USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 763 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 LYS NZ :NH3+ -136:sc= -6.92! (180deg=-1.99!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -113:sc= -3.8 (180deg=-4.93!) USER MOD Set 2.1: A 13 GLN : amide:sc= -0.454 X(o=-1.3,f=-1.1) USER MOD Set 2.2: A 16 GLN : amide:sc= -0.877 K(o=-1.3,f=-2.5!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -0.0871 (180deg=-0.579) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -141:sc= -0.203 (180deg=-1.31) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -167:sc=-0.00279 (180deg=-0.195) USER MOD Single : A 44 SER OG : rot -141:sc= 0.726 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.035 (180deg=-0.498) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.7! C(o=-2.7!,f=-6!) USER MOD Single : A 60 LYS NZ :NH3+ 149:sc= -0.15 (180deg=-0.829) USER MOD Single : A 73 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 76 SER OG : rot -113:sc= 0.68 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -147:sc= -1.46 (180deg=-4.97!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N GLN A 9 -10.829 135.199 121.275 1.00 0.00 N ATOM 16 CA GLN A 9 -11.923 135.335 122.229 1.00 0.00 C ATOM 17 C GLN A 9 -13.282 135.355 121.529 1.00 0.00 C ATOM 18 O GLN A 9 -14.291 134.954 122.107 1.00 0.00 O ATOM 19 CB GLN A 9 -11.750 136.623 123.036 1.00 0.00 C ATOM 20 CG GLN A 9 -10.479 136.530 123.882 1.00 0.00 C ATOM 21 CD GLN A 9 -10.269 137.829 124.651 1.00 0.00 C ATOM 22 OE1 GLN A 9 -10.869 138.852 124.321 1.00 0.00 O ATOM 23 NE2 GLN A 9 -9.447 137.852 125.666 1.00 0.00 N ATOM 0 HA GLN A 9 -11.894 134.471 122.892 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.691 137.480 122.365 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.616 136.781 123.679 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.555 135.694 124.578 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.619 136.334 123.241 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.950 137.004 125.939 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.302 138.718 126.185 1.00 0.00 H new ATOM 32 N ARG A 10 -13.305 135.854 120.296 1.00 0.00 N ATOM 33 CA ARG A 10 -14.556 135.958 119.548 1.00 0.00 C ATOM 34 C ARG A 10 -15.221 134.598 119.379 1.00 0.00 C ATOM 35 O ARG A 10 -16.435 134.476 119.521 1.00 0.00 O ATOM 36 CB ARG A 10 -14.280 136.550 118.167 1.00 0.00 C ATOM 37 CG ARG A 10 -13.730 137.966 118.322 1.00 0.00 C ATOM 38 CD ARG A 10 -13.576 138.607 116.942 1.00 0.00 C ATOM 39 NE ARG A 10 -12.728 137.780 116.092 1.00 0.00 N ATOM 40 CZ ARG A 10 -11.405 137.805 116.209 1.00 0.00 C ATOM 41 NH1 ARG A 10 -10.667 137.055 115.436 1.00 0.00 N1+ ATOM 42 NH2 ARG A 10 -10.843 138.580 117.096 1.00 0.00 N ATOM 0 H ARG A 10 -12.481 136.190 119.797 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.229 136.604 120.112 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.565 135.927 117.629 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.196 136.567 117.577 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.402 138.563 118.939 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.767 137.940 118.832 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.555 138.731 116.480 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.142 139.602 117.042 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.158 137.172 115.395 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.106 136.450 114.742 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.651 137.074 115.526 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.420 139.166 117.699 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.827 138.599 117.186 1.00 0.00 H new ATOM 56 N VAL A 11 -14.429 133.577 119.090 1.00 0.00 N ATOM 57 CA VAL A 11 -14.982 132.240 118.919 1.00 0.00 C ATOM 58 C VAL A 11 -15.693 131.810 120.195 1.00 0.00 C ATOM 59 O VAL A 11 -16.756 131.193 120.150 1.00 0.00 O ATOM 60 CB VAL A 11 -13.867 131.248 118.553 1.00 0.00 C ATOM 61 CG1 VAL A 11 -14.394 129.809 118.611 1.00 0.00 C ATOM 62 CG2 VAL A 11 -13.385 131.542 117.131 1.00 0.00 C ATOM 0 H VAL A 11 -13.418 133.644 118.970 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.707 132.252 118.105 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.047 131.357 119.263 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.593 129.117 118.349 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.747 129.591 119.619 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.217 129.694 117.906 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.593 130.842 116.863 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -14.217 131.433 116.435 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.001 132.561 117.080 1.00 0.00 H new ATOM 72 N ALA A 12 -15.103 132.151 121.332 1.00 0.00 N ATOM 73 CA ALA A 12 -15.699 131.802 122.612 1.00 0.00 C ATOM 74 C ALA A 12 -17.045 132.497 122.764 1.00 0.00 C ATOM 75 O ALA A 12 -18.005 131.908 123.251 1.00 0.00 O ATOM 76 CB ALA A 12 -14.768 132.204 123.759 1.00 0.00 C ATOM 0 H ALA A 12 -14.223 132.663 121.394 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.850 130.723 122.647 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.227 131.937 124.711 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.817 131.682 123.656 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.596 133.280 123.728 1.00 0.00 H new ATOM 82 N GLN A 13 -17.112 133.750 122.328 1.00 0.00 N ATOM 83 CA GLN A 13 -18.359 134.507 122.410 1.00 0.00 C ATOM 84 C GLN A 13 -19.438 133.834 121.593 1.00 0.00 C ATOM 85 O GLN A 13 -20.596 133.767 122.003 1.00 0.00 O ATOM 86 CB GLN A 13 -18.150 135.921 121.878 1.00 0.00 C ATOM 87 CG GLN A 13 -17.139 136.659 122.752 1.00 0.00 C ATOM 88 CD GLN A 13 -17.708 136.878 124.149 1.00 0.00 C ATOM 89 OE1 GLN A 13 -18.839 137.341 124.295 1.00 0.00 O ATOM 90 NE2 GLN A 13 -16.988 136.570 125.193 1.00 0.00 N ATOM 0 H GLN A 13 -16.329 134.259 121.919 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.665 134.547 123.455 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.795 135.883 120.848 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -19.098 136.459 121.869 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.214 136.085 122.814 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.889 137.618 122.299 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.051 136.186 125.071 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.362 136.713 126.131 1.00 0.00 H new ATOM 99 N GLU A 14 -19.046 133.321 120.437 1.00 0.00 N ATOM 100 CA GLU A 14 -19.997 132.640 119.586 1.00 0.00 C ATOM 101 C GLU A 14 -20.536 131.446 120.337 1.00 0.00 C ATOM 102 O GLU A 14 -21.719 131.120 120.256 1.00 0.00 O ATOM 103 CB GLU A 14 -19.318 132.178 118.295 1.00 0.00 C ATOM 104 CG GLU A 14 -18.902 133.396 117.474 1.00 0.00 C ATOM 105 CD GLU A 14 -18.270 132.948 116.161 1.00 0.00 C ATOM 106 OE1 GLU A 14 -18.029 131.760 116.017 1.00 0.00 O ATOM 107 OE2 GLU A 14 -18.035 133.798 115.319 1.00 0.00 O1- ATOM 0 H GLU A 14 -18.093 133.364 120.075 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.809 133.318 119.322 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.445 131.568 118.529 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.998 131.552 117.718 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.770 134.024 117.274 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.194 134.002 118.040 1.00 0.00 H new ATOM 114 N MET A 15 -19.655 130.814 121.094 1.00 0.00 N ATOM 115 CA MET A 15 -20.053 129.666 121.893 1.00 0.00 C ATOM 116 C MET A 15 -20.925 130.104 123.064 1.00 0.00 C ATOM 117 O MET A 15 -21.927 129.468 123.371 1.00 0.00 O ATOM 118 CB MET A 15 -18.825 128.901 122.397 1.00 0.00 C ATOM 119 CG MET A 15 -18.126 128.224 121.213 1.00 0.00 C ATOM 120 SD MET A 15 -16.793 127.157 121.819 1.00 0.00 S ATOM 121 CE MET A 15 -16.249 126.515 120.212 1.00 0.00 C ATOM 0 H MET A 15 -18.671 131.072 121.173 1.00 0.00 H new ATOM 0 HA MET A 15 -20.635 128.998 121.259 1.00 0.00 H new ATOM 0 HB2 MET A 15 -18.138 129.583 122.897 1.00 0.00 H new ATOM 0 HB3 MET A 15 -19.125 128.154 123.132 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.844 127.636 120.642 1.00 0.00 H new ATOM 0 HG3 MET A 15 -17.722 128.978 120.537 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.418 125.824 120.358 1.00 0.00 H new ATOM 0 HE2 MET A 15 -17.075 125.992 119.731 1.00 0.00 H new ATOM 0 HE3 MET A 15 -15.926 127.342 119.580 1.00 0.00 H new ATOM 131 N GLN A 16 -20.553 131.203 123.708 1.00 0.00 N ATOM 132 CA GLN A 16 -21.338 131.700 124.833 1.00 0.00 C ATOM 133 C GLN A 16 -22.748 132.037 124.391 1.00 0.00 C ATOM 134 O GLN A 16 -23.717 131.747 125.091 1.00 0.00 O ATOM 135 CB GLN A 16 -20.689 132.948 125.437 1.00 0.00 C ATOM 136 CG GLN A 16 -19.399 132.560 126.155 1.00 0.00 C ATOM 137 CD GLN A 16 -18.689 133.810 126.666 1.00 0.00 C ATOM 138 OE1 GLN A 16 -18.993 134.920 126.227 1.00 0.00 O ATOM 139 NE2 GLN A 16 -17.757 133.696 127.572 1.00 0.00 N ATOM 0 H GLN A 16 -19.729 131.759 123.478 1.00 0.00 H new ATOM 0 HA GLN A 16 -21.374 130.914 125.587 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -20.476 133.675 124.653 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -21.376 133.425 126.136 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.623 131.893 126.988 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.746 132.013 125.476 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.507 132.776 127.934 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.278 134.527 127.918 1.00 0.00 H new ATOM 148 N LYS A 17 -22.853 132.651 123.226 1.00 0.00 N ATOM 149 CA LYS A 17 -24.155 133.022 122.694 1.00 0.00 C ATOM 150 C LYS A 17 -24.997 131.793 122.394 1.00 0.00 C ATOM 151 O LYS A 17 -26.151 131.695 122.814 1.00 0.00 O ATOM 152 CB LYS A 17 -23.967 133.848 121.417 1.00 0.00 C ATOM 153 CG LYS A 17 -25.330 134.166 120.797 1.00 0.00 C ATOM 154 CD LYS A 17 -25.148 135.142 119.633 1.00 0.00 C ATOM 155 CE LYS A 17 -26.518 135.581 119.115 1.00 0.00 C ATOM 156 NZ LYS A 17 -27.209 136.389 120.161 1.00 0.00 N1+ ATOM 0 H LYS A 17 -22.061 132.902 122.634 1.00 0.00 H new ATOM 0 HA LYS A 17 -24.678 133.614 123.445 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -23.437 134.773 121.646 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -23.353 133.297 120.704 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -25.804 133.249 120.446 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -25.991 134.599 121.548 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -24.576 136.010 119.959 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -24.580 134.668 118.833 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -26.403 136.168 118.204 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -27.119 134.708 118.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -27.935 136.986 119.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -27.659 135.753 120.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -26.516 136.992 120.648 1.00 0.00 H new ATOM 170 N GLU A 18 -24.414 130.871 121.655 1.00 0.00 N ATOM 171 CA GLU A 18 -25.118 129.651 121.283 1.00 0.00 C ATOM 172 C GLU A 18 -25.420 128.833 122.518 1.00 0.00 C ATOM 173 O GLU A 18 -26.466 128.196 122.628 1.00 0.00 O ATOM 174 CB GLU A 18 -24.272 128.843 120.302 1.00 0.00 C ATOM 175 CG GLU A 18 -24.177 129.611 118.985 1.00 0.00 C ATOM 176 CD GLU A 18 -23.330 128.839 117.981 1.00 0.00 C ATOM 177 OE1 GLU A 18 -22.663 127.907 118.391 1.00 0.00 O ATOM 178 OE2 GLU A 18 -23.363 129.193 116.813 1.00 0.00 O1- ATOM 0 H GLU A 18 -23.460 130.938 121.300 1.00 0.00 H new ATOM 0 HA GLU A 18 -26.059 129.913 120.800 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -23.277 128.674 120.713 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -24.719 127.863 120.136 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -25.175 129.774 118.579 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -23.739 130.594 119.160 1.00 0.00 H new ATOM 185 N ILE A 19 -24.501 128.890 123.456 1.00 0.00 N ATOM 186 CA ILE A 19 -24.678 128.180 124.719 1.00 0.00 C ATOM 187 C ILE A 19 -25.758 128.872 125.531 1.00 0.00 C ATOM 188 O ILE A 19 -26.604 128.227 126.142 1.00 0.00 O ATOM 189 CB ILE A 19 -23.346 128.100 125.490 1.00 0.00 C ATOM 190 CG1 ILE A 19 -22.418 127.087 124.793 1.00 0.00 C ATOM 191 CG2 ILE A 19 -23.589 127.649 126.939 1.00 0.00 C ATOM 192 CD1 ILE A 19 -20.978 127.296 125.268 1.00 0.00 C ATOM 0 H ILE A 19 -23.629 129.413 123.377 1.00 0.00 H new ATOM 0 HA ILE A 19 -24.994 127.155 124.523 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.885 129.088 125.501 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.741 126.070 125.016 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -22.476 127.210 123.712 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.638 127.598 127.469 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.244 128.364 127.437 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.058 126.665 126.940 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -20.324 126.578 124.773 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -20.657 128.308 125.022 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.926 127.151 126.347 1.00 0.00 H new ATOM 204 N ALA A 20 -25.739 130.192 125.492 1.00 0.00 N ATOM 205 CA ALA A 20 -26.735 130.977 126.186 1.00 0.00 C ATOM 206 C ALA A 20 -28.080 130.696 125.558 1.00 0.00 C ATOM 207 O ALA A 20 -29.109 130.645 126.233 1.00 0.00 O ATOM 208 CB ALA A 20 -26.409 132.468 126.076 1.00 0.00 C ATOM 0 H ALA A 20 -25.043 130.740 124.986 1.00 0.00 H new ATOM 0 HA ALA A 20 -26.748 130.709 127.242 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -27.168 133.046 126.603 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -25.432 132.661 126.520 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -26.394 132.761 125.026 1.00 0.00 H new ATOM 214 N LEU A 21 -28.050 130.526 124.242 1.00 0.00 N ATOM 215 CA LEU A 21 -29.259 130.262 123.493 1.00 0.00 C ATOM 216 C LEU A 21 -29.864 128.917 123.878 1.00 0.00 C ATOM 217 O LEU A 21 -31.039 128.838 124.232 1.00 0.00 O ATOM 218 CB LEU A 21 -28.936 130.272 121.993 1.00 0.00 C ATOM 219 CG LEU A 21 -30.212 130.113 121.142 1.00 0.00 C ATOM 220 CD1 LEU A 21 -31.110 131.362 121.268 1.00 0.00 C ATOM 221 CD2 LEU A 21 -29.792 129.918 119.680 1.00 0.00 C ATOM 0 H LEU A 21 -27.201 130.567 123.678 1.00 0.00 H new ATOM 0 HA LEU A 21 -29.987 131.039 123.725 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -28.437 131.206 121.733 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -28.241 129.465 121.764 1.00 0.00 H new ATOM 0 HG LEU A 21 -30.782 129.252 121.493 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -32.005 131.230 120.660 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -31.397 131.500 122.310 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -30.563 132.239 120.923 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -30.680 129.803 119.059 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -29.225 130.787 119.345 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -29.172 129.025 119.595 1.00 0.00 H new ATOM 233 N ILE A 22 -29.064 127.861 123.814 1.00 0.00 N ATOM 234 CA ILE A 22 -29.560 126.539 124.167 1.00 0.00 C ATOM 235 C ILE A 22 -29.818 126.442 125.660 1.00 0.00 C ATOM 236 O ILE A 22 -30.746 125.765 126.102 1.00 0.00 O ATOM 237 CB ILE A 22 -28.565 125.465 123.739 1.00 0.00 C ATOM 238 CG1 ILE A 22 -28.389 125.526 122.218 1.00 0.00 C ATOM 239 CG2 ILE A 22 -29.107 124.090 124.141 1.00 0.00 C ATOM 240 CD1 ILE A 22 -27.217 124.639 121.797 1.00 0.00 C ATOM 0 H ILE A 22 -28.086 127.892 123.526 1.00 0.00 H new ATOM 0 HA ILE A 22 -30.501 126.379 123.641 1.00 0.00 H new ATOM 0 HB ILE A 22 -27.603 125.631 124.224 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -29.303 125.196 121.723 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -28.210 126.554 121.904 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -28.400 123.317 123.838 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -29.242 124.054 125.222 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -30.065 123.919 123.650 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -27.096 124.686 120.715 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -26.304 124.989 122.280 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -27.414 123.610 122.096 1.00 0.00 H new ATOM 252 N LEU A 23 -28.983 127.118 126.429 1.00 0.00 N ATOM 253 CA LEU A 23 -29.117 127.099 127.879 1.00 0.00 C ATOM 254 C LEU A 23 -30.477 127.627 128.306 1.00 0.00 C ATOM 255 O LEU A 23 -31.078 127.113 129.245 1.00 0.00 O ATOM 256 CB LEU A 23 -27.998 127.928 128.526 1.00 0.00 C ATOM 257 CG LEU A 23 -28.184 128.020 130.051 1.00 0.00 C ATOM 258 CD1 LEU A 23 -28.295 126.614 130.663 1.00 0.00 C ATOM 259 CD2 LEU A 23 -26.969 128.746 130.647 1.00 0.00 C ATOM 0 H LEU A 23 -28.210 127.684 126.079 1.00 0.00 H new ATOM 0 HA LEU A 23 -29.032 126.066 128.216 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -27.031 127.477 128.301 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -27.990 128.930 128.097 1.00 0.00 H new ATOM 0 HG LEU A 23 -29.100 128.567 130.274 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -28.426 126.696 131.742 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -29.152 126.096 130.232 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -27.386 126.052 130.450 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -27.084 128.820 131.728 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -26.062 128.187 130.416 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -26.897 129.746 130.220 1.00 0.00 H new ATOM 271 N GLN A 24 -30.951 128.661 127.620 1.00 0.00 N ATOM 272 CA GLN A 24 -32.241 129.266 127.939 1.00 0.00 C ATOM 273 C GLN A 24 -33.386 128.479 127.316 1.00 0.00 C ATOM 274 O GLN A 24 -34.414 128.251 127.948 1.00 0.00 O ATOM 275 CB GLN A 24 -32.272 130.708 127.425 1.00 0.00 C ATOM 276 CG GLN A 24 -33.530 131.415 127.941 1.00 0.00 C ATOM 277 CD GLN A 24 -33.605 132.825 127.364 1.00 0.00 C ATOM 278 OE1 GLN A 24 -33.769 132.995 126.156 1.00 0.00 O ATOM 279 NE2 GLN A 24 -33.495 133.852 128.161 1.00 0.00 N ATOM 0 H GLN A 24 -30.462 129.099 126.839 1.00 0.00 H new ATOM 0 HA GLN A 24 -32.366 129.254 129.022 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -31.381 131.242 127.757 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -32.260 130.716 126.335 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -34.418 130.849 127.659 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -33.513 131.458 129.030 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -33.359 133.709 129.162 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -33.545 134.798 127.783 1.00 0.00 H new ATOM 288 N ARG A 25 -33.208 128.106 126.062 1.00 0.00 N ATOM 289 CA ARG A 25 -34.237 127.376 125.331 1.00 0.00 C ATOM 290 C ARG A 25 -34.411 125.939 125.808 1.00 0.00 C ATOM 291 O ARG A 25 -35.525 125.414 125.819 1.00 0.00 O ATOM 292 CB ARG A 25 -33.902 127.364 123.849 1.00 0.00 C ATOM 293 CG ARG A 25 -34.009 128.784 123.290 1.00 0.00 C ATOM 294 CD ARG A 25 -33.763 128.757 121.781 1.00 0.00 C ATOM 295 NE ARG A 25 -34.888 128.128 121.097 1.00 0.00 N ATOM 296 CZ ARG A 25 -34.957 128.099 119.770 1.00 0.00 C ATOM 297 NH1 ARG A 25 -35.974 127.531 119.182 1.00 0.00 N1+ ATOM 298 NH2 ARG A 25 -34.008 128.639 119.056 1.00 0.00 N ATOM 0 H ARG A 25 -32.362 128.295 125.525 1.00 0.00 H new ATOM 0 HA ARG A 25 -35.176 127.897 125.517 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -32.895 126.977 123.696 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -34.583 126.700 123.317 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -34.996 129.196 123.501 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -33.281 129.434 123.776 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -33.624 129.772 121.410 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -32.845 128.210 121.565 1.00 0.00 H new ATOM 0 HE ARG A 25 -35.635 127.703 121.647 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -36.716 127.109 119.741 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -36.027 127.509 118.164 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -33.213 129.083 119.516 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -34.061 128.617 118.038 1.00 0.00 H new ATOM 312 N GLU A 26 -33.318 125.299 126.171 1.00 0.00 N ATOM 313 CA GLU A 26 -33.382 123.911 126.610 1.00 0.00 C ATOM 314 C GLU A 26 -33.997 123.835 127.999 1.00 0.00 C ATOM 315 O GLU A 26 -34.398 122.768 128.463 1.00 0.00 O ATOM 316 CB GLU A 26 -31.970 123.305 126.612 1.00 0.00 C ATOM 317 CG GLU A 26 -32.035 121.776 126.746 1.00 0.00 C ATOM 318 CD GLU A 26 -32.667 121.164 125.500 1.00 0.00 C ATOM 319 OE1 GLU A 26 -32.608 121.797 124.459 1.00 0.00 O ATOM 320 OE2 GLU A 26 -33.199 120.072 125.605 1.00 0.00 O1- ATOM 0 H GLU A 26 -32.383 125.707 126.173 1.00 0.00 H new ATOM 0 HA GLU A 26 -34.008 123.342 125.923 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -31.453 123.573 125.691 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -31.391 123.723 127.435 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -31.032 121.373 126.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -32.616 121.505 127.628 1.00 0.00 H new ATOM 327 N ILE A 27 -34.079 124.988 128.664 1.00 0.00 N ATOM 328 CA ILE A 27 -34.659 125.067 130.030 1.00 0.00 C ATOM 329 C ILE A 27 -35.843 126.032 130.064 1.00 0.00 C ATOM 330 O ILE A 27 -35.880 127.009 129.320 1.00 0.00 O ATOM 331 CB ILE A 27 -33.576 125.533 131.029 1.00 0.00 C ATOM 332 CG1 ILE A 27 -34.043 125.250 132.468 1.00 0.00 C ATOM 333 CG2 ILE A 27 -33.295 127.042 130.864 1.00 0.00 C ATOM 334 CD1 ILE A 27 -32.912 125.579 133.445 1.00 0.00 C ATOM 0 H ILE A 27 -33.757 125.882 128.293 1.00 0.00 H new ATOM 0 HA ILE A 27 -35.015 124.076 130.312 1.00 0.00 H new ATOM 0 HB ILE A 27 -32.657 124.983 130.826 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -34.924 125.848 132.700 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -34.332 124.204 132.569 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -32.530 127.350 131.577 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -32.947 127.238 129.850 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -34.210 127.605 131.049 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -33.242 125.379 134.464 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -32.043 124.962 133.217 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -32.644 126.631 133.350 1.00 0.00 H new ATOM 346 N LYS A 28 -36.804 125.765 130.943 1.00 0.00 N ATOM 347 CA LYS A 28 -37.959 126.643 131.060 1.00 0.00 C ATOM 348 C LYS A 28 -37.550 127.903 131.815 1.00 0.00 C ATOM 349 O LYS A 28 -37.218 127.849 132.999 1.00 0.00 O ATOM 350 CB LYS A 28 -39.088 125.933 131.809 1.00 0.00 C ATOM 351 CG LYS A 28 -39.571 124.734 130.991 1.00 0.00 C ATOM 352 CD LYS A 28 -40.778 124.098 131.682 1.00 0.00 C ATOM 353 CE LYS A 28 -41.190 122.832 130.928 1.00 0.00 C ATOM 354 NZ LYS A 28 -42.504 122.352 131.443 1.00 0.00 N1+ ATOM 0 H LYS A 28 -36.806 124.963 131.573 1.00 0.00 H new ATOM 0 HA LYS A 28 -38.315 126.908 130.065 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -38.738 125.602 132.787 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -39.913 126.624 131.983 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -39.841 125.052 129.984 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -38.769 124.003 130.890 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -40.532 123.855 132.716 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -41.608 124.804 131.710 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -41.259 123.038 129.860 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -40.433 122.058 131.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -42.784 121.491 130.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -42.423 122.140 132.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -43.223 123.090 131.300 1.00 0.00 H new ATOM 368 N ASP A 29 -37.558 129.032 131.116 1.00 0.00 N ATOM 369 CA ASP A 29 -37.163 130.298 131.723 1.00 0.00 C ATOM 370 C ASP A 29 -38.196 130.787 132.750 1.00 0.00 C ATOM 371 O ASP A 29 -37.823 131.341 133.783 1.00 0.00 O ATOM 372 CB ASP A 29 -36.930 131.368 130.628 1.00 0.00 C ATOM 373 CG ASP A 29 -36.461 130.701 129.338 1.00 0.00 C ATOM 374 OD1 ASP A 29 -35.624 129.817 129.422 1.00 0.00 O ATOM 375 OD2 ASP A 29 -36.945 131.084 128.285 1.00 0.00 O1- ATOM 0 H ASP A 29 -37.831 129.097 130.136 1.00 0.00 H new ATOM 0 HA ASP A 29 -36.229 130.132 132.259 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -37.851 131.921 130.447 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -36.186 132.090 130.965 1.00 0.00 H new ATOM 380 N PRO A 30 -39.472 130.616 132.490 1.00 0.00 N ATOM 381 CA PRO A 30 -40.543 131.079 133.427 1.00 0.00 C ATOM 382 C PRO A 30 -40.396 130.489 134.835 1.00 0.00 C ATOM 383 O PRO A 30 -40.668 131.163 135.829 1.00 0.00 O ATOM 384 CB PRO A 30 -41.852 130.610 132.744 1.00 0.00 C ATOM 385 CG PRO A 30 -41.491 130.457 131.298 1.00 0.00 C ATOM 386 CD PRO A 30 -40.045 129.970 131.293 1.00 0.00 C ATOM 0 HA PRO A 30 -40.507 132.156 133.588 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -42.204 129.669 133.166 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -42.652 131.338 132.878 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -42.148 129.743 130.802 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -41.589 131.403 130.766 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -39.985 128.883 131.353 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -39.522 130.268 130.384 1.00 0.00 H new ATOM 394 N ARG A 31 -39.979 129.229 134.913 1.00 0.00 N ATOM 395 CA ARG A 31 -39.822 128.569 136.206 1.00 0.00 C ATOM 396 C ARG A 31 -38.809 129.306 137.081 1.00 0.00 C ATOM 397 O ARG A 31 -38.986 129.408 138.296 1.00 0.00 O ATOM 398 CB ARG A 31 -39.367 127.122 135.999 1.00 0.00 C ATOM 399 CG ARG A 31 -39.376 126.379 137.338 1.00 0.00 C ATOM 400 CD ARG A 31 -38.902 124.941 137.126 1.00 0.00 C ATOM 401 NE ARG A 31 -39.027 124.181 138.365 1.00 0.00 N ATOM 402 CZ ARG A 31 -40.219 123.843 138.845 1.00 0.00 C ATOM 403 NH1 ARG A 31 -40.306 123.163 139.956 1.00 0.00 N1+ ATOM 404 NH2 ARG A 31 -41.303 124.190 138.207 1.00 0.00 N ATOM 0 H ARG A 31 -39.746 128.649 134.107 1.00 0.00 H new ATOM 0 HA ARG A 31 -40.787 128.581 136.713 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -40.027 126.621 135.290 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -38.365 127.104 135.569 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -38.726 126.886 138.052 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -40.380 126.383 137.762 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -39.491 124.468 136.340 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -37.864 124.938 136.792 1.00 0.00 H new ATOM 0 HE ARG A 31 -38.186 123.905 138.871 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -39.459 122.891 140.455 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -41.221 122.903 140.325 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -41.236 124.721 137.339 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -42.218 123.930 138.576 1.00 0.00 H new ATOM 418 N LEU A 32 -37.745 129.822 136.460 1.00 0.00 N ATOM 419 CA LEU A 32 -36.701 130.556 137.192 1.00 0.00 C ATOM 420 C LEU A 32 -37.002 132.053 137.200 1.00 0.00 C ATOM 421 O LEU A 32 -36.290 132.835 137.830 1.00 0.00 O ATOM 422 CB LEU A 32 -35.335 130.304 136.546 1.00 0.00 C ATOM 423 CG LEU A 32 -35.058 128.792 136.448 1.00 0.00 C ATOM 424 CD1 LEU A 32 -33.663 128.583 135.847 1.00 0.00 C ATOM 425 CD2 LEU A 32 -35.129 128.139 137.846 1.00 0.00 C ATOM 0 H LEU A 32 -37.581 129.747 135.456 1.00 0.00 H new ATOM 0 HA LEU A 32 -36.684 130.199 138.222 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -35.308 130.750 135.552 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -34.553 130.786 137.133 1.00 0.00 H new ATOM 0 HG LEU A 32 -35.812 128.327 135.813 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -33.455 127.516 135.773 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -33.624 129.030 134.854 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -32.917 129.054 136.487 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -34.931 127.071 137.759 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -34.384 128.594 138.498 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -36.122 128.291 138.268 1.00 0.00 H new ATOM 437 N GLY A 33 -38.069 132.445 136.503 1.00 0.00 N ATOM 438 CA GLY A 33 -38.474 133.853 136.438 1.00 0.00 C ATOM 439 C GLY A 33 -37.813 134.574 135.264 1.00 0.00 C ATOM 440 O GLY A 33 -37.969 135.784 135.106 1.00 0.00 O ATOM 0 H GLY A 33 -38.669 131.810 135.976 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -39.558 133.916 136.341 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -38.207 134.352 137.369 1.00 0.00 H new ATOM 444 N MET A 34 -37.088 133.824 134.439 1.00 0.00 N ATOM 445 CA MET A 34 -36.418 134.404 133.276 1.00 0.00 C ATOM 446 C MET A 34 -35.323 135.384 133.715 1.00 0.00 C ATOM 447 O MET A 34 -34.641 135.981 132.884 1.00 0.00 O ATOM 448 CB MET A 34 -37.451 135.123 132.388 1.00 0.00 C ATOM 449 CG MET A 34 -36.918 135.280 130.958 1.00 0.00 C ATOM 450 SD MET A 34 -38.137 136.169 129.957 1.00 0.00 S ATOM 451 CE MET A 34 -37.253 136.071 128.381 1.00 0.00 C ATOM 0 H MET A 34 -36.949 132.820 134.552 1.00 0.00 H new ATOM 0 HA MET A 34 -35.949 133.603 132.705 1.00 0.00 H new ATOM 0 HB2 MET A 34 -38.383 134.558 132.374 1.00 0.00 H new ATOM 0 HB3 MET A 34 -37.679 136.103 132.807 1.00 0.00 H new ATOM 0 HG2 MET A 34 -35.973 135.823 130.968 1.00 0.00 H new ATOM 0 HG3 MET A 34 -36.718 134.301 130.523 1.00 0.00 H new ATOM 0 HE1 MET A 34 -37.836 136.567 127.605 1.00 0.00 H new ATOM 0 HE2 MET A 34 -36.284 136.562 128.476 1.00 0.00 H new ATOM 0 HE3 MET A 34 -37.105 135.025 128.111 1.00 0.00 H new ATOM 461 N MET A 35 -35.156 135.540 135.024 1.00 0.00 N ATOM 462 CA MET A 35 -34.139 136.450 135.551 1.00 0.00 C ATOM 463 C MET A 35 -32.758 135.801 135.504 1.00 0.00 C ATOM 464 O MET A 35 -31.801 136.320 136.080 1.00 0.00 O ATOM 465 CB MET A 35 -34.461 136.828 137.002 1.00 0.00 C ATOM 466 CG MET A 35 -35.899 137.348 137.114 1.00 0.00 C ATOM 467 SD MET A 35 -36.138 138.765 136.010 1.00 0.00 S ATOM 468 CE MET A 35 -34.943 139.874 136.798 1.00 0.00 C ATOM 0 H MET A 35 -35.704 135.055 135.735 1.00 0.00 H new ATOM 0 HA MET A 35 -34.138 137.346 134.930 1.00 0.00 H new ATOM 0 HB2 MET A 35 -34.330 135.960 137.648 1.00 0.00 H new ATOM 0 HB3 MET A 35 -33.764 137.591 137.349 1.00 0.00 H new ATOM 0 HG2 MET A 35 -36.601 136.555 136.858 1.00 0.00 H new ATOM 0 HG3 MET A 35 -36.109 137.640 138.143 1.00 0.00 H new ATOM 0 HE1 MET A 35 -35.341 140.888 136.811 1.00 0.00 H new ATOM 0 HE2 MET A 35 -34.759 139.544 137.820 1.00 0.00 H new ATOM 0 HE3 MET A 35 -34.008 139.858 136.238 1.00 0.00 H new ATOM 478 N THR A 36 -32.657 134.659 134.826 1.00 0.00 N ATOM 479 CA THR A 36 -31.381 133.952 134.731 1.00 0.00 C ATOM 480 C THR A 36 -30.467 134.595 133.692 1.00 0.00 C ATOM 481 O THR A 36 -30.874 134.849 132.558 1.00 0.00 O ATOM 482 CB THR A 36 -31.625 132.489 134.357 1.00 0.00 C ATOM 483 OG1 THR A 36 -32.514 131.904 135.297 1.00 0.00 O ATOM 484 CG2 THR A 36 -30.298 131.728 134.366 1.00 0.00 C ATOM 0 H THR A 36 -33.432 134.208 134.340 1.00 0.00 H new ATOM 0 HA THR A 36 -30.891 134.010 135.703 1.00 0.00 H new ATOM 0 HB THR A 36 -32.063 132.438 133.360 1.00 0.00 H new ATOM 0 HG1 THR A 36 -32.673 130.967 135.058 1.00 0.00 H new ATOM 0 HG21 THR A 36 -30.474 130.686 134.099 1.00 0.00 H new ATOM 0 HG22 THR A 36 -29.616 132.177 133.644 1.00 0.00 H new ATOM 0 HG23 THR A 36 -29.857 131.778 135.361 1.00 0.00 H new ATOM 492 N THR A 37 -29.218 134.847 134.096 1.00 0.00 N ATOM 493 CA THR A 37 -28.200 135.453 133.221 1.00 0.00 C ATOM 494 C THR A 37 -26.909 134.646 133.291 1.00 0.00 C ATOM 495 O THR A 37 -26.565 134.109 134.344 1.00 0.00 O ATOM 496 CB THR A 37 -27.925 136.892 133.664 1.00 0.00 C ATOM 497 OG1 THR A 37 -29.140 137.629 133.656 1.00 0.00 O ATOM 498 CG2 THR A 37 -26.923 137.543 132.707 1.00 0.00 C ATOM 0 H THR A 37 -28.881 134.639 135.036 1.00 0.00 H new ATOM 0 HA THR A 37 -28.570 135.454 132.196 1.00 0.00 H new ATOM 0 HB THR A 37 -27.509 136.888 134.671 1.00 0.00 H new ATOM 0 HG1 THR A 37 -28.966 138.550 133.941 1.00 0.00 H new ATOM 0 HG21 THR A 37 -26.729 138.567 133.025 1.00 0.00 H new ATOM 0 HG22 THR A 37 -25.991 136.978 132.716 1.00 0.00 H new ATOM 0 HG23 THR A 37 -27.334 137.548 131.698 1.00 0.00 H new ATOM 506 N VAL A 38 -26.181 134.565 132.171 1.00 0.00 N ATOM 507 CA VAL A 38 -24.914 133.821 132.135 1.00 0.00 C ATOM 508 C VAL A 38 -23.746 134.769 132.388 1.00 0.00 C ATOM 509 O VAL A 38 -23.527 135.717 131.634 1.00 0.00 O ATOM 510 CB VAL A 38 -24.742 133.159 130.766 1.00 0.00 C ATOM 511 CG1 VAL A 38 -23.468 132.312 130.765 1.00 0.00 C ATOM 512 CG2 VAL A 38 -25.948 132.261 130.480 1.00 0.00 C ATOM 0 H VAL A 38 -26.443 135.000 131.286 1.00 0.00 H new ATOM 0 HA VAL A 38 -24.932 133.055 132.911 1.00 0.00 H new ATOM 0 HB VAL A 38 -24.669 133.928 129.997 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -23.345 131.840 129.790 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -22.608 132.949 130.971 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -23.542 131.543 131.533 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -25.827 131.789 129.505 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -26.020 131.492 131.249 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -26.857 132.862 130.482 1.00 0.00 H new ATOM 522 N SER A 39 -23.006 134.506 133.460 1.00 0.00 N ATOM 523 CA SER A 39 -21.864 135.339 133.817 1.00 0.00 C ATOM 524 C SER A 39 -20.739 135.208 132.795 1.00 0.00 C ATOM 525 O SER A 39 -20.050 136.181 132.490 1.00 0.00 O ATOM 526 CB SER A 39 -21.345 134.944 135.199 1.00 0.00 C ATOM 527 OG SER A 39 -20.334 135.860 135.601 1.00 0.00 O ATOM 0 H SER A 39 -23.176 133.726 134.094 1.00 0.00 H new ATOM 0 HA SER A 39 -22.197 136.377 133.829 1.00 0.00 H new ATOM 0 HB2 SER A 39 -22.162 134.946 135.921 1.00 0.00 H new ATOM 0 HB3 SER A 39 -20.944 133.931 135.174 1.00 0.00 H new ATOM 0 HG SER A 39 -20.000 135.610 136.488 1.00 0.00 H new ATOM 533 N GLY A 40 -20.547 133.993 132.278 1.00 0.00 N ATOM 534 CA GLY A 40 -19.496 133.731 131.302 1.00 0.00 C ATOM 535 C GLY A 40 -19.021 132.295 131.445 1.00 0.00 C ATOM 536 O GLY A 40 -19.292 131.641 132.452 1.00 0.00 O ATOM 0 H GLY A 40 -21.108 133.177 132.521 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.871 133.903 130.293 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.664 134.418 131.454 1.00 0.00 H new ATOM 540 N VAL A 41 -18.317 131.798 130.428 1.00 0.00 N ATOM 541 CA VAL A 41 -17.805 130.418 130.431 1.00 0.00 C ATOM 542 C VAL A 41 -16.307 130.406 130.138 1.00 0.00 C ATOM 543 O VAL A 41 -15.805 131.255 129.401 1.00 0.00 O ATOM 544 CB VAL A 41 -18.594 129.607 129.384 1.00 0.00 C ATOM 545 CG1 VAL A 41 -20.073 130.017 129.483 1.00 0.00 C ATOM 546 CG2 VAL A 41 -18.062 129.877 127.952 1.00 0.00 C ATOM 0 H VAL A 41 -18.085 132.328 129.588 1.00 0.00 H new ATOM 0 HA VAL A 41 -17.942 129.964 131.413 1.00 0.00 H new ATOM 0 HB VAL A 41 -18.476 128.542 129.582 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -20.656 129.457 128.751 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -20.444 129.801 130.485 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -20.169 131.084 129.283 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.637 129.292 127.234 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.163 130.937 127.720 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.012 129.592 127.894 1.00 0.00 H new ATOM 556 N GLU A 42 -15.597 129.427 130.705 1.00 0.00 N ATOM 557 CA GLU A 42 -14.144 129.291 130.490 1.00 0.00 C ATOM 558 C GLU A 42 -13.854 127.962 129.808 1.00 0.00 C ATOM 559 O GLU A 42 -14.335 126.916 130.239 1.00 0.00 O ATOM 560 CB GLU A 42 -13.410 129.348 131.834 1.00 0.00 C ATOM 561 CG GLU A 42 -11.899 129.393 131.594 1.00 0.00 C ATOM 562 CD GLU A 42 -11.160 129.359 132.926 1.00 0.00 C ATOM 563 OE1 GLU A 42 -11.822 129.278 133.948 1.00 0.00 O ATOM 564 OE2 GLU A 42 -9.941 129.414 132.907 1.00 0.00 O1- ATOM 0 H GLU A 42 -15.999 128.716 131.316 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.797 130.109 129.858 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.725 130.228 132.395 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.667 128.477 132.437 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.595 128.547 130.978 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.636 130.298 131.046 1.00 0.00 H new ATOM 571 N MET A 43 -13.065 128.010 128.735 1.00 0.00 N ATOM 572 CA MET A 43 -12.708 126.804 127.979 1.00 0.00 C ATOM 573 C MET A 43 -11.307 126.342 128.367 1.00 0.00 C ATOM 574 O MET A 43 -10.418 127.164 128.596 1.00 0.00 O ATOM 575 CB MET A 43 -12.753 127.124 126.483 1.00 0.00 C ATOM 576 CG MET A 43 -14.017 127.936 126.177 1.00 0.00 C ATOM 577 SD MET A 43 -15.477 127.097 126.848 1.00 0.00 S ATOM 578 CE MET A 43 -15.582 125.766 125.627 1.00 0.00 C ATOM 0 H MET A 43 -12.659 128.871 128.367 1.00 0.00 H new ATOM 0 HA MET A 43 -13.415 126.007 128.207 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.866 127.687 126.193 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.749 126.202 125.902 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.931 128.933 126.609 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.125 128.063 125.100 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.546 125.265 125.717 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.482 126.183 124.625 1.00 0.00 H new ATOM 0 HE3 MET A 43 -14.781 125.047 125.802 1.00 0.00 H new ATOM 588 N SER A 44 -11.107 125.029 128.445 1.00 0.00 N ATOM 589 CA SER A 44 -9.800 124.497 128.814 1.00 0.00 C ATOM 590 C SER A 44 -8.814 124.655 127.665 1.00 0.00 C ATOM 591 O SER A 44 -9.197 124.670 126.496 1.00 0.00 O ATOM 592 CB SER A 44 -9.911 123.019 129.190 1.00 0.00 C ATOM 593 OG SER A 44 -8.606 122.480 129.355 1.00 0.00 O ATOM 0 H SER A 44 -11.821 124.324 128.261 1.00 0.00 H new ATOM 0 HA SER A 44 -9.438 125.059 129.674 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.483 122.908 130.111 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.448 122.473 128.414 1.00 0.00 H new ATOM 0 HG SER A 44 -8.577 121.574 128.983 1.00 0.00 H new ATOM 599 N ARG A 45 -7.542 124.781 128.014 1.00 0.00 N ATOM 600 CA ARG A 45 -6.489 124.947 127.022 1.00 0.00 C ATOM 601 C ARG A 45 -6.466 123.784 126.033 1.00 0.00 C ATOM 602 O ARG A 45 -6.182 123.973 124.850 1.00 0.00 O ATOM 603 CB ARG A 45 -5.139 125.047 127.728 1.00 0.00 C ATOM 604 CG ARG A 45 -4.042 125.360 126.708 1.00 0.00 C ATOM 605 CD ARG A 45 -2.704 125.520 127.431 1.00 0.00 C ATOM 606 NE ARG A 45 -2.259 124.236 127.961 1.00 0.00 N ATOM 607 CZ ARG A 45 -1.035 124.083 128.453 1.00 0.00 C ATOM 608 NH1 ARG A 45 -0.661 122.924 128.922 1.00 0.00 N1+ ATOM 609 NH2 ARG A 45 -0.207 125.091 128.471 1.00 0.00 N ATOM 0 H ARG A 45 -7.213 124.771 128.979 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.688 125.861 126.462 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.173 125.826 128.489 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.916 124.111 128.240 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.976 124.559 125.972 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.285 126.273 126.165 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.957 125.916 126.744 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.805 126.241 128.242 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.899 123.442 127.954 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.309 122.136 128.911 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.279 122.806 129.300 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.499 125.998 128.107 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.733 124.972 128.849 1.00 0.00 H new ATOM 623 N ASP A 46 -6.752 122.578 126.524 1.00 0.00 N ATOM 624 CA ASP A 46 -6.742 121.388 125.669 1.00 0.00 C ATOM 625 C ASP A 46 -8.067 121.223 124.927 1.00 0.00 C ATOM 626 O ASP A 46 -8.240 120.274 124.163 1.00 0.00 O ATOM 627 CB ASP A 46 -6.466 120.144 126.519 1.00 0.00 C ATOM 628 CG ASP A 46 -7.575 119.951 127.545 1.00 0.00 C ATOM 629 OD1 ASP A 46 -8.575 120.641 127.445 1.00 0.00 O ATOM 630 OD2 ASP A 46 -7.409 119.116 128.417 1.00 0.00 O1- ATOM 0 H ASP A 46 -6.991 122.398 127.499 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.953 121.511 124.927 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.396 119.265 125.878 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.506 120.246 127.025 1.00 0.00 H new ATOM 635 N LEU A 47 -8.999 122.144 125.158 1.00 0.00 N ATOM 636 CA LEU A 47 -10.299 122.085 124.502 1.00 0.00 C ATOM 637 C LEU A 47 -10.973 120.780 124.864 1.00 0.00 C ATOM 638 O LEU A 47 -11.747 120.222 124.086 1.00 0.00 O ATOM 639 CB LEU A 47 -10.141 122.176 122.980 1.00 0.00 C ATOM 640 CG LEU A 47 -9.236 123.358 122.611 1.00 0.00 C ATOM 641 CD1 LEU A 47 -9.098 123.425 121.086 1.00 0.00 C ATOM 642 CD2 LEU A 47 -9.848 124.671 123.129 1.00 0.00 C ATOM 0 H LEU A 47 -8.878 122.935 125.791 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.905 122.927 124.837 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.716 121.249 122.595 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.118 122.297 122.512 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.256 123.220 123.067 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.456 124.263 120.815 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.658 122.498 120.719 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.082 123.562 120.637 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.199 125.505 122.863 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.830 124.817 122.679 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.950 124.622 124.213 1.00 0.00 H new ATOM 654 N ALA A 48 -10.655 120.294 126.064 1.00 0.00 N ATOM 655 CA ALA A 48 -11.206 119.039 126.575 1.00 0.00 C ATOM 656 C ALA A 48 -12.314 119.297 127.594 1.00 0.00 C ATOM 657 O ALA A 48 -13.378 118.683 127.531 1.00 0.00 O ATOM 658 CB ALA A 48 -10.092 118.226 127.237 1.00 0.00 C ATOM 0 H ALA A 48 -10.012 120.756 126.706 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.630 118.486 125.737 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.502 117.291 127.618 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.315 118.010 126.504 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.665 118.798 128.061 1.00 0.00 H new ATOM 664 N TYR A 49 -12.051 120.200 128.549 1.00 0.00 N ATOM 665 CA TYR A 49 -13.027 120.532 129.608 1.00 0.00 C ATOM 666 C TYR A 49 -13.432 122.001 129.539 1.00 0.00 C ATOM 667 O TYR A 49 -12.621 122.865 129.210 1.00 0.00 O ATOM 668 CB TYR A 49 -12.401 120.256 130.979 1.00 0.00 C ATOM 669 CG TYR A 49 -11.973 118.811 131.058 1.00 0.00 C ATOM 670 CD1 TYR A 49 -12.890 117.829 131.447 1.00 0.00 C ATOM 671 CD2 TYR A 49 -10.657 118.454 130.740 1.00 0.00 C ATOM 672 CE1 TYR A 49 -12.494 116.487 131.517 1.00 0.00 C ATOM 673 CE2 TYR A 49 -10.259 117.113 130.810 1.00 0.00 C ATOM 674 CZ TYR A 49 -11.178 116.130 131.198 1.00 0.00 C ATOM 675 OH TYR A 49 -10.788 114.808 131.266 1.00 0.00 O ATOM 0 H TYR A 49 -11.173 120.715 128.614 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.914 119.916 129.461 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.543 120.909 131.136 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -13.119 120.477 131.769 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.904 118.106 131.694 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.949 119.213 130.441 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.203 115.729 131.817 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.244 116.837 130.565 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.845 114.732 131.012 1.00 0.00 H new ATOM 685 N ALA A 50 -14.700 122.283 129.859 1.00 0.00 N ATOM 686 CA ALA A 50 -15.223 123.663 129.846 1.00 0.00 C ATOM 687 C ALA A 50 -16.038 123.942 131.106 1.00 0.00 C ATOM 688 O ALA A 50 -16.776 123.081 131.586 1.00 0.00 O ATOM 689 CB ALA A 50 -16.113 123.866 128.621 1.00 0.00 C ATOM 0 H ALA A 50 -15.386 121.578 130.130 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.378 124.350 129.810 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -16.497 124.886 128.615 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.531 123.692 127.716 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.947 123.165 128.657 1.00 0.00 H new ATOM 695 N LYS A 51 -15.904 125.167 131.634 1.00 0.00 N ATOM 696 CA LYS A 51 -16.637 125.591 132.843 1.00 0.00 C ATOM 697 C LYS A 51 -17.645 126.678 132.492 1.00 0.00 C ATOM 698 O LYS A 51 -17.310 127.663 131.838 1.00 0.00 O ATOM 699 CB LYS A 51 -15.652 126.130 133.883 1.00 0.00 C ATOM 700 CG LYS A 51 -14.704 125.011 134.318 1.00 0.00 C ATOM 701 CD LYS A 51 -13.796 125.518 135.440 1.00 0.00 C ATOM 702 CE LYS A 51 -12.765 124.444 135.789 1.00 0.00 C ATOM 703 NZ LYS A 51 -13.466 123.209 136.241 1.00 0.00 N1+ ATOM 0 H LYS A 51 -15.294 125.886 131.244 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.166 124.730 133.252 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.083 126.960 133.464 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.194 126.518 134.746 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.276 124.148 134.660 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.103 124.680 133.471 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.292 126.433 135.129 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.391 125.765 136.319 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.144 124.225 134.920 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.100 124.805 136.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.795 122.593 136.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.245 123.466 136.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.848 122.705 135.415 1.00 0.00 H new ATOM 717 N VAL A 52 -18.892 126.489 132.937 1.00 0.00 N ATOM 718 CA VAL A 52 -19.982 127.454 132.679 1.00 0.00 C ATOM 719 C VAL A 52 -20.519 128.021 133.991 1.00 0.00 C ATOM 720 O VAL A 52 -20.783 127.276 134.934 1.00 0.00 O ATOM 721 CB VAL A 52 -21.114 126.746 131.921 1.00 0.00 C ATOM 722 CG1 VAL A 52 -22.325 127.676 131.785 1.00 0.00 C ATOM 723 CG2 VAL A 52 -20.611 126.342 130.531 1.00 0.00 C ATOM 0 H VAL A 52 -19.179 125.675 133.480 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.592 128.277 132.080 1.00 0.00 H new ATOM 0 HB VAL A 52 -21.418 125.858 132.475 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -23.120 127.161 131.246 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -22.681 127.957 132.776 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -22.036 128.572 131.236 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -21.410 125.838 129.987 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -20.304 127.232 129.982 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -19.761 125.667 130.634 1.00 0.00 H new ATOM 733 N TYR A 53 -20.690 129.353 134.047 1.00 0.00 N ATOM 734 CA TYR A 53 -21.215 130.026 135.254 1.00 0.00 C ATOM 735 C TYR A 53 -22.553 130.699 134.948 1.00 0.00 C ATOM 736 O TYR A 53 -22.671 131.454 133.983 1.00 0.00 O ATOM 737 CB TYR A 53 -20.214 131.085 135.723 1.00 0.00 C ATOM 738 CG TYR A 53 -18.915 130.417 136.108 1.00 0.00 C ATOM 739 CD1 TYR A 53 -18.767 129.862 137.384 1.00 0.00 C ATOM 740 CD2 TYR A 53 -17.860 130.351 135.190 1.00 0.00 C ATOM 741 CE1 TYR A 53 -17.565 129.241 137.743 1.00 0.00 C ATOM 742 CE2 TYR A 53 -16.657 129.730 135.550 1.00 0.00 C ATOM 743 CZ TYR A 53 -16.510 129.176 136.826 1.00 0.00 C ATOM 744 OH TYR A 53 -15.324 128.564 137.180 1.00 0.00 O ATOM 0 H TYR A 53 -20.474 129.985 133.276 1.00 0.00 H new ATOM 0 HA TYR A 53 -21.362 129.281 136.036 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -20.040 131.812 134.930 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -20.620 131.632 136.574 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -19.581 129.913 138.092 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -17.974 130.779 134.205 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -17.452 128.812 138.728 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -15.843 129.679 134.842 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.697 128.605 136.428 1.00 0.00 H new ATOM 754 N VAL A 54 -23.565 130.421 135.783 1.00 0.00 N ATOM 755 CA VAL A 54 -24.911 131.003 135.611 1.00 0.00 C ATOM 756 C VAL A 54 -25.429 131.571 136.929 1.00 0.00 C ATOM 757 O VAL A 54 -25.135 131.045 138.001 1.00 0.00 O ATOM 758 CB VAL A 54 -25.884 129.928 135.119 1.00 0.00 C ATOM 759 CG1 VAL A 54 -27.260 130.555 134.885 1.00 0.00 C ATOM 760 CG2 VAL A 54 -25.370 129.334 133.807 1.00 0.00 C ATOM 0 H VAL A 54 -23.480 129.797 136.585 1.00 0.00 H new ATOM 0 HA VAL A 54 -24.841 131.807 134.879 1.00 0.00 H new ATOM 0 HB VAL A 54 -25.963 129.141 135.869 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -27.953 129.790 134.535 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -27.630 130.980 135.818 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -27.179 131.342 134.135 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -26.063 128.569 133.458 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -25.291 130.121 133.057 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -24.389 128.888 133.969 1.00 0.00 H new ATOM 770 N THR A 55 -26.220 132.649 136.839 1.00 0.00 N ATOM 771 CA THR A 55 -26.806 133.294 138.027 1.00 0.00 C ATOM 772 C THR A 55 -28.294 133.554 137.808 1.00 0.00 C ATOM 773 O THR A 55 -28.715 133.892 136.701 1.00 0.00 O ATOM 774 CB THR A 55 -26.095 134.629 138.288 1.00 0.00 C ATOM 775 OG1 THR A 55 -26.673 135.634 137.469 1.00 0.00 O ATOM 776 CG2 THR A 55 -24.607 134.494 137.950 1.00 0.00 C ATOM 0 H THR A 55 -26.470 133.095 135.956 1.00 0.00 H new ATOM 0 HA THR A 55 -26.681 132.632 138.884 1.00 0.00 H new ATOM 0 HB THR A 55 -26.205 134.900 139.338 1.00 0.00 H new ATOM 0 HG1 THR A 55 -26.223 136.489 137.634 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.104 135.443 138.136 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.161 133.719 138.573 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.495 134.224 136.900 1.00 0.00 H new ATOM 784 N PHE A 56 -29.091 133.419 138.876 1.00 0.00 N ATOM 785 CA PHE A 56 -30.536 133.668 138.794 1.00 0.00 C ATOM 786 C PHE A 56 -31.086 134.165 140.135 1.00 0.00 C ATOM 787 O PHE A 56 -30.547 133.857 141.198 1.00 0.00 O ATOM 788 CB PHE A 56 -31.276 132.412 138.304 1.00 0.00 C ATOM 789 CG PHE A 56 -30.871 131.184 139.100 1.00 0.00 C ATOM 790 CD1 PHE A 56 -29.605 130.610 138.911 1.00 0.00 C ATOM 791 CD2 PHE A 56 -31.771 130.597 139.996 1.00 0.00 C ATOM 792 CE1 PHE A 56 -29.244 129.459 139.620 1.00 0.00 C ATOM 793 CE2 PHE A 56 -31.409 129.448 140.705 1.00 0.00 C ATOM 794 CZ PHE A 56 -30.146 128.877 140.517 1.00 0.00 C ATOM 0 H PHE A 56 -28.763 133.141 139.801 1.00 0.00 H new ATOM 0 HA PHE A 56 -30.708 134.458 138.063 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -32.352 132.565 138.390 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -31.061 132.250 137.248 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -28.908 131.057 138.217 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -32.748 131.033 140.140 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -28.268 129.020 139.475 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -32.105 129.001 141.399 1.00 0.00 H new ATOM 0 HZ PHE A 56 -29.868 127.988 141.064 1.00 0.00 H new ATOM 804 N LEU A 57 -32.141 134.975 140.054 1.00 0.00 N ATOM 805 CA LEU A 57 -32.765 135.581 141.236 1.00 0.00 C ATOM 806 C LEU A 57 -33.341 134.552 142.210 1.00 0.00 C ATOM 807 O LEU A 57 -33.335 134.773 143.424 1.00 0.00 O ATOM 808 CB LEU A 57 -33.874 136.542 140.777 1.00 0.00 C ATOM 809 CG LEU A 57 -34.466 137.329 141.966 1.00 0.00 C ATOM 810 CD1 LEU A 57 -33.414 138.292 142.560 1.00 0.00 C ATOM 811 CD2 LEU A 57 -35.676 138.128 141.458 1.00 0.00 C ATOM 0 H LEU A 57 -32.587 135.230 139.173 1.00 0.00 H new ATOM 0 HA LEU A 57 -31.985 136.115 141.778 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -33.472 137.239 140.042 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -34.665 135.978 140.283 1.00 0.00 H new ATOM 0 HG LEU A 57 -34.769 136.635 142.750 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -33.851 138.837 143.397 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -32.554 137.721 142.909 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -33.094 138.999 141.794 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -36.111 138.693 142.282 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -35.355 138.816 140.676 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -36.421 137.443 141.055 1.00 0.00 H new ATOM 823 N ASN A 58 -33.853 133.435 141.701 1.00 0.00 N ATOM 824 CA ASN A 58 -34.445 132.428 142.580 1.00 0.00 C ATOM 825 C ASN A 58 -33.348 131.579 143.185 1.00 0.00 C ATOM 826 O ASN A 58 -33.600 130.734 144.040 1.00 0.00 O ATOM 827 CB ASN A 58 -35.426 131.546 141.802 1.00 0.00 C ATOM 828 CG ASN A 58 -36.499 132.412 141.150 1.00 0.00 C ATOM 829 OD1 ASN A 58 -36.900 132.154 140.016 1.00 0.00 O ATOM 830 ND2 ASN A 58 -36.987 133.431 141.802 1.00 0.00 N ATOM 0 H ASN A 58 -33.871 133.206 140.707 1.00 0.00 H new ATOM 0 HA ASN A 58 -34.994 132.931 143.376 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -34.892 130.978 141.040 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -35.889 130.822 142.473 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -37.703 134.016 141.372 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -36.653 133.642 142.742 1.00 0.00 H new ATOM 837 N ASP A 59 -32.117 131.857 142.785 1.00 0.00 N ATOM 838 CA ASP A 59 -30.986 131.153 143.351 1.00 0.00 C ATOM 839 C ASP A 59 -30.959 131.453 144.834 1.00 0.00 C ATOM 840 O ASP A 59 -30.283 130.783 145.613 1.00 0.00 O ATOM 841 CB ASP A 59 -29.679 131.594 142.690 1.00 0.00 C ATOM 842 CG ASP A 59 -28.566 130.610 143.034 1.00 0.00 C ATOM 843 OD1 ASP A 59 -28.642 130.007 144.092 1.00 0.00 O ATOM 844 OD2 ASP A 59 -27.658 130.467 142.233 1.00 0.00 O1- ATOM 0 H ASP A 59 -31.881 132.556 142.080 1.00 0.00 H new ATOM 0 HA ASP A 59 -31.086 130.081 143.178 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -29.808 131.647 141.609 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -29.409 132.594 143.029 1.00 0.00 H new ATOM 849 N LYS A 60 -31.719 132.478 145.212 1.00 0.00 N ATOM 850 CA LYS A 60 -31.801 132.886 146.602 1.00 0.00 C ATOM 851 C LYS A 60 -32.506 131.811 147.429 1.00 0.00 C ATOM 852 O LYS A 60 -32.125 131.545 148.568 1.00 0.00 O ATOM 853 CB LYS A 60 -32.584 134.200 146.693 1.00 0.00 C ATOM 854 CG LYS A 60 -32.603 134.711 148.135 1.00 0.00 C ATOM 855 CD LYS A 60 -33.456 135.973 148.206 1.00 0.00 C ATOM 856 CE LYS A 60 -33.552 136.429 149.657 1.00 0.00 C ATOM 857 NZ LYS A 60 -32.185 136.503 150.246 1.00 0.00 N1+ ATOM 0 H LYS A 60 -32.284 133.037 144.573 1.00 0.00 H new ATOM 0 HA LYS A 60 -30.794 133.026 146.995 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -32.130 134.947 146.042 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -33.604 134.048 146.341 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -33.006 133.947 148.799 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -31.588 134.923 148.472 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -33.016 136.759 147.593 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -34.451 135.777 147.807 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -34.036 137.404 149.712 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -34.168 135.734 150.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -32.157 137.253 150.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -31.947 135.592 150.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -31.495 136.716 149.497 1.00 0.00 H new ATOM 871 N ASP A 61 -33.533 131.192 146.847 1.00 0.00 N ATOM 872 CA ASP A 61 -34.287 130.137 147.537 1.00 0.00 C ATOM 873 C ASP A 61 -33.653 128.770 147.276 1.00 0.00 C ATOM 874 O ASP A 61 -33.423 128.385 146.130 1.00 0.00 O ATOM 875 CB ASP A 61 -35.739 130.132 147.050 1.00 0.00 C ATOM 876 CG ASP A 61 -36.401 131.466 147.375 1.00 0.00 C ATOM 877 OD1 ASP A 61 -36.333 132.357 146.545 1.00 0.00 O ATOM 878 OD2 ASP A 61 -36.968 131.577 148.450 1.00 0.00 O1- ATOM 0 H ASP A 61 -33.863 131.399 145.904 1.00 0.00 H new ATOM 0 HA ASP A 61 -34.264 130.337 148.608 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -35.770 129.953 145.975 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -36.288 129.319 147.525 1.00 0.00 H new ATOM 883 N GLU A 62 -33.360 128.052 148.359 1.00 0.00 N ATOM 884 CA GLU A 62 -32.735 126.736 148.262 1.00 0.00 C ATOM 885 C GLU A 62 -33.594 125.748 147.479 1.00 0.00 C ATOM 886 O GLU A 62 -33.074 124.895 146.760 1.00 0.00 O ATOM 887 CB GLU A 62 -32.491 126.178 149.667 1.00 0.00 C ATOM 888 CG GLU A 62 -31.484 127.060 150.407 1.00 0.00 C ATOM 889 CD GLU A 62 -31.204 126.482 151.790 1.00 0.00 C ATOM 890 OE1 GLU A 62 -31.900 125.558 152.176 1.00 0.00 O ATOM 891 OE2 GLU A 62 -30.297 126.972 152.441 1.00 0.00 O1- ATOM 0 H GLU A 62 -33.546 128.360 149.313 1.00 0.00 H new ATOM 0 HA GLU A 62 -31.793 126.861 147.729 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -33.429 126.138 150.220 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -32.115 125.157 149.603 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -30.557 127.126 149.837 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -31.874 128.074 150.499 1.00 0.00 H new ATOM 898 N ASP A 63 -34.906 125.861 147.626 1.00 0.00 N ATOM 899 CA ASP A 63 -35.817 124.963 146.931 1.00 0.00 C ATOM 900 C ASP A 63 -35.712 125.175 145.437 1.00 0.00 C ATOM 901 O ASP A 63 -35.732 124.225 144.653 1.00 0.00 O ATOM 902 CB ASP A 63 -37.255 125.216 147.388 1.00 0.00 C ATOM 903 CG ASP A 63 -38.182 124.155 146.803 1.00 0.00 C ATOM 904 OD1 ASP A 63 -38.277 123.091 147.390 1.00 0.00 O ATOM 905 OD2 ASP A 63 -38.784 124.424 145.776 1.00 0.00 O1- ATOM 0 H ASP A 63 -35.361 126.559 148.215 1.00 0.00 H new ATOM 0 HA ASP A 63 -35.544 123.934 147.167 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -37.308 125.197 148.477 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -37.577 126.208 147.070 1.00 0.00 H new ATOM 910 N ALA A 64 -35.599 126.434 145.058 1.00 0.00 N ATOM 911 CA ALA A 64 -35.491 126.790 143.658 1.00 0.00 C ATOM 912 C ALA A 64 -34.172 126.300 143.068 1.00 0.00 C ATOM 913 O ALA A 64 -34.119 125.877 141.913 1.00 0.00 O ATOM 914 CB ALA A 64 -35.589 128.302 143.496 1.00 0.00 C ATOM 0 H ALA A 64 -35.580 127.226 145.700 1.00 0.00 H new ATOM 0 HA ALA A 64 -36.310 126.310 143.123 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -35.507 128.561 142.440 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -36.548 128.648 143.881 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -34.782 128.780 144.051 1.00 0.00 H new ATOM 920 N VAL A 65 -33.111 126.355 143.866 1.00 0.00 N ATOM 921 CA VAL A 65 -31.804 125.909 143.408 1.00 0.00 C ATOM 922 C VAL A 65 -31.845 124.413 143.156 1.00 0.00 C ATOM 923 O VAL A 65 -31.268 123.907 142.199 1.00 0.00 O ATOM 924 CB VAL A 65 -30.737 126.233 144.466 1.00 0.00 C ATOM 925 CG1 VAL A 65 -29.397 125.596 144.078 1.00 0.00 C ATOM 926 CG2 VAL A 65 -30.561 127.753 144.570 1.00 0.00 C ATOM 0 H VAL A 65 -33.131 126.701 144.825 1.00 0.00 H new ATOM 0 HA VAL A 65 -31.549 126.426 142.483 1.00 0.00 H new ATOM 0 HB VAL A 65 -31.061 125.832 145.426 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -28.649 125.832 144.835 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -29.515 124.515 144.009 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -29.074 125.988 143.114 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.804 127.981 145.321 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.246 128.150 143.605 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -31.508 128.210 144.859 1.00 0.00 H new ATOM 936 N LYS A 66 -32.539 123.714 144.030 1.00 0.00 N ATOM 937 CA LYS A 66 -32.662 122.289 143.916 1.00 0.00 C ATOM 938 C LYS A 66 -33.411 121.919 142.649 1.00 0.00 C ATOM 939 O LYS A 66 -33.042 120.988 141.937 1.00 0.00 O ATOM 940 CB LYS A 66 -33.402 121.762 145.153 1.00 0.00 C ATOM 941 CG LYS A 66 -33.657 120.252 145.060 1.00 0.00 C ATOM 942 CD LYS A 66 -32.326 119.497 144.936 1.00 0.00 C ATOM 943 CE LYS A 66 -32.533 118.032 145.300 1.00 0.00 C ATOM 944 NZ LYS A 66 -33.813 117.547 144.713 1.00 0.00 N1+ ATOM 0 H LYS A 66 -33.026 124.119 144.829 1.00 0.00 H new ATOM 0 HA LYS A 66 -31.672 121.837 143.860 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -32.817 121.978 146.047 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -34.352 122.286 145.260 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -34.196 119.912 145.944 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -34.289 120.035 144.199 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -31.943 119.579 143.919 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -31.580 119.944 145.594 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -31.701 117.434 144.929 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -32.551 117.915 146.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -34.327 116.983 145.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -34.395 118.361 144.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -33.612 116.958 143.880 1.00 0.00 H new ATOM 958 N ALA A 67 -34.477 122.652 142.393 1.00 0.00 N ATOM 959 CA ALA A 67 -35.304 122.402 141.234 1.00 0.00 C ATOM 960 C ALA A 67 -34.599 122.783 139.946 1.00 0.00 C ATOM 961 O ALA A 67 -34.619 122.034 138.968 1.00 0.00 O ATOM 962 CB ALA A 67 -36.611 123.189 141.354 1.00 0.00 C ATOM 0 H ALA A 67 -34.790 123.428 142.976 1.00 0.00 H new ATOM 0 HA ALA A 67 -35.512 121.333 141.199 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -37.232 122.998 140.479 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -37.143 122.876 142.252 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -36.390 124.254 141.417 1.00 0.00 H new ATOM 968 N GLY A 68 -34.005 123.963 139.941 1.00 0.00 N ATOM 969 CA GLY A 68 -33.330 124.444 138.755 1.00 0.00 C ATOM 970 C GLY A 68 -32.081 123.635 138.418 1.00 0.00 C ATOM 971 O GLY A 68 -31.923 123.171 137.287 1.00 0.00 O ATOM 0 H GLY A 68 -33.977 124.599 140.738 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -34.019 124.409 137.911 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -33.053 125.489 138.898 1.00 0.00 H new ATOM 975 N ILE A 69 -31.193 123.468 139.392 1.00 0.00 N ATOM 976 CA ILE A 69 -29.958 122.722 139.156 1.00 0.00 C ATOM 977 C ILE A 69 -30.243 121.285 138.737 1.00 0.00 C ATOM 978 O ILE A 69 -29.534 120.731 137.901 1.00 0.00 O ATOM 979 CB ILE A 69 -29.066 122.746 140.410 1.00 0.00 C ATOM 980 CG1 ILE A 69 -28.620 124.194 140.741 1.00 0.00 C ATOM 981 CG2 ILE A 69 -27.837 121.853 140.200 1.00 0.00 C ATOM 982 CD1 ILE A 69 -27.863 124.847 139.569 1.00 0.00 C ATOM 0 H ILE A 69 -31.300 123.832 140.339 1.00 0.00 H new ATOM 0 HA ILE A 69 -29.430 123.209 138.337 1.00 0.00 H new ATOM 0 HB ILE A 69 -29.646 122.364 141.250 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -29.495 124.795 140.987 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.981 124.184 141.624 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.213 121.877 141.093 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -28.159 120.829 140.010 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.264 122.217 139.347 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -27.570 125.860 139.845 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -26.973 124.261 139.339 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -28.510 124.883 138.693 1.00 0.00 H new ATOM 994 N LYS A 70 -31.280 120.688 139.298 1.00 0.00 N ATOM 995 CA LYS A 70 -31.627 119.325 138.939 1.00 0.00 C ATOM 996 C LYS A 70 -32.072 119.290 137.493 1.00 0.00 C ATOM 997 O LYS A 70 -31.736 118.374 136.746 1.00 0.00 O ATOM 998 CB LYS A 70 -32.742 118.793 139.846 1.00 0.00 C ATOM 999 CG LYS A 70 -32.925 117.288 139.620 1.00 0.00 C ATOM 1000 CD LYS A 70 -34.239 116.826 140.261 1.00 0.00 C ATOM 1001 CE LYS A 70 -34.169 116.975 141.787 1.00 0.00 C ATOM 1002 NZ LYS A 70 -34.431 118.394 142.160 1.00 0.00 N1+ ATOM 0 H LYS A 70 -31.889 121.118 139.994 1.00 0.00 H new ATOM 0 HA LYS A 70 -30.752 118.689 139.069 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -32.496 118.985 140.890 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -33.674 119.317 139.636 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -32.933 117.069 138.552 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -32.087 116.741 140.051 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -35.069 117.414 139.869 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -34.433 115.786 139.999 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -34.902 116.322 142.261 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -33.188 116.668 142.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -33.567 118.813 142.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -34.717 118.928 141.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -35.193 118.432 142.867 1.00 0.00 H new ATOM 1016 N ALA A 71 -32.826 120.306 137.101 1.00 0.00 N ATOM 1017 CA ALA A 71 -33.300 120.384 135.740 1.00 0.00 C ATOM 1018 C ALA A 71 -32.131 120.614 134.800 1.00 0.00 C ATOM 1019 O ALA A 71 -32.041 120.013 133.731 1.00 0.00 O ATOM 1020 CB ALA A 71 -34.310 121.525 135.597 1.00 0.00 C ATOM 0 H ALA A 71 -33.117 121.077 137.703 1.00 0.00 H new ATOM 0 HA ALA A 71 -33.789 119.444 135.483 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -34.660 121.574 134.566 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -35.157 121.347 136.260 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -33.833 122.468 135.863 1.00 0.00 H new ATOM 1026 N LEU A 72 -31.235 121.490 135.224 1.00 0.00 N ATOM 1027 CA LEU A 72 -30.052 121.818 134.442 1.00 0.00 C ATOM 1028 C LEU A 72 -29.073 120.649 134.410 1.00 0.00 C ATOM 1029 O LEU A 72 -28.405 120.415 133.404 1.00 0.00 O ATOM 1030 CB LEU A 72 -29.370 123.060 135.035 1.00 0.00 C ATOM 1031 CG LEU A 72 -28.120 123.453 134.223 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -28.501 123.780 132.763 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -27.483 124.685 134.882 1.00 0.00 C ATOM 0 H LEU A 72 -31.304 121.990 136.110 1.00 0.00 H new ATOM 0 HA LEU A 72 -30.362 122.026 133.418 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -30.074 123.892 135.049 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -29.088 122.864 136.069 1.00 0.00 H new ATOM 0 HG LEU A 72 -27.416 122.621 134.212 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -27.605 124.055 132.206 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.960 122.906 132.302 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -29.207 124.611 132.748 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -26.596 124.979 134.322 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -28.199 125.507 134.886 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -27.201 124.445 135.907 1.00 0.00 H new ATOM 1045 N GLN A 73 -28.982 119.931 135.524 1.00 0.00 N ATOM 1046 CA GLN A 73 -28.066 118.806 135.624 1.00 0.00 C ATOM 1047 C GLN A 73 -28.532 117.673 134.736 1.00 0.00 C ATOM 1048 O GLN A 73 -27.749 117.079 133.996 1.00 0.00 O ATOM 1049 CB GLN A 73 -27.976 118.327 137.078 1.00 0.00 C ATOM 1050 CG GLN A 73 -26.848 117.300 137.225 1.00 0.00 C ATOM 1051 CD GLN A 73 -25.495 117.991 137.092 1.00 0.00 C ATOM 1052 OE1 GLN A 73 -25.147 118.839 137.915 1.00 0.00 O ATOM 1053 NE2 GLN A 73 -24.707 117.679 136.100 1.00 0.00 N ATOM 0 H GLN A 73 -29.530 120.109 136.366 1.00 0.00 H new ATOM 0 HA GLN A 73 -27.078 119.129 135.295 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -27.794 119.175 137.738 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -28.924 117.884 137.382 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -26.919 116.805 138.193 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -26.947 116.527 136.463 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.997 116.977 135.420 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.801 118.138 136.005 1.00 0.00 H new ATOM 1062 N GLU A 74 -29.818 117.392 134.805 1.00 0.00 N ATOM 1063 CA GLU A 74 -30.390 116.340 133.992 1.00 0.00 C ATOM 1064 C GLU A 74 -30.418 116.759 132.538 1.00 0.00 C ATOM 1065 O GLU A 74 -30.194 115.958 131.631 1.00 0.00 O ATOM 1066 CB GLU A 74 -31.806 116.045 134.457 1.00 0.00 C ATOM 1067 CG GLU A 74 -31.762 115.397 135.840 1.00 0.00 C ATOM 1068 CD GLU A 74 -33.176 115.070 136.309 1.00 0.00 C ATOM 1069 OE1 GLU A 74 -34.110 115.496 135.651 1.00 0.00 O ATOM 1070 OE2 GLU A 74 -33.303 114.398 137.319 1.00 0.00 O1- ATOM 0 H GLU A 74 -30.482 117.874 135.411 1.00 0.00 H new ATOM 0 HA GLU A 74 -29.776 115.445 134.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -32.388 116.966 134.493 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -32.302 115.382 133.748 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -31.162 114.488 135.805 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -31.281 116.069 136.550 1.00 0.00 H new ATOM 1077 N ALA A 75 -30.687 118.034 132.341 1.00 0.00 N ATOM 1078 CA ALA A 75 -30.744 118.606 131.010 1.00 0.00 C ATOM 1079 C ALA A 75 -29.340 118.872 130.492 1.00 0.00 C ATOM 1080 O ALA A 75 -29.153 119.235 129.334 1.00 0.00 O ATOM 1081 CB ALA A 75 -31.526 119.917 131.053 1.00 0.00 C ATOM 0 H ALA A 75 -30.871 118.699 133.092 1.00 0.00 H new ATOM 0 HA ALA A 75 -31.241 117.902 130.343 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -31.569 120.348 130.053 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -32.538 119.725 131.410 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -31.030 120.615 131.727 1.00 0.00 H new ATOM 1087 N SER A 76 -28.357 118.721 131.372 1.00 0.00 N ATOM 1088 CA SER A 76 -26.971 118.991 130.995 1.00 0.00 C ATOM 1089 C SER A 76 -26.522 118.153 129.801 1.00 0.00 C ATOM 1090 O SER A 76 -25.962 118.684 128.841 1.00 0.00 O ATOM 1091 CB SER A 76 -26.044 118.702 132.177 1.00 0.00 C ATOM 1092 OG SER A 76 -26.004 117.300 132.409 1.00 0.00 O ATOM 0 H SER A 76 -28.488 118.418 132.337 1.00 0.00 H new ATOM 0 HA SER A 76 -26.916 120.042 130.712 1.00 0.00 H new ATOM 0 HB2 SER A 76 -25.042 119.077 131.969 1.00 0.00 H new ATOM 0 HB3 SER A 76 -26.399 119.220 133.068 1.00 0.00 H new ATOM 0 HG SER A 76 -26.427 117.099 133.270 1.00 0.00 H new ATOM 1098 N GLY A 77 -26.771 116.850 129.856 1.00 0.00 N ATOM 1099 CA GLY A 77 -26.361 115.970 128.769 1.00 0.00 C ATOM 1100 C GLY A 77 -26.982 116.403 127.452 1.00 0.00 C ATOM 1101 O GLY A 77 -26.348 116.328 126.399 1.00 0.00 O ATOM 0 H GLY A 77 -27.247 116.385 130.629 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -25.275 115.976 128.682 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -26.657 114.946 128.995 1.00 0.00 H new ATOM 1105 N PHE A 78 -28.221 116.859 127.517 1.00 0.00 N ATOM 1106 CA PHE A 78 -28.920 117.308 126.324 1.00 0.00 C ATOM 1107 C PHE A 78 -28.273 118.558 125.735 1.00 0.00 C ATOM 1108 O PHE A 78 -28.081 118.651 124.524 1.00 0.00 O ATOM 1109 CB PHE A 78 -30.372 117.613 126.677 1.00 0.00 C ATOM 1110 CG PHE A 78 -31.104 116.324 126.968 1.00 0.00 C ATOM 1111 CD1 PHE A 78 -31.009 115.733 128.234 1.00 0.00 C ATOM 1112 CD2 PHE A 78 -31.883 115.722 125.972 1.00 0.00 C ATOM 1113 CE1 PHE A 78 -31.691 114.540 128.503 1.00 0.00 C ATOM 1114 CE2 PHE A 78 -32.565 114.530 126.242 1.00 0.00 C ATOM 1115 CZ PHE A 78 -32.469 113.938 127.507 1.00 0.00 C ATOM 0 H PHE A 78 -28.762 116.928 128.379 1.00 0.00 H new ATOM 0 HA PHE A 78 -28.867 116.514 125.579 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -30.415 118.271 127.545 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -30.854 118.139 125.853 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -30.410 116.197 129.003 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -31.957 116.178 124.996 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -31.617 114.084 129.479 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -33.166 114.066 125.474 1.00 0.00 H new ATOM 0 HZ PHE A 78 -32.995 113.018 127.714 1.00 0.00 H new ATOM 1125 N ILE A 79 -27.936 119.517 126.595 1.00 0.00 N ATOM 1126 CA ILE A 79 -27.317 120.754 126.126 1.00 0.00 C ATOM 1127 C ILE A 79 -25.996 120.452 125.447 1.00 0.00 C ATOM 1128 O ILE A 79 -25.650 121.037 124.421 1.00 0.00 O ATOM 1129 CB ILE A 79 -27.081 121.696 127.309 1.00 0.00 C ATOM 1130 CG1 ILE A 79 -28.426 122.086 127.927 1.00 0.00 C ATOM 1131 CG2 ILE A 79 -26.348 122.954 126.833 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -28.190 122.755 129.284 1.00 0.00 C ATOM 0 H ILE A 79 -28.078 119.464 127.604 1.00 0.00 H new ATOM 0 HA ILE A 79 -27.985 121.232 125.409 1.00 0.00 H new ATOM 0 HB ILE A 79 -26.471 121.189 128.057 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -28.960 122.765 127.263 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -29.052 121.202 128.049 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -26.183 123.621 127.679 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -25.388 122.674 126.399 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -26.951 123.464 126.082 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -29.148 123.033 129.724 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -27.674 122.061 129.947 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -27.580 123.648 129.148 1.00 0.00 H new ATOM 1144 N ARG A 80 -25.274 119.528 126.044 1.00 0.00 N ATOM 1145 CA ARG A 80 -23.975 119.112 125.526 1.00 0.00 C ATOM 1146 C ARG A 80 -24.112 118.475 124.157 1.00 0.00 C ATOM 1147 O ARG A 80 -23.351 118.764 123.233 1.00 0.00 O ATOM 1148 CB ARG A 80 -23.347 118.103 126.483 1.00 0.00 C ATOM 1149 CG ARG A 80 -21.928 117.766 126.020 1.00 0.00 C ATOM 1150 CD ARG A 80 -21.271 116.824 127.031 1.00 0.00 C ATOM 1151 NE ARG A 80 -21.910 115.514 126.990 1.00 0.00 N ATOM 1152 CZ ARG A 80 -21.643 114.651 126.016 1.00 0.00 C ATOM 1153 NH1 ARG A 80 -22.228 113.484 125.999 1.00 0.00 N1+ ATOM 1154 NH2 ARG A 80 -20.798 114.969 125.074 1.00 0.00 N ATOM 0 H ARG A 80 -25.562 119.044 126.895 1.00 0.00 H new ATOM 0 HA ARG A 80 -23.343 119.996 125.438 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -23.323 118.512 127.493 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -23.952 117.197 126.520 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -21.957 117.298 125.036 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -21.340 118.678 125.922 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -20.208 116.725 126.809 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -21.350 117.244 128.034 1.00 0.00 H new ATOM 0 HE ARG A 80 -22.573 115.256 127.721 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -22.890 113.235 126.734 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -22.023 112.822 125.251 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.342 115.881 125.085 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.594 114.305 124.327 1.00 0.00 H new ATOM 1168 N SER A 81 -25.090 117.598 124.052 1.00 0.00 N ATOM 1169 CA SER A 81 -25.358 116.889 122.820 1.00 0.00 C ATOM 1170 C SER A 81 -25.890 117.835 121.773 1.00 0.00 C ATOM 1171 O SER A 81 -25.586 117.718 120.594 1.00 0.00 O ATOM 1172 CB SER A 81 -26.397 115.813 123.088 1.00 0.00 C ATOM 1173 OG SER A 81 -26.510 114.967 121.951 1.00 0.00 O ATOM 0 H SER A 81 -25.720 117.358 124.818 1.00 0.00 H new ATOM 0 HA SER A 81 -24.432 116.444 122.457 1.00 0.00 H new ATOM 0 HB2 SER A 81 -26.112 115.228 123.963 1.00 0.00 H new ATOM 0 HB3 SER A 81 -27.361 116.271 123.311 1.00 0.00 H new ATOM 0 HG SER A 81 -27.179 114.272 122.125 1.00 0.00 H new ATOM 1179 N LEU A 82 -26.693 118.770 122.228 1.00 0.00 N ATOM 1180 CA LEU A 82 -27.292 119.741 121.344 1.00 0.00 C ATOM 1181 C LEU A 82 -26.225 120.621 120.733 1.00 0.00 C ATOM 1182 O LEU A 82 -26.290 120.993 119.561 1.00 0.00 O ATOM 1183 CB LEU A 82 -28.295 120.594 122.139 1.00 0.00 C ATOM 1184 CG LEU A 82 -29.610 119.810 122.356 1.00 0.00 C ATOM 1185 CD1 LEU A 82 -30.380 120.405 123.542 1.00 0.00 C ATOM 1186 CD2 LEU A 82 -30.517 119.893 121.107 1.00 0.00 C ATOM 0 H LEU A 82 -26.947 118.878 123.210 1.00 0.00 H new ATOM 0 HA LEU A 82 -27.813 119.225 120.537 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -27.865 120.871 123.102 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -28.500 121.521 121.603 1.00 0.00 H new ATOM 0 HG LEU A 82 -29.349 118.769 122.548 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -31.306 119.849 123.691 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -29.769 120.340 124.442 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -30.613 121.450 123.337 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -31.435 119.333 121.286 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -30.761 120.936 120.903 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -29.995 119.469 120.249 1.00 0.00 H new ATOM 1198 N LEU A 83 -25.251 120.942 121.546 1.00 0.00 N ATOM 1199 CA LEU A 83 -24.153 121.781 121.110 1.00 0.00 C ATOM 1200 C LEU A 83 -23.281 121.055 120.105 1.00 0.00 C ATOM 1201 O LEU A 83 -22.910 121.600 119.065 1.00 0.00 O ATOM 1202 CB LEU A 83 -23.303 122.178 122.322 1.00 0.00 C ATOM 1203 CG LEU A 83 -24.035 123.253 123.168 1.00 0.00 C ATOM 1204 CD1 LEU A 83 -23.514 123.212 124.604 1.00 0.00 C ATOM 1205 CD2 LEU A 83 -23.756 124.654 122.606 1.00 0.00 C ATOM 0 H LEU A 83 -25.192 120.636 122.517 1.00 0.00 H new ATOM 0 HA LEU A 83 -24.567 122.670 120.633 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -23.100 121.300 122.935 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -22.340 122.563 121.988 1.00 0.00 H new ATOM 0 HG LEU A 83 -25.105 123.045 123.138 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -24.028 123.967 125.199 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -23.699 122.226 125.030 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -22.443 123.414 124.608 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -24.276 125.398 123.209 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -22.684 124.850 122.632 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -24.110 124.710 121.577 1.00 0.00 H new ATOM 1217 N GLY A 84 -22.946 119.830 120.446 1.00 0.00 N ATOM 1218 CA GLY A 84 -22.099 119.026 119.596 1.00 0.00 C ATOM 1219 C GLY A 84 -22.829 118.631 118.334 1.00 0.00 C ATOM 1220 O GLY A 84 -22.276 118.651 117.239 1.00 0.00 O ATOM 0 H GLY A 84 -23.247 119.370 121.305 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.197 119.583 119.341 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.780 118.132 120.133 1.00 0.00 H new ATOM 1224 N LYS A 85 -24.081 118.263 118.519 1.00 0.00 N ATOM 1225 CA LYS A 85 -24.933 117.842 117.418 1.00 0.00 C ATOM 1226 C LYS A 85 -25.258 119.010 116.488 1.00 0.00 C ATOM 1227 O LYS A 85 -25.243 118.864 115.266 1.00 0.00 O ATOM 1228 CB LYS A 85 -26.217 117.232 118.003 1.00 0.00 C ATOM 1229 CG LYS A 85 -27.142 116.674 116.913 1.00 0.00 C ATOM 1230 CD LYS A 85 -26.621 115.327 116.384 1.00 0.00 C ATOM 1231 CE LYS A 85 -27.691 114.689 115.496 1.00 0.00 C ATOM 1232 NZ LYS A 85 -27.109 113.518 114.782 1.00 0.00 N1+ ATOM 0 H LYS A 85 -24.537 118.246 119.431 1.00 0.00 H new ATOM 0 HA LYS A 85 -24.409 117.097 116.819 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -25.954 116.434 118.698 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -26.750 117.991 118.576 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -28.147 116.547 117.314 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -27.214 117.388 116.092 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -25.702 115.476 115.817 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -26.379 114.665 117.215 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -28.541 114.374 116.101 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -28.065 115.418 114.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -27.836 113.083 114.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -26.311 113.832 114.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -26.773 112.820 115.476 1.00 0.00 H new ATOM 1246 N ALA A 86 -25.565 120.157 117.072 1.00 0.00 N ATOM 1247 CA ALA A 86 -25.910 121.335 116.282 1.00 0.00 C ATOM 1248 C ALA A 86 -24.707 121.810 115.486 1.00 0.00 C ATOM 1249 O ALA A 86 -24.818 122.140 114.305 1.00 0.00 O ATOM 1250 CB ALA A 86 -26.394 122.458 117.200 1.00 0.00 C ATOM 0 H ALA A 86 -25.583 120.301 118.082 1.00 0.00 H new ATOM 0 HA ALA A 86 -26.708 121.066 115.590 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -26.649 123.333 116.602 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -27.275 122.125 117.749 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -25.604 122.718 117.904 1.00 0.00 H new ATOM 1256 N MET A 87 -23.551 121.827 116.139 1.00 0.00 N ATOM 1257 CA MET A 87 -22.313 122.246 115.489 1.00 0.00 C ATOM 1258 C MET A 87 -21.677 121.063 114.779 1.00 0.00 C ATOM 1259 O MET A 87 -20.799 121.234 113.934 1.00 0.00 O ATOM 1260 CB MET A 87 -21.332 122.786 116.528 1.00 0.00 C ATOM 1261 CG MET A 87 -21.957 123.970 117.262 1.00 0.00 C ATOM 1262 SD MET A 87 -20.712 124.736 118.332 1.00 0.00 S ATOM 1263 CE MET A 87 -21.847 125.511 119.512 1.00 0.00 C ATOM 0 H MET A 87 -23.444 121.556 117.117 1.00 0.00 H new ATOM 0 HA MET A 87 -22.547 123.028 114.766 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.072 122.002 117.239 1.00 0.00 H new ATOM 0 HB3 MET A 87 -20.407 123.095 116.042 1.00 0.00 H new ATOM 0 HG2 MET A 87 -22.335 124.699 116.545 1.00 0.00 H new ATOM 0 HG3 MET A 87 -22.808 123.636 117.856 1.00 0.00 H new ATOM 0 HE1 MET A 87 -21.417 126.446 119.870 1.00 0.00 H new ATOM 0 HE2 MET A 87 -22.799 125.714 119.021 1.00 0.00 H new ATOM 0 HE3 MET A 87 -22.009 124.840 120.355 1.00 0.00 H new ATOM 1273 N ARG A 88 -22.102 119.856 115.152 1.00 0.00 N ATOM 1274 CA ARG A 88 -21.532 118.654 114.564 1.00 0.00 C ATOM 1275 C ARG A 88 -20.020 118.716 114.720 1.00 0.00 C ATOM 1276 O ARG A 88 -19.264 118.331 113.827 1.00 0.00 O ATOM 1277 CB ARG A 88 -21.911 118.567 113.087 1.00 0.00 C ATOM 1278 CG ARG A 88 -23.422 118.373 112.955 1.00 0.00 C ATOM 1279 CD ARG A 88 -23.787 118.190 111.481 1.00 0.00 C ATOM 1280 NE ARG A 88 -23.275 116.916 110.988 1.00 0.00 N ATOM 1281 CZ ARG A 88 -23.860 115.768 111.314 1.00 0.00 C ATOM 1282 NH1 ARG A 88 -23.384 114.641 110.860 1.00 0.00 N1+ ATOM 1283 NH2 ARG A 88 -24.911 115.768 112.087 1.00 0.00 N ATOM 0 H ARG A 88 -22.828 119.690 115.849 1.00 0.00 H new ATOM 0 HA ARG A 88 -21.919 117.768 115.067 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -21.604 119.475 112.568 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -21.385 117.737 112.615 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -23.739 117.503 113.530 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -23.947 119.235 113.366 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -24.870 118.226 111.360 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -23.373 119.009 110.892 1.00 0.00 H new ATOM 0 HE ARG A 88 -22.454 116.906 110.383 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -22.563 114.641 110.255 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -23.833 113.760 111.110 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -25.284 116.649 112.441 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -25.360 114.887 112.337 1.00 0.00 H new ATOM 1297 N LEU A 89 -19.599 119.250 115.870 1.00 0.00 N ATOM 1298 CA LEU A 89 -18.179 119.430 116.183 1.00 0.00 C ATOM 1299 C LEU A 89 -17.632 118.253 116.991 1.00 0.00 C ATOM 1300 O LEU A 89 -18.301 117.736 117.886 1.00 0.00 O ATOM 1301 CB LEU A 89 -18.038 120.727 116.985 1.00 0.00 C ATOM 1302 CG LEU A 89 -16.560 121.074 117.233 1.00 0.00 C ATOM 1303 CD1 LEU A 89 -15.848 121.415 115.900 1.00 0.00 C ATOM 1304 CD2 LEU A 89 -16.487 122.279 118.193 1.00 0.00 C ATOM 0 H LEU A 89 -20.229 119.568 116.606 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.606 119.481 115.257 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.520 121.544 116.447 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.555 120.625 117.939 1.00 0.00 H new ATOM 0 HG LEU A 89 -16.057 120.214 117.675 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.804 121.658 116.097 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.901 120.557 115.229 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -16.338 122.270 115.434 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.444 122.535 118.377 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.997 123.132 117.745 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.969 122.022 119.136 1.00 0.00 H new ATOM 1316 N ARG A 90 -16.409 117.833 116.658 1.00 0.00 N ATOM 1317 CA ARG A 90 -15.762 116.711 117.346 1.00 0.00 C ATOM 1318 C ARG A 90 -15.011 117.163 118.601 1.00 0.00 C ATOM 1319 O ARG A 90 -15.010 116.466 119.615 1.00 0.00 O ATOM 1320 CB ARG A 90 -14.780 116.024 116.393 1.00 0.00 C ATOM 1321 CG ARG A 90 -15.547 115.431 115.210 1.00 0.00 C ATOM 1322 CD ARG A 90 -14.580 114.655 114.313 1.00 0.00 C ATOM 1323 NE ARG A 90 -15.247 114.258 113.078 1.00 0.00 N ATOM 1324 CZ ARG A 90 -14.696 113.371 112.256 1.00 0.00 C ATOM 1325 NH1 ARG A 90 -15.312 113.031 111.156 1.00 0.00 N1+ ATOM 1326 NH2 ARG A 90 -13.539 112.840 112.547 1.00 0.00 N ATOM 0 H ARG A 90 -15.847 118.252 115.917 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.545 116.018 117.654 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.040 116.741 116.038 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.236 115.239 116.918 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.336 114.771 115.569 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.030 116.225 114.641 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.711 115.272 114.084 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.215 113.772 114.838 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.151 114.668 112.842 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.215 113.446 110.928 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.890 112.350 110.525 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.057 113.106 113.406 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.117 112.159 111.915 1.00 0.00 H new ATOM 1340 N ILE A 91 -14.355 118.321 118.521 1.00 0.00 N ATOM 1341 CA ILE A 91 -13.585 118.835 119.657 1.00 0.00 C ATOM 1342 C ILE A 91 -14.490 119.427 120.735 1.00 0.00 C ATOM 1343 O ILE A 91 -14.113 120.384 121.408 1.00 0.00 O ATOM 1344 CB ILE A 91 -12.556 119.879 119.180 1.00 0.00 C ATOM 1345 CG1 ILE A 91 -13.255 121.135 118.628 1.00 0.00 C ATOM 1346 CG2 ILE A 91 -11.690 119.266 118.079 1.00 0.00 C ATOM 1347 CD1 ILE A 91 -12.207 122.187 118.255 1.00 0.00 C ATOM 0 H ILE A 91 -14.340 118.916 117.692 1.00 0.00 H new ATOM 0 HA ILE A 91 -13.054 117.994 120.103 1.00 0.00 H new ATOM 0 HB ILE A 91 -11.941 120.170 120.032 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.852 120.876 117.753 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.940 121.539 119.373 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -10.961 120.001 117.738 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.169 118.392 118.470 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.322 118.968 117.243 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -12.705 123.074 117.865 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.629 122.455 119.140 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.539 121.782 117.495 1.00 0.00 H new ATOM 1359 N VAL A 92 -15.679 118.858 120.898 1.00 0.00 N ATOM 1360 CA VAL A 92 -16.610 119.352 121.898 1.00 0.00 C ATOM 1361 C VAL A 92 -16.113 118.966 123.309 1.00 0.00 C ATOM 1362 O VAL A 92 -16.046 117.779 123.625 1.00 0.00 O ATOM 1363 CB VAL A 92 -18.002 118.747 121.653 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -17.937 117.206 121.644 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -18.959 119.223 122.755 1.00 0.00 C ATOM 0 H VAL A 92 -16.016 118.063 120.356 1.00 0.00 H new ATOM 0 HA VAL A 92 -16.673 120.438 121.826 1.00 0.00 H new ATOM 0 HB VAL A 92 -18.364 119.077 120.679 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -18.934 116.801 121.469 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.266 116.875 120.851 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -17.565 116.852 122.605 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -19.948 118.797 122.587 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -18.585 118.899 123.726 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -19.024 120.311 122.735 1.00 0.00 H new ATOM 1375 N PRO A 93 -15.745 119.907 124.165 1.00 0.00 N ATOM 1376 CA PRO A 93 -15.248 119.572 125.535 1.00 0.00 C ATOM 1377 C PRO A 93 -16.389 119.278 126.501 1.00 0.00 C ATOM 1378 O PRO A 93 -17.534 119.658 126.256 1.00 0.00 O ATOM 1379 CB PRO A 93 -14.491 120.840 125.946 1.00 0.00 C ATOM 1380 CG PRO A 93 -15.262 121.942 125.295 1.00 0.00 C ATOM 1381 CD PRO A 93 -15.751 121.376 123.955 1.00 0.00 C ATOM 0 HA PRO A 93 -14.632 118.673 125.550 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.464 120.956 127.029 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -13.457 120.818 125.602 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.101 122.253 125.918 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.635 122.821 125.143 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -16.748 121.740 123.707 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.093 121.665 123.135 1.00 0.00 H new ATOM 1389 N GLU A 94 -16.066 118.626 127.611 1.00 0.00 N ATOM 1390 CA GLU A 94 -17.082 118.330 128.606 1.00 0.00 C ATOM 1391 C GLU A 94 -17.574 119.642 129.194 1.00 0.00 C ATOM 1392 O GLU A 94 -16.772 120.513 129.532 1.00 0.00 O ATOM 1393 CB GLU A 94 -16.494 117.455 129.714 1.00 0.00 C ATOM 1394 CG GLU A 94 -17.609 117.015 130.665 1.00 0.00 C ATOM 1395 CD GLU A 94 -17.018 116.221 131.827 1.00 0.00 C ATOM 1396 OE1 GLU A 94 -15.808 116.071 131.861 1.00 0.00 O ATOM 1397 OE2 GLU A 94 -17.785 115.775 132.664 1.00 0.00 O1- ATOM 0 H GLU A 94 -15.127 118.299 127.840 1.00 0.00 H new ATOM 0 HA GLU A 94 -17.909 117.792 128.142 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -16.005 116.582 129.281 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.731 118.008 130.262 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -18.142 117.888 131.043 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -18.336 116.405 130.129 1.00 0.00 H new ATOM 1404 N LEU A 95 -18.892 119.796 129.299 1.00 0.00 N ATOM 1405 CA LEU A 95 -19.477 121.033 129.832 1.00 0.00 C ATOM 1406 C LEU A 95 -19.838 120.873 131.300 1.00 0.00 C ATOM 1407 O LEU A 95 -20.494 119.908 131.692 1.00 0.00 O ATOM 1408 CB LEU A 95 -20.744 121.375 129.044 1.00 0.00 C ATOM 1409 CG LEU A 95 -20.459 121.310 127.538 1.00 0.00 C ATOM 1410 CD1 LEU A 95 -21.687 121.804 126.769 1.00 0.00 C ATOM 1411 CD2 LEU A 95 -19.242 122.182 127.189 1.00 0.00 C ATOM 0 H LEU A 95 -19.574 119.088 129.026 1.00 0.00 H new ATOM 0 HA LEU A 95 -18.742 121.832 129.735 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -21.542 120.678 129.302 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -21.092 122.372 129.314 1.00 0.00 H new ATOM 0 HG LEU A 95 -20.242 120.279 127.259 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -21.488 121.759 125.698 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -22.543 121.172 127.006 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -21.906 122.833 127.055 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -19.050 122.127 126.117 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -19.443 123.216 127.469 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -18.369 121.822 127.733 1.00 0.00 H new ATOM 1423 N THR A 96 -19.420 121.850 132.109 1.00 0.00 N ATOM 1424 CA THR A 96 -19.708 121.859 133.554 1.00 0.00 C ATOM 1425 C THR A 96 -20.485 123.121 133.907 1.00 0.00 C ATOM 1426 O THR A 96 -20.105 124.218 133.510 1.00 0.00 O ATOM 1427 CB THR A 96 -18.393 121.822 134.342 1.00 0.00 C ATOM 1428 OG1 THR A 96 -17.749 120.574 134.125 1.00 0.00 O ATOM 1429 CG2 THR A 96 -18.671 122.012 135.834 1.00 0.00 C ATOM 0 H THR A 96 -18.877 122.652 131.789 1.00 0.00 H new ATOM 0 HA THR A 96 -20.304 120.983 133.812 1.00 0.00 H new ATOM 0 HB THR A 96 -17.745 122.629 134.000 1.00 0.00 H new ATOM 0 HG1 THR A 96 -16.907 120.549 134.626 1.00 0.00 H new ATOM 0 HG21 THR A 96 -17.731 121.984 136.386 1.00 0.00 H new ATOM 0 HG22 THR A 96 -19.157 122.974 135.994 1.00 0.00 H new ATOM 0 HG23 THR A 96 -19.323 121.213 136.187 1.00 0.00 H new ATOM 1437 N PHE A 97 -21.580 122.959 134.660 1.00 0.00 N ATOM 1438 CA PHE A 97 -22.423 124.096 135.068 1.00 0.00 C ATOM 1439 C PHE A 97 -22.196 124.445 136.532 1.00 0.00 C ATOM 1440 O PHE A 97 -22.297 123.589 137.411 1.00 0.00 O ATOM 1441 CB PHE A 97 -23.897 123.738 134.860 1.00 0.00 C ATOM 1442 CG PHE A 97 -24.163 123.537 133.387 1.00 0.00 C ATOM 1443 CD1 PHE A 97 -24.475 124.634 132.576 1.00 0.00 C ATOM 1444 CD2 PHE A 97 -24.097 122.252 132.832 1.00 0.00 C ATOM 1445 CE1 PHE A 97 -24.722 124.449 131.211 1.00 0.00 C ATOM 1446 CE2 PHE A 97 -24.344 122.068 131.466 1.00 0.00 C ATOM 1447 CZ PHE A 97 -24.656 123.165 130.655 1.00 0.00 C ATOM 0 H PHE A 97 -21.905 122.054 135.000 1.00 0.00 H new ATOM 0 HA PHE A 97 -22.155 124.959 134.458 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -24.143 122.831 135.412 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -24.534 124.532 135.251 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -24.525 125.624 133.004 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -23.856 121.405 133.457 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -24.964 125.296 130.586 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -24.294 121.078 131.038 1.00 0.00 H new ATOM 0 HZ PHE A 97 -24.846 123.022 129.601 1.00 0.00 H new ATOM 1457 N PHE A 98 -21.901 125.725 136.788 1.00 0.00 N ATOM 1458 CA PHE A 98 -21.669 126.226 138.154 1.00 0.00 C ATOM 1459 C PHE A 98 -22.587 127.416 138.420 1.00 0.00 C ATOM 1460 O PHE A 98 -22.887 128.188 137.510 1.00 0.00 O ATOM 1461 CB PHE A 98 -20.207 126.664 138.311 1.00 0.00 C ATOM 1462 CG PHE A 98 -19.884 126.850 139.777 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -20.200 128.053 140.421 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -19.265 125.817 140.491 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -19.899 128.220 141.779 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -18.963 125.985 141.847 1.00 0.00 C ATOM 1467 CZ PHE A 98 -19.280 127.186 142.491 1.00 0.00 C ATOM 0 H PHE A 98 -21.816 126.439 136.064 1.00 0.00 H new ATOM 0 HA PHE A 98 -21.882 125.430 138.868 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -19.545 125.916 137.875 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -20.036 127.595 137.770 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -20.676 128.852 139.871 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -19.020 124.890 139.995 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -20.145 129.147 142.277 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -18.485 125.187 142.397 1.00 0.00 H new ATOM 0 HZ PHE A 98 -19.047 127.315 143.538 1.00 0.00 H new ATOM 1477 N TYR A 99 -23.042 127.559 139.670 1.00 0.00 N ATOM 1478 CA TYR A 99 -23.945 128.661 140.055 1.00 0.00 C ATOM 1479 C TYR A 99 -23.232 129.678 140.946 1.00 0.00 C ATOM 1480 O TYR A 99 -22.574 129.311 141.919 1.00 0.00 O ATOM 1481 CB TYR A 99 -25.151 128.087 140.803 1.00 0.00 C ATOM 1482 CG TYR A 99 -24.703 127.512 142.127 1.00 0.00 C ATOM 1483 CD1 TYR A 99 -24.680 128.318 143.271 1.00 0.00 C ATOM 1484 CD2 TYR A 99 -24.312 126.169 142.209 1.00 0.00 C ATOM 1485 CE1 TYR A 99 -24.264 127.782 144.496 1.00 0.00 C ATOM 1486 CE2 TYR A 99 -23.897 125.634 143.433 1.00 0.00 C ATOM 1487 CZ TYR A 99 -23.873 126.440 144.577 1.00 0.00 C ATOM 1488 OH TYR A 99 -23.463 125.913 145.784 1.00 0.00 O ATOM 0 H TYR A 99 -22.803 126.928 140.435 1.00 0.00 H new ATOM 0 HA TYR A 99 -24.270 129.171 139.148 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -25.894 128.867 140.967 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -25.629 127.313 140.202 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -24.983 129.353 143.209 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -24.331 125.547 141.327 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -24.245 128.404 145.379 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -23.595 124.599 143.495 1.00 0.00 H new ATOM 0 HH TYR A 99 -23.227 124.969 145.666 1.00 0.00 H new ATOM 1498 N ASP A 100 -23.389 130.968 140.613 1.00 0.00 N ATOM 1499 CA ASP A 100 -22.780 132.066 141.391 1.00 0.00 C ATOM 1500 C ASP A 100 -23.868 133.008 141.899 1.00 0.00 C ATOM 1501 O ASP A 100 -24.434 133.788 141.132 1.00 0.00 O ATOM 1502 CB ASP A 100 -21.803 132.852 140.511 1.00 0.00 C ATOM 1503 CG ASP A 100 -20.596 131.990 140.166 1.00 0.00 C ATOM 1504 OD1 ASP A 100 -20.403 130.985 140.827 1.00 0.00 O ATOM 1505 OD2 ASP A 100 -19.881 132.348 139.244 1.00 0.00 O1- ATOM 0 H ASP A 100 -23.933 131.280 139.809 1.00 0.00 H new ATOM 0 HA ASP A 100 -22.243 131.639 142.238 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -22.303 133.173 139.597 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -21.479 133.754 141.031 1.00 0.00 H new