ATOM 0 HE3 LYS A 25 61.328 1.245 -9.177 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 63.305 0.236 -7.946 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.128 1.922 -7.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 62.670 0.952 -6.544 1.00 1.00 H new ATOM 231 N SER A 26 58.959 6.140 -8.654 1.00 1.00 N ATOM 232 CA SER A 26 58.865 6.606 -10.036 1.00 1.00 C ATOM 233 C SER A 26 57.428 6.537 -10.531 1.00 1.00 C ATOM 234 O SER A 26 56.731 7.547 -10.628 1.00 1.00 O ATOM 235 CB SER A 26 59.761 5.755 -10.945 1.00 1.00 C ATOM 236 OG SER A 26 59.215 5.744 -12.259 1.00 1.00 O ATOM 0 H SER A 26 58.063 5.947 -8.207 1.00 1.00 H new ATOM 0 HA SER A 26 59.199 7.643 -10.067 1.00 1.00 H new ATOM 0 HB2 SER A 26 60.773 6.160 -10.962 1.00 1.00 H new ATOM 0 HB3 SER A 26 59.831 4.738 -10.558 1.00 1.00 H new ATOM 0 HG SER A 26 59.784 5.203 -12.845 1.00 1.00 H new ATOM 242 N ASP A 27 57.013 5.330 -10.850 1.00 1.00 N ATOM 243 CA ASP A 27 55.671 5.075 -11.349 1.00 1.00 C ATOM 244 C ASP A 27 55.272 3.656 -10.991 1.00 1.00 C ATOM 245 O ASP A 27 54.605 2.964 -11.759 1.00 1.00 O ATOM 246 CB ASP A 27 55.619 5.269 -12.865 1.00 1.00 C ATOM 247 CG ASP A 27 54.184 5.130 -13.361 1.00 1.00 C ATOM 248 OD1 ASP A 27 53.350 5.910 -12.930 1.00 1.00 O ATOM 249 OD2 ASP A 27 53.939 4.248 -14.167 1.00 1.00 O ATOM 0 H ASP A 27 57.594 4.495 -10.772 1.00 1.00 H new ATOM 0 HA ASP A 27 54.976 5.779 -10.891 1.00 1.00 H new ATOM 0 HB2 ASP A 27 56.009 6.252 -13.127 1.00 1.00 H new ATOM 0 HB3 ASP A 27 56.255 4.532 -13.356 1.00 1.00 H new ATOM 254 N GLU A 28 55.689 3.234 -9.800 1.00 1.00 N ATOM 255 CA GLU A 28 55.382 1.899 -9.302 1.00 1.00 C ATOM 256 C GLU A 28 54.913 1.981 -7.860 1.00 1.00 C ATOM 257 O GLU A 28 55.245 1.123 -7.042 1.00 1.00 O ATOM 258 CB GLU A 28 56.609 0.987 -9.394 1.00 1.00 C ATOM 259 CG GLU A 28 56.848 0.580 -10.852 1.00 1.00 C ATOM 260 CD GLU A 28 58.112 -0.267 -10.956 1.00 1.00 C ATOM 261 OE1 GLU A 28 58.741 -0.488 -9.935 1.00 1.00 O ATOM 262 OE2 GLU A 28 58.430 -0.685 -12.057 1.00 1.00 O ATOM 0 H GLU A 28 56.244 3.802 -9.160 1.00 1.00 H new ATOM 0 HA GLU A 28 54.589 1.477 -9.920 1.00 1.00 H new ATOM 0 HB2 GLU A 28 57.486 1.502 -9.003 1.00 1.00 H new ATOM 0 HB3 GLU A 28 56.460 0.099 -8.779 1.00 1.00 H new ATOM 0 HG2 GLU A 28 55.992 0.018 -11.227 1.00 1.00 H new ATOM 0 HG3 GLU A 28 56.944 1.469 -11.475 1.00 1.00 H new ATOM 269 N GLY A 29 54.129 3.015 -7.548 1.00 1.00 N ATOM 270 CA GLY A 29 53.606 3.197 -6.199 1.00 1.00 C ATOM 271 C GLY A 29 52.143 2.767 -6.152 1.00 1.00 C ATOM 272 O GLY A 29 51.526 2.741 -5.090 1.00 1.00 O ATOM 0 H GLY A 29 53.845 3.736 -8.212 1.00 1.00 H new ATOM 0 HA2 GLY A 29 54.190 2.611 -5.490 1.00 1.00 H new ATOM 0 HA3 GLY A 29 53.698 4.241 -5.901 1.00 1.00 H new ATOM 276 N HIS A 30 51.587 2.435 -7.319 1.00 1.00 N ATOM 277 CA HIS A 30 50.200 2.001 -7.380 1.00 1.00 C ATOM 278 C HIS A 30 50.067 0.564 -6.851 1.00 1.00 C ATOM 279 O HIS A 30 49.072 0.237 -6.204 1.00 1.00 O ATOM 280 CB HIS A 30 49.627 2.128 -8.822 1.00 1.00 C ATOM 281 CG HIS A 30 50.722 2.452 -9.805 1.00 1.00 C ATOM 282 ND1 HIS A 30 51.204 1.520 -10.711 1.00 1.00 N ATOM 283 CD2 HIS A 30 51.432 3.604 -10.039 1.00 1.00 C ATOM 284 CE1 HIS A 30 52.161 2.122 -11.441 1.00 1.00 C ATOM 285 NE2 HIS A 30 52.340 3.393 -11.072 1.00 1.00 N ATOM 0 H HIS A 30 52.070 2.459 -8.217 1.00 1.00 H new ATOM 0 HA HIS A 30 49.610 2.658 -6.741 1.00 1.00 H new ATOM 0 HB2 HIS A 30 49.139 1.196 -9.108 1.00 1.00 H new ATOM 0 HB3 HIS A 30 48.866 2.908 -8.849 1.00 1.00 H new ATOM 0 HD1 HIS A 30 50.890 0.554 -10.807 1.00 1.00 H new ATOM 0 HD2 HIS A 30 51.305 4.533 -9.503 1.00 1.00 H new ATOM 0 HE1 HIS A 30 52.717 1.636 -12.229 1.00 1.00 H new ATOM 293 N PRO A 31 51.043 -0.296 -7.077 1.00 1.00 N ATOM 294 CA PRO A 31 50.996 -1.691 -6.572 1.00 1.00 C ATOM 295 C PRO A 31 51.593 -1.767 -5.164 1.00 1.00 C ATOM 296 O PRO A 31 51.705 -2.840 -4.572 1.00 1.00 O ATOM 297 CB PRO A 31 51.835 -2.484 -7.588 1.00 1.00 C ATOM 298 CG PRO A 31 52.753 -1.477 -8.251 1.00 1.00 C ATOM 299 CD PRO A 31 52.285 -0.055 -7.826 1.00 1.00 C ATOM 0 HA PRO A 31 49.983 -2.083 -6.487 1.00 1.00 H new ATOM 0 HB2 PRO A 31 52.409 -3.268 -7.093 1.00 1.00 H new ATOM 0 HB3 PRO A 31 51.196 -2.973 -8.324 1.00 1.00 H new ATOM 0 HG2 PRO A 31 53.787 -1.645 -7.949 1.00 1.00 H new ATOM 0 HG3 PRO A 31 52.717 -1.583 -9.335 1.00 1.00 H new ATOM 0 HD2 PRO A 31 53.033 0.443 -7.209 1.00 1.00 H new ATOM 0 HD3 PRO A 31 52.111 0.583 -8.692 1.00 1.00 H new ATOM 307 N PHE A 32 51.974 -0.595 -4.655 1.00 1.00 N ATOM 308 CA PHE A 32 52.565 -0.456 -3.326 1.00 1.00 C ATOM 309 C PHE A 32 51.805 -1.246 -2.261 1.00 1.00 C ATOM 310 O PHE A 32 52.239 -1.321 -1.111 1.00 1.00 O ATOM 311 CB PHE A 32 52.617 1.032 -2.940 1.00 1.00 C ATOM 312 CG PHE A 32 51.238 1.528 -2.529 1.00 1.00 C ATOM 313 CD1 PHE A 32 50.094 1.136 -3.237 1.00 1.00 C ATOM 314 CD2 PHE A 32 51.102 2.388 -1.430 1.00 1.00 C ATOM 315 CE1 PHE A 32 48.836 1.579 -2.853 1.00 1.00 C ATOM 316 CE2 PHE A 32 49.832 2.834 -1.044 1.00 1.00 C ATOM 317 CZ PHE A 32 48.698 2.429 -1.755 1.00 1.00 C ATOM 0 H PHE A 32 51.880 0.288 -5.156 1.00 1.00 H new ATOM 0 HA PHE A 32 53.573 -0.869 -3.370 1.00 1.00 H new ATOM 0 HB2 PHE A 32 53.320 1.176 -2.120 1.00 1.00 H new ATOM 0 HB3 PHE A 32 52.984 1.619 -3.782 1.00 1.00 H new ATOM 0 HD1 PHE A 32 50.192 0.482 -4.091 1.00 1.00 H new ATOM 0 HD2 PHE A 32 51.976 2.706 -0.882 1.00 1.00 H new ATOM 0 HE1 PHE A 32 47.962 1.265 -3.405 1.00 1.00 H new ATOM 0 HE2 PHE A 32 49.728 3.493 -0.195 1.00 1.00 H new ATOM 0 HZ PHE A 32 47.719 2.773 -1.455 1.00 1.00 H new ATOM 327 N ARG A 33 50.674 -1.826 -2.631 1.00 1.00 N ATOM 328 CA ARG A 33 49.899 -2.589 -1.693 1.00 1.00 C ATOM 329 C ARG A 33 50.618 -3.877 -1.326 1.00 1.00 C ATOM 330 O ARG A 33 50.598 -4.293 -0.172 1.00 1.00 O ATOM 331 CB ARG A 33 48.525 -2.883 -2.282 1.00 1.00 C ATOM 332 CG ARG A 33 47.698 -3.675 -1.260 1.00 1.00 C ATOM 333 CD ARG A 33 46.369 -4.063 -1.889 1.00 1.00 C ATOM 334 NE ARG A 33 45.525 -2.888 -2.062 1.00 1.00 N ATOM 335 CZ ARG A 33 44.378 -2.953 -2.731 1.00 1.00 C ATOM 336 NH1 ARG A 33 43.983 -4.086 -3.243 1.00 1.00 N ATOM 337 NH2 ARG A 33 43.645 -1.883 -2.873 1.00 1.00 N ATOM 0 H ARG A 33 50.282 -1.778 -3.572 1.00 1.00 H new ATOM 0 HA ARG A 33 49.772 -2.007 -0.780 1.00 1.00 H new ATOM 0 HB2 ARG A 33 48.018 -1.952 -2.535 1.00 1.00 H new ATOM 0 HB3 ARG A 33 48.626 -3.453 -3.206 1.00 1.00 H new ATOM 0 HG2 ARG A 33 48.241 -4.567 -0.947 1.00 1.00 H new ATOM 0 HG3 ARG A 33 47.530 -3.075 -0.366 1.00 1.00 H new ATOM 0 HD2 ARG A 33 46.542 -4.539 -2.854 1.00 1.00 H new ATOM 0 HD3 ARG A 33 45.861 -4.794 -1.259 1.00 1.00 H new ATOM 0 HE ARG A 33 45.820 -1.997 -1.662 1.00 1.00 H new ATOM 0 HH11 ARG A 33 44.554 -4.923 -3.130 1.00 1.00 H new ATOM 0 HH12 ARG A 33 43.103 -4.134 -3.756 1.00 1.00 H new ATOM 0 HH21 ARG A 33 43.952 -0.997 -2.471 1.00 1.00 H new ATOM 0 HH22 ARG A 33 42.765 -1.932 -3.386 1.00 1.00 H new ATOM 351 N ALA A 34 51.238 -4.516 -2.307 1.00 1.00 N ATOM 352 CA ALA A 34 51.941 -5.766 -2.036 1.00 1.00 C ATOM 353 C ALA A 34 53.150 -5.515 -1.131 1.00 1.00 C ATOM 354 O ALA A 34 53.545 -6.381 -0.348 1.00 1.00 O ATOM 355 CB ALA A 34 52.366 -6.477 -3.334 1.00 1.00 C ATOM 0 H ALA A 34 51.271 -4.201 -3.277 1.00 1.00 H new ATOM 0 HA ALA A 34 51.248 -6.429 -1.517 1.00 1.00 H new ATOM 0 HB1 ALA A 34 52.886 -7.403 -3.088 1.00 1.00 H new ATOM 0 HB2 ALA A 34 51.482 -6.704 -3.930 1.00 1.00 H new ATOM 0 HB3 ALA A 34 53.031 -5.828 -3.904 1.00 1.00 H new ATOM 361 N TYR A 35 53.725 -4.323 -1.234 1.00 1.00 N ATOM 362 CA TYR A 35 54.887 -3.966 -0.416 1.00 1.00 C ATOM 363 C TYR A 35 54.570 -4.174 1.072 1.00 1.00 C ATOM 364 O TYR A 35 55.473 -4.285 1.898 1.00 1.00 O ATOM 365 CB TYR A 35 55.298 -2.485 -0.659 1.00 1.00 C ATOM 366 CG TYR A 35 56.761 -2.273 -0.272 1.00 1.00 C ATOM 367 CD1 TYR A 35 57.119 -2.104 1.083 1.00 1.00 C ATOM 368 CD2 TYR A 35 57.772 -2.240 -1.264 1.00 1.00 C ATOM 369 CE1 TYR A 35 58.460 -1.910 1.436 1.00 1.00 C ATOM 370 CE2 TYR A 35 59.109 -2.044 -0.894 1.00 1.00 C ATOM 371 CZ TYR A 35 59.451 -1.880 0.451 1.00 1.00 C ATOM 372 OH TYR A 35 60.771 -1.688 0.807 1.00 1.00 O ATOM 0 H TYR A 35 53.412 -3.589 -1.870 1.00 1.00 H new ATOM 0 HA TYR A 35 55.717 -4.612 -0.703 1.00 1.00 H new ATOM 0 HB2 TYR A 35 55.150 -2.226 -1.708 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.660 -1.822 -0.074 1.00 1.00 H new ATOM 0 HD1 TYR A 35 56.357 -2.124 1.849 1.00 1.00 H new ATOM 0 HD2 TYR A 35 57.512 -2.366 -2.305 1.00 1.00 H new ATOM 0 HE1 TYR A 35 58.730 -1.783 2.474 1.00 1.00 H new ATOM 0 HE2 TYR A 35 59.879 -2.020 -1.651 1.00 1.00 H new ATOM 0 HH TYR A 35 61.331 -1.695 0.003 1.00 1.00 H new ATOM 382 N LEU A 36 53.283 -4.202 1.406 1.00 1.00 N ATOM 383 CA LEU A 36 52.861 -4.368 2.800 1.00 1.00 C ATOM 384 C LEU A 36 53.424 -5.659 3.406 1.00 1.00 C ATOM 385 O LEU A 36 53.855 -5.665 4.554 1.00 1.00 O ATOM 386 CB LEU A 36 51.326 -4.387 2.880 1.00 1.00 C ATOM 387 CG LEU A 36 50.769 -2.944 2.939 1.00 1.00 C ATOM 388 CD1 LEU A 36 51.466 -2.022 1.920 1.00 1.00 C ATOM 389 CD2 LEU A 36 49.273 -2.977 2.648 1.00 1.00 C ATOM 0 H LEU A 36 52.517 -4.113 0.739 1.00 1.00 H new ATOM 0 HA LEU A 36 53.251 -3.526 3.372 1.00 1.00 H new ATOM 0 HB2 LEU A 36 50.917 -4.906 2.013 1.00 1.00 H new ATOM 0 HB3 LEU A 36 51.009 -4.942 3.763 1.00 1.00 H new ATOM 0 HG LEU A 36 50.958 -2.546 3.936 1.00 1.00 H new ATOM 0 HD11 LEU A 36 51.048 -1.018 1.992 1.00 1.00 H new ATOM 0 HD12 LEU A 36 52.534 -1.986 2.133 1.00 1.00 H new ATOM 0 HD13 LEU A 36 51.310 -2.409 0.913 1.00 1.00 H new ATOM 0 HD21 LEU A 36 48.872 -1.964 2.688 1.00 1.00 H new ATOM 0 HD22 LEU A 36 49.104 -3.395 1.656 1.00 1.00 H new ATOM 0 HD23 LEU A 36 48.771 -3.595 3.392 1.00 1.00 H new ATOM 401 N GLU A 37 53.410 -6.744 2.647 1.00 1.00 N ATOM 402 CA GLU A 37 53.914 -8.015 3.139 1.00 1.00 C ATOM 403 C GLU A 37 55.409 -7.930 3.449 1.00 1.00 C ATOM 404 O GLU A 37 55.888 -8.515 4.421 1.00 1.00 O ATOM 405 CB GLU A 37 53.674 -9.076 2.065 1.00 1.00 C ATOM 406 CG GLU A 37 54.066 -10.457 2.583 1.00 1.00 C ATOM 407 CD GLU A 37 53.067 -10.917 3.638 1.00 1.00 C ATOM 408 OE1 GLU A 37 52.065 -10.243 3.811 1.00 1.00 O ATOM 409 OE2 GLU A 37 53.320 -11.934 4.263 1.00 1.00 O ATOM 0 H GLU A 37 53.056 -6.769 1.691 1.00 1.00 H new ATOM 0 HA GLU A 37 53.393 -8.275 4.061 1.00 1.00 H new ATOM 0 HB2 GLU A 37 52.624 -9.075 1.772 1.00 1.00 H new ATOM 0 HB3 GLU A 37 54.254 -8.837 1.173 1.00 1.00 H new ATOM 0 HG2 GLU A 37 54.093 -11.170 1.759 1.00 1.00 H new ATOM 0 HG3 GLU A 37 55.069 -10.424 3.009 1.00 1.00 H new ATOM 416 N SER A 38 56.138 -7.219 2.600 1.00 1.00 N ATOM 417 CA SER A 38 57.584 -7.078 2.762 1.00 1.00 C ATOM 418 C SER A 38 57.948 -6.245 3.994 1.00 1.00 C ATOM 419 O SER A 38 59.076 -6.303 4.472 1.00 1.00 O ATOM 420 CB SER A 38 58.172 -6.422 1.512 1.00 1.00 C ATOM 421 OG SER A 38 57.593 -5.136 1.345 1.00 1.00 O ATOM 0 H SER A 38 55.755 -6.730 1.791 1.00 1.00 H new ATOM 0 HA SER A 38 58.001 -8.075 2.903 1.00 1.00 H new ATOM 0 HB2 SER A 38 59.255 -6.337 1.606 1.00 1.00 H new ATOM 0 HB3 SER A 38 57.975 -7.039 0.636 1.00 1.00 H new ATOM 0 HG SER A 38 56.737 -5.098 1.821 1.00 1.00 H new ATOM 427 N GLU A 39 56.994 -5.471 4.501 1.00 1.00 N ATOM 428 CA GLU A 39 57.243 -4.628 5.666 1.00 1.00 C ATOM 429 C GLU A 39 57.622 -5.477 6.867 1.00 1.00 C ATOM 430 O GLU A 39 58.109 -4.962 7.874 1.00 1.00 O ATOM 431 CB GLU A 39 55.990 -3.800 6.001 1.00 1.00 C ATOM 432 CG GLU A 39 55.762 -2.718 4.938 1.00 1.00 C ATOM 433 CD GLU A 39 56.893 -1.697 4.972 1.00 1.00 C ATOM 434 OE1 GLU A 39 57.553 -1.604 5.993 1.00 1.00 O ATOM 435 OE2 GLU A 39 57.086 -1.025 3.972 1.00 1.00 O ATOM 0 H GLU A 39 56.047 -5.410 4.127 1.00 1.00 H new ATOM 0 HA GLU A 39 58.068 -3.956 5.430 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.119 -4.453 6.056 1.00 1.00 H new ATOM 0 HB3 GLU A 39 56.104 -3.337 6.981 1.00 1.00 H new ATOM 0 HG2 GLU A 39 55.705 -3.175 3.950 1.00 1.00 H new ATOM 0 HG3 GLU A 39 54.808 -2.221 5.114 1.00 1.00 H new ATOM 442 N VAL A 40 57.369 -6.780 6.777 1.00 1.00 N ATOM 443 CA VAL A 40 57.667 -7.669 7.893 1.00 1.00 C ATOM 444 C VAL A 40 59.157 -8.025 7.972 1.00 1.00 C ATOM 445 O VAL A 40 59.772 -7.885 9.029 1.00 1.00 O ATOM 446 CB VAL A 40 56.822 -8.955 7.811 1.00 1.00 C ATOM 447 CG1 VAL A 40 57.285 -9.935 8.895 1.00 1.00 C ATOM 448 CG2 VAL A 40 55.333 -8.627 8.027 1.00 1.00 C ATOM 0 H VAL A 40 56.966 -7.236 5.959 1.00 1.00 H new ATOM 0 HA VAL A 40 57.408 -7.128 8.803 1.00 1.00 H new ATOM 0 HB VAL A 40 56.950 -9.402 6.825 1.00 1.00 H new ATOM 0 HG11 VAL A 40 56.689 -10.846 8.840 1.00 1.00 H new ATOM 0 HG12 VAL A 40 58.336 -10.179 8.740 1.00 1.00 H new ATOM 0 HG13 VAL A 40 57.159 -9.478 9.876 1.00 1.00 H new ATOM 0 HG21 VAL A 40 54.746 -9.544 7.967 1.00 1.00 H new ATOM 0 HG22 VAL A 40 55.199 -8.174 9.009 1.00 1.00 H new ATOM 0 HG23 VAL A 40 54.999 -7.931 7.258 1.00 1.00 H new ATOM 458 N ALA A 41 59.739 -8.486 6.866 1.00 1.00 N ATOM 459 CA ALA A 41 61.159 -8.852 6.874 1.00 1.00 C ATOM 460 C ALA A 41 62.018 -7.592 6.865 1.00 1.00 C ATOM 461 O ALA A 41 63.229 -7.639 7.083 1.00 1.00 O ATOM 462 CB ALA A 41 61.503 -9.732 5.660 1.00 1.00 C ATOM 0 H ALA A 41 59.265 -8.614 5.972 1.00 1.00 H new ATOM 0 HA ALA A 41 61.364 -9.422 7.780 1.00 1.00 H new ATOM 0 HB1 ALA A 41 62.561 -9.991 5.687 1.00 1.00 H new ATOM 0 HB2 ALA A 41 60.905 -10.643 5.690 1.00 1.00 H new ATOM 0 HB3 ALA A 41 61.286 -9.186 4.742 1.00 1.00 H new ATOM 468 N ILE A 42 61.362 -6.471 6.602 1.00 1.00 N ATOM 469 CA ILE A 42 62.022 -5.169 6.544 1.00 1.00 C ATOM 470 C ILE A 42 61.904 -4.429 7.871 1.00 1.00 C ATOM 471 O ILE A 42 62.821 -3.713 8.271 1.00 1.00 O ATOM 472 CB ILE A 42 61.361 -4.355 5.442 1.00 1.00 C ATOM 473 CG1 ILE A 42 61.661 -5.039 4.104 1.00 1.00 C ATOM 474 CG2 ILE A 42 61.898 -2.912 5.449 1.00 1.00 C ATOM 475 CD1 ILE A 42 60.871 -4.379 2.964 1.00 1.00 C ATOM 0 H ILE A 42 60.359 -6.435 6.423 1.00 1.00 H new ATOM 0 HA ILE A 42 63.083 -5.312 6.339 1.00 1.00 H new ATOM 0 HB ILE A 42 60.284 -4.306 5.601 1.00 1.00 H new ATOM 0 HG12 ILE A 42 62.729 -4.982 3.893 1.00 1.00 H new ATOM 0 HG13 ILE A 42 61.404 -6.097 4.166 1.00 1.00 H new ATOM 0 HG21 ILE A 42 61.416 -2.341 4.655 1.00 1.00 H new ATOM 0 HG22 ILE A 42 61.683 -2.448 6.412 1.00 1.00 H new ATOM 0 HG23 ILE A 42 62.976 -2.924 5.285 1.00 1.00 H new ATOM 0 HD11 ILE A 42 61.100 -4.881 2.024 1.00 1.00 H new ATOM 0 HD12 ILE A 42 59.803 -4.459 3.167 1.00 1.00 H new ATOM 0 HD13 ILE A 42 61.148 -3.327 2.890 1.00 1.00 H new ATOM 487 N SER A 43 60.748 -4.603 8.509 1.00 1.00 N ATOM 488 CA SER A 43 60.412 -3.967 9.794 1.00 1.00 C ATOM 489 C SER A 43 61.628 -3.380 10.524 1.00 1.00 C ATOM 490 O SER A 43 61.568 -2.265 11.042 1.00 1.00 O ATOM 491 CB SER A 43 59.738 -4.998 10.697 1.00 1.00 C ATOM 492 OG SER A 43 59.599 -4.457 12.004 1.00 1.00 O ATOM 0 H SER A 43 60.003 -5.198 8.147 1.00 1.00 H new ATOM 0 HA SER A 43 59.746 -3.134 9.571 1.00 1.00 H new ATOM 0 HB2 SER A 43 58.761 -5.266 10.296 1.00 1.00 H new ATOM 0 HB3 SER A 43 60.331 -5.912 10.730 1.00 1.00 H new ATOM 0 HG SER A 43 59.165 -5.115 12.586 1.00 1.00 H new ATOM 498 N GLU A 44 62.720 -4.131 10.568 1.00 1.00 N ATOM 499 CA GLU A 44 63.931 -3.667 11.249 1.00 1.00 C ATOM 500 C GLU A 44 64.363 -2.289 10.735 1.00 1.00 C ATOM 501 O GLU A 44 64.566 -1.364 11.522 1.00 1.00 O ATOM 502 CB GLU A 44 65.072 -4.676 11.039 1.00 1.00 C ATOM 503 CG GLU A 44 64.770 -5.995 11.780 1.00 1.00 C ATOM 504 CD GLU A 44 63.852 -6.881 10.940 1.00 1.00 C ATOM 505 OE1 GLU A 44 63.416 -6.431 9.895 1.00 1.00 O ATOM 506 OE2 GLU A 44 63.596 -7.998 11.358 1.00 1.00 O ATOM 0 H GLU A 44 62.797 -5.056 10.146 1.00 1.00 H new ATOM 0 HA GLU A 44 63.707 -3.583 12.312 1.00 1.00 H new ATOM 0 HB2 GLU A 44 65.201 -4.871 9.974 1.00 1.00 H new ATOM 0 HB3 GLU A 44 66.009 -4.255 11.402 1.00 1.00 H new ATOM 0 HG2 GLU A 44 65.701 -6.522 11.991 1.00 1.00 H new ATOM 0 HG3 GLU A 44 64.300 -5.781 12.740 1.00 1.00 H new ATOM 513 N GLU A 45 64.501 -2.150 9.420 1.00 1.00 N ATOM 514 CA GLU A 45 64.905 -0.870 8.835 1.00 1.00 C ATOM 515 C GLU A 45 64.716 -0.908 7.320 1.00 1.00 C ATOM 516 O GLU A 45 65.174 -1.841 6.659 1.00 1.00 O ATOM 517 CB GLU A 45 66.373 -0.572 9.177 1.00 1.00 C ATOM 518 CG GLU A 45 66.640 0.934 9.083 1.00 1.00 C ATOM 519 CD GLU A 45 65.946 1.658 10.232 1.00 1.00 C ATOM 520 OE1 GLU A 45 65.396 0.983 11.087 1.00 1.00 O ATOM 521 OE2 GLU A 45 65.975 2.878 10.241 1.00 1.00 O ATOM 0 H GLU A 45 64.342 -2.897 8.744 1.00 1.00 H new ATOM 0 HA GLU A 45 64.281 -0.078 9.250 1.00 1.00 H new ATOM 0 HB2 GLU A 45 66.600 -0.927 10.182 1.00 1.00 H new ATOM 0 HB3 GLU A 45 67.030 -1.109 8.493 1.00 1.00 H new ATOM 0 HG2 GLU A 45 67.713 1.125 9.117 1.00 1.00 H new ATOM 0 HG3 GLU A 45 66.278 1.317 8.129 1.00 1.00 H new ATOM 528 N LEU A 46 64.016 0.090 6.780 1.00 1.00 N ATOM 529 CA LEU A 46 63.746 0.129 5.347 1.00 1.00 C ATOM 530 C LEU A 46 64.988 0.322 4.489 1.00 1.00 C ATOM 531 O LEU A 46 65.152 -0.381 3.504 1.00 1.00 O ATOM 532 CB LEU A 46 62.736 1.237 5.020 1.00 1.00 C ATOM 533 CG LEU A 46 62.461 1.269 3.486 1.00 1.00 C ATOM 534 CD1 LEU A 46 60.966 1.469 3.218 1.00 1.00 C ATOM 535 CD2 LEU A 46 63.237 2.420 2.826 1.00 1.00 C ATOM 0 H LEU A 46 63.630 0.873 7.308 1.00 1.00 H new ATOM 0 HA LEU A 46 63.337 -0.851 5.102 1.00 1.00 H new ATOM 0 HB2 LEU A 46 61.806 1.064 5.561 1.00 1.00 H new ATOM 0 HB3 LEU A 46 63.122 2.202 5.349 1.00 1.00 H new ATOM 0 HG LEU A 46 62.787 0.318 3.065 1.00 1.00 H new ATOM 0 HD11 LEU A 46 60.789 1.489 2.143 1.00 1.00 H new ATOM 0 HD12 LEU A 46 60.404 0.648 3.663 1.00 1.00 H new ATOM 0 HD13 LEU A 46 60.641 2.412 3.657 1.00 1.00 H new ATOM 0 HD21 LEU A 46 63.034 2.429 1.755 1.00 1.00 H new ATOM 0 HD22 LEU A 46 62.923 3.368 3.262 1.00 1.00 H new ATOM 0 HD23 LEU A 46 64.305 2.281 2.992 1.00 1.00 H new ATOM 547 N VAL A 47 65.832 1.288 4.826 1.00 1.00 N ATOM 548 CA VAL A 47 67.015 1.560 4.005 1.00 1.00 C ATOM 549 C VAL A 47 68.025 0.402 4.009 1.00 1.00 C ATOM 550 O VAL A 47 68.636 0.111 2.982 1.00 1.00 O ATOM 551 CB VAL A 47 67.707 2.843 4.481 1.00 1.00 C ATOM 552 CG1 VAL A 47 66.678 3.964 4.641 1.00 1.00 C ATOM 553 CG2 VAL A 47 68.385 2.580 5.827 1.00 1.00 C ATOM 0 H VAL A 47 65.728 1.888 5.644 1.00 1.00 H new ATOM 0 HA VAL A 47 66.662 1.680 2.981 1.00 1.00 H new ATOM 0 HB VAL A 47 68.451 3.145 3.744 1.00 1.00 H new ATOM 0 HG11 VAL A 47 67.178 4.871 4.979 1.00 1.00 H new ATOM 0 HG12 VAL A 47 66.193 4.152 3.683 1.00 1.00 H new ATOM 0 HG13 VAL A 47 65.928 3.668 5.375 1.00 1.00 H new ATOM 0 HG21 VAL A 47 68.879 3.489 6.170 1.00 1.00 H new ATOM 0 HG22 VAL A 47 67.636 2.276 6.558 1.00 1.00 H new ATOM 0 HG23 VAL A 47 69.124 1.787 5.713 1.00 1.00 H new ATOM 563 N GLN A 48 68.228 -0.233 5.164 1.00 1.00 N ATOM 564 CA GLN A 48 69.212 -1.319 5.248 1.00 1.00 C ATOM 565 C GLN A 48 68.822 -2.506 4.371 1.00 1.00 C ATOM 566 O GLN A 48 69.619 -2.958 3.548 1.00 1.00 O ATOM 567 CB GLN A 48 69.341 -1.798 6.707 1.00 1.00 C ATOM 568 CG GLN A 48 69.710 -0.621 7.631 1.00 1.00 C ATOM 569 CD GLN A 48 69.623 -1.053 9.091 1.00 1.00 C ATOM 570 OE1 GLN A 48 69.417 -2.231 9.382 1.00 1.00 O ATOM 571 NE2 GLN A 48 69.768 -0.160 10.032 1.00 1.00 N ATOM 0 H GLN A 48 67.740 -0.024 6.035 1.00 1.00 H new ATOM 0 HA GLN A 48 70.164 -0.925 4.892 1.00 1.00 H new ATOM 0 HB2 GLN A 48 68.402 -2.244 7.034 1.00 1.00 H new ATOM 0 HB3 GLN A 48 70.103 -2.574 6.775 1.00 1.00 H new ATOM 0 HG2 GLN A 48 70.719 -0.274 7.406 1.00 1.00 H new ATOM 0 HG3 GLN A 48 69.037 0.217 7.451 1.00 1.00 H new ATOM 0 HE21 GLN A 48 69.939 0.815 9.787 1.00 1.00 H new ATOM 0 HE22 GLN A 48 69.711 -0.438 11.012 1.00 1.00 H new ATOM 580 N LYS A 49 67.610 -3.016 4.555 1.00 1.00 N ATOM 581 CA LYS A 49 67.153 -4.163 3.778 1.00 1.00 C ATOM 582 C LYS A 49 66.989 -3.798 2.318 1.00 1.00 C ATOM 583 O LYS A 49 67.258 -4.597 1.421 1.00 1.00 O ATOM 584 CB LYS A 49 65.833 -4.690 4.356 1.00 1.00 C ATOM 585 CG LYS A 49 65.487 -6.106 3.831 1.00 1.00 C ATOM 586 CD LYS A 49 66.528 -7.138 4.316 1.00 1.00 C ATOM 587 CE LYS A 49 65.982 -8.594 4.190 1.00 1.00 C ATOM 588 NZ LYS A 49 64.709 -8.602 3.412 1.00 1.00 N ATOM 0 H LYS A 49 66.932 -2.659 5.228 1.00 1.00 H new ATOM 0 HA LYS A 49 67.906 -4.949 3.841 1.00 1.00 H new ATOM 0 HB2 LYS A 49 65.899 -4.714 5.444 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.027 -4.003 4.100 1.00 1.00 H new ATOM 0 HG2 LYS A 49 64.494 -6.394 4.176 1.00 1.00 H new ATOM 0 HG3 LYS A 49 65.456 -6.098 2.741 1.00 1.00 H new ATOM 0 HD2 LYS A 49 67.442 -7.038 3.731 1.00 1.00 H new ATOM 0 HD3 LYS A 49 66.790 -6.934 5.354 1.00 1.00 H new ATOM 0 HE2 LYS A 49 66.721 -9.226 3.698 1.00 1.00 H new ATOM 0 HE3 LYS A 49 65.813 -9.014 5.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 64.418 -9.584 3.233 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 63.968 -8.114 3.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 64.853 -8.113 2.505 1.00 1.00 H new ATOM 602 N TYR A 50 66.543 -2.587 2.101 1.00 1.00 N ATOM 603 CA TYR A 50 66.329 -2.074 0.766 1.00 1.00 C ATOM 604 C TYR A 50 67.623 -2.122 -0.051 1.00 1.00 C ATOM 605 O TYR A 50 67.632 -2.593 -1.188 1.00 1.00 O ATOM 606 CB TYR A 50 65.840 -0.647 0.935 1.00 1.00 C ATOM 607 CG TYR A 50 65.912 0.123 -0.359 1.00 1.00 C ATOM 608 CD1 TYR A 50 65.094 -0.237 -1.432 1.00 1.00 C ATOM 609 CD2 TYR A 50 66.791 1.208 -0.475 1.00 1.00 C ATOM 610 CE1 TYR A 50 65.154 0.485 -2.627 1.00 1.00 C ATOM 611 CE2 TYR A 50 66.852 1.930 -1.664 1.00 1.00 C ATOM 612 CZ TYR A 50 66.033 1.570 -2.746 1.00 1.00 C ATOM 613 OH TYR A 50 66.093 2.282 -3.926 1.00 1.00 O ATOM 0 H TYR A 50 66.317 -1.926 2.844 1.00 1.00 H new ATOM 0 HA TYR A 50 65.601 -2.675 0.222 1.00 1.00 H new ATOM 0 HB2 TYR A 50 64.812 -0.655 1.297 1.00 1.00 H new ATOM 0 HB3 TYR A 50 66.441 -0.143 1.692 1.00 1.00 H new ATOM 0 HD1 TYR A 50 64.416 -1.072 -1.338 1.00 1.00 H new ATOM 0 HD2 TYR A 50 67.421 1.484 0.358 1.00 1.00 H new ATOM 0 HE1 TYR A 50 64.523 0.207 -3.458 1.00 1.00 H new ATOM 0 HE2 TYR A 50 67.529 2.767 -1.754 1.00 1.00 H new ATOM 0 HH TYR A 50 66.752 3.002 -3.840 1.00 1.00 H new ATOM 623 N SER A 51 68.710 -1.636 0.536 1.00 1.00 N ATOM 624 CA SER A 51 70.002 -1.633 -0.142 1.00 1.00 C ATOM 625 C SER A 51 70.546 -3.056 -0.291 1.00 1.00 C ATOM 626 O SER A 51 71.201 -3.382 -1.281 1.00 1.00 O ATOM 627 CB SER A 51 71.002 -0.780 0.647 1.00 1.00 C ATOM 628 OG SER A 51 72.071 -0.401 -0.210 1.00 1.00 O ATOM 0 H SER A 51 68.724 -1.240 1.476 1.00 1.00 H new ATOM 0 HA SER A 51 69.864 -1.210 -1.137 1.00 1.00 H new ATOM 0 HB2 SER A 51 70.508 0.106 1.045 1.00 1.00 H new ATOM 0 HB3 SER A 51 71.385 -1.342 1.499 1.00 1.00 H new ATOM 0 HG SER A 51 72.713 0.146 0.290 1.00 1.00 H new ATOM 634 N ASN A 52 70.310 -3.882 0.722 1.00 1.00 N ATOM 635 CA ASN A 52 70.819 -5.256 0.723 1.00 1.00 C ATOM 636 C ASN A 52 69.939 -6.244 -0.050 1.00 1.00 C ATOM 637 O ASN A 52 70.374 -6.809 -1.054 1.00 1.00 O ATOM 638 CB ASN A 52 70.966 -5.729 2.169 1.00 1.00 C ATOM 639 CG ASN A 52 72.110 -4.973 2.838 1.00 1.00 C ATOM 640 OD1 ASN A 52 72.948 -4.387 2.153 1.00 1.00 O ATOM 641 ND2 ASN A 52 72.197 -4.948 4.140 1.00 1.00 N ATOM 0 H ASN A 52 69.772 -3.630 1.551 1.00 1.00 H new ATOM 0 HA ASN A 52 71.780 -5.237 0.210 1.00 1.00 H new ATOM 0 HB2 ASN A 52 70.037 -5.561 2.714 1.00 1.00 H new ATOM 0 HB3 ASN A 52 71.161 -6.801 2.194 1.00 1.00 H new ATOM 0 HD21 ASN A 52 72.960 -4.443 4.591 1.00 1.00 H new ATOM 0 HD22 ASN A 52 71.502 -5.434 4.707 1.00 1.00 H new ATOM 648 N SER A 53 68.719 -6.481 0.430 1.00 1.00 N ATOM 649 CA SER A 53 67.825 -7.447 -0.227 1.00 1.00 C ATOM 650 C SER A 53 67.035 -6.812 -1.355 1.00 1.00 C ATOM 651 O SER A 53 65.826 -7.007 -1.481 1.00 1.00 O ATOM 652 CB SER A 53 66.880 -8.070 0.790 1.00 1.00 C ATOM 653 OG SER A 53 66.467 -9.349 0.327 1.00 1.00 O ATOM 0 H SER A 53 68.327 -6.029 1.256 1.00 1.00 H new ATOM 0 HA SER A 53 68.451 -8.227 -0.662 1.00 1.00 H new ATOM 0 HB2 SER A 53 67.377 -8.163 1.756 1.00 1.00 H new ATOM 0 HB3 SER A 53 66.013 -7.427 0.939 1.00 1.00 H new ATOM 0 HG SER A 53 65.859 -9.753 0.981 1.00 1.00 H new ATOM 659 N ALA A 54 67.734 -6.070 -2.187 1.00 1.00 N ATOM 660 CA ALA A 54 67.105 -5.428 -3.323 1.00 1.00 C ATOM 661 C ALA A 54 66.550 -6.482 -4.268 1.00 1.00 C ATOM 662 O ALA A 54 65.618 -6.226 -5.031 1.00 1.00 O ATOM 663 CB ALA A 54 68.122 -4.564 -4.064 1.00 1.00 C ATOM 0 H ALA A 54 68.735 -5.896 -2.099 1.00 1.00 H new ATOM 0 HA ALA A 54 66.291 -4.797 -2.966 1.00 1.00 H new ATOM 0 HB1 ALA A 54 67.640 -4.085 -4.917 1.00 1.00 H new ATOM 0 HB2 ALA A 54 68.510 -3.800 -3.390 1.00 1.00 H new ATOM 0 HB3 ALA A 54 68.943 -5.189 -4.415 1.00 1.00 H new ATOM 669 N LEU A 55 67.158 -7.665 -4.218 1.00 1.00 N ATOM 670 CA LEU A 55 66.760 -8.774 -5.091 1.00 1.00 C ATOM 671 C LEU A 55 65.675 -9.637 -4.446 1.00 1.00 C ATOM 672 O LEU A 55 65.031 -10.442 -5.118 1.00 1.00 O ATOM 673 CB LEU A 55 67.992 -9.642 -5.411 1.00 1.00 C ATOM 674 CG LEU A 55 69.012 -8.837 -6.262 1.00 1.00 C ATOM 675 CD1 LEU A 55 69.999 -8.106 -5.344 1.00 1.00 C ATOM 676 CD2 LEU A 55 69.810 -9.780 -7.176 1.00 1.00 C ATOM 0 H LEU A 55 67.927 -7.883 -3.584 1.00 1.00 H new ATOM 0 HA LEU A 55 66.350 -8.353 -6.009 1.00 1.00 H new ATOM 0 HB2 LEU A 55 68.462 -9.974 -4.485 1.00 1.00 H new ATOM 0 HB3 LEU A 55 67.684 -10.538 -5.951 1.00 1.00 H new ATOM 0 HG LEU A 55 68.457 -8.119 -6.866 1.00 1.00 H new ATOM 0 HD11 LEU A 55 70.711 -7.544 -5.949 1.00 1.00 H new ATOM 0 HD12 LEU A 55 69.453 -7.421 -4.695 1.00 1.00 H new ATOM 0 HD13 LEU A 55 70.536 -8.833 -4.734 1.00 1.00 H new ATOM 0 HD21 LEU A 55 70.520 -9.200 -7.766 1.00 1.00 H new ATOM 0 HD22 LEU A 55 70.350 -10.505 -6.568 1.00 1.00 H new ATOM 0 HD23 LEU A 55 69.126 -10.304 -7.844 1.00 1.00 H new ATOM 688 N GLY A 56 65.480 -9.470 -3.143 1.00 1.00 N ATOM 689 CA GLY A 56 64.476 -10.251 -2.418 1.00 1.00 C ATOM 690 C GLY A 56 63.109 -9.572 -2.419 1.00 1.00 C ATOM 691 O GLY A 56 62.081 -10.240 -2.516 1.00 1.00 O ATOM 0 H GLY A 56 65.998 -8.806 -2.567 1.00 1.00 H new ATOM 0 HA2 GLY A 56 64.390 -11.239 -2.871 1.00 1.00 H new ATOM 0 HA3 GLY A 56 64.806 -10.399 -1.390 1.00 1.00 H new ATOM 695 N HIS A 57 63.101 -8.252 -2.295 1.00 1.00 N ATOM 696 CA HIS A 57 61.844 -7.507 -2.267 1.00 1.00 C ATOM 697 C HIS A 57 61.115 -7.579 -3.605 1.00 1.00 C ATOM 698 O HIS A 57 59.890 -7.677 -3.646 1.00 1.00 O ATOM 699 CB HIS A 57 62.112 -6.038 -1.949 1.00 1.00 C ATOM 700 CG HIS A 57 62.698 -5.906 -0.572 1.00 1.00 C ATOM 701 ND1 HIS A 57 62.501 -6.859 0.414 1.00 1.00 N ATOM 702 CD2 HIS A 57 63.466 -4.926 0.001 1.00 1.00 C ATOM 703 CE1 HIS A 57 63.138 -6.433 1.520 1.00 1.00 C ATOM 704 NE2 HIS A 57 63.742 -5.259 1.320 1.00 1.00 N ATOM 0 H HIS A 57 63.940 -7.677 -2.213 1.00 1.00 H new ATOM 0 HA HIS A 57 61.220 -7.960 -1.497 1.00 1.00 H new ATOM 0 HB2 HIS A 57 62.796 -5.617 -2.686 1.00 1.00 H new ATOM 0 HB3 HIS A 57 61.185 -5.469 -2.014 1.00 1.00 H new ATOM 0 HD2 HIS A 57 63.805 -4.030 -0.498 1.00 1.00 H new ATOM 0 HE1 HIS A 57 63.158 -6.974 2.454 1.00 1.00 H new ATOM 0 HE2 HIS A 57 64.289 -4.722 1.993 1.00 1.00 H new ATOM 712 N VAL A 58 61.867 -7.483 -4.697 1.00 1.00 N ATOM 713 CA VAL A 58 61.265 -7.486 -6.026 1.00 1.00 C ATOM 714 C VAL A 58 60.347 -8.679 -6.260 1.00 1.00 C ATOM 715 O VAL A 58 59.148 -8.490 -6.468 1.00 1.00 O ATOM 716 CB VAL A 58 62.363 -7.442 -7.095 1.00 1.00 C ATOM 717 CG1 VAL A 58 63.262 -8.685 -7.000 1.00 1.00 C ATOM 718 CG2 VAL A 58 61.714 -7.370 -8.482 1.00 1.00 C ATOM 0 H VAL A 58 62.884 -7.403 -4.689 1.00 1.00 H new ATOM 0 HA VAL A 58 60.642 -6.595 -6.097 1.00 1.00 H new ATOM 0 HB VAL A 58 62.982 -6.560 -6.932 1.00 1.00 H new ATOM 0 HG11 VAL A 58 64.035 -8.635 -7.767 1.00 1.00 H new ATOM 0 HG12 VAL A 58 63.729 -8.722 -6.016 1.00 1.00 H new ATOM 0 HG13 VAL A 58 62.660 -9.581 -7.149 1.00 1.00 H new ATOM 0 HG21 VAL A 58 62.491 -7.338 -9.246 1.00 1.00 H new ATOM 0 HG22 VAL A 58 61.088 -8.249 -8.637 1.00 1.00 H new ATOM 0 HG23 VAL A 58 61.101 -6.471 -8.551 1.00 1.00 H new ATOM 728 N ASN A 59 60.877 -9.899 -6.250 1.00 1.00 N ATOM 729 CA ASN A 59 60.021 -11.055 -6.488 1.00 1.00 C ATOM 730 C ASN A 59 59.095 -11.319 -5.314 1.00 1.00 C ATOM 731 O ASN A 59 57.943 -11.701 -5.504 1.00 1.00 O ATOM 732 CB ASN A 59 60.819 -12.317 -6.780 1.00 1.00 C ATOM 733 CG ASN A 59 61.538 -12.188 -8.119 1.00 1.00 C ATOM 734 OD1 ASN A 59 61.163 -11.360 -8.948 1.00 1.00 O ATOM 735 ND2 ASN A 59 62.553 -12.965 -8.382 1.00 1.00 N ATOM 0 H ASN A 59 61.861 -10.109 -6.086 1.00 1.00 H new ATOM 0 HA ASN A 59 59.428 -10.806 -7.368 1.00 1.00 H new ATOM 0 HB2 ASN A 59 61.544 -12.489 -5.985 1.00 1.00 H new ATOM 0 HB3 ASN A 59 60.154 -13.180 -6.798 1.00 1.00 H new ATOM 0 HD21 ASN A 59 63.037 -12.886 -9.276 1.00 1.00 H new ATOM 0 HD22 ASN A 59 62.862 -13.651 -7.693 1.00 1.00 H new ATOM 742 N SER A 60 59.604 -11.135 -4.099 1.00 1.00 N ATOM 743 CA SER A 60 58.793 -11.384 -2.916 1.00 1.00 C ATOM 744 C SER A 60 57.474 -10.660 -3.062 1.00 1.00 C ATOM 745 O SER A 60 56.428 -11.166 -2.675 1.00 1.00 O ATOM 746 CB SER A 60 59.512 -10.896 -1.659 1.00 1.00 C ATOM 747 OG SER A 60 58.601 -10.893 -0.569 1.00 1.00 O ATOM 0 H SER A 60 60.556 -10.820 -3.911 1.00 1.00 H new ATOM 0 HA SER A 60 58.621 -12.456 -2.820 1.00 1.00 H new ATOM 0 HB2 SER A 60 60.361 -11.543 -1.437 1.00 1.00 H new ATOM 0 HB3 SER A 60 59.909 -9.894 -1.819 1.00 1.00 H new ATOM 0 HG SER A 60 59.059 -10.582 0.239 1.00 1.00 H new ATOM 753 N THR A 61 57.536 -9.475 -3.646 1.00 1.00 N ATOM 754 CA THR A 61 56.339 -8.687 -3.863 1.00 1.00 C ATOM 755 C THR A 61 55.363 -9.415 -4.776 1.00 1.00 C ATOM 756 O THR A 61 54.168 -9.462 -4.497 1.00 1.00 O ATOM 757 CB THR A 61 56.712 -7.342 -4.491 1.00 1.00 C ATOM 758 OG1 THR A 61 57.751 -6.743 -3.731 1.00 1.00 O ATOM 759 CG2 THR A 61 55.491 -6.421 -4.508 1.00 1.00 C ATOM 0 H THR A 61 58.398 -9.041 -3.976 1.00 1.00 H new ATOM 0 HA THR A 61 55.859 -8.526 -2.898 1.00 1.00 H new ATOM 0 HB THR A 61 57.052 -7.501 -5.514 1.00 1.00 H new ATOM 0 HG1 THR A 61 58.619 -7.053 -4.063 1.00 1.00 H new ATOM 0 HG21 THR A 61 55.762 -5.465 -4.956 1.00 1.00 H new ATOM 0 HG22 THR A 61 54.695 -6.883 -5.092 1.00 1.00 H new ATOM 0 HG23 THR A 61 55.144 -6.258 -3.488 1.00 1.00 H new ATOM 767 N ILE A 62 55.867 -9.947 -5.886 1.00 1.00 N ATOM 768 CA ILE A 62 55.008 -10.635 -6.850 1.00 1.00 C ATOM 769 C ILE A 62 54.620 -12.032 -6.373 1.00 1.00 C ATOM 770 O ILE A 62 53.519 -12.509 -6.638 1.00 1.00 O ATOM 771 CB ILE A 62 55.684 -10.728 -8.214 1.00 1.00 C ATOM 772 CG1 ILE A 62 56.291 -9.356 -8.581 1.00 1.00 C ATOM 773 CG2 ILE A 62 54.640 -11.122 -9.266 1.00 1.00 C ATOM 774 CD1 ILE A 62 57.346 -9.528 -9.663 1.00 1.00 C ATOM 0 H ILE A 62 56.854 -9.917 -6.140 1.00 1.00 H new ATOM 0 HA ILE A 62 54.098 -10.042 -6.940 1.00 1.00 H new ATOM 0 HB ILE A 62 56.475 -11.477 -8.182 1.00 1.00 H new ATOM 0 HG12 ILE A 62 55.507 -8.683 -8.929 1.00 1.00 H new ATOM 0 HG13 ILE A 62 56.735 -8.897 -7.698 1.00 1.00 H new ATOM 0 HG21 ILE A 62 55.117 -11.190 -10.244 1.00 1.00 H new ATOM 0 HG22 ILE A 62 54.207 -12.088 -9.005 1.00 1.00 H new ATOM 0 HG23 ILE A 62 53.853 -10.368 -9.298 1.00 1.00 H new ATOM 0 HD11 ILE A 62 57.769 -8.556 -9.916 1.00 1.00 H new ATOM 0 HD12 ILE A 62 58.137 -10.184 -9.299 1.00 1.00 H new ATOM 0 HD13 ILE A 62 56.889 -9.967 -10.550 1.00 1.00 H new ATOM 786 N LYS A 63 55.539 -12.706 -5.712 1.00 1.00 N ATOM 787 CA LYS A 63 55.278 -14.057 -5.240 1.00 1.00 C ATOM 788 C LYS A 63 54.224 -14.084 -4.124 1.00 1.00 C ATOM 789 O LYS A 63 53.318 -14.917 -4.136 1.00 1.00 O ATOM 790 CB LYS A 63 56.598 -14.676 -4.722 1.00 1.00 C ATOM 791 CG LYS A 63 56.513 -16.210 -4.774 1.00 1.00 C ATOM 792 CD LYS A 63 57.864 -16.832 -4.377 1.00 1.00 C ATOM 793 CE LYS A 63 58.873 -16.712 -5.530 1.00 1.00 C ATOM 794 NZ LYS A 63 60.022 -17.629 -5.286 1.00 1.00 N ATOM 0 H LYS A 63 56.467 -12.347 -5.489 1.00 1.00 H new ATOM 0 HA LYS A 63 54.886 -14.636 -6.076 1.00 1.00 H new ATOM 0 HB2 LYS A 63 57.435 -14.329 -5.328 1.00 1.00 H new ATOM 0 HB3 LYS A 63 56.787 -14.348 -3.700 1.00 1.00 H new ATOM 0 HG2 LYS A 63 55.731 -16.561 -4.101 1.00 1.00 H new ATOM 0 HG3 LYS A 63 56.237 -16.532 -5.778 1.00 1.00 H new ATOM 0 HD2 LYS A 63 58.255 -16.332 -3.491 1.00 1.00 H new ATOM 0 HD3 LYS A 63 57.725 -17.881 -4.116 1.00 1.00 H new ATOM 0 HE2 LYS A 63 58.391 -16.960 -6.476 1.00 1.00 H new ATOM 0 HE3 LYS A 63 59.226 -15.684 -5.612 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 60.704 -17.547 -6.067 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 60.487 -17.372 -4.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 59.678 -18.609 -5.229 1.00 1.00 H new ATOM 808 N GLU A 64 54.395 -13.207 -3.136 1.00 1.00 N ATOM 809 CA GLU A 64 53.507 -13.160 -1.970 1.00 1.00 C ATOM 810 C GLU A 64 52.157 -12.455 -2.199 1.00 1.00 C ATOM 811 O GLU A 64 51.203 -12.740 -1.482 1.00 1.00 O ATOM 812 CB GLU A 64 54.235 -12.472 -0.807 1.00 1.00 C ATOM 813 CG GLU A 64 54.214 -10.939 -0.997 1.00 1.00 C ATOM 814 CD GLU A 64 52.916 -10.349 -0.452 1.00 1.00 C ATOM 815 OE1 GLU A 64 52.111 -11.111 0.056 1.00 1.00 O ATOM 816 OE2 GLU A 64 52.743 -9.146 -0.560 1.00 1.00 O ATOM 0 H GLU A 64 55.144 -12.515 -3.118 1.00 1.00 H new ATOM 0 HA GLU A 64 53.265 -14.200 -1.749 1.00 1.00 H new ATOM 0 HB2 GLU A 64 53.758 -12.735 0.137 1.00 1.00 H new ATOM 0 HB3 GLU A 64 55.265 -12.825 -0.753 1.00 1.00 H new ATOM 0 HG2 GLU A 64 55.066 -10.492 -0.485 1.00 1.00 H new ATOM 0 HG3 GLU A 64 54.314 -10.697 -2.055 1.00 1.00 H new ATOM 823 N LEU A 65 52.090 -11.488 -3.119 1.00 1.00 N ATOM 824 CA LEU A 65 50.842 -10.722 -3.311 1.00 1.00 C ATOM 825 C LEU A 65 49.588 -11.587 -3.117 1.00 1.00 C ATOM 826 O LEU A 65 48.543 -11.082 -2.706 1.00 1.00 O ATOM 827 CB LEU A 65 50.812 -10.006 -4.681 1.00 1.00 C ATOM 828 CG LEU A 65 51.545 -10.811 -5.728 1.00 1.00 C ATOM 829 CD1 LEU A 65 50.994 -12.235 -5.803 1.00 1.00 C ATOM 830 CD2 LEU A 65 51.385 -10.117 -7.086 1.00 1.00 C ATOM 0 H LEU A 65 52.860 -11.217 -3.731 1.00 1.00 H new ATOM 0 HA LEU A 65 50.831 -9.958 -2.534 1.00 1.00 H new ATOM 0 HB2 LEU A 65 49.779 -9.852 -4.993 1.00 1.00 H new ATOM 0 HB3 LEU A 65 51.268 -9.020 -4.590 1.00 1.00 H new ATOM 0 HG LEU A 65 52.600 -10.871 -5.460 1.00 1.00 H new ATOM 0 HD11 LEU A 65 51.537 -12.796 -6.564 1.00 1.00 H new ATOM 0 HD12 LEU A 65 51.115 -12.724 -4.836 1.00 1.00 H new ATOM 0 HD13 LEU A 65 49.936 -12.202 -6.063 1.00 1.00 H new ATOM 0 HD21 LEU A 65 51.910 -10.689 -7.851 1.00 1.00 H new ATOM 0 HD22 LEU A 65 50.327 -10.056 -7.341 1.00 1.00 H new ATOM 0 HD23 LEU A 65 51.804 -9.112 -7.033 1.00 1.00 H new ATOM 842 N ARG A 66 49.695 -12.880 -3.388 1.00 1.00 N ATOM 843 CA ARG A 66 48.560 -13.780 -3.204 1.00 1.00 C ATOM 844 C ARG A 66 48.298 -14.010 -1.713 1.00 1.00 C ATOM 845 O ARG A 66 47.154 -14.031 -1.256 1.00 1.00 O ATOM 846 CB ARG A 66 48.831 -15.120 -3.907 1.00 1.00 C ATOM 847 CG ARG A 66 50.288 -15.549 -3.680 1.00 1.00 C ATOM 848 CD ARG A 66 50.478 -16.990 -4.154 1.00 1.00 C ATOM 849 NE ARG A 66 49.705 -17.897 -3.314 1.00 1.00 N ATOM 850 CZ ARG A 66 49.554 -19.179 -3.637 1.00 1.00 C ATOM 851 NH1 ARG A 66 50.103 -19.647 -4.725 1.00 1.00 N ATOM 852 NH2 ARG A 66 48.857 -19.966 -2.865 1.00 1.00 N ATOM 0 H ARG A 66 50.544 -13.328 -3.732 1.00 1.00 H new ATOM 0 HA ARG A 66 47.675 -13.321 -3.645 1.00 1.00 H new ATOM 0 HB2 ARG A 66 48.155 -15.884 -3.524 1.00 1.00 H new ATOM 0 HB3 ARG A 66 48.633 -15.026 -4.975 1.00 1.00 H new ATOM 0 HG2 ARG A 66 50.962 -14.885 -4.222 1.00 1.00 H new ATOM 0 HG3 ARG A 66 50.542 -15.467 -2.623 1.00 1.00 H new ATOM 0 HD2 ARG A 66 50.162 -17.085 -5.193 1.00 1.00 H new ATOM 0 HD3 ARG A 66 51.534 -17.258 -4.117 1.00 1.00 H new ATOM 0 HE ARG A 66 49.271 -17.542 -2.462 1.00 1.00 H new ATOM 0 HH11 ARG A 66 50.648 -19.030 -5.327 1.00 1.00 H new ATOM 0 HH12 ARG A 66 49.987 -20.630 -4.973 1.00 1.00 H new ATOM 0 HH21 ARG A 66 48.429 -19.598 -2.015 1.00 1.00 H new ATOM 0 HH22 ARG A 66 48.740 -20.949 -3.111 1.00 1.00 H new ATOM 866 N ARG A 67 49.388 -14.194 -0.978 1.00 1.00 N ATOM 867 CA ARG A 67 49.348 -14.442 0.462 1.00 1.00 C ATOM 868 C ARG A 67 48.966 -13.204 1.270 1.00 1.00 C ATOM 869 O ARG A 67 48.449 -13.329 2.377 1.00 1.00 O ATOM 870 CB ARG A 67 50.727 -14.935 0.914 1.00 1.00 C ATOM 871 CG ARG A 67 50.909 -16.405 0.509 1.00 1.00 C ATOM 872 CD ARG A 67 52.302 -16.891 0.928 1.00 1.00 C ATOM 873 NE ARG A 67 52.479 -18.292 0.548 1.00 1.00 N ATOM 874 CZ ARG A 67 52.099 -19.281 1.355 1.00 1.00 C ATOM 875 NH1 ARG A 67 51.558 -19.011 2.511 1.00 1.00 N ATOM 876 NH2 ARG A 67 52.268 -20.522 0.989 1.00 1.00 N ATOM 0 H ARG A 67 50.332 -14.176 -1.365 1.00 1.00 H new ATOM 0 HA ARG A 67 48.578 -15.191 0.645 1.00 1.00 H new ATOM 0 HB2 ARG A 67 51.508 -14.324 0.462 1.00 1.00 H new ATOM 0 HB3 ARG A 67 50.825 -14.831 1.995 1.00 1.00 H new ATOM 0 HG2 ARG A 67 50.142 -17.019 0.981 1.00 1.00 H new ATOM 0 HG3 ARG A 67 50.785 -16.513 -0.569 1.00 1.00 H new ATOM 0 HD2 ARG A 67 53.068 -16.278 0.454 1.00 1.00 H new ATOM 0 HD3 ARG A 67 52.426 -16.779 2.005 1.00 1.00 H new ATOM 0 HE ARG A 67 52.902 -18.516 -0.353 1.00 1.00 H new ATOM 0 HH11 ARG A 67 51.425 -18.041 2.798 1.00 1.00 H new ATOM 0 HH12 ARG A 67 51.268 -19.770 3.128 1.00 1.00 H new ATOM 0 HH21 ARG A 67 52.691 -20.734 0.085 1.00 1.00 H new ATOM 0 HH22 ARG A 67 51.977 -21.280 1.607 1.00 1.00 H new ATOM 890 N LEU A 68 49.248 -12.019 0.739 1.00 1.00 N ATOM 891 CA LEU A 68 48.954 -10.785 1.473 1.00 1.00 C ATOM 892 C LEU A 68 47.478 -10.690 1.798 1.00 1.00 C ATOM 893 O LEU A 68 47.101 -10.307 2.905 1.00 1.00 O ATOM 894 CB LEU A 68 49.377 -9.548 0.658 1.00 1.00 C ATOM 895 CG LEU A 68 48.967 -8.255 1.384 1.00 1.00 C ATOM 896 CD1 LEU A 68 49.558 -8.228 2.802 1.00 1.00 C ATOM 897 CD2 LEU A 68 49.481 -7.048 0.592 1.00 1.00 C ATOM 0 H LEU A 68 49.672 -11.883 -0.179 1.00 1.00 H new ATOM 0 HA LEU A 68 49.523 -10.812 2.402 1.00 1.00 H new ATOM 0 HB2 LEU A 68 50.456 -9.559 0.504 1.00 1.00 H new ATOM 0 HB3 LEU A 68 48.914 -9.580 -0.328 1.00 1.00 H new ATOM 0 HG LEU A 68 47.880 -8.216 1.457 1.00 1.00 H new ATOM 0 HD11 LEU A 68 49.259 -7.307 3.303 1.00 1.00 H new ATOM 0 HD12 LEU A 68 49.189 -9.084 3.366 1.00 1.00 H new ATOM 0 HD13 LEU A 68 50.646 -8.273 2.744 1.00 1.00 H new ATOM 0 HD21 LEU A 68 49.193 -6.129 1.102 1.00 1.00 H new ATOM 0 HD22 LEU A 68 50.567 -7.097 0.518 1.00 1.00 H new ATOM 0 HD23 LEU A 68 49.049 -7.058 -0.408 1.00 1.00 H new ATOM 909 N PHE A 69 46.649 -11.017 0.828 1.00 1.00 N ATOM 910 CA PHE A 69 45.214 -10.945 1.027 1.00 1.00 C ATOM 911 C PHE A 69 44.734 -12.059 1.952 1.00 1.00 C ATOM 912 O PHE A 69 43.876 -11.835 2.806 1.00 1.00 O ATOM 913 CB PHE A 69 44.501 -11.029 -0.323 1.00 1.00 C ATOM 914 CG PHE A 69 45.181 -10.146 -1.361 1.00 1.00 C ATOM 915 CD1 PHE A 69 45.910 -8.993 -0.994 1.00 1.00 C ATOM 916 CD2 PHE A 69 45.074 -10.495 -2.713 1.00 1.00 C ATOM 917 CE1 PHE A 69 46.521 -8.208 -1.981 1.00 1.00 C ATOM 918 CE2 PHE A 69 45.682 -9.710 -3.698 1.00 1.00 C ATOM 919 CZ PHE A 69 46.408 -8.564 -3.335 1.00 1.00 C ATOM 0 H PHE A 69 46.939 -11.332 -0.098 1.00 1.00 H new ATOM 0 HA PHE A 69 44.976 -9.992 1.499 1.00 1.00 H new ATOM 0 HB2 PHE A 69 44.494 -12.062 -0.670 1.00 1.00 H new ATOM 0 HB3 PHE A 69 43.461 -10.724 -0.208 1.00 1.00 H new ATOM 0 HD1 PHE A 69 45.996 -8.717 0.046 1.00 1.00 H new ATOM 0 HD2 PHE A 69 44.518 -11.376 -2.997 1.00 1.00 H new ATOM 0 HE1 PHE A 69 47.080 -7.328 -1.700 1.00 1.00 H new ATOM 0 HE2 PHE A 69 45.593 -9.985 -4.739 1.00 1.00 H new ATOM 0 HZ PHE A 69 46.878 -7.958 -4.095 1.00 1.00 H new ATOM 929 N LEU A 70 45.281 -13.257 1.783 1.00 1.00 N ATOM 930 CA LEU A 70 44.877 -14.379 2.622 1.00 1.00 C ATOM 931 C LEU A 70 45.236 -14.132 4.087 1.00 1.00 C ATOM 932 O LEU A 70 44.414 -14.342 4.980 1.00 1.00 O ATOM 933 CB LEU A 70 45.555 -15.667 2.140 1.00 1.00 C ATOM 934 CG LEU A 70 44.827 -16.897 2.732 1.00 1.00 C ATOM 935 CD1 LEU A 70 43.667 -17.308 1.814 1.00 1.00 C ATOM 936 CD2 LEU A 70 45.801 -18.073 2.862 1.00 1.00 C ATOM 0 H LEU A 70 45.993 -13.475 1.086 1.00 1.00 H new ATOM 0 HA LEU A 70 43.795 -14.482 2.544 1.00 1.00 H new ATOM 0 HB2 LEU A 70 45.538 -15.712 1.051 1.00 1.00 H new ATOM 0 HB3 LEU A 70 46.602 -15.673 2.443 1.00 1.00 H new ATOM 0 HG LEU A 70 44.442 -16.633 3.717 1.00 1.00 H new ATOM 0 HD11 LEU A 70 43.158 -18.175 2.236 1.00 1.00 H new ATOM 0 HD12 LEU A 70 42.962 -16.481 1.726 1.00 1.00 H new ATOM 0 HD13 LEU A 70 44.056 -17.560 0.827 1.00 1.00 H new ATOM 0 HD21 LEU A 70 45.279 -18.934 3.280 1.00 1.00 H new ATOM 0 HD22 LEU A 70 46.195 -18.330 1.879 1.00 1.00 H new ATOM 0 HD23 LEU A 70 46.623 -17.793 3.520 1.00 1.00 H new ATOM 948 N VAL A 71 46.468 -13.690 4.329 1.00 1.00 N ATOM 949 CA VAL A 71 46.928 -13.425 5.694 1.00 1.00 C ATOM 950 C VAL A 71 46.371 -12.103 6.227 1.00 1.00 C ATOM 951 O VAL A 71 46.329 -11.885 7.437 1.00 1.00 O ATOM 952 CB VAL A 71 48.471 -13.433 5.762 1.00 1.00 C ATOM 953 CG1 VAL A 71 49.059 -12.130 5.205 1.00 1.00 C ATOM 954 CG2 VAL A 71 48.914 -13.604 7.219 1.00 1.00 C ATOM 0 H VAL A 71 47.163 -13.508 3.605 1.00 1.00 H new ATOM 0 HA VAL A 71 46.549 -14.225 6.331 1.00 1.00 H new ATOM 0 HB VAL A 71 48.836 -14.262 5.155 1.00 1.00 H new ATOM 0 HG11 VAL A 71 50.147 -12.166 5.267 1.00 1.00 H new ATOM 0 HG12 VAL A 71 48.758 -12.011 4.164 1.00 1.00 H new ATOM 0 HG13 VAL A 71 48.690 -11.286 5.788 1.00 1.00 H new ATOM 0 HG21 VAL A 71 50.003 -13.610 7.270 1.00 1.00 H new ATOM 0 HG22 VAL A 71 48.527 -12.778 7.816 1.00 1.00 H new ATOM 0 HG23 VAL A 71 48.527 -14.546 7.609 1.00 1.00 H new ATOM 964 N ASP A 72 45.943 -11.227 5.323 1.00 1.00 N ATOM 965 CA ASP A 72 45.389 -9.936 5.724 1.00 1.00 C ATOM 966 C ASP A 72 46.251 -9.283 6.807 1.00 1.00 C ATOM 967 O ASP A 72 45.768 -8.977 7.897 1.00 1.00 O ATOM 968 CB ASP A 72 43.961 -10.123 6.243 1.00 1.00 C ATOM 969 CG ASP A 72 43.222 -8.788 6.248 1.00 1.00 C ATOM 970 OD1 ASP A 72 43.140 -8.176 5.196 1.00 1.00 O ATOM 971 OD2 ASP A 72 42.745 -8.400 7.302 1.00 1.00 O ATOM 0 H ASP A 72 45.968 -11.384 4.316 1.00 1.00 H new ATOM 0 HA ASP A 72 45.378 -9.282 4.852 1.00 1.00 H new ATOM 0 HB2 ASP A 72 43.429 -10.839 5.616 1.00 1.00 H new ATOM 0 HB3 ASP A 72 43.984 -10.538 7.251 1.00 1.00 H new ATOM 976 N ASP A 73 47.532 -9.070 6.495 1.00 1.00 N ATOM 977 CA ASP A 73 48.474 -8.452 7.435 1.00 1.00 C ATOM 978 C ASP A 73 48.737 -6.997 7.050 1.00 1.00 C ATOM 979 O ASP A 73 49.788 -6.439 7.362 1.00 1.00 O ATOM 980 CB ASP A 73 49.796 -9.224 7.451 1.00 1.00 C ATOM 981 CG ASP A 73 50.752 -8.603 8.463 1.00 1.00 C ATOM 982 OD1 ASP A 73 50.301 -7.785 9.248 1.00 1.00 O ATOM 983 OD2 ASP A 73 51.919 -8.955 8.440 1.00 1.00 O ATOM 0 H ASP A 73 47.943 -9.317 5.595 1.00 1.00 H new ATOM 0 HA ASP A 73 48.030 -8.482 8.430 1.00 1.00 H new ATOM 0 HB2 ASP A 73 49.613 -10.268 7.705 1.00 1.00 H new ATOM 0 HB3 ASP A 73 50.246 -9.211 6.458 1.00 1.00 H new ATOM 988 N LEU A 74 47.779 -6.394 6.359 1.00 1.00 N ATOM 989 CA LEU A 74 47.921 -5.010 5.919 1.00 1.00 C ATOM 990 C LEU A 74 48.219 -4.090 7.104 1.00 1.00 C ATOM 991 O LEU A 74 48.741 -2.992 6.928 1.00 1.00 O ATOM 992 CB LEU A 74 46.642 -4.558 5.181 1.00 1.00 C ATOM 993 CG LEU A 74 45.517 -4.171 6.185 1.00 1.00 C ATOM 994 CD1 LEU A 74 45.488 -2.650 6.396 1.00 1.00 C ATOM 995 CD2 LEU A 74 44.151 -4.613 5.638 1.00 1.00 C ATOM 0 H LEU A 74 46.900 -6.837 6.092 1.00 1.00 H new ATOM 0 HA LEU A 74 48.763 -4.947 5.230 1.00 1.00 H new ATOM 0 HB2 LEU A 74 46.871 -3.706 4.541 1.00 1.00 H new ATOM 0 HB3 LEU A 74 46.292 -5.360 4.531 1.00 1.00 H new ATOM 0 HG LEU A 74 45.720 -4.669 7.133 1.00 1.00 H new ATOM 0 HD11 LEU A 74 44.696 -2.395 7.100 1.00 1.00 H new ATOM 0 HD12 LEU A 74 46.448 -2.319 6.794 1.00 1.00 H new ATOM 0 HD13 LEU A 74 45.300 -2.154 5.444 1.00 1.00 H new ATOM 0 HD21 LEU A 74 43.369 -4.339 6.346 1.00 1.00 H new ATOM 0 HD22 LEU A 74 43.965 -4.121 4.683 1.00 1.00 H new ATOM 0 HD23 LEU A 74 44.148 -5.694 5.496 1.00 1.00 H new ATOM 1007 N VAL A 75 47.895 -4.542 8.307 1.00 1.00 N ATOM 1008 CA VAL A 75 48.147 -3.741 9.501 1.00 1.00 C ATOM 1009 C VAL A 75 49.635 -3.483 9.649 1.00 1.00 C ATOM 1010 O VAL A 75 50.052 -2.581 10.375 1.00 1.00 O ATOM 1011 CB VAL A 75 47.616 -4.465 10.740 1.00 1.00 C ATOM 1012 CG1 VAL A 75 47.996 -3.683 12.000 1.00 1.00 C ATOM 1013 CG2 VAL A 75 46.092 -4.576 10.648 1.00 1.00 C ATOM 0 H VAL A 75 47.462 -5.448 8.484 1.00 1.00 H new ATOM 0 HA VAL A 75 47.630 -2.786 9.401 1.00 1.00 H new ATOM 0 HB VAL A 75 48.054 -5.462 10.791 1.00 1.00 H new ATOM 0 HG11 VAL A 75 47.616 -4.203 12.879 1.00 1.00 H new ATOM 0 HG12 VAL A 75 49.081 -3.605 12.066 1.00 1.00 H new ATOM 0 HG13 VAL A 75 47.562 -2.684 11.953 1.00 1.00 H new ATOM 0 HG21 VAL A 75 45.711 -5.091 11.530 1.00 1.00 H new ATOM 0 HG22 VAL A 75 45.657 -3.578 10.595 1.00 1.00 H new ATOM 0 HG23 VAL A 75 45.821 -5.138 9.754 1.00 1.00 H new ATOM 1023 N ASP A 76 50.428 -4.282 8.955 1.00 1.00 N ATOM 1024 CA ASP A 76 51.872 -4.143 9.003 1.00 1.00 C ATOM 1025 C ASP A 76 52.327 -2.992 8.117 1.00 1.00 C ATOM 1026 O ASP A 76 53.518 -2.694 8.035 1.00 1.00 O ATOM 1027 CB ASP A 76 52.533 -5.442 8.553 1.00 1.00 C ATOM 1028 CG ASP A 76 52.329 -5.652 7.054 1.00 1.00 C ATOM 1029 OD1 ASP A 76 51.606 -4.872 6.457 1.00 1.00 O ATOM 1030 OD2 ASP A 76 52.899 -6.593 6.527 1.00 1.00 O ATOM 0 H ASP A 76 50.095 -5.034 8.352 1.00 1.00 H new ATOM 0 HA ASP A 76 52.168 -3.927 10.030 1.00 1.00 H new ATOM 0 HB2 ASP A 76 53.599 -5.413 8.781 1.00 1.00 H new ATOM 0 HB3 ASP A 76 52.112 -6.282 9.105 1.00 1.00 H new ATOM 1035 N SER A 77 51.370 -2.343 7.454 1.00 1.00 N ATOM 1036 CA SER A 77 51.691 -1.217 6.578 1.00 1.00 C ATOM 1037 C SER A 77 52.628 -0.247 7.289 1.00 1.00 C ATOM 1038 O SER A 77 53.182 0.664 6.674 1.00 1.00 O ATOM 1039 CB SER A 77 50.417 -0.481 6.161 1.00 1.00 C ATOM 1040 OG SER A 77 49.569 -1.374 5.455 1.00 1.00 O ATOM 0 H SER A 77 50.378 -2.574 7.505 1.00 1.00 H new ATOM 0 HA SER A 77 52.183 -1.607 5.687 1.00 1.00 H new ATOM 0 HB2 SER A 77 49.903 -0.092 7.040 1.00 1.00 H new ATOM 0 HB3 SER A 77 50.666 0.375 5.533 1.00 1.00 H new ATOM 0 HG SER A 77 49.006 -1.863 6.091 1.00 1.00 H new ATOM 1046 N LEU A 78 52.800 -0.460 8.589 1.00 1.00 N ATOM 1047 CA LEU A 78 53.672 0.378 9.397 1.00 1.00 C ATOM 1048 C LEU A 78 53.103 1.788 9.477 1.00 1.00 C ATOM 1049 O LEU A 78 53.765 2.770 9.142 1.00 1.00 O ATOM 1050 CB LEU A 78 55.113 0.370 8.797 1.00 1.00 C ATOM 1051 CG LEU A 78 56.099 -0.362 9.731 1.00 1.00 C ATOM 1052 CD1 LEU A 78 57.305 -0.870 8.930 1.00 1.00 C ATOM 1053 CD2 LEU A 78 56.585 0.606 10.822 1.00 1.00 C ATOM 0 H LEU A 78 52.343 -1.211 9.106 1.00 1.00 H new ATOM 0 HA LEU A 78 53.729 -0.016 10.412 1.00 1.00 H new ATOM 0 HB2 LEU A 78 55.102 -0.117 7.822 1.00 1.00 H new ATOM 0 HB3 LEU A 78 55.450 1.394 8.638 1.00 1.00 H new ATOM 0 HG LEU A 78 55.591 -1.210 10.189 1.00 1.00 H new ATOM 0 HD11 LEU A 78 57.995 -1.385 9.598 1.00 1.00 H new ATOM 0 HD12 LEU A 78 56.964 -1.560 8.158 1.00 1.00 H new ATOM 0 HD13 LEU A 78 57.814 -0.026 8.464 1.00 1.00 H new ATOM 0 HD21 LEU A 78 57.282 0.090 11.482 1.00 1.00 H new ATOM 0 HD22 LEU A 78 57.087 1.455 10.358 1.00 1.00 H new ATOM 0 HD23 LEU A 78 55.732 0.960 11.400 1.00 1.00 H new ATOM 1065 N LYS A 79 51.864 1.871 9.935 1.00 1.00 N ATOM 1066 CA LYS A 79 51.195 3.172 10.072 1.00 1.00 C ATOM 1067 C LYS A 79 52.170 4.229 10.591 1.00 1.00 C ATOM 1068 O LYS A 79 53.117 3.850 11.261 1.00 1.00 O ATOM 1069 CB LYS A 79 50.003 3.062 11.035 1.00 1.00 C ATOM 1070 CG LYS A 79 50.503 2.690 12.437 1.00 1.00 C ATOM 1071 CD LYS A 79 49.307 2.462 13.363 1.00 1.00 C ATOM 1072 CE LYS A 79 49.803 2.093 14.762 1.00 1.00 C ATOM 1073 NZ LYS A 79 48.631 1.869 15.656 1.00 1.00 N ATOM 1074 OXT LYS A 79 51.954 5.397 10.313 1.00 1.00 O ATOM 0 H LYS A 79 51.300 1.069 10.217 1.00 1.00 H new ATOM 0 HA LYS A 79 50.837 3.472 9.087 1.00 1.00 H new ATOM 0 HB2 LYS A 79 49.463 4.008 11.070 1.00 1.00 H new ATOM 0 HB3 LYS A 79 49.302 2.308 10.677 1.00 1.00 H new ATOM 0 HG2 LYS A 79 51.116 1.790 12.389 1.00 1.00 H new ATOM 0 HG3 LYS A 79 51.135 3.485 12.832 1.00 1.00 H new ATOM 0 HD2 LYS A 79 48.694 3.362 13.409 1.00 1.00 H new ATOM 0 HD3 LYS A 79 48.676 1.666 12.969 1.00 1.00 H new ATOM 0 HE2 LYS A 79 50.418 1.194 14.717 1.00 1.00 H new ATOM 0 HE3 LYS A 79 50.432 2.890 15.160 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 48.964 1.618 16.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 48.062 2.738 15.706 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 48.049 1.095 15.278 1.00 1.00 H new TER 1088 LYS A 79