USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 800 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 LYS NZ :NH3+ 143:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.16 K(o=2.3,f=-4.9!) USER MOD Set 2.1: A 11 CYS SG : rot -120:sc= -7.32! USER MOD Set 2.2: A 17 HIS : no HD1:sc= -1.19! C(o=-8.5!,f=-21!) USER MOD Set 3.1: A 9 CYS SG : rot -34:sc= 0.796 USER MOD Set 3.2: A 64 SER OG : rot 8:sc= 1.2 USER MOD Single : A 3 LYS NZ :NH3+ -139:sc= 0.0546 (180deg=-0.0409) USER MOD Single : A 4 LYS NZ :NH3+ 139:sc= 1.84 (180deg=-0.106) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -16:sc=-0.00559 USER MOD Single : A 20 MET CE :methyl -127:sc= -0.82 (180deg=-1.69) USER MOD Single : A 23 GLN : amide:sc= -0.83 K(o=-0.83,f=-4.8!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.804 USER MOD Single : A 40 THR OG1 : rot -120:sc= -1.58! USER MOD Single : A 41 GLN : amide:sc= -2.91 K(o=-2.9,f=-4.5!) USER MOD Single : A 47 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.051) USER MOD Single : A 51 THR OG1 : rot -56:sc= 0.656 USER MOD Single : A 53 GLN : amide:sc= 0.0158 X(o=0.016,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 63 HIS : no HD1:sc= -0.26 K(o=-0.26,f=-1.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.665 K(o=0.66,f=-0.023) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.759 X(o=-0.76,f=-0.34) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.831) USER MOD Single : A 102 MET CE :methyl 180:sc= -1.02 (180deg=-1.02) USER MOD Single : A 105 SER OG : rot 87:sc= 0.861 USER MOD Single : A 107 GLN : amide:sc= -0.363 K(o=-0.36,f=-2.8!) USER MOD Single : A 108 GLN :FLIP amide:sc=-0.00858 F(o=-1.9!,f=-0.0086) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 7.648 -1.048 -1.605 1.00 0.00 N ATOM 30 CA LYS A 3 8.958 -1.004 -0.934 1.00 0.00 C ATOM 31 C LYS A 3 9.988 -1.853 -1.700 1.00 0.00 C ATOM 32 O LYS A 3 9.629 -2.731 -2.502 1.00 0.00 O ATOM 33 CB LYS A 3 8.816 -1.460 0.538 1.00 0.00 C ATOM 34 CG LYS A 3 8.030 -2.763 0.710 1.00 0.00 C ATOM 35 CD LYS A 3 7.757 -3.099 2.191 1.00 0.00 C ATOM 36 CE LYS A 3 7.064 -4.451 2.366 1.00 0.00 C ATOM 37 NZ LYS A 3 5.738 -4.494 1.697 1.00 0.00 N ATOM 0 HA LYS A 3 9.324 0.023 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.810 -1.587 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.323 -0.672 1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.082 -2.684 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.585 -3.581 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.699 -3.104 2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.137 -2.317 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.699 -5.238 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.940 -4.658 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.057 -4.989 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.405 -3.524 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.822 -4.999 0.792 1.00 0.00 H new ATOM 51 N LYS A 4 11.270 -1.600 -1.419 1.00 0.00 N ATOM 52 CA LYS A 4 12.382 -2.150 -2.202 1.00 0.00 C ATOM 53 C LYS A 4 13.548 -2.456 -1.236 1.00 0.00 C ATOM 54 O LYS A 4 13.806 -1.716 -0.294 1.00 0.00 O ATOM 55 CB LYS A 4 12.789 -1.129 -3.324 1.00 0.00 C ATOM 56 CG LYS A 4 13.334 -1.719 -4.654 1.00 0.00 C ATOM 57 CD LYS A 4 14.698 -2.417 -4.524 1.00 0.00 C ATOM 58 CE LYS A 4 15.172 -3.062 -5.837 1.00 0.00 C ATOM 59 NZ LYS A 4 15.222 -2.094 -6.959 1.00 0.00 N ATOM 0 H LYS A 4 11.566 -1.008 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 4 12.095 -3.076 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.917 -0.518 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.547 -0.461 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.609 -2.433 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.418 -0.916 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.441 -1.691 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.635 -3.183 -3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.162 -3.494 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.502 -3.882 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.079 -2.261 -7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.382 -2.216 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.240 -1.125 -6.581 1.00 0.00 H new ATOM 73 N LEU A 5 14.213 -3.571 -1.469 1.00 0.00 N ATOM 74 CA LEU A 5 15.366 -4.030 -0.699 1.00 0.00 C ATOM 75 C LEU A 5 16.446 -4.435 -1.687 1.00 0.00 C ATOM 76 O LEU A 5 16.165 -5.072 -2.702 1.00 0.00 O ATOM 77 CB LEU A 5 14.943 -5.212 0.223 1.00 0.00 C ATOM 78 CG LEU A 5 16.035 -5.831 1.174 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.367 -6.473 2.407 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.944 -6.883 0.469 1.00 0.00 C ATOM 0 H LEU A 5 13.961 -4.208 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 5 15.753 -3.243 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.113 -4.872 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.560 -6.011 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 5 16.678 -5.005 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.133 -6.897 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 5 14.807 -5.714 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.688 -7.262 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.673 -7.269 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.330 -7.704 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.465 -6.413 -0.365 1.00 0.00 H new ATOM 92 N ILE A 6 17.675 -4.046 -1.404 1.00 0.00 N ATOM 93 CA ILE A 6 18.837 -4.467 -2.180 1.00 0.00 C ATOM 94 C ILE A 6 19.880 -5.028 -1.216 1.00 0.00 C ATOM 95 O ILE A 6 19.821 -4.779 0.001 1.00 0.00 O ATOM 96 CB ILE A 6 19.437 -3.296 -3.046 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.187 -2.242 -2.183 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.330 -2.623 -3.895 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.818 -1.115 -2.978 1.00 0.00 C ATOM 0 H ILE A 6 17.901 -3.426 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 6 18.528 -5.235 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 6 20.174 -3.739 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.488 -1.816 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.965 -2.747 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.764 -1.817 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.883 -3.361 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.562 -2.217 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.320 -0.426 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.544 -1.526 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.044 -0.581 -3.529 1.00 0.00 H new ATOM 111 N ALA A 7 20.814 -5.798 -1.755 1.00 0.00 N ATOM 112 CA ALA A 7 21.911 -6.376 -0.978 1.00 0.00 C ATOM 113 C ALA A 7 23.166 -6.481 -1.844 1.00 0.00 C ATOM 114 O ALA A 7 23.106 -6.316 -3.064 1.00 0.00 O ATOM 115 CB ALA A 7 21.507 -7.741 -0.385 1.00 0.00 C ATOM 0 H ALA A 7 20.836 -6.043 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 7 22.135 -5.718 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.339 -8.150 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.645 -7.613 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.251 -8.427 -1.192 1.00 0.00 H new ATOM 121 N LEU A 8 24.296 -6.759 -1.199 1.00 0.00 N ATOM 122 CA LEU A 8 25.592 -6.867 -1.859 1.00 0.00 C ATOM 123 C LEU A 8 26.347 -8.007 -1.183 1.00 0.00 C ATOM 124 O LEU A 8 26.690 -7.915 0.002 1.00 0.00 O ATOM 125 CB LEU A 8 26.382 -5.519 -1.766 1.00 0.00 C ATOM 126 CG LEU A 8 27.502 -5.268 -2.839 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.059 -3.836 -2.723 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.651 -6.300 -2.765 1.00 0.00 C ATOM 0 H LEU A 8 24.337 -6.917 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 8 25.468 -7.076 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.664 -4.701 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.841 -5.464 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 8 27.029 -5.391 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.833 -3.685 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.254 -3.118 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.485 -3.691 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.393 -6.074 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.119 -6.254 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.252 -7.301 -2.931 1.00 0.00 H new ATOM 140 N CYS A 9 26.579 -9.072 -1.939 1.00 0.00 N ATOM 141 CA CYS A 9 27.333 -10.229 -1.491 1.00 0.00 C ATOM 142 C CYS A 9 28.743 -10.174 -2.109 1.00 0.00 C ATOM 143 O CYS A 9 28.880 -10.315 -3.319 1.00 0.00 O ATOM 144 CB CYS A 9 26.568 -11.501 -1.894 1.00 0.00 C ATOM 145 SG CYS A 9 24.849 -11.537 -1.331 1.00 0.00 S ATOM 0 H CYS A 9 26.241 -9.155 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 9 27.446 -10.235 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.586 -11.594 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.090 -12.369 -1.491 1.00 0.00 H new ATOM 0 HG CYS A 9 24.758 -10.946 -0.177 1.00 0.00 H new ATOM 151 N ALA A 10 29.788 -9.947 -1.279 1.00 0.00 N ATOM 152 CA ALA A 10 31.196 -9.822 -1.773 1.00 0.00 C ATOM 153 C ALA A 10 32.127 -10.843 -1.087 1.00 0.00 C ATOM 154 O ALA A 10 32.159 -10.926 0.143 1.00 0.00 O ATOM 155 CB ALA A 10 31.734 -8.388 -1.595 1.00 0.00 C ATOM 0 H ALA A 10 29.693 -9.846 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 10 31.181 -10.043 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.758 -8.335 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.110 -7.693 -2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.715 -8.121 -0.538 1.00 0.00 H new ATOM 161 N CYS A 11 32.871 -11.625 -1.895 1.00 0.00 N ATOM 162 CA CYS A 11 33.798 -12.671 -1.406 1.00 0.00 C ATOM 163 C CYS A 11 35.188 -12.557 -2.065 1.00 0.00 C ATOM 164 O CYS A 11 35.287 -12.202 -3.245 1.00 0.00 O ATOM 165 CB CYS A 11 33.224 -14.079 -1.677 1.00 0.00 C ATOM 166 SG CYS A 11 31.898 -14.544 -0.564 1.00 0.00 S ATOM 0 H CYS A 11 32.847 -11.550 -2.912 1.00 0.00 H new ATOM 0 HA CYS A 11 33.909 -12.520 -0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.857 -14.121 -2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 11 34.028 -14.811 -1.596 1.00 0.00 H new ATOM 0 HG CYS A 11 32.237 -15.615 0.091 1.00 0.00 H new ATOM 172 N PRO A 12 36.285 -12.882 -1.303 1.00 0.00 N ATOM 173 CA PRO A 12 37.634 -13.075 -1.879 1.00 0.00 C ATOM 174 C PRO A 12 37.778 -14.477 -2.532 1.00 0.00 C ATOM 175 O PRO A 12 38.548 -14.640 -3.485 1.00 0.00 O ATOM 176 CB PRO A 12 38.560 -12.904 -0.645 1.00 0.00 C ATOM 177 CG PRO A 12 37.740 -13.403 0.511 1.00 0.00 C ATOM 178 CD PRO A 12 36.296 -13.056 0.182 1.00 0.00 C ATOM 0 HA PRO A 12 37.868 -12.378 -2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.480 -13.478 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.849 -11.862 -0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.863 -14.478 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.052 -12.931 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.616 -13.848 0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 12 35.980 -12.146 0.691 1.00 0.00 H new ATOM 186 N MET A 13 37.006 -15.469 -2.016 1.00 0.00 N ATOM 187 CA MET A 13 37.007 -16.863 -2.514 1.00 0.00 C ATOM 188 C MET A 13 36.368 -16.943 -3.908 1.00 0.00 C ATOM 189 O MET A 13 36.949 -17.526 -4.831 1.00 0.00 O ATOM 190 CB MET A 13 36.262 -17.791 -1.510 1.00 0.00 C ATOM 191 CG MET A 13 36.071 -19.253 -1.973 1.00 0.00 C ATOM 192 SD MET A 13 37.626 -20.065 -2.408 1.00 0.00 S ATOM 193 CE MET A 13 37.084 -21.734 -2.798 1.00 0.00 C ATOM 0 H MET A 13 36.363 -15.319 -1.238 1.00 0.00 H new ATOM 0 HA MET A 13 38.040 -17.202 -2.599 1.00 0.00 H new ATOM 0 HB2 MET A 13 36.812 -17.795 -0.569 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.281 -17.362 -1.304 1.00 0.00 H new ATOM 0 HG2 MET A 13 35.582 -19.818 -1.180 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.404 -19.271 -2.835 1.00 0.00 H new ATOM 0 HE1 MET A 13 37.945 -22.339 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 13 36.604 -22.174 -1.924 1.00 0.00 H new ATOM 0 HE3 MET A 13 36.374 -21.702 -3.625 1.00 0.00 H new ATOM 203 N GLY A 14 35.163 -16.362 -4.047 1.00 0.00 N ATOM 204 CA GLY A 14 34.495 -16.288 -5.346 1.00 0.00 C ATOM 205 C GLY A 14 32.984 -16.157 -5.262 1.00 0.00 C ATOM 206 O GLY A 14 32.402 -16.109 -4.164 1.00 0.00 O ATOM 0 H GLY A 14 34.640 -15.942 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.892 -15.436 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.740 -17.182 -5.919 1.00 0.00 H new ATOM 210 N LEU A 15 32.350 -16.156 -6.448 1.00 0.00 N ATOM 211 CA LEU A 15 30.913 -15.885 -6.612 1.00 0.00 C ATOM 212 C LEU A 15 30.016 -17.044 -6.146 1.00 0.00 C ATOM 213 O LEU A 15 28.846 -16.815 -5.872 1.00 0.00 O ATOM 214 CB LEU A 15 30.595 -15.506 -8.082 1.00 0.00 C ATOM 215 CG LEU A 15 31.135 -14.124 -8.566 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.770 -13.863 -10.049 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.618 -12.988 -7.652 1.00 0.00 C ATOM 0 H LEU A 15 32.828 -16.346 -7.329 1.00 0.00 H new ATOM 0 HA LEU A 15 30.684 -15.040 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.002 -16.280 -8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.513 -15.517 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 15 32.223 -14.145 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.161 -12.892 -10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.206 -14.643 -10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.686 -13.870 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.005 -12.032 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.528 -12.969 -7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.956 -13.161 -6.630 1.00 0.00 H new ATOM 229 N ALA A 16 30.551 -18.268 -6.046 1.00 0.00 N ATOM 230 CA ALA A 16 29.781 -19.429 -5.537 1.00 0.00 C ATOM 231 C ALA A 16 29.272 -19.158 -4.100 1.00 0.00 C ATOM 232 O ALA A 16 28.103 -19.422 -3.769 1.00 0.00 O ATOM 233 CB ALA A 16 30.634 -20.703 -5.592 1.00 0.00 C ATOM 0 H ALA A 16 31.512 -18.488 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 16 28.911 -19.577 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.054 -21.546 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.930 -20.898 -6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.525 -20.571 -4.977 1.00 0.00 H new ATOM 239 N HIS A 17 30.160 -18.576 -3.276 1.00 0.00 N ATOM 240 CA HIS A 17 29.847 -18.209 -1.889 1.00 0.00 C ATOM 241 C HIS A 17 28.801 -17.071 -1.870 1.00 0.00 C ATOM 242 O HIS A 17 27.816 -17.124 -1.108 1.00 0.00 O ATOM 243 CB HIS A 17 31.150 -17.791 -1.156 1.00 0.00 C ATOM 244 CG HIS A 17 31.069 -17.778 0.353 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.775 -16.895 1.141 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.377 -18.560 1.219 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.530 -17.139 2.412 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.682 -18.142 2.488 1.00 0.00 N ATOM 0 H HIS A 17 31.114 -18.348 -3.555 1.00 0.00 H new ATOM 0 HA HIS A 17 29.421 -19.066 -1.367 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.948 -18.470 -1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.435 -16.795 -1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.707 -19.366 0.956 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.954 -16.606 3.250 1.00 0.00 H new ATOM 0 HE2 HIS A 17 30.312 -18.543 3.350 1.00 0.00 H new ATOM 257 N THR A 18 29.007 -16.075 -2.763 1.00 0.00 N ATOM 258 CA THR A 18 28.138 -14.890 -2.857 1.00 0.00 C ATOM 259 C THR A 18 26.721 -15.264 -3.322 1.00 0.00 C ATOM 260 O THR A 18 25.764 -14.601 -2.949 1.00 0.00 O ATOM 261 CB THR A 18 28.716 -13.794 -3.822 1.00 0.00 C ATOM 262 OG1 THR A 18 28.690 -14.228 -5.183 1.00 0.00 O ATOM 263 CG2 THR A 18 30.152 -13.405 -3.467 1.00 0.00 C ATOM 0 H THR A 18 29.777 -16.074 -3.432 1.00 0.00 H new ATOM 0 HA THR A 18 28.095 -14.476 -1.849 1.00 0.00 H new ATOM 0 HB THR A 18 28.072 -12.923 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.567 -15.200 -5.214 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.506 -12.645 -4.163 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.181 -13.009 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.794 -14.284 -3.533 1.00 0.00 H new ATOM 271 N PHE A 19 26.610 -16.322 -4.154 1.00 0.00 N ATOM 272 CA PHE A 19 25.318 -16.778 -4.696 1.00 0.00 C ATOM 273 C PHE A 19 24.490 -17.498 -3.624 1.00 0.00 C ATOM 274 O PHE A 19 23.272 -17.401 -3.651 1.00 0.00 O ATOM 275 CB PHE A 19 25.495 -17.681 -5.947 1.00 0.00 C ATOM 276 CG PHE A 19 26.048 -16.986 -7.199 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.798 -15.633 -7.448 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.798 -17.697 -8.140 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.295 -15.018 -8.581 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.291 -17.079 -9.272 1.00 0.00 C ATOM 281 CZ PHE A 19 27.034 -15.742 -9.495 1.00 0.00 C ATOM 0 H PHE A 19 27.407 -16.877 -4.465 1.00 0.00 H new ATOM 0 HA PHE A 19 24.775 -15.886 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.161 -18.504 -5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.528 -18.120 -6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.209 -15.062 -6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 19 26.995 -18.747 -7.979 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.105 -13.969 -8.752 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.878 -17.642 -9.983 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.411 -15.261 -10.385 1.00 0.00 H new ATOM 291 N MET A 20 25.150 -18.220 -2.688 1.00 0.00 N ATOM 292 CA MET A 20 24.439 -18.829 -1.526 1.00 0.00 C ATOM 293 C MET A 20 23.855 -17.737 -0.605 1.00 0.00 C ATOM 294 O MET A 20 22.761 -17.895 -0.042 1.00 0.00 O ATOM 295 CB MET A 20 25.356 -19.779 -0.710 1.00 0.00 C ATOM 296 CG MET A 20 25.808 -21.032 -1.465 1.00 0.00 C ATOM 297 SD MET A 20 26.630 -22.240 -0.397 1.00 0.00 S ATOM 298 CE MET A 20 27.981 -21.271 0.270 1.00 0.00 C ATOM 0 H MET A 20 26.154 -18.396 -2.708 1.00 0.00 H new ATOM 0 HA MET A 20 23.623 -19.426 -1.933 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.239 -19.225 -0.391 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.828 -20.085 0.193 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.942 -21.499 -1.934 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.487 -20.742 -2.267 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.922 -21.795 0.103 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.013 -20.301 -0.227 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.831 -21.126 1.340 1.00 0.00 H new ATOM 308 N ALA A 21 24.597 -16.629 -0.483 1.00 0.00 N ATOM 309 CA ALA A 21 24.170 -15.461 0.311 1.00 0.00 C ATOM 310 C ALA A 21 23.012 -14.752 -0.385 1.00 0.00 C ATOM 311 O ALA A 21 21.976 -14.492 0.223 1.00 0.00 O ATOM 312 CB ALA A 21 25.340 -14.502 0.517 1.00 0.00 C ATOM 0 H ALA A 21 25.507 -16.513 -0.928 1.00 0.00 H new ATOM 0 HA ALA A 21 23.832 -15.804 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 21 25.009 -13.645 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.143 -15.016 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.704 -14.159 -0.451 1.00 0.00 H new ATOM 318 N ALA A 22 23.203 -14.505 -1.690 1.00 0.00 N ATOM 319 CA ALA A 22 22.253 -13.787 -2.542 1.00 0.00 C ATOM 320 C ALA A 22 20.938 -14.553 -2.659 1.00 0.00 C ATOM 321 O ALA A 22 19.875 -13.954 -2.712 1.00 0.00 O ATOM 322 CB ALA A 22 22.860 -13.561 -3.936 1.00 0.00 C ATOM 0 H ALA A 22 24.040 -14.806 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 22 22.045 -12.821 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.145 -13.026 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.773 -12.973 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.093 -14.523 -4.392 1.00 0.00 H new ATOM 328 N GLN A 23 21.027 -15.889 -2.696 1.00 0.00 N ATOM 329 CA GLN A 23 19.856 -16.751 -2.881 1.00 0.00 C ATOM 330 C GLN A 23 18.986 -16.729 -1.618 1.00 0.00 C ATOM 331 O GLN A 23 17.762 -16.638 -1.703 1.00 0.00 O ATOM 332 CB GLN A 23 20.280 -18.196 -3.272 1.00 0.00 C ATOM 333 CG GLN A 23 20.606 -19.170 -2.123 1.00 0.00 C ATOM 334 CD GLN A 23 20.975 -20.562 -2.632 1.00 0.00 C ATOM 335 OE1 GLN A 23 22.145 -20.859 -2.878 1.00 0.00 O ATOM 336 NE2 GLN A 23 19.979 -21.417 -2.798 1.00 0.00 N ATOM 0 H GLN A 23 21.906 -16.398 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 23 19.259 -16.365 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.479 -18.633 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.157 -18.128 -3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 23 21.431 -18.770 -1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 23 19.746 -19.245 -1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.023 -21.134 -2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.167 -22.359 -3.141 1.00 0.00 H new ATOM 345 N ALA A 24 19.653 -16.763 -0.448 1.00 0.00 N ATOM 346 CA ALA A 24 18.987 -16.788 0.853 1.00 0.00 C ATOM 347 C ALA A 24 18.373 -15.412 1.184 1.00 0.00 C ATOM 348 O ALA A 24 17.254 -15.334 1.713 1.00 0.00 O ATOM 349 CB ALA A 24 19.992 -17.248 1.921 1.00 0.00 C ATOM 0 H ALA A 24 20.671 -16.774 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 24 18.160 -17.497 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.503 -17.270 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.354 -18.246 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 24 20.833 -16.555 1.952 1.00 0.00 H new ATOM 355 N LEU A 25 19.107 -14.333 0.826 1.00 0.00 N ATOM 356 CA LEU A 25 18.668 -12.937 1.072 1.00 0.00 C ATOM 357 C LEU A 25 17.513 -12.560 0.144 1.00 0.00 C ATOM 358 O LEU A 25 16.647 -11.765 0.524 1.00 0.00 O ATOM 359 CB LEU A 25 19.826 -11.919 0.881 1.00 0.00 C ATOM 360 CG LEU A 25 20.990 -11.984 1.913 1.00 0.00 C ATOM 361 CD1 LEU A 25 22.052 -10.912 1.599 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.476 -11.854 3.369 1.00 0.00 C ATOM 0 H LEU A 25 20.013 -14.403 0.362 1.00 0.00 H new ATOM 0 HA LEU A 25 18.337 -12.892 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.245 -12.063 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.404 -10.914 0.907 1.00 0.00 H new ATOM 0 HG LEU A 25 21.456 -12.965 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.858 -10.973 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.455 -11.081 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.595 -9.923 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.319 -11.904 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.964 -10.899 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.783 -12.667 3.584 1.00 0.00 H new ATOM 374 N GLU A 26 17.536 -13.122 -1.083 1.00 0.00 N ATOM 375 CA GLU A 26 16.483 -12.909 -2.081 1.00 0.00 C ATOM 376 C GLU A 26 15.157 -13.429 -1.531 1.00 0.00 C ATOM 377 O GLU A 26 14.207 -12.665 -1.395 1.00 0.00 O ATOM 378 CB GLU A 26 16.840 -13.611 -3.423 1.00 0.00 C ATOM 379 CG GLU A 26 15.826 -13.385 -4.563 1.00 0.00 C ATOM 380 CD GLU A 26 16.224 -14.079 -5.874 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.035 -13.516 -6.637 1.00 0.00 O ATOM 382 OE2 GLU A 26 15.732 -15.194 -6.149 1.00 0.00 O ATOM 0 H GLU A 26 18.287 -13.734 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 26 16.393 -11.842 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.818 -13.260 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.930 -14.682 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.848 -13.750 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.724 -12.315 -4.743 1.00 0.00 H new ATOM 389 N GLU A 27 15.158 -14.721 -1.139 1.00 0.00 N ATOM 390 CA GLU A 27 13.968 -15.416 -0.613 1.00 0.00 C ATOM 391 C GLU A 27 13.395 -14.670 0.596 1.00 0.00 C ATOM 392 O GLU A 27 12.206 -14.380 0.635 1.00 0.00 O ATOM 393 CB GLU A 27 14.315 -16.880 -0.221 1.00 0.00 C ATOM 394 CG GLU A 27 14.805 -17.746 -1.396 1.00 0.00 C ATOM 395 CD GLU A 27 15.093 -19.207 -1.013 1.00 0.00 C ATOM 396 OE1 GLU A 27 16.238 -19.516 -0.616 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.180 -20.056 -1.125 1.00 0.00 O ATOM 0 H GLU A 27 15.988 -15.312 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 27 13.214 -15.435 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.084 -16.865 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.433 -17.346 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.054 -17.729 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.711 -17.303 -1.808 1.00 0.00 H new ATOM 404 N ALA A 28 14.287 -14.320 1.535 1.00 0.00 N ATOM 405 CA ALA A 28 13.944 -13.599 2.772 1.00 0.00 C ATOM 406 C ALA A 28 13.229 -12.266 2.471 1.00 0.00 C ATOM 407 O ALA A 28 12.190 -11.965 3.060 1.00 0.00 O ATOM 408 CB ALA A 28 15.219 -13.357 3.589 1.00 0.00 C ATOM 0 H ALA A 28 15.281 -14.533 1.456 1.00 0.00 H new ATOM 0 HA ALA A 28 13.253 -14.212 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.968 -12.823 4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.677 -14.314 3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.919 -12.762 3.003 1.00 0.00 H new ATOM 414 N ALA A 29 13.805 -11.497 1.528 1.00 0.00 N ATOM 415 CA ALA A 29 13.268 -10.195 1.075 1.00 0.00 C ATOM 416 C ALA A 29 11.973 -10.319 0.232 1.00 0.00 C ATOM 417 O ALA A 29 11.198 -9.355 0.148 1.00 0.00 O ATOM 418 CB ALA A 29 14.336 -9.446 0.284 1.00 0.00 C ATOM 0 H ALA A 29 14.667 -11.763 1.052 1.00 0.00 H new ATOM 0 HA ALA A 29 12.998 -9.638 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.937 -8.487 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.207 -9.277 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.628 -10.038 -0.583 1.00 0.00 H new ATOM 424 N VAL A 30 11.740 -11.499 -0.373 1.00 0.00 N ATOM 425 CA VAL A 30 10.548 -11.750 -1.218 1.00 0.00 C ATOM 426 C VAL A 30 9.339 -12.046 -0.310 1.00 0.00 C ATOM 427 O VAL A 30 8.227 -11.554 -0.533 1.00 0.00 O ATOM 428 CB VAL A 30 10.806 -12.943 -2.229 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.505 -13.472 -2.875 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.811 -12.527 -3.330 1.00 0.00 C ATOM 0 H VAL A 30 12.364 -12.302 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 30 10.340 -10.862 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 30 11.231 -13.756 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.743 -14.288 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.834 -13.835 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.019 -12.667 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.971 -13.363 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.412 -11.678 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.759 -12.247 -2.870 1.00 0.00 H new ATOM 440 N GLU A 31 9.611 -12.838 0.735 1.00 0.00 N ATOM 441 CA GLU A 31 8.643 -13.183 1.795 1.00 0.00 C ATOM 442 C GLU A 31 8.393 -11.963 2.701 1.00 0.00 C ATOM 443 O GLU A 31 7.370 -11.869 3.391 1.00 0.00 O ATOM 444 CB GLU A 31 9.204 -14.383 2.604 1.00 0.00 C ATOM 445 CG GLU A 31 9.618 -15.586 1.727 1.00 0.00 C ATOM 446 CD GLU A 31 8.436 -16.333 1.092 1.00 0.00 C ATOM 447 OE1 GLU A 31 7.970 -15.931 0.001 1.00 0.00 O ATOM 448 OE2 GLU A 31 7.950 -17.318 1.688 1.00 0.00 O ATOM 0 H GLU A 31 10.526 -13.267 0.874 1.00 0.00 H new ATOM 0 HA GLU A 31 7.686 -13.466 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.068 -14.050 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.451 -14.710 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.280 -15.235 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.192 -16.285 2.335 1.00 0.00 H new ATOM 455 N ALA A 32 9.364 -11.038 2.677 1.00 0.00 N ATOM 456 CA ALA A 32 9.283 -9.744 3.349 1.00 0.00 C ATOM 457 C ALA A 32 8.366 -8.769 2.585 1.00 0.00 C ATOM 458 O ALA A 32 7.722 -7.902 3.189 1.00 0.00 O ATOM 459 CB ALA A 32 10.686 -9.181 3.493 1.00 0.00 C ATOM 0 H ALA A 32 10.243 -11.177 2.178 1.00 0.00 H new ATOM 0 HA ALA A 32 8.842 -9.879 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.640 -8.214 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.294 -9.867 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.132 -9.058 2.506 1.00 0.00 H new ATOM 465 N GLY A 33 8.330 -8.923 1.250 1.00 0.00 N ATOM 466 CA GLY A 33 7.383 -8.202 0.392 1.00 0.00 C ATOM 467 C GLY A 33 7.969 -6.973 -0.283 1.00 0.00 C ATOM 468 O GLY A 33 7.222 -6.052 -0.652 1.00 0.00 O ATOM 0 H GLY A 33 8.955 -9.548 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.013 -8.883 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.524 -7.900 0.991 1.00 0.00 H new ATOM 472 N TYR A 34 9.304 -6.930 -0.430 1.00 0.00 N ATOM 473 CA TYR A 34 9.980 -5.878 -1.221 1.00 0.00 C ATOM 474 C TYR A 34 10.323 -6.438 -2.606 1.00 0.00 C ATOM 475 O TYR A 34 10.323 -7.663 -2.823 1.00 0.00 O ATOM 476 CB TYR A 34 11.312 -5.368 -0.574 1.00 0.00 C ATOM 477 CG TYR A 34 11.280 -5.031 0.922 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.126 -6.029 1.874 1.00 0.00 C ATOM 479 CD2 TYR A 34 11.396 -3.719 1.375 1.00 0.00 C ATOM 480 CE1 TYR A 34 11.091 -5.731 3.221 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.358 -3.414 2.716 1.00 0.00 C ATOM 482 CZ TYR A 34 11.194 -4.423 3.634 1.00 0.00 C ATOM 483 OH TYR A 34 11.149 -4.124 4.975 1.00 0.00 O ATOM 0 H TYR A 34 9.940 -7.610 -0.013 1.00 0.00 H new ATOM 0 HA TYR A 34 9.288 -5.037 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 34 12.077 -6.128 -0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.631 -4.477 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.032 -7.057 1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.519 -2.922 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.983 -6.522 3.948 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.456 -2.390 3.044 1.00 0.00 H new ATOM 0 HH TYR A 34 11.237 -3.156 5.097 1.00 0.00 H new ATOM 493 N GLU A 35 10.617 -5.527 -3.534 1.00 0.00 N ATOM 494 CA GLU A 35 11.373 -5.854 -4.750 1.00 0.00 C ATOM 495 C GLU A 35 12.838 -6.038 -4.339 1.00 0.00 C ATOM 496 O GLU A 35 13.366 -5.183 -3.653 1.00 0.00 O ATOM 497 CB GLU A 35 11.251 -4.704 -5.766 1.00 0.00 C ATOM 498 CG GLU A 35 12.047 -4.904 -7.067 1.00 0.00 C ATOM 499 CD GLU A 35 11.833 -3.755 -8.059 1.00 0.00 C ATOM 500 OE1 GLU A 35 10.820 -3.765 -8.783 1.00 0.00 O ATOM 501 OE2 GLU A 35 12.660 -2.821 -8.102 1.00 0.00 O ATOM 0 H GLU A 35 10.341 -4.547 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 35 10.987 -6.761 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.199 -4.571 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.585 -3.782 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.108 -4.986 -6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.749 -5.844 -7.532 1.00 0.00 H new ATOM 508 N VAL A 36 13.493 -7.126 -4.742 1.00 0.00 N ATOM 509 CA VAL A 36 14.861 -7.435 -4.270 1.00 0.00 C ATOM 510 C VAL A 36 15.852 -7.490 -5.452 1.00 0.00 C ATOM 511 O VAL A 36 15.550 -8.066 -6.500 1.00 0.00 O ATOM 512 CB VAL A 36 14.885 -8.753 -3.412 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.406 -9.982 -4.209 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.284 -8.987 -2.776 1.00 0.00 C ATOM 0 H VAL A 36 13.108 -7.812 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 36 15.186 -6.627 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 36 14.171 -8.616 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.442 -10.865 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.383 -9.820 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.054 -10.131 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.268 -9.906 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.032 -9.073 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.534 -8.147 -2.128 1.00 0.00 H new ATOM 524 N LYS A 37 17.019 -6.847 -5.276 1.00 0.00 N ATOM 525 CA LYS A 37 18.102 -6.814 -6.277 1.00 0.00 C ATOM 526 C LYS A 37 19.441 -6.925 -5.537 1.00 0.00 C ATOM 527 O LYS A 37 19.734 -6.109 -4.671 1.00 0.00 O ATOM 528 CB LYS A 37 18.049 -5.496 -7.092 1.00 0.00 C ATOM 529 CG LYS A 37 19.118 -5.388 -8.216 1.00 0.00 C ATOM 530 CD LYS A 37 18.810 -6.218 -9.470 1.00 0.00 C ATOM 531 CE LYS A 37 19.994 -6.225 -10.453 1.00 0.00 C ATOM 532 NZ LYS A 37 19.645 -6.852 -11.753 1.00 0.00 N ATOM 0 H LYS A 37 17.240 -6.329 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 37 17.987 -7.643 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.060 -5.400 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.173 -4.656 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.219 -4.342 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.081 -5.703 -7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.572 -7.241 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.928 -5.814 -9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.327 -5.201 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.831 -6.762 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.121 -6.341 -12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.954 -7.845 -11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.615 -6.810 -11.894 1.00 0.00 H new ATOM 546 N ILE A 38 20.237 -7.961 -5.839 1.00 0.00 N ATOM 547 CA ILE A 38 21.506 -8.232 -5.122 1.00 0.00 C ATOM 548 C ILE A 38 22.717 -8.260 -6.077 1.00 0.00 C ATOM 549 O ILE A 38 22.750 -9.044 -7.031 1.00 0.00 O ATOM 550 CB ILE A 38 21.384 -9.592 -4.356 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.114 -9.558 -3.432 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.671 -9.904 -3.533 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.644 -10.895 -2.940 1.00 0.00 C ATOM 0 H ILE A 38 20.029 -8.632 -6.578 1.00 0.00 H new ATOM 0 HA ILE A 38 21.678 -7.420 -4.415 1.00 0.00 H new ATOM 0 HB ILE A 38 21.274 -10.395 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.329 -8.927 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.299 -9.084 -3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.550 -10.855 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.527 -9.963 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.837 -9.112 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.763 -10.762 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.391 -11.527 -3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.436 -11.368 -2.360 1.00 0.00 H new ATOM 565 N GLU A 39 23.704 -7.401 -5.790 1.00 0.00 N ATOM 566 CA GLU A 39 24.987 -7.334 -6.510 1.00 0.00 C ATOM 567 C GLU A 39 25.996 -8.294 -5.869 1.00 0.00 C ATOM 568 O GLU A 39 26.356 -8.134 -4.703 1.00 0.00 O ATOM 569 CB GLU A 39 25.500 -5.875 -6.453 1.00 0.00 C ATOM 570 CG GLU A 39 26.893 -5.611 -7.067 1.00 0.00 C ATOM 571 CD GLU A 39 27.236 -4.113 -7.233 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.408 -3.242 -6.866 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.312 -3.800 -7.778 1.00 0.00 O ATOM 0 H GLU A 39 23.633 -6.718 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 39 24.856 -7.633 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.776 -5.238 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.522 -5.561 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.650 -6.078 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.946 -6.095 -8.042 1.00 0.00 H new ATOM 580 N THR A 40 26.424 -9.308 -6.624 1.00 0.00 N ATOM 581 CA THR A 40 27.421 -10.269 -6.157 1.00 0.00 C ATOM 582 C THR A 40 28.802 -9.932 -6.739 1.00 0.00 C ATOM 583 O THR A 40 29.052 -10.152 -7.928 1.00 0.00 O ATOM 584 CB THR A 40 27.000 -11.720 -6.530 1.00 0.00 C ATOM 585 OG1 THR A 40 26.651 -11.789 -7.914 1.00 0.00 O ATOM 586 CG2 THR A 40 25.819 -12.215 -5.682 1.00 0.00 C ATOM 0 H THR A 40 26.090 -9.484 -7.572 1.00 0.00 H new ATOM 0 HA THR A 40 27.483 -10.205 -5.071 1.00 0.00 H new ATOM 0 HB THR A 40 27.854 -12.366 -6.327 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.720 -12.083 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.560 -13.232 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.097 -12.203 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 40 24.960 -11.562 -5.838 1.00 0.00 H new ATOM 594 N GLN A 41 29.679 -9.369 -5.897 1.00 0.00 N ATOM 595 CA GLN A 41 31.071 -9.066 -6.266 1.00 0.00 C ATOM 596 C GLN A 41 31.987 -10.205 -5.788 1.00 0.00 C ATOM 597 O GLN A 41 31.749 -10.799 -4.732 1.00 0.00 O ATOM 598 CB GLN A 41 31.517 -7.719 -5.647 1.00 0.00 C ATOM 599 CG GLN A 41 30.579 -6.537 -5.963 1.00 0.00 C ATOM 600 CD GLN A 41 31.153 -5.168 -5.585 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.431 -4.277 -5.154 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.451 -4.969 -5.792 1.00 0.00 N ATOM 0 H GLN A 41 29.444 -9.110 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 41 31.141 -8.980 -7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.586 -7.834 -4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.518 -7.480 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.351 -6.542 -7.029 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.637 -6.683 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.032 -5.726 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.866 -4.059 -5.591 1.00 0.00 H new ATOM 611 N GLY A 42 33.019 -10.517 -6.575 1.00 0.00 N ATOM 612 CA GLY A 42 33.963 -11.571 -6.220 1.00 0.00 C ATOM 613 C GLY A 42 35.198 -11.561 -7.091 1.00 0.00 C ATOM 614 O GLY A 42 35.301 -10.753 -8.025 1.00 0.00 O ATOM 0 H GLY A 42 33.219 -10.053 -7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.257 -11.454 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.470 -12.539 -6.306 1.00 0.00 H new ATOM 618 N ALA A 43 36.140 -12.476 -6.785 1.00 0.00 N ATOM 619 CA ALA A 43 37.408 -12.623 -7.530 1.00 0.00 C ATOM 620 C ALA A 43 37.168 -12.978 -9.015 1.00 0.00 C ATOM 621 O ALA A 43 37.976 -12.622 -9.882 1.00 0.00 O ATOM 622 CB ALA A 43 38.292 -13.680 -6.849 1.00 0.00 C ATOM 0 H ALA A 43 36.043 -13.135 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 43 37.923 -11.662 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.225 -13.785 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.509 -13.369 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.770 -14.637 -6.835 1.00 0.00 H new ATOM 628 N ASP A 44 36.042 -13.677 -9.285 1.00 0.00 N ATOM 629 CA ASP A 44 35.587 -13.992 -10.660 1.00 0.00 C ATOM 630 C ASP A 44 35.164 -12.704 -11.388 1.00 0.00 C ATOM 631 O ASP A 44 35.495 -12.499 -12.560 1.00 0.00 O ATOM 632 CB ASP A 44 34.385 -14.979 -10.639 1.00 0.00 C ATOM 633 CG ASP A 44 34.650 -16.247 -9.821 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.521 -16.194 -8.584 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.993 -17.303 -10.398 1.00 0.00 O ATOM 0 H ASP A 44 35.424 -14.038 -8.558 1.00 0.00 H new ATOM 0 HA ASP A 44 36.420 -14.459 -11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.513 -14.468 -10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.139 -15.261 -11.663 1.00 0.00 H new ATOM 640 N GLY A 45 34.446 -11.837 -10.660 1.00 0.00 N ATOM 641 CA GLY A 45 33.900 -10.594 -11.206 1.00 0.00 C ATOM 642 C GLY A 45 32.665 -10.136 -10.449 1.00 0.00 C ATOM 643 O GLY A 45 32.309 -10.709 -9.413 1.00 0.00 O ATOM 0 H GLY A 45 34.229 -11.982 -9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.661 -9.815 -11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.649 -10.739 -12.257 1.00 0.00 H new ATOM 647 N ILE A 46 32.012 -9.085 -10.969 1.00 0.00 N ATOM 648 CA ILE A 46 30.754 -8.554 -10.413 1.00 0.00 C ATOM 649 C ILE A 46 29.577 -9.045 -11.272 1.00 0.00 C ATOM 650 O ILE A 46 29.641 -9.003 -12.511 1.00 0.00 O ATOM 651 CB ILE A 46 30.784 -6.982 -10.345 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.013 -6.508 -9.498 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.459 -6.412 -9.766 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.245 -5.012 -9.484 1.00 0.00 C ATOM 0 H ILE A 46 32.341 -8.577 -11.790 1.00 0.00 H new ATOM 0 HA ILE A 46 30.632 -8.919 -9.393 1.00 0.00 H new ATOM 0 HB ILE A 46 30.885 -6.598 -11.360 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.880 -6.849 -8.471 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.909 -6.995 -9.882 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.515 -5.324 -9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.625 -6.714 -10.400 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.307 -6.798 -8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.117 -4.785 -8.871 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.415 -4.661 -10.502 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.370 -4.512 -9.069 1.00 0.00 H new ATOM 666 N GLN A 47 28.503 -9.494 -10.618 1.00 0.00 N ATOM 667 CA GLN A 47 27.362 -10.137 -11.283 1.00 0.00 C ATOM 668 C GLN A 47 26.044 -9.531 -10.787 1.00 0.00 C ATOM 669 O GLN A 47 25.937 -9.167 -9.610 1.00 0.00 O ATOM 670 CB GLN A 47 27.398 -11.663 -11.028 1.00 0.00 C ATOM 671 CG GLN A 47 26.322 -12.478 -11.779 1.00 0.00 C ATOM 672 CD GLN A 47 26.366 -12.327 -13.307 1.00 0.00 C ATOM 673 OE1 GLN A 47 25.334 -12.365 -13.967 1.00 0.00 O ATOM 674 NE2 GLN A 47 27.555 -12.186 -13.886 1.00 0.00 N ATOM 0 H GLN A 47 28.398 -9.422 -9.606 1.00 0.00 H new ATOM 0 HA GLN A 47 27.430 -9.962 -12.357 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.381 -12.040 -11.311 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.285 -11.840 -9.958 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.439 -13.532 -11.526 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.338 -12.172 -11.424 1.00 0.00 H new ATOM 0 HE21 GLN A 47 28.400 -12.157 -13.315 1.00 0.00 H new ATOM 0 HE22 GLN A 47 27.622 -12.107 -14.901 1.00 0.00 H new ATOM 683 N ASN A 48 25.071 -9.438 -11.726 1.00 0.00 N ATOM 684 CA ASN A 48 23.722 -8.851 -11.541 1.00 0.00 C ATOM 685 C ASN A 48 23.849 -7.319 -11.492 1.00 0.00 C ATOM 686 O ASN A 48 23.360 -6.615 -12.374 1.00 0.00 O ATOM 687 CB ASN A 48 22.981 -9.429 -10.281 1.00 0.00 C ATOM 688 CG ASN A 48 21.461 -9.354 -10.364 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.881 -9.355 -11.448 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.793 -9.312 -9.219 1.00 0.00 N ATOM 0 H ASN A 48 25.212 -9.786 -12.675 1.00 0.00 H new ATOM 0 HA ASN A 48 23.098 -9.130 -12.390 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.276 -10.470 -10.145 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.313 -8.885 -9.396 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.774 -9.280 -9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.299 -9.312 -8.333 1.00 0.00 H new ATOM 697 N ARG A 49 24.536 -6.862 -10.443 1.00 0.00 N ATOM 698 CA ARG A 49 24.956 -5.483 -10.198 1.00 0.00 C ATOM 699 C ARG A 49 23.789 -4.498 -10.016 1.00 0.00 C ATOM 700 O ARG A 49 22.856 -4.421 -10.825 1.00 0.00 O ATOM 701 CB ARG A 49 25.997 -4.963 -11.232 1.00 0.00 C ATOM 702 CG ARG A 49 26.581 -3.566 -10.869 1.00 0.00 C ATOM 703 CD ARG A 49 27.950 -3.273 -11.513 1.00 0.00 C ATOM 704 NE ARG A 49 28.570 -2.064 -10.928 1.00 0.00 N ATOM 705 CZ ARG A 49 28.849 -0.928 -11.593 1.00 0.00 C ATOM 706 NH1 ARG A 49 28.586 -0.814 -12.888 1.00 0.00 N ATOM 707 NH2 ARG A 49 29.408 0.094 -10.951 1.00 0.00 N ATOM 0 H ARG A 49 24.833 -7.487 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 49 25.465 -5.525 -9.235 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.813 -5.682 -11.308 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.527 -4.909 -12.214 1.00 0.00 H new ATOM 0 HG2 ARG A 49 25.874 -2.796 -11.178 1.00 0.00 H new ATOM 0 HG3 ARG A 49 26.678 -3.494 -9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 49 28.611 -4.128 -11.372 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.828 -3.138 -12.588 1.00 0.00 H new ATOM 0 HE ARG A 49 28.806 -2.094 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.166 -1.594 -13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 49 28.803 0.054 -13.378 1.00 0.00 H new ATOM 0 HH21 ARG A 49 29.624 0.015 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 49 29.621 0.956 -11.452 1.00 0.00 H new ATOM 721 N LEU A 50 23.886 -3.747 -8.926 1.00 0.00 N ATOM 722 CA LEU A 50 22.954 -2.684 -8.580 1.00 0.00 C ATOM 723 C LEU A 50 23.244 -1.434 -9.411 1.00 0.00 C ATOM 724 O LEU A 50 24.392 -1.180 -9.801 1.00 0.00 O ATOM 725 CB LEU A 50 23.084 -2.408 -7.064 1.00 0.00 C ATOM 726 CG LEU A 50 22.556 -3.567 -6.170 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.140 -3.554 -4.749 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.038 -3.529 -6.135 1.00 0.00 C ATOM 0 H LEU A 50 24.634 -3.864 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 50 21.929 -2.982 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.132 -2.225 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.538 -1.496 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 50 22.892 -4.502 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.730 -4.388 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.225 -3.648 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.880 -2.617 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.668 -4.341 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.707 -2.575 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.648 -3.644 -7.146 1.00 0.00 H new ATOM 740 N THR A 51 22.191 -0.672 -9.703 1.00 0.00 N ATOM 741 CA THR A 51 22.302 0.598 -10.422 1.00 0.00 C ATOM 742 C THR A 51 21.908 1.749 -9.491 1.00 0.00 C ATOM 743 O THR A 51 21.394 1.507 -8.391 1.00 0.00 O ATOM 744 CB THR A 51 21.404 0.588 -11.700 1.00 0.00 C ATOM 745 OG1 THR A 51 20.016 0.447 -11.337 1.00 0.00 O ATOM 746 CG2 THR A 51 21.800 -0.553 -12.667 1.00 0.00 C ATOM 0 H THR A 51 21.235 -0.918 -9.447 1.00 0.00 H new ATOM 0 HA THR A 51 23.335 0.738 -10.741 1.00 0.00 H new ATOM 0 HB THR A 51 21.555 1.539 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.899 -0.363 -10.798 1.00 0.00 H new ATOM 0 HG21 THR A 51 21.153 -0.528 -13.544 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.837 -0.424 -12.977 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.689 -1.513 -12.162 1.00 0.00 H new ATOM 754 N ALA A 52 22.154 2.997 -9.940 1.00 0.00 N ATOM 755 CA ALA A 52 21.851 4.216 -9.161 1.00 0.00 C ATOM 756 C ALA A 52 20.359 4.277 -8.778 1.00 0.00 C ATOM 757 O ALA A 52 20.004 4.757 -7.687 1.00 0.00 O ATOM 758 CB ALA A 52 22.272 5.461 -9.959 1.00 0.00 C ATOM 0 H ALA A 52 22.568 3.188 -10.852 1.00 0.00 H new ATOM 0 HA ALA A 52 22.421 4.187 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.047 6.357 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.342 5.419 -10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.726 5.491 -10.902 1.00 0.00 H new ATOM 764 N GLN A 53 19.513 3.744 -9.685 1.00 0.00 N ATOM 765 CA GLN A 53 18.071 3.610 -9.476 1.00 0.00 C ATOM 766 C GLN A 53 17.806 2.703 -8.263 1.00 0.00 C ATOM 767 O GLN A 53 17.160 3.133 -7.322 1.00 0.00 O ATOM 768 CB GLN A 53 17.386 3.018 -10.741 1.00 0.00 C ATOM 769 CG GLN A 53 15.846 2.952 -10.655 1.00 0.00 C ATOM 770 CD GLN A 53 15.213 2.074 -11.737 1.00 0.00 C ATOM 771 OE1 GLN A 53 14.884 2.537 -12.832 1.00 0.00 O ATOM 772 NE2 GLN A 53 15.038 0.793 -11.436 1.00 0.00 N ATOM 0 H GLN A 53 19.824 3.393 -10.591 1.00 0.00 H new ATOM 0 HA GLN A 53 17.652 4.598 -9.288 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.665 3.619 -11.606 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.772 2.013 -10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.560 2.570 -9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.442 3.961 -10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.321 0.441 -10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.621 0.161 -12.119 1.00 0.00 H new ATOM 781 N ASP A 54 18.376 1.471 -8.291 1.00 0.00 N ATOM 782 CA ASP A 54 18.175 0.437 -7.238 1.00 0.00 C ATOM 783 C ASP A 54 18.520 0.960 -5.837 1.00 0.00 C ATOM 784 O ASP A 54 17.796 0.695 -4.876 1.00 0.00 O ATOM 785 CB ASP A 54 19.022 -0.837 -7.519 1.00 0.00 C ATOM 786 CG ASP A 54 18.557 -1.644 -8.741 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.388 -2.084 -8.756 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.357 -1.864 -9.676 1.00 0.00 O ATOM 0 H ASP A 54 18.990 1.164 -9.046 1.00 0.00 H new ATOM 0 HA ASP A 54 17.115 0.184 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.062 -0.544 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.993 -1.481 -6.640 1.00 0.00 H new ATOM 793 N ILE A 55 19.627 1.714 -5.754 1.00 0.00 N ATOM 794 CA ILE A 55 20.159 2.240 -4.481 1.00 0.00 C ATOM 795 C ILE A 55 19.243 3.361 -3.929 1.00 0.00 C ATOM 796 O ILE A 55 19.080 3.503 -2.709 1.00 0.00 O ATOM 797 CB ILE A 55 21.641 2.757 -4.663 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.522 1.677 -5.370 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.275 3.163 -3.308 1.00 0.00 C ATOM 800 CD1 ILE A 55 23.929 2.133 -5.731 1.00 0.00 C ATOM 0 H ILE A 55 20.182 1.978 -6.568 1.00 0.00 H new ATOM 0 HA ILE A 55 20.175 1.428 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 55 21.600 3.645 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.594 0.805 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.016 1.355 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.294 3.513 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.686 3.961 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.291 2.301 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.463 1.316 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.873 2.984 -6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.460 2.426 -4.825 1.00 0.00 H new ATOM 812 N ALA A 56 18.635 4.134 -4.855 1.00 0.00 N ATOM 813 CA ALA A 56 17.663 5.199 -4.519 1.00 0.00 C ATOM 814 C ALA A 56 16.307 4.602 -4.073 1.00 0.00 C ATOM 815 O ALA A 56 15.680 5.104 -3.134 1.00 0.00 O ATOM 816 CB ALA A 56 17.476 6.141 -5.721 1.00 0.00 C ATOM 0 H ALA A 56 18.804 4.038 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 56 18.060 5.772 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.759 6.921 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.432 6.597 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.104 5.573 -6.574 1.00 0.00 H new ATOM 822 N GLU A 57 15.883 3.520 -4.759 1.00 0.00 N ATOM 823 CA GLU A 57 14.620 2.804 -4.472 1.00 0.00 C ATOM 824 C GLU A 57 14.701 2.065 -3.129 1.00 0.00 C ATOM 825 O GLU A 57 13.692 1.906 -2.439 1.00 0.00 O ATOM 826 CB GLU A 57 14.322 1.765 -5.585 1.00 0.00 C ATOM 827 CG GLU A 57 14.144 2.347 -6.997 1.00 0.00 C ATOM 828 CD GLU A 57 13.985 1.262 -8.078 1.00 0.00 C ATOM 829 OE1 GLU A 57 14.898 0.418 -8.224 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.956 1.243 -8.784 1.00 0.00 O ATOM 0 H GLU A 57 16.410 3.115 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 57 13.824 3.548 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.135 1.039 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.416 1.220 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.268 2.996 -7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.005 2.970 -7.239 1.00 0.00 H new ATOM 837 N ALA A 58 15.922 1.611 -2.810 1.00 0.00 N ATOM 838 CA ALA A 58 16.223 0.744 -1.662 1.00 0.00 C ATOM 839 C ALA A 58 15.771 1.342 -0.313 1.00 0.00 C ATOM 840 O ALA A 58 16.413 2.252 0.218 1.00 0.00 O ATOM 841 CB ALA A 58 17.725 0.434 -1.629 1.00 0.00 C ATOM 0 H ALA A 58 16.750 1.843 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 58 15.652 -0.175 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.945 -0.209 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.012 -0.073 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.286 1.364 -1.537 1.00 0.00 H new ATOM 847 N THR A 59 14.637 0.842 0.191 1.00 0.00 N ATOM 848 CA THR A 59 14.204 1.040 1.582 1.00 0.00 C ATOM 849 C THR A 59 15.259 0.425 2.534 1.00 0.00 C ATOM 850 O THR A 59 15.599 1.002 3.573 1.00 0.00 O ATOM 851 CB THR A 59 12.804 0.360 1.810 1.00 0.00 C ATOM 852 OG1 THR A 59 11.873 0.805 0.806 1.00 0.00 O ATOM 853 CG2 THR A 59 12.220 0.631 3.210 1.00 0.00 C ATOM 0 H THR A 59 13.986 0.282 -0.360 1.00 0.00 H new ATOM 0 HA THR A 59 14.109 2.106 1.788 1.00 0.00 H new ATOM 0 HB THR A 59 12.963 -0.716 1.732 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.004 0.376 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.254 0.135 3.304 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.901 0.246 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.091 1.704 3.349 1.00 0.00 H new ATOM 861 N ILE A 60 15.792 -0.748 2.129 1.00 0.00 N ATOM 862 CA ILE A 60 16.830 -1.488 2.889 1.00 0.00 C ATOM 863 C ILE A 60 18.040 -1.811 1.983 1.00 0.00 C ATOM 864 O ILE A 60 17.864 -2.077 0.789 1.00 0.00 O ATOM 865 CB ILE A 60 16.247 -2.837 3.468 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.982 -2.587 4.346 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.318 -3.617 4.264 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.349 -3.834 4.944 1.00 0.00 C ATOM 0 H ILE A 60 15.516 -1.212 1.264 1.00 0.00 H new ATOM 0 HA ILE A 60 17.152 -0.852 3.714 1.00 0.00 H new ATOM 0 HB ILE A 60 15.946 -3.447 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.251 -1.911 5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.235 -2.075 3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.885 -4.540 4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.156 -3.855 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.669 -3.007 5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.478 -3.552 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 60 14.041 -4.506 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.073 -4.339 5.583 1.00 0.00 H new ATOM 880 N ILE A 61 19.268 -1.775 2.564 1.00 0.00 N ATOM 881 CA ILE A 61 20.519 -2.207 1.890 1.00 0.00 C ATOM 882 C ILE A 61 21.329 -3.086 2.861 1.00 0.00 C ATOM 883 O ILE A 61 21.684 -2.619 3.933 1.00 0.00 O ATOM 884 CB ILE A 61 21.427 -0.991 1.453 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.594 0.080 0.685 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.643 -1.474 0.609 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.367 1.299 0.235 1.00 0.00 C ATOM 0 H ILE A 61 19.417 -1.444 3.517 1.00 0.00 H new ATOM 0 HA ILE A 61 20.231 -2.752 0.991 1.00 0.00 H new ATOM 0 HB ILE A 61 21.818 -0.522 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.147 -0.390 -0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.774 0.406 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.251 -0.616 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.245 -2.164 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.285 -1.981 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.698 1.981 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.791 1.802 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.170 0.993 -0.435 1.00 0.00 H new ATOM 899 N ILE A 62 21.612 -4.350 2.496 1.00 0.00 N ATOM 900 CA ILE A 62 22.474 -5.242 3.313 1.00 0.00 C ATOM 901 C ILE A 62 23.814 -5.456 2.585 1.00 0.00 C ATOM 902 O ILE A 62 23.818 -5.969 1.471 1.00 0.00 O ATOM 903 CB ILE A 62 21.824 -6.669 3.583 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.395 -6.578 4.228 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.749 -7.543 4.466 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.256 -6.377 3.243 1.00 0.00 C ATOM 0 H ILE A 62 21.259 -4.782 1.642 1.00 0.00 H new ATOM 0 HA ILE A 62 22.608 -4.750 4.277 1.00 0.00 H new ATOM 0 HB ILE A 62 21.709 -7.139 2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.209 -7.491 4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.387 -5.754 4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.281 -8.513 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.705 -7.685 3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.913 -7.048 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.311 -6.327 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.409 -5.448 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.229 -7.212 2.543 1.00 0.00 H new ATOM 918 N HIS A 63 24.946 -5.073 3.198 1.00 0.00 N ATOM 919 CA HIS A 63 26.281 -5.463 2.686 1.00 0.00 C ATOM 920 C HIS A 63 26.718 -6.756 3.374 1.00 0.00 C ATOM 921 O HIS A 63 27.412 -6.746 4.398 1.00 0.00 O ATOM 922 CB HIS A 63 27.340 -4.329 2.839 1.00 0.00 C ATOM 923 CG HIS A 63 27.335 -3.325 1.709 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.413 -2.508 1.467 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.370 -3.058 0.788 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.086 -1.778 0.420 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.859 -2.076 -0.026 1.00 0.00 N ATOM 0 H HIS A 63 24.970 -4.499 4.041 1.00 0.00 H new ATOM 0 HA HIS A 63 26.204 -5.637 1.613 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.162 -3.805 3.778 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.331 -4.778 2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.402 -3.532 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.728 -1.032 -0.024 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.381 -1.651 -0.821 1.00 0.00 H new ATOM 935 N SER A 64 26.240 -7.864 2.810 1.00 0.00 N ATOM 936 CA SER A 64 26.593 -9.212 3.231 1.00 0.00 C ATOM 937 C SER A 64 27.946 -9.586 2.626 1.00 0.00 C ATOM 938 O SER A 64 28.027 -10.183 1.546 1.00 0.00 O ATOM 939 CB SER A 64 25.480 -10.177 2.789 1.00 0.00 C ATOM 940 OG SER A 64 25.174 -10.024 1.411 1.00 0.00 O ATOM 0 H SER A 64 25.582 -7.845 2.031 1.00 0.00 H new ATOM 0 HA SER A 64 26.683 -9.272 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.790 -11.204 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 64 24.584 -9.997 3.384 1.00 0.00 H new ATOM 0 HG SER A 64 25.826 -9.422 0.996 1.00 0.00 H new ATOM 946 N VAL A 65 29.024 -9.169 3.288 1.00 0.00 N ATOM 947 CA VAL A 65 30.369 -9.249 2.711 1.00 0.00 C ATOM 948 C VAL A 65 31.363 -9.943 3.648 1.00 0.00 C ATOM 949 O VAL A 65 31.152 -10.048 4.861 1.00 0.00 O ATOM 950 CB VAL A 65 30.866 -7.810 2.301 1.00 0.00 C ATOM 951 CG1 VAL A 65 29.926 -7.173 1.237 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.010 -6.881 3.529 1.00 0.00 C ATOM 0 H VAL A 65 28.994 -8.771 4.227 1.00 0.00 H new ATOM 0 HA VAL A 65 30.313 -9.867 1.815 1.00 0.00 H new ATOM 0 HB VAL A 65 31.855 -7.927 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.294 -6.181 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 65 29.906 -7.801 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 65 28.919 -7.090 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.354 -5.899 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.044 -6.781 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.733 -7.307 4.225 1.00 0.00 H new ATOM 962 N ALA A 66 32.413 -10.472 3.017 1.00 0.00 N ATOM 963 CA ALA A 66 33.580 -11.082 3.671 1.00 0.00 C ATOM 964 C ALA A 66 34.799 -10.160 3.483 1.00 0.00 C ATOM 965 O ALA A 66 35.777 -10.220 4.238 1.00 0.00 O ATOM 966 CB ALA A 66 33.837 -12.477 3.075 1.00 0.00 C ATOM 0 H ALA A 66 32.480 -10.490 1.999 1.00 0.00 H new ATOM 0 HA ALA A 66 33.396 -11.202 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.703 -12.927 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 66 32.962 -13.108 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.028 -12.386 2.006 1.00 0.00 H new ATOM 972 N VAL A 67 34.705 -9.297 2.449 1.00 0.00 N ATOM 973 CA VAL A 67 35.686 -8.254 2.115 1.00 0.00 C ATOM 974 C VAL A 67 34.919 -6.981 1.756 1.00 0.00 C ATOM 975 O VAL A 67 33.802 -7.066 1.230 1.00 0.00 O ATOM 976 CB VAL A 67 36.622 -8.661 0.906 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.668 -9.711 1.333 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.784 -9.164 -0.307 1.00 0.00 C ATOM 0 H VAL A 67 33.915 -9.312 1.804 1.00 0.00 H new ATOM 0 HA VAL A 67 36.333 -8.104 2.980 1.00 0.00 H new ATOM 0 HB VAL A 67 37.162 -7.768 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.295 -9.969 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.290 -9.302 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.160 -10.606 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.453 -9.437 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.200 -10.035 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.112 -8.372 -0.638 1.00 0.00 H new ATOM 988 N THR A 68 35.513 -5.806 2.048 1.00 0.00 N ATOM 989 CA THR A 68 34.927 -4.512 1.682 1.00 0.00 C ATOM 990 C THR A 68 34.751 -4.448 0.145 1.00 0.00 C ATOM 991 O THR A 68 35.755 -4.514 -0.581 1.00 0.00 O ATOM 992 CB THR A 68 35.811 -3.323 2.179 1.00 0.00 C ATOM 993 OG1 THR A 68 36.000 -3.419 3.603 1.00 0.00 O ATOM 994 CG2 THR A 68 35.203 -1.947 1.832 1.00 0.00 C ATOM 0 H THR A 68 36.404 -5.733 2.540 1.00 0.00 H new ATOM 0 HA THR A 68 33.955 -4.421 2.167 1.00 0.00 H new ATOM 0 HB THR A 68 36.768 -3.397 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 68 36.556 -2.673 3.910 1.00 0.00 H new ATOM 0 HG21 THR A 68 35.857 -1.157 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.099 -1.858 0.751 1.00 0.00 H new ATOM 0 HG23 THR A 68 34.223 -1.854 2.300 1.00 0.00 H new ATOM 1002 N PRO A 69 33.472 -4.353 -0.366 1.00 0.00 N ATOM 1003 CA PRO A 69 33.185 -4.361 -1.816 1.00 0.00 C ATOM 1004 C PRO A 69 33.789 -3.133 -2.516 1.00 0.00 C ATOM 1005 O PRO A 69 33.949 -2.085 -1.896 1.00 0.00 O ATOM 1006 CB PRO A 69 31.635 -4.356 -1.883 1.00 0.00 C ATOM 1007 CG PRO A 69 31.190 -3.764 -0.581 1.00 0.00 C ATOM 1008 CD PRO A 69 32.220 -4.206 0.436 1.00 0.00 C ATOM 0 HA PRO A 69 33.622 -5.218 -2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.279 -3.765 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.243 -5.365 -2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.139 -2.677 -0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.194 -4.115 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.338 -3.470 1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 69 31.936 -5.145 0.911 1.00 0.00 H new ATOM 1016 N GLU A 70 34.124 -3.286 -3.802 1.00 0.00 N ATOM 1017 CA GLU A 70 34.748 -2.216 -4.608 1.00 0.00 C ATOM 1018 C GLU A 70 33.777 -1.028 -4.769 1.00 0.00 C ATOM 1019 O GLU A 70 34.169 0.139 -4.713 1.00 0.00 O ATOM 1020 CB GLU A 70 35.164 -2.782 -5.995 1.00 0.00 C ATOM 1021 CG GLU A 70 35.994 -4.086 -5.943 1.00 0.00 C ATOM 1022 CD GLU A 70 37.285 -3.972 -5.110 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.313 -3.510 -5.650 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.281 -4.349 -3.915 1.00 0.00 O ATOM 0 H GLU A 70 33.973 -4.152 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 70 35.639 -1.854 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.264 -2.965 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.740 -2.022 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.375 -4.882 -5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.254 -4.380 -6.960 1.00 0.00 H new ATOM 1031 N ASP A 71 32.489 -1.367 -4.904 1.00 0.00 N ATOM 1032 CA ASP A 71 31.401 -0.415 -5.202 1.00 0.00 C ATOM 1033 C ASP A 71 30.751 0.136 -3.918 1.00 0.00 C ATOM 1034 O ASP A 71 29.712 0.790 -3.994 1.00 0.00 O ATOM 1035 CB ASP A 71 30.350 -1.137 -6.091 1.00 0.00 C ATOM 1036 CG ASP A 71 30.918 -1.551 -7.465 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.799 -2.427 -7.511 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.515 -0.969 -8.498 1.00 0.00 O ATOM 0 H ASP A 71 32.163 -2.329 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 71 31.813 0.444 -5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.987 -2.023 -5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.493 -0.480 -6.239 1.00 0.00 H new ATOM 1043 N ASN A 72 31.404 -0.082 -2.751 1.00 0.00 N ATOM 1044 CA ASN A 72 30.901 0.341 -1.414 1.00 0.00 C ATOM 1045 C ASN A 72 30.613 1.868 -1.352 1.00 0.00 C ATOM 1046 O ASN A 72 29.710 2.315 -0.639 1.00 0.00 O ATOM 1047 CB ASN A 72 31.925 -0.070 -0.315 1.00 0.00 C ATOM 1048 CG ASN A 72 33.170 0.831 -0.258 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.258 1.743 0.556 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.109 0.624 -1.161 1.00 0.00 N ATOM 0 H ASN A 72 32.304 -0.561 -2.707 1.00 0.00 H new ATOM 0 HA ASN A 72 29.953 -0.167 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.429 -0.051 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.240 -1.098 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 72 34.929 1.229 -1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.015 -0.141 -1.829 1.00 0.00 H new ATOM 1057 N GLU A 73 31.389 2.631 -2.147 1.00 0.00 N ATOM 1058 CA GLU A 73 31.295 4.103 -2.252 1.00 0.00 C ATOM 1059 C GLU A 73 29.908 4.573 -2.760 1.00 0.00 C ATOM 1060 O GLU A 73 29.422 5.619 -2.351 1.00 0.00 O ATOM 1061 CB GLU A 73 32.422 4.622 -3.184 1.00 0.00 C ATOM 1062 CG GLU A 73 32.411 4.024 -4.610 1.00 0.00 C ATOM 1063 CD GLU A 73 33.511 4.606 -5.517 1.00 0.00 C ATOM 1064 OE1 GLU A 73 33.296 5.677 -6.120 1.00 0.00 O ATOM 1065 OE2 GLU A 73 34.599 3.998 -5.631 1.00 0.00 O ATOM 0 H GLU A 73 32.113 2.235 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 73 31.417 4.520 -1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.341 5.706 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.385 4.405 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.536 2.943 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.438 4.206 -5.066 1.00 0.00 H new ATOM 1072 N ARG A 74 29.292 3.767 -3.644 1.00 0.00 N ATOM 1073 CA ARG A 74 27.948 4.018 -4.210 1.00 0.00 C ATOM 1074 C ARG A 74 26.845 3.960 -3.130 1.00 0.00 C ATOM 1075 O ARG A 74 25.805 4.618 -3.234 1.00 0.00 O ATOM 1076 CB ARG A 74 27.680 2.956 -5.298 1.00 0.00 C ATOM 1077 CG ARG A 74 28.608 3.055 -6.531 1.00 0.00 C ATOM 1078 CD ARG A 74 28.495 1.839 -7.472 1.00 0.00 C ATOM 1079 NE ARG A 74 27.126 1.308 -7.523 1.00 0.00 N ATOM 1080 CZ ARG A 74 26.804 0.015 -7.643 1.00 0.00 C ATOM 1081 NH1 ARG A 74 27.709 -0.894 -7.944 1.00 0.00 N ATOM 1082 NH2 ARG A 74 25.565 -0.360 -7.482 1.00 0.00 N ATOM 0 H ARG A 74 29.718 2.909 -3.993 1.00 0.00 H new ATOM 0 HA ARG A 74 27.925 5.022 -4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.788 1.966 -4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.645 3.046 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.368 3.961 -7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.640 3.152 -6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.810 2.126 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 74 29.175 1.056 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 74 26.360 1.979 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.680 -0.618 -8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.439 -1.874 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 74 24.847 0.331 -7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.314 -1.345 -7.572 1.00 0.00 H new ATOM 1096 N PHE A 75 27.106 3.149 -2.103 1.00 0.00 N ATOM 1097 CA PHE A 75 26.154 2.860 -1.009 1.00 0.00 C ATOM 1098 C PHE A 75 26.464 3.680 0.248 1.00 0.00 C ATOM 1099 O PHE A 75 25.647 3.733 1.170 1.00 0.00 O ATOM 1100 CB PHE A 75 26.206 1.348 -0.692 1.00 0.00 C ATOM 1101 CG PHE A 75 25.956 0.480 -1.918 1.00 0.00 C ATOM 1102 CD1 PHE A 75 24.670 0.113 -2.273 1.00 0.00 C ATOM 1103 CD2 PHE A 75 27.012 0.055 -2.727 1.00 0.00 C ATOM 1104 CE1 PHE A 75 24.447 -0.642 -3.398 1.00 0.00 C ATOM 1105 CE2 PHE A 75 26.785 -0.697 -3.857 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.502 -1.051 -4.189 1.00 0.00 C ATOM 0 H PHE A 75 27.997 2.663 -1.999 1.00 0.00 H new ATOM 0 HA PHE A 75 25.153 3.142 -1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.181 1.103 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.462 1.115 0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 75 23.836 0.423 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 75 28.024 0.321 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 75 23.438 -0.918 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 75 27.612 -1.007 -4.479 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.317 -1.649 -5.069 1.00 0.00 H new ATOM 1116 N GLU A 76 27.645 4.320 0.263 1.00 0.00 N ATOM 1117 CA GLU A 76 28.150 5.114 1.404 1.00 0.00 C ATOM 1118 C GLU A 76 27.165 6.245 1.804 1.00 0.00 C ATOM 1119 O GLU A 76 27.000 6.550 2.991 1.00 0.00 O ATOM 1120 CB GLU A 76 29.538 5.698 1.016 1.00 0.00 C ATOM 1121 CG GLU A 76 30.236 6.531 2.110 1.00 0.00 C ATOM 1122 CD GLU A 76 31.556 7.156 1.622 1.00 0.00 C ATOM 1123 OE1 GLU A 76 32.602 6.484 1.693 1.00 0.00 O ATOM 1124 OE2 GLU A 76 31.547 8.319 1.155 1.00 0.00 O ATOM 0 H GLU A 76 28.289 4.302 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 76 28.245 4.466 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.194 4.874 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.416 6.322 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 76 29.565 7.322 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 76 30.435 5.897 2.974 1.00 0.00 H new ATOM 1131 N SER A 77 26.496 6.825 0.790 1.00 0.00 N ATOM 1132 CA SER A 77 25.538 7.938 0.965 1.00 0.00 C ATOM 1133 C SER A 77 24.202 7.476 1.591 1.00 0.00 C ATOM 1134 O SER A 77 23.448 8.297 2.120 1.00 0.00 O ATOM 1135 CB SER A 77 25.278 8.602 -0.412 1.00 0.00 C ATOM 1136 OG SER A 77 24.416 9.729 -0.314 1.00 0.00 O ATOM 0 H SER A 77 26.604 6.534 -0.182 1.00 0.00 H new ATOM 0 HA SER A 77 25.980 8.655 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 77 26.228 8.911 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 77 24.839 7.869 -1.089 1.00 0.00 H new ATOM 0 HG SER A 77 24.281 10.116 -1.204 1.00 0.00 H new ATOM 1142 N ARG A 78 23.925 6.164 1.524 1.00 0.00 N ATOM 1143 CA ARG A 78 22.618 5.585 1.901 1.00 0.00 C ATOM 1144 C ARG A 78 22.719 4.728 3.180 1.00 0.00 C ATOM 1145 O ARG A 78 23.814 4.496 3.705 1.00 0.00 O ATOM 1146 CB ARG A 78 22.074 4.747 0.718 1.00 0.00 C ATOM 1147 CG ARG A 78 21.825 5.543 -0.582 1.00 0.00 C ATOM 1148 CD ARG A 78 20.747 6.624 -0.428 1.00 0.00 C ATOM 1149 NE ARG A 78 20.485 7.320 -1.701 1.00 0.00 N ATOM 1150 CZ ARG A 78 19.417 8.101 -1.949 1.00 0.00 C ATOM 1151 NH1 ARG A 78 18.454 8.264 -1.044 1.00 0.00 N ATOM 1152 NH2 ARG A 78 19.311 8.713 -3.121 1.00 0.00 N ATOM 0 H ARG A 78 24.601 5.470 1.206 1.00 0.00 H new ATOM 0 HA ARG A 78 21.927 6.399 2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.780 3.944 0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.139 4.277 1.024 1.00 0.00 H new ATOM 0 HG2 ARG A 78 22.757 6.010 -0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 78 21.529 4.853 -1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.825 6.169 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.062 7.347 0.324 1.00 0.00 H new ATOM 0 HE ARG A 78 21.165 7.201 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.517 7.792 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.653 8.861 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.036 8.590 -3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.504 9.306 -3.315 1.00 0.00 H new ATOM 1166 N ASP A 79 21.550 4.270 3.674 1.00 0.00 N ATOM 1167 CA ASP A 79 21.437 3.484 4.919 1.00 0.00 C ATOM 1168 C ASP A 79 21.694 1.998 4.638 1.00 0.00 C ATOM 1169 O ASP A 79 20.810 1.269 4.153 1.00 0.00 O ATOM 1170 CB ASP A 79 20.047 3.701 5.568 1.00 0.00 C ATOM 1171 CG ASP A 79 19.795 5.177 5.910 1.00 0.00 C ATOM 1172 OD1 ASP A 79 20.338 5.663 6.924 1.00 0.00 O ATOM 1173 OD2 ASP A 79 19.085 5.872 5.150 1.00 0.00 O ATOM 0 H ASP A 79 20.653 4.436 3.217 1.00 0.00 H new ATOM 0 HA ASP A 79 22.194 3.828 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.271 3.349 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.973 3.101 6.475 1.00 0.00 H new ATOM 1178 N VAL A 80 22.939 1.580 4.901 1.00 0.00 N ATOM 1179 CA VAL A 80 23.401 0.200 4.692 1.00 0.00 C ATOM 1180 C VAL A 80 23.545 -0.526 6.046 1.00 0.00 C ATOM 1181 O VAL A 80 23.747 0.109 7.089 1.00 0.00 O ATOM 1182 CB VAL A 80 24.767 0.187 3.907 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.214 -1.247 3.560 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.683 1.057 2.635 1.00 0.00 C ATOM 0 H VAL A 80 23.663 2.197 5.269 1.00 0.00 H new ATOM 0 HA VAL A 80 22.659 -0.328 4.093 1.00 0.00 H new ATOM 0 HB VAL A 80 25.522 0.615 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.160 -1.212 3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.342 -1.821 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.457 -1.723 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.639 1.030 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.901 0.671 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.449 2.085 2.912 1.00 0.00 H new ATOM 1194 N TYR A 81 23.405 -1.864 6.012 1.00 0.00 N ATOM 1195 CA TYR A 81 23.520 -2.748 7.177 1.00 0.00 C ATOM 1196 C TYR A 81 24.594 -3.808 6.863 1.00 0.00 C ATOM 1197 O TYR A 81 24.300 -4.838 6.233 1.00 0.00 O ATOM 1198 CB TYR A 81 22.134 -3.395 7.488 1.00 0.00 C ATOM 1199 CG TYR A 81 21.008 -2.358 7.705 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.277 -1.840 6.626 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.724 -1.854 8.973 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.301 -0.885 6.806 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.744 -0.892 9.159 1.00 0.00 C ATOM 1204 CZ TYR A 81 19.043 -0.405 8.070 1.00 0.00 C ATOM 1205 OH TYR A 81 18.058 0.543 8.248 1.00 0.00 O ATOM 0 H TYR A 81 23.204 -2.369 5.149 1.00 0.00 H new ATOM 0 HA TYR A 81 23.820 -2.192 8.065 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.857 -4.055 6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.223 -4.016 8.379 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.485 -2.199 5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.277 -2.220 9.825 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.741 -0.515 5.960 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.528 -0.524 10.151 1.00 0.00 H new ATOM 0 HH TYR A 81 17.998 0.778 9.198 1.00 0.00 H new ATOM 1215 N GLU A 82 25.859 -3.504 7.235 1.00 0.00 N ATOM 1216 CA GLU A 82 27.007 -4.385 6.962 1.00 0.00 C ATOM 1217 C GLU A 82 27.030 -5.570 7.945 1.00 0.00 C ATOM 1218 O GLU A 82 26.978 -5.387 9.169 1.00 0.00 O ATOM 1219 CB GLU A 82 28.373 -3.632 7.011 1.00 0.00 C ATOM 1220 CG GLU A 82 28.537 -2.471 5.992 1.00 0.00 C ATOM 1221 CD GLU A 82 28.062 -1.101 6.518 1.00 0.00 C ATOM 1222 OE1 GLU A 82 26.844 -0.853 6.552 1.00 0.00 O ATOM 1223 OE2 GLU A 82 28.910 -0.267 6.912 1.00 0.00 O ATOM 0 H GLU A 82 26.106 -2.647 7.729 1.00 0.00 H new ATOM 0 HA GLU A 82 26.875 -4.755 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.511 -3.232 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.172 -4.354 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.587 -2.396 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.980 -2.714 5.087 1.00 0.00 H new ATOM 1230 N ILE A 83 27.096 -6.772 7.380 1.00 0.00 N ATOM 1231 CA ILE A 83 27.175 -8.053 8.107 1.00 0.00 C ATOM 1232 C ILE A 83 28.232 -8.938 7.416 1.00 0.00 C ATOM 1233 O ILE A 83 28.859 -8.516 6.425 1.00 0.00 O ATOM 1234 CB ILE A 83 25.787 -8.816 8.105 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.362 -9.144 6.638 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.676 -8.019 8.846 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.223 -10.119 6.510 1.00 0.00 C ATOM 0 H ILE A 83 27.097 -6.895 6.367 1.00 0.00 H new ATOM 0 HA ILE A 83 27.444 -7.847 9.143 1.00 0.00 H new ATOM 0 HB ILE A 83 25.918 -9.749 8.654 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.084 -8.215 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.225 -9.545 6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.743 -8.583 8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 83 24.972 -7.860 9.883 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.532 -7.055 8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 83 24.001 -10.283 5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.500 -11.066 6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.341 -9.716 7.008 1.00 0.00 H new ATOM 1249 N THR A 84 28.422 -10.163 7.925 1.00 0.00 N ATOM 1250 CA THR A 84 29.216 -11.180 7.232 1.00 0.00 C ATOM 1251 C THR A 84 28.350 -11.895 6.192 1.00 0.00 C ATOM 1252 O THR A 84 27.139 -12.065 6.377 1.00 0.00 O ATOM 1253 CB THR A 84 29.850 -12.217 8.215 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.857 -12.731 9.120 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.010 -11.593 9.000 1.00 0.00 C ATOM 0 H THR A 84 28.034 -10.472 8.817 1.00 0.00 H new ATOM 0 HA THR A 84 30.041 -10.668 6.736 1.00 0.00 H new ATOM 0 HB THR A 84 30.243 -13.043 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.272 -13.380 9.726 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.433 -12.336 9.676 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.779 -11.255 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.644 -10.744 9.577 1.00 0.00 H new ATOM 1263 N LEU A 85 28.997 -12.301 5.096 1.00 0.00 N ATOM 1264 CA LEU A 85 28.343 -13.018 3.987 1.00 0.00 C ATOM 1265 C LEU A 85 27.852 -14.409 4.443 1.00 0.00 C ATOM 1266 O LEU A 85 26.862 -14.930 3.915 1.00 0.00 O ATOM 1267 CB LEU A 85 29.334 -13.086 2.793 1.00 0.00 C ATOM 1268 CG LEU A 85 28.757 -13.554 1.413 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.473 -12.863 0.246 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.816 -15.085 1.255 1.00 0.00 C ATOM 0 H LEU A 85 29.994 -12.143 4.948 1.00 0.00 H new ATOM 0 HA LEU A 85 27.451 -12.483 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.771 -12.096 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.147 -13.759 3.066 1.00 0.00 H new ATOM 0 HG LEU A 85 27.708 -13.260 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.050 -13.209 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.344 -11.784 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.536 -13.104 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.406 -15.367 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.852 -15.418 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.232 -15.555 2.046 1.00 0.00 H new ATOM 1282 N GLN A 86 28.548 -14.977 5.446 1.00 0.00 N ATOM 1283 CA GLN A 86 28.156 -16.237 6.096 1.00 0.00 C ATOM 1284 C GLN A 86 26.787 -16.082 6.789 1.00 0.00 C ATOM 1285 O GLN A 86 25.912 -16.947 6.649 1.00 0.00 O ATOM 1286 CB GLN A 86 29.236 -16.663 7.126 1.00 0.00 C ATOM 1287 CG GLN A 86 28.913 -17.967 7.882 1.00 0.00 C ATOM 1288 CD GLN A 86 29.979 -18.352 8.913 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.918 -19.091 8.621 1.00 0.00 O ATOM 1290 NE2 GLN A 86 29.856 -17.824 10.116 1.00 0.00 N ATOM 0 H GLN A 86 29.402 -14.571 5.828 1.00 0.00 H new ATOM 0 HA GLN A 86 28.071 -17.012 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.188 -16.783 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.367 -15.860 7.851 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.953 -17.858 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.804 -18.778 7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 86 29.066 -17.215 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 86 30.551 -18.025 10.835 1.00 0.00 H new ATOM 1299 N ASP A 87 26.618 -14.950 7.516 1.00 0.00 N ATOM 1300 CA ASP A 87 25.369 -14.615 8.240 1.00 0.00 C ATOM 1301 C ASP A 87 24.187 -14.500 7.258 1.00 0.00 C ATOM 1302 O ASP A 87 23.058 -14.816 7.596 1.00 0.00 O ATOM 1303 CB ASP A 87 25.547 -13.286 9.043 1.00 0.00 C ATOM 1304 CG ASP A 87 24.470 -13.063 10.124 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.464 -13.817 11.120 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.633 -12.153 9.988 1.00 0.00 O ATOM 0 H ASP A 87 27.346 -14.243 7.616 1.00 0.00 H new ATOM 0 HA ASP A 87 25.151 -15.418 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.529 -13.287 9.516 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.530 -12.447 8.347 1.00 0.00 H new ATOM 1311 N ALA A 88 24.488 -14.073 6.023 1.00 0.00 N ATOM 1312 CA ALA A 88 23.496 -13.919 4.938 1.00 0.00 C ATOM 1313 C ALA A 88 22.954 -15.258 4.415 1.00 0.00 C ATOM 1314 O ALA A 88 21.890 -15.299 3.798 1.00 0.00 O ATOM 1315 CB ALA A 88 24.120 -13.136 3.797 1.00 0.00 C ATOM 0 H ALA A 88 25.436 -13.821 5.742 1.00 0.00 H new ATOM 0 HA ALA A 88 22.645 -13.382 5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.392 -13.020 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.425 -12.153 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.991 -13.672 3.422 1.00 0.00 H new ATOM 1321 N ILE A 89 23.712 -16.336 4.641 1.00 0.00 N ATOM 1322 CA ILE A 89 23.354 -17.693 4.194 1.00 0.00 C ATOM 1323 C ILE A 89 22.512 -18.409 5.272 1.00 0.00 C ATOM 1324 O ILE A 89 21.524 -19.083 4.957 1.00 0.00 O ATOM 1325 CB ILE A 89 24.664 -18.515 3.873 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.531 -17.752 2.816 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.340 -19.956 3.385 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.937 -18.286 2.616 1.00 0.00 C ATOM 0 H ILE A 89 24.599 -16.295 5.143 1.00 0.00 H new ATOM 0 HA ILE A 89 22.755 -17.622 3.286 1.00 0.00 H new ATOM 0 HB ILE A 89 25.233 -18.611 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 89 25.011 -17.779 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.597 -16.706 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.269 -20.487 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.786 -20.486 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.738 -19.906 2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.450 -17.687 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.484 -18.233 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.888 -19.323 2.283 1.00 0.00 H new ATOM 1340 N LYS A 90 22.910 -18.245 6.549 1.00 0.00 N ATOM 1341 CA LYS A 90 22.276 -18.951 7.691 1.00 0.00 C ATOM 1342 C LYS A 90 21.139 -18.119 8.334 1.00 0.00 C ATOM 1343 O LYS A 90 20.038 -18.630 8.556 1.00 0.00 O ATOM 1344 CB LYS A 90 23.356 -19.356 8.747 1.00 0.00 C ATOM 1345 CG LYS A 90 24.351 -18.234 9.150 1.00 0.00 C ATOM 1346 CD LYS A 90 25.373 -18.674 10.226 1.00 0.00 C ATOM 1347 CE LYS A 90 26.226 -19.885 9.803 1.00 0.00 C ATOM 1348 NZ LYS A 90 27.211 -20.269 10.856 1.00 0.00 N ATOM 0 H LYS A 90 23.673 -17.626 6.821 1.00 0.00 H new ATOM 0 HA LYS A 90 21.814 -19.859 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.847 -19.706 9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 90 23.925 -20.198 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.890 -17.901 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.789 -17.377 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 90 26.033 -17.837 10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.839 -18.918 11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.573 -20.732 9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.755 -19.651 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 27.764 -21.088 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.851 -19.470 11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 26.705 -20.517 11.730 1.00 0.00 H new ATOM 1362 N ASN A 91 21.412 -16.835 8.598 1.00 0.00 N ATOM 1363 CA ASN A 91 20.492 -15.929 9.343 1.00 0.00 C ATOM 1364 C ASN A 91 19.683 -15.024 8.379 1.00 0.00 C ATOM 1365 O ASN A 91 19.126 -14.026 8.813 1.00 0.00 O ATOM 1366 CB ASN A 91 21.336 -15.041 10.311 1.00 0.00 C ATOM 1367 CG ASN A 91 20.502 -14.266 11.346 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.669 -14.839 12.045 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.697 -12.958 11.420 1.00 0.00 N ATOM 0 H ASN A 91 22.277 -16.382 8.305 1.00 0.00 H new ATOM 0 HA ASN A 91 19.782 -16.537 9.903 1.00 0.00 H new ATOM 0 HB2 ASN A 91 22.050 -15.674 10.837 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.915 -14.330 9.722 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.148 -12.397 12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.396 -12.512 10.826 1.00 0.00 H new ATOM 1376 N ALA A 92 19.600 -15.401 7.082 1.00 0.00 N ATOM 1377 CA ALA A 92 19.018 -14.554 5.998 1.00 0.00 C ATOM 1378 C ALA A 92 17.677 -13.893 6.385 1.00 0.00 C ATOM 1379 O ALA A 92 17.568 -12.660 6.404 1.00 0.00 O ATOM 1380 CB ALA A 92 18.845 -15.379 4.725 1.00 0.00 C ATOM 0 H ALA A 92 19.935 -16.305 6.749 1.00 0.00 H new ATOM 0 HA ALA A 92 19.725 -13.742 5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.420 -14.753 3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.815 -15.757 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.176 -16.217 4.922 1.00 0.00 H new ATOM 1386 N ALA A 93 16.690 -14.735 6.746 1.00 0.00 N ATOM 1387 CA ALA A 93 15.351 -14.283 7.166 1.00 0.00 C ATOM 1388 C ALA A 93 15.439 -13.372 8.396 1.00 0.00 C ATOM 1389 O ALA A 93 14.741 -12.363 8.462 1.00 0.00 O ATOM 1390 CB ALA A 93 14.441 -15.492 7.430 1.00 0.00 C ATOM 0 H ALA A 93 16.799 -15.749 6.754 1.00 0.00 H new ATOM 0 HA ALA A 93 14.913 -13.697 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.455 -15.145 7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.348 -16.083 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.873 -16.107 8.219 1.00 0.00 H new ATOM 1396 N GLY A 94 16.356 -13.730 9.323 1.00 0.00 N ATOM 1397 CA GLY A 94 16.575 -12.991 10.562 1.00 0.00 C ATOM 1398 C GLY A 94 17.037 -11.560 10.319 1.00 0.00 C ATOM 1399 O GLY A 94 16.488 -10.632 10.898 1.00 0.00 O ATOM 0 H GLY A 94 16.961 -14.545 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.651 -12.977 11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.320 -13.512 11.164 1.00 0.00 H new ATOM 1403 N ILE A 95 18.020 -11.396 9.417 1.00 0.00 N ATOM 1404 CA ILE A 95 18.601 -10.088 9.053 1.00 0.00 C ATOM 1405 C ILE A 95 17.507 -9.148 8.536 1.00 0.00 C ATOM 1406 O ILE A 95 17.281 -8.078 9.112 1.00 0.00 O ATOM 1407 CB ILE A 95 19.699 -10.259 7.940 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.846 -11.203 8.416 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.268 -8.882 7.470 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.495 -11.980 7.296 1.00 0.00 C ATOM 0 H ILE A 95 18.440 -12.177 8.913 1.00 0.00 H new ATOM 0 HA ILE A 95 19.059 -9.662 9.946 1.00 0.00 H new ATOM 0 HB ILE A 95 19.215 -10.723 7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.607 -10.609 8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.447 -11.904 9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 95 21.023 -9.044 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.460 -8.274 7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.718 -8.366 8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.283 -12.614 7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.747 -12.601 6.803 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.924 -11.286 6.573 1.00 0.00 H new ATOM 1422 N ILE A 96 16.809 -9.597 7.462 1.00 0.00 N ATOM 1423 CA ILE A 96 15.777 -8.797 6.790 1.00 0.00 C ATOM 1424 C ILE A 96 14.672 -8.387 7.786 1.00 0.00 C ATOM 1425 O ILE A 96 14.396 -7.200 7.899 1.00 0.00 O ATOM 1426 CB ILE A 96 15.164 -9.527 5.517 1.00 0.00 C ATOM 1427 CG1 ILE A 96 16.137 -9.472 4.287 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.791 -8.932 5.104 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.349 -10.372 4.337 1.00 0.00 C ATOM 0 H ILE A 96 16.951 -10.518 7.047 1.00 0.00 H new ATOM 0 HA ILE A 96 16.264 -7.895 6.420 1.00 0.00 H new ATOM 0 HB ILE A 96 15.021 -10.566 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.567 -9.719 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.481 -8.444 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.412 -9.463 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 96 13.085 -9.039 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.910 -7.876 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.938 -10.239 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.957 -10.116 5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.028 -11.411 4.412 1.00 0.00 H new ATOM 1441 N LYS A 97 14.091 -9.368 8.536 1.00 0.00 N ATOM 1442 CA LYS A 97 12.943 -9.110 9.461 1.00 0.00 C ATOM 1443 C LYS A 97 13.302 -8.113 10.577 1.00 0.00 C ATOM 1444 O LYS A 97 12.438 -7.364 11.044 1.00 0.00 O ATOM 1445 CB LYS A 97 12.350 -10.437 10.050 1.00 0.00 C ATOM 1446 CG LYS A 97 13.284 -11.292 10.963 1.00 0.00 C ATOM 1447 CD LYS A 97 13.387 -10.831 12.442 1.00 0.00 C ATOM 1448 CE LYS A 97 12.060 -10.875 13.198 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.229 -10.426 14.604 1.00 0.00 N ATOM 0 H LYS A 97 14.396 -10.341 8.519 1.00 0.00 H new ATOM 0 HA LYS A 97 12.164 -8.646 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.458 -10.183 10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.027 -11.062 9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.932 -12.323 10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.285 -11.290 10.531 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.110 -11.462 12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.776 -9.813 12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.331 -10.240 12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.663 -11.890 13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.434 -10.773 15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.120 -10.803 14.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.251 -9.387 14.636 1.00 0.00 H new ATOM 1463 N GLU A 98 14.583 -8.137 11.000 1.00 0.00 N ATOM 1464 CA GLU A 98 15.121 -7.205 12.011 1.00 0.00 C ATOM 1465 C GLU A 98 15.096 -5.772 11.473 1.00 0.00 C ATOM 1466 O GLU A 98 14.783 -4.825 12.205 1.00 0.00 O ATOM 1467 CB GLU A 98 16.569 -7.617 12.429 1.00 0.00 C ATOM 1468 CG GLU A 98 16.663 -8.848 13.358 1.00 0.00 C ATOM 1469 CD GLU A 98 16.039 -8.629 14.744 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.723 -8.078 15.634 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.870 -9.013 14.958 1.00 0.00 O ATOM 0 H GLU A 98 15.272 -8.803 10.650 1.00 0.00 H new ATOM 0 HA GLU A 98 14.490 -7.253 12.899 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.146 -7.818 11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.041 -6.770 12.927 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.169 -9.693 12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.712 -9.119 13.481 1.00 0.00 H new ATOM 1478 N ILE A 99 15.385 -5.627 10.168 1.00 0.00 N ATOM 1479 CA ILE A 99 15.422 -4.313 9.514 1.00 0.00 C ATOM 1480 C ILE A 99 13.991 -3.855 9.181 1.00 0.00 C ATOM 1481 O ILE A 99 13.694 -2.657 9.214 1.00 0.00 O ATOM 1482 CB ILE A 99 16.311 -4.327 8.221 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.701 -5.001 8.495 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.504 -2.886 7.696 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.501 -5.348 7.247 1.00 0.00 C ATOM 0 H ILE A 99 15.596 -6.408 9.546 1.00 0.00 H new ATOM 0 HA ILE A 99 15.875 -3.606 10.208 1.00 0.00 H new ATOM 0 HB ILE A 99 15.799 -4.917 7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.297 -4.332 9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.540 -5.912 9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.122 -2.905 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.533 -2.452 7.458 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.993 -2.283 8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.445 -5.809 7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.931 -6.044 6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.700 -4.440 6.678 1.00 0.00 H new ATOM 1497 N GLU A 100 13.112 -4.833 8.888 1.00 0.00 N ATOM 1498 CA GLU A 100 11.690 -4.585 8.602 1.00 0.00 C ATOM 1499 C GLU A 100 11.013 -3.912 9.790 1.00 0.00 C ATOM 1500 O GLU A 100 10.351 -2.897 9.621 1.00 0.00 O ATOM 1501 CB GLU A 100 10.921 -5.894 8.279 1.00 0.00 C ATOM 1502 CG GLU A 100 11.429 -6.675 7.063 1.00 0.00 C ATOM 1503 CD GLU A 100 10.459 -7.788 6.638 1.00 0.00 C ATOM 1504 OE1 GLU A 100 9.396 -7.461 6.073 1.00 0.00 O ATOM 1505 OE2 GLU A 100 10.734 -8.986 6.899 1.00 0.00 O ATOM 0 H GLU A 100 13.371 -5.819 8.844 1.00 0.00 H new ATOM 0 HA GLU A 100 11.660 -3.934 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.965 -6.546 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.871 -5.648 8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.578 -5.989 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.401 -7.112 7.294 1.00 0.00 H new ATOM 1512 N GLU A 101 11.196 -4.498 10.991 1.00 0.00 N ATOM 1513 CA GLU A 101 10.555 -3.996 12.219 1.00 0.00 C ATOM 1514 C GLU A 101 11.144 -2.641 12.635 1.00 0.00 C ATOM 1515 O GLU A 101 10.406 -1.777 13.093 1.00 0.00 O ATOM 1516 CB GLU A 101 10.648 -5.027 13.372 1.00 0.00 C ATOM 1517 CG GLU A 101 12.071 -5.393 13.815 1.00 0.00 C ATOM 1518 CD GLU A 101 12.092 -6.384 14.983 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.012 -5.940 16.153 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.161 -7.603 14.746 1.00 0.00 O ATOM 0 H GLU A 101 11.783 -5.320 11.134 1.00 0.00 H new ATOM 0 HA GLU A 101 9.498 -3.848 12.000 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.108 -4.633 14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.136 -5.939 13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.611 -5.822 12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.601 -4.486 14.104 1.00 0.00 H new ATOM 1527 N MET A 102 12.471 -2.456 12.445 1.00 0.00 N ATOM 1528 CA MET A 102 13.142 -1.170 12.735 1.00 0.00 C ATOM 1529 C MET A 102 12.540 -0.045 11.870 1.00 0.00 C ATOM 1530 O MET A 102 12.049 0.957 12.399 1.00 0.00 O ATOM 1531 CB MET A 102 14.689 -1.263 12.529 1.00 0.00 C ATOM 1532 CG MET A 102 15.440 -2.064 13.610 1.00 0.00 C ATOM 1533 SD MET A 102 17.250 -1.951 13.494 1.00 0.00 S ATOM 1534 CE MET A 102 17.603 -2.667 11.886 1.00 0.00 C ATOM 0 H MET A 102 13.096 -3.181 12.093 1.00 0.00 H new ATOM 0 HA MET A 102 12.970 -0.935 13.785 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.885 -1.718 11.558 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.098 -0.253 12.496 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.127 -1.710 14.592 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.147 -3.112 13.540 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.678 -2.650 11.708 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.247 -3.697 11.860 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.099 -2.089 11.112 1.00 0.00 H new ATOM 1544 N ILE A 103 12.521 -0.264 10.546 1.00 0.00 N ATOM 1545 CA ILE A 103 12.014 0.719 9.570 1.00 0.00 C ATOM 1546 C ILE A 103 10.495 0.924 9.712 1.00 0.00 C ATOM 1547 O ILE A 103 10.012 2.052 9.582 1.00 0.00 O ATOM 1548 CB ILE A 103 12.422 0.322 8.100 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.980 0.430 7.958 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.683 1.176 7.025 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.526 0.182 6.571 1.00 0.00 C ATOM 0 H ILE A 103 12.857 -1.128 10.120 1.00 0.00 H new ATOM 0 HA ILE A 103 12.483 1.678 9.788 1.00 0.00 H new ATOM 0 HB ILE A 103 12.113 -0.708 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.288 1.425 8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.440 -0.282 8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.000 0.862 6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.607 1.034 7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.925 2.229 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.611 0.281 6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.257 -0.824 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.104 0.910 5.878 1.00 0.00 H new ATOM 1563 N ALA A 104 9.759 -0.155 10.036 1.00 0.00 N ATOM 1564 CA ALA A 104 8.295 -0.103 10.230 1.00 0.00 C ATOM 1565 C ALA A 104 7.947 0.735 11.468 1.00 0.00 C ATOM 1566 O ALA A 104 6.987 1.490 11.458 1.00 0.00 O ATOM 1567 CB ALA A 104 7.698 -1.516 10.353 1.00 0.00 C ATOM 0 H ALA A 104 10.158 -1.084 10.171 1.00 0.00 H new ATOM 0 HA ALA A 104 7.857 0.371 9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.620 -1.444 10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.908 -2.080 9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.143 -2.026 11.207 1.00 0.00 H new ATOM 1573 N SER A 105 8.780 0.632 12.512 1.00 0.00 N ATOM 1574 CA SER A 105 8.516 1.270 13.812 1.00 0.00 C ATOM 1575 C SER A 105 8.873 2.770 13.785 1.00 0.00 C ATOM 1576 O SER A 105 8.290 3.560 14.535 1.00 0.00 O ATOM 1577 CB SER A 105 9.273 0.520 14.931 1.00 0.00 C ATOM 1578 OG SER A 105 8.744 -0.787 15.100 1.00 0.00 O ATOM 0 H SER A 105 9.654 0.106 12.481 1.00 0.00 H new ATOM 0 HA SER A 105 7.448 1.206 14.021 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.333 0.460 14.684 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.194 1.074 15.866 1.00 0.00 H new ATOM 0 HG SER A 105 9.190 -1.403 14.481 1.00 0.00 H new ATOM 1584 N GLU A 106 9.827 3.159 12.914 1.00 0.00 N ATOM 1585 CA GLU A 106 10.218 4.579 12.747 1.00 0.00 C ATOM 1586 C GLU A 106 9.302 5.308 11.734 1.00 0.00 C ATOM 1587 O GLU A 106 9.027 6.498 11.902 1.00 0.00 O ATOM 1588 CB GLU A 106 11.716 4.715 12.355 1.00 0.00 C ATOM 1589 CG GLU A 106 12.121 3.965 11.083 1.00 0.00 C ATOM 1590 CD GLU A 106 13.625 4.036 10.781 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.068 4.997 10.116 1.00 0.00 O ATOM 1592 OE2 GLU A 106 14.375 3.136 11.216 1.00 0.00 O ATOM 0 H GLU A 106 10.341 2.513 12.315 1.00 0.00 H new ATOM 0 HA GLU A 106 10.086 5.065 13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.948 5.772 12.225 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.327 4.354 13.182 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.827 2.920 11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.569 4.376 10.238 1.00 0.00 H new ATOM 1599 N GLN A 107 8.816 4.600 10.693 1.00 0.00 N ATOM 1600 CA GLN A 107 7.942 5.224 9.664 1.00 0.00 C ATOM 1601 C GLN A 107 6.485 5.326 10.158 1.00 0.00 C ATOM 1602 O GLN A 107 5.752 6.235 9.758 1.00 0.00 O ATOM 1603 CB GLN A 107 8.015 4.474 8.302 1.00 0.00 C ATOM 1604 CG GLN A 107 7.364 3.073 8.266 1.00 0.00 C ATOM 1605 CD GLN A 107 7.601 2.292 6.961 1.00 0.00 C ATOM 1606 OE1 GLN A 107 7.678 1.064 6.968 1.00 0.00 O ATOM 1607 NE2 GLN A 107 7.697 2.983 5.830 1.00 0.00 N ATOM 0 H GLN A 107 9.007 3.610 10.539 1.00 0.00 H new ATOM 0 HA GLN A 107 8.317 6.234 9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.539 5.094 7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.063 4.373 8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.748 2.486 9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.290 3.181 8.420 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.630 4.001 5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.837 2.496 4.945 1.00 0.00 H new ATOM 1616 N GLN A 108 6.064 4.380 11.023 1.00 0.00 N ATOM 1617 CA GLN A 108 4.725 4.405 11.642 1.00 0.00 C ATOM 1618 C GLN A 108 4.817 5.153 12.991 1.00 0.00 C ATOM 1619 O GLN A 108 5.334 4.573 13.968 1.00 0.00 O ATOM 1620 CB GLN A 108 4.163 2.959 11.822 1.00 0.00 C ATOM 1621 CG GLN A 108 4.085 2.124 10.520 1.00 0.00 C ATOM 1622 CD GLN A 108 3.200 2.740 9.434 1.00 0.00 C ATOM 1623 OE1 GLN A 108 3.779 3.578 8.588 1.00 0.00 O flip ATOM 1624 NE2 GLN A 108 2.007 2.456 9.354 1.00 0.00 N flip ATOM 1625 OXT GLN A 108 4.420 6.333 13.057 1.00 0.00 O ATOM 0 H GLN A 108 6.637 3.586 11.309 1.00 0.00 H new ATOM 0 HA GLN A 108 4.028 4.931 10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.788 2.428 12.540 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.165 3.024 12.255 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.092 1.995 10.123 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.708 1.130 10.761 1.00 0.00 H new ATOM 0 HE21 GLN A 108 1.591 1.807 10.022 1.00 0.00 H new ATOM 0 HE22 GLN A 108 1.432 2.870 8.620 1.00 0.00 H new