USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 574 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 Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0.059) USER MOD Single : A 6 SER OG : rot 70:sc= 0.847 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ -170:sc= -0.0108 (180deg=-0.125) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 164:sc= -0.0982 (180deg=-0.523) USER MOD Single : A -7 MET N :NH3+ -123:sc= 0.0356 (180deg=-0.173) USER MOD Single : A 10 SER OG : rot 180:sc=-0.00131 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 19 ASN : amide:sc= -0.104 K(o=-0.1,f=-1!) USER MOD Single : A 20 SER OG : rot 82:sc= 0.347 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0493 USER MOD Single : A 32 SER OG : rot 180:sc= -0.66 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 164:sc= -0.0524 (180deg=-0.392) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.141 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.984 K(o=-0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -27.194 -22.321 15.683 1.00 20.00 N ATOM 2 CA MET A -7 -28.562 -21.952 16.110 1.00 20.00 C ATOM 3 C MET A -7 -29.530 -22.083 14.946 1.00 20.00 C ATOM 4 O MET A -7 -29.138 -21.962 13.785 1.00 20.00 O ATOM 5 CB MET A -7 -28.592 -20.515 16.638 1.00 20.00 C ATOM 6 CG MET A -7 -27.791 -20.308 17.910 1.00 20.00 C ATOM 7 SD MET A -7 -27.713 -18.577 18.410 1.00 20.00 S ATOM 8 CE MET A -7 -29.451 -18.200 18.632 1.00 20.00 C ATOM 0 H1 MET A -7 -26.838 -23.091 16.285 1.00 20.00 H new ATOM 0 H2 MET A -7 -27.213 -22.636 14.692 1.00 20.00 H new ATOM 0 H3 MET A -7 -26.568 -21.495 15.772 1.00 20.00 H new ATOM 0 HA MET A -7 -28.863 -22.630 16.908 1.00 20.00 H new ATOM 0 HB2 MET A -7 -28.208 -19.847 15.867 1.00 20.00 H new ATOM 0 HB3 MET A -7 -29.627 -20.228 16.822 1.00 20.00 H new ATOM 0 HG2 MET A -7 -28.236 -20.894 18.714 1.00 20.00 H new ATOM 0 HG3 MET A -7 -26.779 -20.685 17.763 1.00 20.00 H new ATOM 0 HE1 MET A -7 -29.553 -17.277 19.203 1.00 20.00 H new ATOM 0 HE2 MET A -7 -29.924 -18.078 17.658 1.00 20.00 H new ATOM 0 HE3 MET A -7 -29.934 -19.015 19.170 1.00 20.00 H new ATOM 20 N ASP A -6 -30.790 -22.340 15.265 1.00 20.00 N ATOM 21 CA ASP A -6 -31.833 -22.459 14.256 1.00 20.00 C ATOM 22 C ASP A -6 -32.465 -21.100 13.998 1.00 20.00 C ATOM 23 O ASP A -6 -32.493 -20.240 14.882 1.00 20.00 O ATOM 24 CB ASP A -6 -32.906 -23.452 14.714 1.00 20.00 C ATOM 25 CG ASP A -6 -33.605 -23.012 15.987 1.00 20.00 C ATOM 26 OD1 ASP A -6 -32.941 -22.950 17.043 1.00 20.00 O ATOM 27 OD2 ASP A -6 -34.819 -22.725 15.944 1.00 20.00 O ATOM 0 H ASP A -6 -31.117 -22.471 16.222 1.00 20.00 H new ATOM 0 HA ASP A -6 -31.384 -22.826 13.333 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -33.645 -23.573 13.922 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -32.448 -24.428 14.875 1.00 20.00 H new ATOM 32 N TYR A -5 -32.958 -20.907 12.786 1.00 20.00 N ATOM 33 CA TYR A -5 -33.590 -19.648 12.414 1.00 20.00 C ATOM 34 C TYR A -5 -35.080 -19.693 12.706 1.00 20.00 C ATOM 35 O TYR A -5 -35.580 -20.693 13.221 1.00 20.00 O ATOM 36 CB TYR A -5 -33.330 -19.320 10.940 1.00 20.00 C ATOM 37 CG TYR A -5 -31.919 -18.841 10.682 1.00 20.00 C ATOM 38 CD1 TYR A -5 -30.862 -19.738 10.589 1.00 20.00 C ATOM 39 CD2 TYR A -5 -31.644 -17.486 10.553 1.00 20.00 C ATOM 40 CE1 TYR A -5 -29.571 -19.296 10.372 1.00 20.00 C ATOM 41 CE2 TYR A -5 -30.355 -17.038 10.338 1.00 20.00 C ATOM 42 CZ TYR A -5 -29.324 -17.946 10.248 1.00 20.00 C ATOM 43 OH TYR A -5 -28.037 -17.499 10.044 1.00 20.00 O ATOM 0 H TYR A -5 -32.934 -21.604 12.042 1.00 20.00 H new ATOM 0 HA TYR A -5 -33.149 -18.853 13.015 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -33.523 -20.207 10.336 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -34.033 -18.554 10.614 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -31.052 -20.796 10.688 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -32.451 -16.771 10.622 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -28.760 -20.005 10.300 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -30.157 -15.981 10.241 1.00 20.00 H new ATOM 0 HH TYR A -5 -28.037 -16.521 9.977 1.00 20.00 H new ATOM 53 N LYS A -4 -35.776 -18.609 12.365 1.00 20.00 N ATOM 54 CA LYS A -4 -37.186 -18.426 12.717 1.00 20.00 C ATOM 55 C LYS A -4 -37.298 -18.163 14.213 1.00 20.00 C ATOM 56 O LYS A -4 -38.029 -18.844 14.936 1.00 20.00 O ATOM 57 CB LYS A -4 -38.046 -19.632 12.311 1.00 20.00 C ATOM 58 CG LYS A -4 -38.069 -19.901 10.808 1.00 20.00 C ATOM 59 CD LYS A -4 -38.600 -18.711 10.020 1.00 20.00 C ATOM 60 CE LYS A -4 -39.993 -18.306 10.478 1.00 20.00 C ATOM 61 NZ LYS A -4 -40.959 -19.434 10.400 1.00 20.00 N ATOM 0 H LYS A -4 -35.379 -17.832 11.837 1.00 20.00 H new ATOM 0 HA LYS A -4 -37.568 -17.569 12.162 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -37.674 -20.519 12.823 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -39.067 -19.470 12.656 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -37.061 -20.140 10.468 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -38.689 -20.774 10.606 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -37.920 -17.867 10.134 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -38.624 -18.959 8.959 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -39.945 -17.941 11.504 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -40.350 -17.480 9.863 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -41.923 -19.077 10.557 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -40.902 -19.876 9.460 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -40.729 -20.139 11.129 1.00 20.00 H new ATOM 75 N ASP A -3 -36.546 -17.169 14.655 1.00 20.00 N ATOM 76 CA ASP A -3 -36.491 -16.782 16.060 1.00 20.00 C ATOM 77 C ASP A -3 -36.112 -15.313 16.167 1.00 20.00 C ATOM 78 O ASP A -3 -36.625 -14.583 17.015 1.00 20.00 O ATOM 79 CB ASP A -3 -35.472 -17.643 16.819 1.00 20.00 C ATOM 80 CG ASP A -3 -35.227 -17.160 18.240 1.00 20.00 C ATOM 81 OD1 ASP A -3 -35.957 -17.588 19.160 1.00 20.00 O ATOM 82 OD2 ASP A -3 -34.290 -16.358 18.447 1.00 20.00 O ATOM 0 H ASP A -3 -35.952 -16.603 14.048 1.00 20.00 H new ATOM 0 HA ASP A -3 -37.473 -16.939 16.507 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -35.825 -18.674 16.847 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -34.528 -17.644 16.274 1.00 20.00 H new ATOM 87 N ASP A -2 -35.215 -14.886 15.283 1.00 20.00 N ATOM 88 CA ASP A -2 -34.770 -13.498 15.244 1.00 20.00 C ATOM 89 C ASP A -2 -35.884 -12.596 14.744 1.00 20.00 C ATOM 90 O ASP A -2 -35.949 -11.416 15.091 1.00 20.00 O ATOM 91 CB ASP A -2 -33.545 -13.339 14.344 1.00 20.00 C ATOM 92 CG ASP A -2 -32.354 -14.133 14.834 1.00 20.00 C ATOM 93 OD1 ASP A -2 -31.838 -13.821 15.930 1.00 20.00 O ATOM 94 OD2 ASP A -2 -31.920 -15.062 14.123 1.00 20.00 O ATOM 0 H ASP A -2 -34.781 -15.485 14.581 1.00 20.00 H new ATOM 0 HA ASP A -2 -34.499 -13.209 16.260 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -33.798 -13.658 13.333 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -33.275 -12.284 14.287 1.00 20.00 H new ATOM 99 N ASP A -1 -36.751 -13.160 13.916 1.00 20.00 N ATOM 100 CA ASP A -1 -37.907 -12.443 13.392 1.00 20.00 C ATOM 101 C ASP A -1 -38.986 -12.298 14.465 1.00 20.00 C ATOM 102 O ASP A -1 -39.986 -13.016 14.476 1.00 20.00 O ATOM 103 CB ASP A -1 -38.464 -13.151 12.144 1.00 20.00 C ATOM 104 CG ASP A -1 -38.654 -14.644 12.340 1.00 20.00 C ATOM 105 OD1 ASP A -1 -37.639 -15.368 12.387 1.00 20.00 O ATOM 106 OD2 ASP A -1 -39.814 -15.097 12.428 1.00 20.00 O ATOM 0 H ASP A -1 -36.675 -14.123 13.589 1.00 20.00 H new ATOM 0 HA ASP A -1 -37.586 -11.443 13.100 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -39.420 -12.702 11.875 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -37.787 -12.984 11.307 1.00 20.00 H new ATOM 111 N ASP A 0 -38.769 -11.355 15.372 1.00 20.00 N ATOM 112 CA ASP A 0 -39.702 -11.098 16.463 1.00 20.00 C ATOM 113 C ASP A 0 -41.029 -10.580 15.930 1.00 20.00 C ATOM 114 O ASP A 0 -42.096 -11.029 16.349 1.00 20.00 O ATOM 115 CB ASP A 0 -39.109 -10.085 17.444 1.00 20.00 C ATOM 116 CG ASP A 0 -40.087 -9.684 18.532 1.00 20.00 C ATOM 117 OD1 ASP A 0 -40.169 -10.395 19.555 1.00 20.00 O ATOM 118 OD2 ASP A 0 -40.773 -8.654 18.374 1.00 20.00 O ATOM 0 H ASP A 0 -37.948 -10.750 15.374 1.00 20.00 H new ATOM 0 HA ASP A 0 -39.878 -12.039 16.984 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -38.215 -10.509 17.902 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -38.795 -9.196 16.897 1.00 20.00 H new ATOM 123 N LYS A 1 -40.951 -9.659 14.979 1.00 20.00 N ATOM 124 CA LYS A 1 -42.143 -9.035 14.416 1.00 20.00 C ATOM 125 C LYS A 1 -42.752 -9.906 13.319 1.00 20.00 C ATOM 126 O LYS A 1 -43.748 -9.534 12.700 1.00 20.00 O ATOM 127 CB LYS A 1 -41.834 -7.636 13.863 1.00 20.00 C ATOM 128 CG LYS A 1 -41.517 -6.583 14.923 1.00 20.00 C ATOM 129 CD LYS A 1 -40.158 -6.800 15.569 1.00 20.00 C ATOM 130 CE LYS A 1 -39.832 -5.698 16.562 1.00 20.00 C ATOM 131 NZ LYS A 1 -38.546 -5.944 17.264 1.00 20.00 N ATOM 0 H LYS A 1 -40.073 -9.326 14.580 1.00 20.00 H new ATOM 0 HA LYS A 1 -42.867 -8.933 15.225 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -40.988 -7.710 13.180 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -42.688 -7.296 13.277 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -41.546 -5.593 14.467 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -42.289 -6.602 15.692 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -40.145 -7.764 16.077 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -39.389 -6.836 14.798 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -39.783 -4.742 16.040 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -40.636 -5.620 17.294 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -38.361 -5.169 17.932 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -38.601 -6.843 17.784 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -37.774 -5.992 16.568 1.00 20.00 H new ATOM 145 N ASN A 2 -42.123 -11.059 13.086 1.00 20.00 N ATOM 146 CA ASN A 2 -42.597 -12.049 12.117 1.00 20.00 C ATOM 147 C ASN A 2 -42.490 -11.515 10.689 1.00 20.00 C ATOM 148 O ASN A 2 -43.492 -11.165 10.066 1.00 20.00 O ATOM 149 CB ASN A 2 -44.039 -12.476 12.435 1.00 20.00 C ATOM 150 CG ASN A 2 -44.498 -13.681 11.630 1.00 20.00 C ATOM 151 OD1 ASN A 2 -45.055 -13.548 10.542 1.00 20.00 O ATOM 152 ND2 ASN A 2 -44.287 -14.871 12.175 1.00 20.00 N ATOM 0 H ASN A 2 -41.266 -11.334 13.566 1.00 20.00 H new ATOM 0 HA ASN A 2 -41.957 -12.928 12.194 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -44.117 -12.706 13.498 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -44.710 -11.640 12.240 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -44.590 -15.715 11.690 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -43.821 -14.942 13.080 1.00 20.00 H new ATOM 159 N ARG A 3 -41.256 -11.437 10.193 1.00 20.00 N ATOM 160 CA ARG A 3 -40.980 -11.016 8.816 1.00 20.00 C ATOM 161 C ARG A 3 -41.402 -9.573 8.572 1.00 20.00 C ATOM 162 O ARG A 3 -41.794 -9.206 7.464 1.00 20.00 O ATOM 163 CB ARG A 3 -41.668 -11.947 7.811 1.00 20.00 C ATOM 164 CG ARG A 3 -41.025 -13.318 7.707 1.00 20.00 C ATOM 165 CD ARG A 3 -39.622 -13.233 7.122 1.00 20.00 C ATOM 166 NE ARG A 3 -39.625 -12.630 5.788 1.00 20.00 N ATOM 167 CZ ARG A 3 -38.529 -12.231 5.144 1.00 20.00 C ATOM 168 NH1 ARG A 3 -37.336 -12.348 5.717 1.00 20.00 N ATOM 169 NH2 ARG A 3 -38.626 -11.706 3.929 1.00 20.00 N ATOM 0 H ARG A 3 -40.420 -11.663 10.731 1.00 20.00 H new ATOM 0 HA ARG A 3 -39.902 -11.078 8.670 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -42.713 -12.067 8.097 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -41.659 -11.476 6.828 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -40.981 -13.776 8.695 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -41.642 -13.964 7.083 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -38.987 -12.646 7.785 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -39.189 -14.232 7.068 1.00 20.00 H new ATOM 0 HE ARG A 3 -40.524 -12.507 5.322 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -37.257 -12.745 6.653 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -36.499 -12.041 5.220 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -39.540 -11.608 3.487 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -37.786 -11.401 3.437 1.00 20.00 H new ATOM 183 N ALA A 4 -41.317 -8.760 9.608 1.00 20.00 N ATOM 184 CA ALA A 4 -41.612 -7.344 9.492 1.00 20.00 C ATOM 185 C ALA A 4 -40.376 -6.536 9.856 1.00 20.00 C ATOM 186 O ALA A 4 -40.250 -6.046 10.980 1.00 20.00 O ATOM 187 CB ALA A 4 -42.790 -6.964 10.374 1.00 20.00 C ATOM 0 H ALA A 4 -41.044 -9.058 10.545 1.00 20.00 H new ATOM 0 HA ALA A 4 -41.888 -7.121 8.461 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -42.993 -5.898 10.271 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -43.670 -7.532 10.071 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -42.553 -7.189 11.414 1.00 20.00 H new ATOM 193 N LEU A 5 -39.465 -6.419 8.891 1.00 20.00 N ATOM 194 CA LEU A 5 -38.166 -5.783 9.096 1.00 20.00 C ATOM 195 C LEU A 5 -38.305 -4.393 9.706 1.00 20.00 C ATOM 196 O LEU A 5 -38.635 -3.426 9.018 1.00 20.00 O ATOM 197 CB LEU A 5 -37.413 -5.687 7.764 1.00 20.00 C ATOM 198 CG LEU A 5 -37.145 -7.021 7.055 1.00 20.00 C ATOM 199 CD1 LEU A 5 -36.538 -6.779 5.681 1.00 20.00 C ATOM 200 CD2 LEU A 5 -36.227 -7.904 7.889 1.00 20.00 C ATOM 0 H LEU A 5 -39.608 -6.764 7.942 1.00 20.00 H new ATOM 0 HA LEU A 5 -37.604 -6.402 9.795 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -37.983 -5.047 7.091 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -36.458 -5.193 7.942 1.00 20.00 H new ATOM 0 HG LEU A 5 -38.097 -7.537 6.932 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -36.354 -7.735 5.191 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -37.228 -6.189 5.077 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -35.597 -6.239 5.789 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -36.052 -8.844 7.365 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -35.277 -7.394 8.047 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -36.694 -8.107 8.853 1.00 20.00 H new ATOM 212 N SER A 6 -38.058 -4.308 11.001 1.00 20.00 N ATOM 213 CA SER A 6 -38.083 -3.047 11.715 1.00 20.00 C ATOM 214 C SER A 6 -36.808 -2.911 12.545 1.00 20.00 C ATOM 215 O SER A 6 -36.823 -3.084 13.765 1.00 20.00 O ATOM 216 CB SER A 6 -39.323 -2.984 12.608 1.00 20.00 C ATOM 217 OG SER A 6 -40.489 -3.346 11.879 1.00 20.00 O ATOM 0 H SER A 6 -37.834 -5.113 11.586 1.00 20.00 H new ATOM 0 HA SER A 6 -38.129 -2.220 11.006 1.00 20.00 H new ATOM 0 HB2 SER A 6 -39.198 -3.654 13.459 1.00 20.00 H new ATOM 0 HB3 SER A 6 -39.437 -1.977 13.009 1.00 20.00 H new ATOM 0 HG SER A 6 -40.465 -4.305 11.679 1.00 20.00 H new ATOM 223 N PRO A 7 -35.680 -2.610 11.881 1.00 20.00 N ATOM 224 CA PRO A 7 -34.366 -2.584 12.517 1.00 20.00 C ATOM 225 C PRO A 7 -34.180 -1.387 13.441 1.00 20.00 C ATOM 226 O PRO A 7 -34.072 -0.246 12.989 1.00 20.00 O ATOM 227 CB PRO A 7 -33.377 -2.500 11.343 1.00 20.00 C ATOM 228 CG PRO A 7 -34.195 -2.655 10.100 1.00 20.00 C ATOM 229 CD PRO A 7 -35.599 -2.262 10.459 1.00 20.00 C ATOM 0 HA PRO A 7 -34.223 -3.461 13.149 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -32.849 -1.546 11.346 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -32.622 -3.283 11.413 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -33.808 -2.023 9.300 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -34.161 -3.683 9.739 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -35.777 -1.200 10.292 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -36.335 -2.806 9.867 1.00 20.00 H new ATOM 237 N MET A 8 -34.159 -1.655 14.734 1.00 20.00 N ATOM 238 CA MET A 8 -33.845 -0.637 15.724 1.00 20.00 C ATOM 239 C MET A 8 -32.514 -0.958 16.372 1.00 20.00 C ATOM 240 O MET A 8 -32.230 -2.120 16.664 1.00 20.00 O ATOM 241 CB MET A 8 -34.942 -0.532 16.786 1.00 20.00 C ATOM 242 CG MET A 8 -36.166 0.234 16.315 1.00 20.00 C ATOM 243 SD MET A 8 -35.758 1.907 15.778 1.00 20.00 S ATOM 244 CE MET A 8 -37.382 2.532 15.363 1.00 20.00 C ATOM 0 H MET A 8 -34.357 -2.575 15.127 1.00 20.00 H new ATOM 0 HA MET A 8 -33.783 0.327 15.220 1.00 20.00 H new ATOM 0 HB2 MET A 8 -35.244 -1.535 17.086 1.00 20.00 H new ATOM 0 HB3 MET A 8 -34.535 -0.043 17.671 1.00 20.00 H new ATOM 0 HG2 MET A 8 -36.636 -0.305 15.492 1.00 20.00 H new ATOM 0 HG3 MET A 8 -36.896 0.281 17.123 1.00 20.00 H new ATOM 0 HE1 MET A 8 -37.297 3.561 15.013 1.00 20.00 H new ATOM 0 HE2 MET A 8 -37.819 1.916 14.577 1.00 20.00 H new ATOM 0 HE3 MET A 8 -38.020 2.501 16.246 1.00 20.00 H new ATOM 254 N VAL A 9 -31.701 0.073 16.583 1.00 20.00 N ATOM 255 CA VAL A 9 -30.339 -0.103 17.081 1.00 20.00 C ATOM 256 C VAL A 9 -29.600 -1.101 16.187 1.00 20.00 C ATOM 257 O VAL A 9 -29.088 -2.128 16.638 1.00 20.00 O ATOM 258 CB VAL A 9 -30.319 -0.577 18.553 1.00 20.00 C ATOM 259 CG1 VAL A 9 -28.911 -0.504 19.129 1.00 20.00 C ATOM 260 CG2 VAL A 9 -31.281 0.250 19.397 1.00 20.00 C ATOM 0 H VAL A 9 -31.963 1.045 16.416 1.00 20.00 H new ATOM 0 HA VAL A 9 -29.836 0.863 17.050 1.00 20.00 H new ATOM 0 HB VAL A 9 -30.644 -1.617 18.576 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -28.924 -0.843 20.165 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -28.246 -1.142 18.547 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -28.554 0.525 19.088 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -31.252 -0.099 20.429 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -30.987 1.299 19.361 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -32.293 0.143 19.006 1.00 20.00 H new ATOM 270 N SER A 10 -29.611 -0.805 14.896 1.00 20.00 N ATOM 271 CA SER A 10 -28.954 -1.634 13.898 1.00 20.00 C ATOM 272 C SER A 10 -28.515 -0.775 12.718 1.00 20.00 C ATOM 273 O SER A 10 -28.488 -1.234 11.575 1.00 20.00 O ATOM 274 CB SER A 10 -29.892 -2.745 13.420 1.00 20.00 C ATOM 275 OG SER A 10 -30.274 -3.585 14.495 1.00 20.00 O ATOM 0 H SER A 10 -30.076 0.017 14.511 1.00 20.00 H new ATOM 0 HA SER A 10 -28.076 -2.095 14.351 1.00 20.00 H new ATOM 0 HB2 SER A 10 -30.779 -2.306 12.964 1.00 20.00 H new ATOM 0 HB3 SER A 10 -29.398 -3.337 12.649 1.00 20.00 H new ATOM 0 HG SER A 10 -30.874 -4.286 14.165 1.00 20.00 H new ATOM 281 N GLU A 11 -28.172 0.473 13.026 1.00 20.00 N ATOM 282 CA GLU A 11 -27.765 1.456 12.022 1.00 20.00 C ATOM 283 C GLU A 11 -28.860 1.647 10.979 1.00 20.00 C ATOM 284 O GLU A 11 -28.657 1.412 9.788 1.00 20.00 O ATOM 285 CB GLU A 11 -26.453 1.037 11.358 1.00 20.00 C ATOM 286 CG GLU A 11 -25.313 0.843 12.342 1.00 20.00 C ATOM 287 CD GLU A 11 -25.147 2.017 13.283 1.00 20.00 C ATOM 288 OE1 GLU A 11 -24.710 3.096 12.828 1.00 20.00 O ATOM 289 OE2 GLU A 11 -25.464 1.874 14.483 1.00 20.00 O ATOM 0 H GLU A 11 -28.168 0.833 13.980 1.00 20.00 H new ATOM 0 HA GLU A 11 -27.604 2.410 12.524 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -26.612 0.108 10.810 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -26.167 1.793 10.627 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -25.491 -0.061 12.924 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -24.385 0.690 11.791 1.00 20.00 H new ATOM 296 N PHE A 12 -30.021 2.100 11.437 1.00 20.00 N ATOM 297 CA PHE A 12 -31.182 2.253 10.568 1.00 20.00 C ATOM 298 C PHE A 12 -31.156 3.593 9.837 1.00 20.00 C ATOM 299 O PHE A 12 -32.158 4.308 9.761 1.00 20.00 O ATOM 300 CB PHE A 12 -32.486 2.076 11.359 1.00 20.00 C ATOM 301 CG PHE A 12 -32.577 2.883 12.630 1.00 20.00 C ATOM 302 CD1 PHE A 12 -32.127 2.358 13.833 1.00 20.00 C ATOM 303 CD2 PHE A 12 -33.121 4.159 12.626 1.00 20.00 C ATOM 304 CE1 PHE A 12 -32.219 3.088 15.002 1.00 20.00 C ATOM 305 CE2 PHE A 12 -33.215 4.892 13.792 1.00 20.00 C ATOM 306 CZ PHE A 12 -32.762 4.357 14.981 1.00 20.00 C ATOM 0 H PHE A 12 -30.184 2.368 12.407 1.00 20.00 H new ATOM 0 HA PHE A 12 -31.139 1.468 9.813 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -33.323 2.346 10.715 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -32.602 1.021 11.608 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -31.700 1.366 13.856 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -33.476 4.584 11.699 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -31.866 2.666 15.932 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -33.643 5.884 13.774 1.00 20.00 H new ATOM 0 HZ PHE A 12 -32.832 4.930 15.894 1.00 20.00 H new ATOM 316 N GLU A 13 -30.000 3.917 9.294 1.00 20.00 N ATOM 317 CA GLU A 13 -29.846 5.097 8.468 1.00 20.00 C ATOM 318 C GLU A 13 -29.501 4.664 7.050 1.00 20.00 C ATOM 319 O GLU A 13 -29.983 5.231 6.069 1.00 20.00 O ATOM 320 CB GLU A 13 -28.759 6.011 9.037 1.00 20.00 C ATOM 321 CG GLU A 13 -28.772 7.410 8.448 1.00 20.00 C ATOM 322 CD GLU A 13 -30.087 8.120 8.691 1.00 20.00 C ATOM 323 OE1 GLU A 13 -30.372 8.475 9.853 1.00 20.00 O ATOM 324 OE2 GLU A 13 -30.846 8.325 7.723 1.00 20.00 O ATOM 0 H GLU A 13 -29.145 3.373 9.412 1.00 20.00 H new ATOM 0 HA GLU A 13 -30.779 5.660 8.456 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -28.883 6.080 10.118 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -27.784 5.559 8.856 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -27.960 7.993 8.883 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -28.584 7.353 7.376 1.00 20.00 H new ATOM 331 N THR A 14 -28.685 3.626 6.959 1.00 20.00 N ATOM 332 CA THR A 14 -28.313 3.041 5.686 1.00 20.00 C ATOM 333 C THR A 14 -28.901 1.641 5.570 1.00 20.00 C ATOM 334 O THR A 14 -28.175 0.652 5.453 1.00 20.00 O ATOM 335 CB THR A 14 -26.782 2.977 5.541 1.00 20.00 C ATOM 336 OG1 THR A 14 -26.205 2.397 6.722 1.00 20.00 O ATOM 337 CG2 THR A 14 -26.198 4.361 5.314 1.00 20.00 C ATOM 0 H THR A 14 -28.263 3.167 7.767 1.00 20.00 H new ATOM 0 HA THR A 14 -28.710 3.669 4.888 1.00 20.00 H new ATOM 0 HB THR A 14 -26.547 2.358 4.676 1.00 20.00 H new ATOM 0 HG1 THR A 14 -25.231 2.357 6.624 1.00 20.00 H new ATOM 0 HG21 THR A 14 -25.115 4.287 5.215 1.00 20.00 H new ATOM 0 HG22 THR A 14 -26.617 4.788 4.403 1.00 20.00 H new ATOM 0 HG23 THR A 14 -26.442 5.002 6.161 1.00 20.00 H new ATOM 345 N ILE A 15 -30.226 1.569 5.603 1.00 20.00 N ATOM 346 CA ILE A 15 -30.925 0.295 5.646 1.00 20.00 C ATOM 347 C ILE A 15 -30.642 -0.517 4.391 1.00 20.00 C ATOM 348 O ILE A 15 -30.389 -1.716 4.467 1.00 20.00 O ATOM 349 CB ILE A 15 -32.457 0.462 5.802 1.00 20.00 C ATOM 350 CG1 ILE A 15 -32.813 1.254 7.065 1.00 20.00 C ATOM 351 CG2 ILE A 15 -33.130 -0.899 5.842 1.00 20.00 C ATOM 352 CD1 ILE A 15 -32.723 2.754 6.906 1.00 20.00 C ATOM 0 H ILE A 15 -30.839 2.384 5.601 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.550 -0.230 6.524 1.00 20.00 H new ATOM 0 HB ILE A 15 -32.818 1.022 4.940 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -33.827 0.993 7.369 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -32.148 0.946 7.872 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -34.207 -0.769 5.952 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -32.922 -1.435 4.916 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -32.745 -1.470 6.687 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -32.991 3.236 7.846 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -31.704 3.031 6.634 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -33.409 3.079 6.123 1.00 20.00 H new ATOM 364 N GLU A 16 -30.659 0.147 3.241 1.00 20.00 N ATOM 365 CA GLU A 16 -30.442 -0.533 1.972 1.00 20.00 C ATOM 366 C GLU A 16 -29.039 -1.132 1.920 1.00 20.00 C ATOM 367 O GLU A 16 -28.849 -2.257 1.456 1.00 20.00 O ATOM 368 CB GLU A 16 -30.675 0.416 0.781 1.00 20.00 C ATOM 369 CG GLU A 16 -29.599 1.477 0.569 1.00 20.00 C ATOM 370 CD GLU A 16 -29.552 2.515 1.669 1.00 20.00 C ATOM 371 OE1 GLU A 16 -30.368 3.459 1.637 1.00 20.00 O ATOM 372 OE2 GLU A 16 -28.700 2.390 2.571 1.00 20.00 O ATOM 0 H GLU A 16 -30.820 1.151 3.162 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.168 -1.343 1.896 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.756 -0.181 -0.127 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.633 0.917 0.920 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -28.627 0.989 0.499 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.775 1.976 -0.384 1.00 20.00 H new ATOM 379 N GLN A 17 -28.072 -0.389 2.442 1.00 20.00 N ATOM 380 CA GLN A 17 -26.683 -0.820 2.439 1.00 20.00 C ATOM 381 C GLN A 17 -26.487 -2.017 3.360 1.00 20.00 C ATOM 382 O GLN A 17 -25.754 -2.954 3.038 1.00 20.00 O ATOM 383 CB GLN A 17 -25.783 0.336 2.877 1.00 20.00 C ATOM 384 CG GLN A 17 -24.297 0.045 2.759 1.00 20.00 C ATOM 385 CD GLN A 17 -23.447 1.192 3.269 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.855 2.351 3.213 1.00 20.00 O ATOM 387 NE2 GLN A 17 -22.256 0.882 3.758 1.00 20.00 N ATOM 0 H GLN A 17 -28.227 0.521 2.875 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.414 -1.122 1.427 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.019 1.214 2.276 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.012 0.588 3.913 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.060 -0.859 3.321 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.049 -0.153 1.716 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -21.954 -0.092 3.787 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.640 1.617 4.106 1.00 20.00 H new ATOM 396 N GLU A 18 -27.156 -1.991 4.500 1.00 20.00 N ATOM 397 CA GLU A 18 -27.044 -3.070 5.465 1.00 20.00 C ATOM 398 C GLU A 18 -27.838 -4.285 5.001 1.00 20.00 C ATOM 399 O GLU A 18 -27.401 -5.424 5.164 1.00 20.00 O ATOM 400 CB GLU A 18 -27.532 -2.616 6.847 1.00 20.00 C ATOM 401 CG GLU A 18 -26.747 -1.447 7.423 1.00 20.00 C ATOM 402 CD GLU A 18 -25.253 -1.687 7.418 1.00 20.00 C ATOM 403 OE1 GLU A 18 -24.766 -2.466 8.266 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.556 -1.101 6.566 1.00 20.00 O ATOM 0 H GLU A 18 -27.782 -1.235 4.779 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.993 -3.347 5.544 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.583 -2.336 6.777 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.472 -3.457 7.538 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.968 -0.548 6.848 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.077 -1.261 8.445 1.00 20.00 H new ATOM 411 N ASN A 19 -28.993 -4.034 4.396 1.00 20.00 N ATOM 412 CA ASN A 19 -29.884 -5.107 3.960 1.00 20.00 C ATOM 413 C ASN A 19 -29.275 -5.879 2.794 1.00 20.00 C ATOM 414 O ASN A 19 -29.239 -7.108 2.815 1.00 20.00 O ATOM 415 CB ASN A 19 -31.257 -4.547 3.563 1.00 20.00 C ATOM 416 CG ASN A 19 -32.340 -5.616 3.493 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.065 -6.796 3.262 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.587 -5.207 3.679 1.00 20.00 N ATOM 0 H ASN A 19 -29.337 -3.095 4.195 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.016 -5.792 4.797 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.554 -3.784 4.283 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.176 -4.056 2.593 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -34.355 -5.876 3.633 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.778 -4.223 3.868 1.00 20.00 H new ATOM 425 N SER A 20 -28.785 -5.163 1.784 1.00 20.00 N ATOM 426 CA SER A 20 -28.198 -5.807 0.612 1.00 20.00 C ATOM 427 C SER A 20 -26.943 -6.591 0.991 1.00 20.00 C ATOM 428 O SER A 20 -26.670 -7.654 0.429 1.00 20.00 O ATOM 429 CB SER A 20 -27.878 -4.769 -0.468 1.00 20.00 C ATOM 430 OG SER A 20 -29.054 -4.089 -0.880 1.00 20.00 O ATOM 0 H SER A 20 -28.783 -4.143 1.754 1.00 20.00 H new ATOM 0 HA SER A 20 -28.928 -6.510 0.211 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.153 -4.051 -0.085 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.418 -5.260 -1.325 1.00 20.00 H new ATOM 0 HG SER A 20 -29.255 -3.369 -0.246 1.00 20.00 H new ATOM 436 N TYR A 21 -26.195 -6.076 1.959 1.00 20.00 N ATOM 437 CA TYR A 21 -25.004 -6.759 2.437 1.00 20.00 C ATOM 438 C TYR A 21 -25.400 -8.006 3.223 1.00 20.00 C ATOM 439 O TYR A 21 -24.834 -9.078 3.029 1.00 20.00 O ATOM 440 CB TYR A 21 -24.155 -5.824 3.306 1.00 20.00 C ATOM 441 CG TYR A 21 -22.812 -6.407 3.697 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.782 -6.504 2.768 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.572 -6.855 4.991 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.554 -7.033 3.117 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.345 -7.383 5.346 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.341 -7.469 4.406 1.00 20.00 C ATOM 447 OH TYR A 21 -19.120 -7.998 4.755 1.00 20.00 O ATOM 0 H TYR A 21 -26.393 -5.191 2.426 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.405 -7.059 1.577 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.993 -4.890 2.768 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.712 -5.578 4.210 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.944 -6.160 1.757 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.357 -6.789 5.730 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.765 -7.104 2.383 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.174 -7.727 6.355 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.134 -8.257 5.700 1.00 20.00 H new ATOM 457 N ASN A 22 -26.401 -7.857 4.086 1.00 20.00 N ATOM 458 CA ASN A 22 -26.905 -8.969 4.894 1.00 20.00 C ATOM 459 C ASN A 22 -27.476 -10.068 4.004 1.00 20.00 C ATOM 460 O ASN A 22 -27.275 -11.257 4.257 1.00 20.00 O ATOM 461 CB ASN A 22 -27.982 -8.472 5.869 1.00 20.00 C ATOM 462 CG ASN A 22 -28.629 -9.593 6.664 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.642 -10.158 6.250 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.060 -9.912 7.815 1.00 20.00 N ATOM 0 H ASN A 22 -26.883 -6.972 4.246 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.072 -9.382 5.464 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.536 -7.756 6.559 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.752 -7.940 5.310 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.460 -10.650 8.394 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.221 -9.420 8.123 1.00 20.00 H new ATOM 471 N GLU A 23 -28.171 -9.649 2.951 1.00 20.00 N ATOM 472 CA GLU A 23 -28.796 -10.565 2.004 1.00 20.00 C ATOM 473 C GLU A 23 -27.770 -11.529 1.416 1.00 20.00 C ATOM 474 O GLU A 23 -28.058 -12.708 1.202 1.00 20.00 O ATOM 475 CB GLU A 23 -29.480 -9.761 0.891 1.00 20.00 C ATOM 476 CG GLU A 23 -30.226 -10.606 -0.128 1.00 20.00 C ATOM 477 CD GLU A 23 -30.991 -9.757 -1.120 1.00 20.00 C ATOM 478 OE1 GLU A 23 -32.045 -9.207 -0.745 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.541 -9.626 -2.280 1.00 20.00 O ATOM 0 H GLU A 23 -28.317 -8.664 2.730 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.543 -11.159 2.530 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -30.180 -9.059 1.344 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.726 -9.169 0.372 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.517 -11.238 -0.663 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.918 -11.270 0.389 1.00 20.00 H new ATOM 486 N TRP A 24 -26.569 -11.030 1.170 1.00 20.00 N ATOM 487 CA TRP A 24 -25.509 -11.851 0.612 1.00 20.00 C ATOM 488 C TRP A 24 -24.689 -12.508 1.724 1.00 20.00 C ATOM 489 O TRP A 24 -24.324 -13.678 1.629 1.00 20.00 O ATOM 490 CB TRP A 24 -24.606 -11.002 -0.288 1.00 20.00 C ATOM 491 CG TRP A 24 -23.567 -11.798 -1.011 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.722 -12.470 -2.188 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.210 -12.007 -0.603 1.00 20.00 C ATOM 494 NE1 TRP A 24 -22.543 -13.079 -2.541 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.601 -12.812 -1.582 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.452 -11.590 0.496 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -20.269 -13.209 -1.494 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -20.133 -11.985 0.582 1.00 20.00 C ATOM 499 CH2 TRP A 24 -19.552 -12.787 -0.408 1.00 20.00 C ATOM 0 H TRP A 24 -26.305 -10.061 1.348 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.962 -12.641 0.013 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -25.223 -10.477 -1.017 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -24.113 -10.242 0.318 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.638 -12.516 -2.759 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -22.393 -13.639 -3.380 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.891 -10.970 1.263 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -19.818 -13.828 -2.256 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.539 -11.670 1.427 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -18.516 -13.078 -0.312 1.00 20.00 H new ATOM 510 N LEU A 25 -24.435 -11.755 2.791 1.00 20.00 N ATOM 511 CA LEU A 25 -23.571 -12.210 3.879 1.00 20.00 C ATOM 512 C LEU A 25 -24.133 -13.450 4.567 1.00 20.00 C ATOM 513 O LEU A 25 -23.383 -14.235 5.149 1.00 20.00 O ATOM 514 CB LEU A 25 -23.386 -11.094 4.911 1.00 20.00 C ATOM 515 CG LEU A 25 -22.398 -11.403 6.040 1.00 20.00 C ATOM 516 CD1 LEU A 25 -20.982 -11.527 5.500 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.470 -10.333 7.117 1.00 20.00 C ATOM 0 H LEU A 25 -24.818 -10.820 2.926 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.607 -12.471 3.441 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.051 -10.195 4.393 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.356 -10.865 5.352 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.675 -12.359 6.485 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.298 -11.747 6.320 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -20.941 -12.333 4.768 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.690 -10.590 5.025 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.762 -10.568 7.911 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.221 -9.364 6.684 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.479 -10.299 7.529 1.00 20.00 H new ATOM 529 N ARG A 26 -25.451 -13.627 4.496 1.00 20.00 N ATOM 530 CA ARG A 26 -26.099 -14.784 5.109 1.00 20.00 C ATOM 531 C ARG A 26 -25.539 -16.086 4.539 1.00 20.00 C ATOM 532 O ARG A 26 -25.587 -17.133 5.189 1.00 20.00 O ATOM 533 CB ARG A 26 -27.620 -14.741 4.912 1.00 20.00 C ATOM 534 CG ARG A 26 -28.066 -14.955 3.474 1.00 20.00 C ATOM 535 CD ARG A 26 -29.571 -15.157 3.379 1.00 20.00 C ATOM 536 NE ARG A 26 -29.997 -15.469 2.014 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.536 -16.635 1.647 1.00 20.00 C ATOM 538 NH1 ARG A 26 -30.684 -17.614 2.530 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.920 -16.824 0.390 1.00 20.00 N ATOM 0 H ARG A 26 -26.088 -12.987 4.022 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.889 -14.747 6.178 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.079 -15.504 5.541 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.993 -13.777 5.257 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.775 -14.095 2.870 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.555 -15.824 3.059 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.871 -15.965 4.046 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.080 -14.256 3.721 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.875 -14.752 1.299 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.386 -17.479 3.496 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -31.096 -18.502 2.243 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.804 -16.079 -0.296 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.331 -17.715 0.111 1.00 20.00 H new ATOM 553 N ALA A 27 -25.006 -16.014 3.325 1.00 20.00 N ATOM 554 CA ALA A 27 -24.384 -17.165 2.696 1.00 20.00 C ATOM 555 C ALA A 27 -23.082 -17.507 3.400 1.00 20.00 C ATOM 556 O ALA A 27 -22.833 -18.658 3.738 1.00 20.00 O ATOM 557 CB ALA A 27 -24.139 -16.901 1.219 1.00 20.00 C ATOM 0 H ALA A 27 -24.994 -15.166 2.758 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.060 -18.015 2.782 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.672 -17.775 0.766 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.088 -16.698 0.723 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.480 -16.040 1.108 1.00 20.00 H new ATOM 563 N LYS A 28 -22.265 -16.495 3.642 1.00 20.00 N ATOM 564 CA LYS A 28 -20.985 -16.692 4.306 1.00 20.00 C ATOM 565 C LYS A 28 -21.197 -17.143 5.747 1.00 20.00 C ATOM 566 O LYS A 28 -20.480 -18.012 6.249 1.00 20.00 O ATOM 567 CB LYS A 28 -20.153 -15.405 4.264 1.00 20.00 C ATOM 568 CG LYS A 28 -18.780 -15.543 4.906 1.00 20.00 C ATOM 569 CD LYS A 28 -17.919 -14.312 4.664 1.00 20.00 C ATOM 570 CE LYS A 28 -17.643 -14.093 3.181 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.682 -12.982 2.956 1.00 20.00 N ATOM 0 H LYS A 28 -22.465 -15.527 3.389 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.438 -17.472 3.776 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.030 -15.096 3.226 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.703 -14.611 4.769 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -18.894 -15.702 5.978 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.277 -16.423 4.505 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.418 -13.434 5.074 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -16.974 -14.419 5.197 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.246 -15.010 2.746 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.578 -13.874 2.666 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.520 -12.864 1.935 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.071 -12.101 3.349 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -15.781 -13.202 3.426 1.00 20.00 H new ATOM 585 N VAL A 29 -22.200 -16.559 6.391 1.00 20.00 N ATOM 586 CA VAL A 29 -22.550 -16.905 7.763 1.00 20.00 C ATOM 587 C VAL A 29 -22.934 -18.379 7.888 1.00 20.00 C ATOM 588 O VAL A 29 -22.498 -19.068 8.813 1.00 20.00 O ATOM 589 CB VAL A 29 -23.714 -16.027 8.280 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.190 -16.496 9.647 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.299 -14.566 8.338 1.00 20.00 C ATOM 0 H VAL A 29 -22.791 -15.836 5.980 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.665 -16.720 8.372 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.543 -16.126 7.579 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.008 -15.860 9.985 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.536 -17.527 9.578 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.367 -16.437 10.359 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.132 -13.965 8.704 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.449 -14.456 9.011 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.019 -14.228 7.341 1.00 20.00 H new ATOM 601 N ALA A 30 -23.738 -18.861 6.951 1.00 20.00 N ATOM 602 CA ALA A 30 -24.232 -20.227 7.011 1.00 20.00 C ATOM 603 C ALA A 30 -23.442 -21.153 6.087 1.00 20.00 C ATOM 604 O ALA A 30 -22.564 -21.885 6.539 1.00 20.00 O ATOM 605 CB ALA A 30 -25.716 -20.267 6.682 1.00 20.00 C ATOM 0 H ALA A 30 -24.061 -18.328 6.143 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.091 -20.590 8.029 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -26.072 -21.296 6.731 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.265 -19.659 7.401 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.877 -19.875 5.678 1.00 20.00 H new ATOM 611 N THR A 31 -23.751 -21.118 4.797 1.00 20.00 N ATOM 612 CA THR A 31 -23.066 -21.952 3.816 1.00 20.00 C ATOM 613 C THR A 31 -23.073 -21.272 2.446 1.00 20.00 C ATOM 614 O THR A 31 -24.138 -21.016 1.880 1.00 20.00 O ATOM 615 CB THR A 31 -23.732 -23.340 3.703 1.00 20.00 C ATOM 616 OG1 THR A 31 -23.795 -23.960 4.995 1.00 20.00 O ATOM 617 CG2 THR A 31 -22.966 -24.239 2.749 1.00 20.00 C ATOM 0 H THR A 31 -24.476 -20.518 4.404 1.00 20.00 H new ATOM 0 HA THR A 31 -22.038 -22.085 4.152 1.00 20.00 H new ATOM 0 HB THR A 31 -24.740 -23.199 3.313 1.00 20.00 H new ATOM 0 HG1 THR A 31 -24.220 -24.839 4.915 1.00 20.00 H new ATOM 0 HG21 THR A 31 -23.458 -25.210 2.689 1.00 20.00 H new ATOM 0 HG22 THR A 31 -22.942 -23.783 1.759 1.00 20.00 H new ATOM 0 HG23 THR A 31 -21.947 -24.371 3.112 1.00 20.00 H new ATOM 625 N SER A 32 -21.892 -20.975 1.919 1.00 20.00 N ATOM 626 CA SER A 32 -21.777 -20.271 0.644 1.00 20.00 C ATOM 627 C SER A 32 -21.776 -21.257 -0.522 1.00 20.00 C ATOM 628 O SER A 32 -21.044 -21.092 -1.497 1.00 20.00 O ATOM 629 CB SER A 32 -20.502 -19.425 0.629 1.00 20.00 C ATOM 630 OG SER A 32 -20.441 -18.594 1.774 1.00 20.00 O ATOM 0 H SER A 32 -20.999 -21.210 2.353 1.00 20.00 H new ATOM 0 HA SER A 32 -22.640 -19.614 0.531 1.00 20.00 H new ATOM 0 HB2 SER A 32 -19.628 -20.076 0.598 1.00 20.00 H new ATOM 0 HB3 SER A 32 -20.476 -18.813 -0.273 1.00 20.00 H new ATOM 0 HG SER A 32 -19.619 -18.062 1.748 1.00 20.00 H new ATOM 636 N LEU A 33 -22.611 -22.277 -0.412 1.00 20.00 N ATOM 637 CA LEU A 33 -22.702 -23.314 -1.423 1.00 20.00 C ATOM 638 C LEU A 33 -24.024 -24.054 -1.279 1.00 20.00 C ATOM 639 O LEU A 33 -24.464 -24.340 -0.164 1.00 20.00 O ATOM 640 CB LEU A 33 -21.531 -24.294 -1.281 1.00 20.00 C ATOM 641 CG LEU A 33 -21.475 -25.426 -2.314 1.00 20.00 C ATOM 642 CD1 LEU A 33 -21.290 -24.874 -3.721 1.00 20.00 C ATOM 643 CD2 LEU A 33 -20.358 -26.398 -1.972 1.00 20.00 C ATOM 0 H LEU A 33 -23.242 -22.408 0.378 1.00 20.00 H new ATOM 0 HA LEU A 33 -22.655 -22.855 -2.411 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -20.601 -23.729 -1.339 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -21.573 -24.738 -0.286 1.00 20.00 H new ATOM 0 HG LEU A 33 -22.425 -25.960 -2.285 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -21.254 -25.698 -4.433 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -22.125 -24.218 -3.967 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -20.359 -24.310 -3.771 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -20.330 -27.196 -2.714 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -19.404 -25.870 -1.971 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -20.537 -26.826 -0.986 1.00 20.00 H new ATOM 655 N ALA A 34 -24.666 -24.338 -2.399 1.00 20.00 N ATOM 656 CA ALA A 34 -25.904 -25.095 -2.393 1.00 20.00 C ATOM 657 C ALA A 34 -25.611 -26.581 -2.211 1.00 20.00 C ATOM 658 O ALA A 34 -25.303 -27.285 -3.173 1.00 20.00 O ATOM 659 CB ALA A 34 -26.683 -24.845 -3.675 1.00 20.00 C ATOM 0 H ALA A 34 -24.349 -24.055 -3.326 1.00 20.00 H new ATOM 0 HA ALA A 34 -26.517 -24.763 -1.555 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -27.609 -25.420 -3.656 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -26.916 -23.783 -3.758 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -26.083 -25.153 -4.531 1.00 20.00 H new ATOM 665 N ASP A 35 -25.692 -27.040 -0.970 1.00 20.00 N ATOM 666 CA ASP A 35 -25.375 -28.423 -0.632 1.00 20.00 C ATOM 667 C ASP A 35 -26.427 -29.375 -1.195 1.00 20.00 C ATOM 668 O ASP A 35 -27.627 -29.102 -1.138 1.00 20.00 O ATOM 669 CB ASP A 35 -25.253 -28.591 0.889 1.00 20.00 C ATOM 670 CG ASP A 35 -26.552 -28.333 1.630 1.00 20.00 C ATOM 671 OD1 ASP A 35 -27.172 -27.267 1.409 1.00 20.00 O ATOM 672 OD2 ASP A 35 -26.954 -29.188 2.448 1.00 20.00 O ATOM 0 H ASP A 35 -25.977 -26.470 -0.173 1.00 20.00 H new ATOM 0 HA ASP A 35 -24.415 -28.673 -1.085 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -24.913 -29.603 1.109 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -24.489 -27.909 1.262 1.00 20.00 H new ATOM 677 N PRO A 36 -25.977 -30.499 -1.769 1.00 20.00 N ATOM 678 CA PRO A 36 -26.862 -31.483 -2.394 1.00 20.00 C ATOM 679 C PRO A 36 -27.590 -32.358 -1.378 1.00 20.00 C ATOM 680 O PRO A 36 -27.074 -33.395 -0.956 1.00 20.00 O ATOM 681 CB PRO A 36 -25.902 -32.326 -3.232 1.00 20.00 C ATOM 682 CG PRO A 36 -24.603 -32.252 -2.506 1.00 20.00 C ATOM 683 CD PRO A 36 -24.558 -30.893 -1.861 1.00 20.00 C ATOM 0 HA PRO A 36 -27.657 -31.006 -2.967 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -26.250 -33.355 -3.317 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -25.812 -31.935 -4.245 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -24.530 -33.041 -1.757 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -23.766 -32.385 -3.191 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -24.089 -30.932 -0.878 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -23.984 -30.185 -2.459 1.00 20.00 H new ATOM 691 N ARG A 37 -28.788 -31.923 -0.998 1.00 20.00 N ATOM 692 CA ARG A 37 -29.664 -32.690 -0.114 1.00 20.00 C ATOM 693 C ARG A 37 -29.042 -32.899 1.267 1.00 20.00 C ATOM 694 O ARG A 37 -28.297 -33.861 1.478 1.00 20.00 O ATOM 695 CB ARG A 37 -30.002 -34.048 -0.743 1.00 20.00 C ATOM 696 CG ARG A 37 -30.883 -34.930 0.131 1.00 20.00 C ATOM 697 CD ARG A 37 -30.977 -36.341 -0.421 1.00 20.00 C ATOM 698 NE ARG A 37 -29.667 -36.991 -0.479 1.00 20.00 N ATOM 699 CZ ARG A 37 -29.481 -38.277 -0.769 1.00 20.00 C ATOM 700 NH1 ARG A 37 -30.519 -39.061 -1.030 1.00 20.00 N ATOM 701 NH2 ARG A 37 -28.251 -38.774 -0.796 1.00 20.00 N ATOM 0 H ARG A 37 -29.180 -31.029 -1.294 1.00 20.00 H new ATOM 0 HA ARG A 37 -30.579 -32.111 0.016 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -30.504 -33.881 -1.696 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -29.075 -34.578 -0.959 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -30.480 -34.960 1.143 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -31.881 -34.497 0.198 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -31.648 -36.931 0.203 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -31.413 -36.312 -1.420 1.00 20.00 H new ATOM 0 HE ARG A 37 -28.843 -36.422 -0.285 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -31.465 -38.679 -1.009 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -30.371 -40.046 -1.252 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -27.453 -38.171 -0.595 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -28.104 -39.759 -1.018 1.00 20.00 H new ATOM 715 N PRO A 38 -29.313 -31.992 2.224 1.00 20.00 N ATOM 716 CA PRO A 38 -28.949 -32.204 3.626 1.00 20.00 C ATOM 717 C PRO A 38 -29.430 -33.570 4.111 1.00 20.00 C ATOM 718 O PRO A 38 -30.541 -33.994 3.782 1.00 20.00 O ATOM 719 CB PRO A 38 -29.668 -31.072 4.380 1.00 20.00 C ATOM 720 CG PRO A 38 -30.536 -30.386 3.374 1.00 20.00 C ATOM 721 CD PRO A 38 -29.951 -30.687 2.022 1.00 20.00 C ATOM 0 HA PRO A 38 -27.870 -32.190 3.783 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -30.264 -31.469 5.202 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -28.950 -30.376 4.814 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -31.563 -30.745 3.440 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -30.562 -29.311 3.554 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -30.719 -30.728 1.250 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -29.231 -29.928 1.715 1.00 20.00 H new ATOM 729 N ALA A 39 -28.580 -34.252 4.870 1.00 20.00 N ATOM 730 CA ALA A 39 -28.840 -35.618 5.309 1.00 20.00 C ATOM 731 C ALA A 39 -30.184 -35.750 6.016 1.00 20.00 C ATOM 732 O ALA A 39 -30.377 -35.249 7.127 1.00 20.00 O ATOM 733 CB ALA A 39 -27.719 -36.099 6.210 1.00 20.00 C ATOM 0 H ALA A 39 -27.691 -33.874 5.198 1.00 20.00 H new ATOM 0 HA ALA A 39 -28.882 -36.245 4.418 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -27.924 -37.120 6.532 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -26.776 -36.073 5.663 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -27.650 -35.450 7.083 1.00 20.00 H new ATOM 739 N ILE A 40 -31.101 -36.437 5.354 1.00 20.00 N ATOM 740 CA ILE A 40 -32.445 -36.643 5.865 1.00 20.00 C ATOM 741 C ILE A 40 -32.492 -37.902 6.726 1.00 20.00 C ATOM 742 O ILE A 40 -32.073 -38.973 6.282 1.00 20.00 O ATOM 743 CB ILE A 40 -33.456 -36.795 4.704 1.00 20.00 C ATOM 744 CG1 ILE A 40 -33.326 -35.634 3.715 1.00 20.00 C ATOM 745 CG2 ILE A 40 -34.878 -36.874 5.239 1.00 20.00 C ATOM 746 CD1 ILE A 40 -34.194 -35.789 2.486 1.00 20.00 C ATOM 0 H ILE A 40 -30.933 -36.868 4.445 1.00 20.00 H new ATOM 0 HA ILE A 40 -32.713 -35.773 6.464 1.00 20.00 H new ATOM 0 HB ILE A 40 -33.230 -37.723 4.178 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -33.589 -34.705 4.221 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -32.285 -35.545 3.406 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -35.574 -36.981 4.407 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -34.970 -37.734 5.902 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -35.110 -35.964 5.792 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -34.051 -34.931 1.829 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -33.916 -36.701 1.957 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -35.241 -35.847 2.785 1.00 20.00 H new ATOM 758 N PRO A 41 -32.977 -37.789 7.975 1.00 20.00 N ATOM 759 CA PRO A 41 -33.178 -38.948 8.849 1.00 20.00 C ATOM 760 C PRO A 41 -33.991 -40.031 8.143 1.00 20.00 C ATOM 761 O PRO A 41 -35.013 -39.739 7.529 1.00 20.00 O ATOM 762 CB PRO A 41 -33.967 -38.377 10.031 1.00 20.00 C ATOM 763 CG PRO A 41 -33.640 -36.923 10.053 1.00 20.00 C ATOM 764 CD PRO A 41 -33.363 -36.524 8.626 1.00 20.00 C ATOM 0 HA PRO A 41 -32.239 -39.417 9.145 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -35.038 -38.538 9.904 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -33.680 -38.859 10.966 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -34.468 -36.345 10.463 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -32.773 -36.730 10.685 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -34.243 -36.084 8.156 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -32.566 -35.783 8.565 1.00 20.00 H new ATOM 772 N HIS A 42 -33.540 -41.279 8.243 1.00 20.00 N ATOM 773 CA HIS A 42 -34.107 -42.372 7.454 1.00 20.00 C ATOM 774 C HIS A 42 -35.572 -42.632 7.780 1.00 20.00 C ATOM 775 O HIS A 42 -36.306 -43.165 6.950 1.00 20.00 O ATOM 776 CB HIS A 42 -33.288 -43.652 7.622 1.00 20.00 C ATOM 777 CG HIS A 42 -32.057 -43.680 6.769 1.00 20.00 C ATOM 778 ND1 HIS A 42 -32.062 -44.127 5.466 1.00 20.00 N ATOM 779 CD2 HIS A 42 -30.783 -43.298 7.027 1.00 20.00 C ATOM 780 CE1 HIS A 42 -30.850 -44.019 4.961 1.00 20.00 C ATOM 781 NE2 HIS A 42 -30.055 -43.518 5.886 1.00 20.00 N ATOM 0 H HIS A 42 -32.781 -41.560 8.864 1.00 20.00 H new ATOM 0 HA HIS A 42 -34.061 -42.057 6.411 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -33.000 -43.757 8.668 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -33.913 -44.511 7.376 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -30.410 -42.895 7.957 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -30.557 -44.294 3.959 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -29.060 -43.325 5.771 1.00 20.00 H new ATOM 790 N ASP A 43 -36.000 -42.251 8.972 1.00 20.00 N ATOM 791 CA ASP A 43 -37.405 -42.381 9.347 1.00 20.00 C ATOM 792 C ASP A 43 -38.218 -41.260 8.711 1.00 20.00 C ATOM 793 O ASP A 43 -39.378 -41.440 8.339 1.00 20.00 O ATOM 794 CB ASP A 43 -37.564 -42.351 10.869 1.00 20.00 C ATOM 795 CG ASP A 43 -39.007 -42.495 11.309 1.00 20.00 C ATOM 796 OD1 ASP A 43 -39.509 -43.638 11.357 1.00 20.00 O ATOM 797 OD2 ASP A 43 -39.643 -41.468 11.624 1.00 20.00 O ATOM 0 H ASP A 43 -35.402 -41.851 9.695 1.00 20.00 H new ATOM 0 HA ASP A 43 -37.774 -43.340 8.983 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -36.973 -43.155 11.308 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -37.163 -41.413 11.254 1.00 20.00 H new ATOM 802 N GLU A 44 -37.578 -40.110 8.556 1.00 20.00 N ATOM 803 CA GLU A 44 -38.221 -38.936 7.987 1.00 20.00 C ATOM 804 C GLU A 44 -38.224 -39.018 6.461 1.00 20.00 C ATOM 805 O GLU A 44 -39.068 -38.416 5.796 1.00 20.00 O ATOM 806 CB GLU A 44 -37.505 -37.668 8.470 1.00 20.00 C ATOM 807 CG GLU A 44 -38.066 -36.377 7.898 1.00 20.00 C ATOM 808 CD GLU A 44 -37.386 -35.149 8.464 1.00 20.00 C ATOM 809 OE1 GLU A 44 -36.342 -34.731 7.921 1.00 20.00 O ATOM 810 OE2 GLU A 44 -37.896 -34.590 9.460 1.00 20.00 O ATOM 0 H GLU A 44 -36.603 -39.965 8.820 1.00 20.00 H new ATOM 0 HA GLU A 44 -39.258 -38.897 8.321 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -37.562 -37.625 9.558 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -36.449 -37.739 8.209 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -37.953 -36.384 6.814 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -39.135 -36.325 8.106 1.00 20.00 H new ATOM 817 N VAL A 45 -37.283 -39.783 5.912 1.00 20.00 N ATOM 818 CA VAL A 45 -37.218 -40.019 4.472 1.00 20.00 C ATOM 819 C VAL A 45 -38.534 -40.589 3.958 1.00 20.00 C ATOM 820 O VAL A 45 -38.982 -40.247 2.871 1.00 20.00 O ATOM 821 CB VAL A 45 -36.065 -40.979 4.097 1.00 20.00 C ATOM 822 CG1 VAL A 45 -36.115 -41.344 2.621 1.00 20.00 C ATOM 823 CG2 VAL A 45 -34.724 -40.353 4.432 1.00 20.00 C ATOM 0 H VAL A 45 -36.552 -40.252 6.446 1.00 20.00 H new ATOM 0 HA VAL A 45 -37.029 -39.054 4.002 1.00 20.00 H new ATOM 0 HB VAL A 45 -36.186 -41.892 4.680 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -35.293 -42.020 2.385 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -37.063 -41.834 2.399 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -36.025 -40.440 2.019 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -33.923 -41.042 4.162 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -34.607 -39.424 3.875 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -34.677 -40.143 5.501 1.00 20.00 H new ATOM 833 N GLU A 46 -39.161 -41.437 4.765 1.00 20.00 N ATOM 834 CA GLU A 46 -40.441 -42.040 4.402 1.00 20.00 C ATOM 835 C GLU A 46 -41.495 -40.961 4.159 1.00 20.00 C ATOM 836 O GLU A 46 -42.371 -41.107 3.307 1.00 20.00 O ATOM 837 CB GLU A 46 -40.911 -42.997 5.501 1.00 20.00 C ATOM 838 CG GLU A 46 -42.112 -43.838 5.106 1.00 20.00 C ATOM 839 CD GLU A 46 -42.513 -44.819 6.186 1.00 20.00 C ATOM 840 OE1 GLU A 46 -41.736 -45.751 6.468 1.00 20.00 O ATOM 841 OE2 GLU A 46 -43.611 -44.663 6.759 1.00 20.00 O ATOM 0 H GLU A 46 -38.804 -41.724 5.677 1.00 20.00 H new ATOM 0 HA GLU A 46 -40.303 -42.604 3.480 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -40.088 -43.659 5.770 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -41.160 -42.419 6.391 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -42.954 -43.182 4.885 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -41.884 -44.384 4.190 1.00 20.00 H new ATOM 848 N ARG A 47 -41.396 -39.872 4.907 1.00 20.00 N ATOM 849 CA ARG A 47 -42.312 -38.752 4.757 1.00 20.00 C ATOM 850 C ARG A 47 -41.853 -37.820 3.641 1.00 20.00 C ATOM 851 O ARG A 47 -42.659 -37.336 2.847 1.00 20.00 O ATOM 852 CB ARG A 47 -42.431 -37.977 6.072 1.00 20.00 C ATOM 853 CG ARG A 47 -43.164 -38.729 7.176 1.00 20.00 C ATOM 854 CD ARG A 47 -44.635 -38.955 6.836 1.00 20.00 C ATOM 855 NE ARG A 47 -44.819 -39.948 5.774 1.00 20.00 N ATOM 856 CZ ARG A 47 -45.616 -39.778 4.718 1.00 20.00 C ATOM 857 NH1 ARG A 47 -46.280 -38.642 4.552 1.00 20.00 N ATOM 858 NH2 ARG A 47 -45.737 -40.739 3.813 1.00 20.00 N ATOM 0 H ARG A 47 -40.686 -39.740 5.628 1.00 20.00 H new ATOM 0 HA ARG A 47 -43.291 -39.151 4.493 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -41.431 -37.723 6.423 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -42.950 -37.038 5.881 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -42.679 -39.691 7.343 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -43.089 -38.168 8.108 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -45.165 -39.282 7.730 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -45.083 -38.010 6.527 1.00 20.00 H new ATOM 0 HE ARG A 47 -44.304 -40.826 5.847 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -46.183 -37.890 5.235 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -46.887 -38.520 3.742 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -45.220 -41.611 3.923 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -46.347 -40.606 3.007 1.00 20.00 H new ATOM 872 N ARG A 48 -40.550 -37.587 3.577 1.00 20.00 N ATOM 873 CA ARG A 48 -39.980 -36.654 2.611 1.00 20.00 C ATOM 874 C ARG A 48 -39.982 -37.250 1.203 1.00 20.00 C ATOM 875 O ARG A 48 -39.911 -36.525 0.210 1.00 20.00 O ATOM 876 CB ARG A 48 -38.554 -36.280 3.029 1.00 20.00 C ATOM 877 CG ARG A 48 -38.001 -35.053 2.318 1.00 20.00 C ATOM 878 CD ARG A 48 -38.842 -33.819 2.609 1.00 20.00 C ATOM 879 NE ARG A 48 -38.254 -32.607 2.049 1.00 20.00 N ATOM 880 CZ ARG A 48 -38.847 -31.413 2.077 1.00 20.00 C ATOM 881 NH1 ARG A 48 -40.048 -31.277 2.627 1.00 20.00 N ATOM 882 NH2 ARG A 48 -38.230 -30.356 1.566 1.00 20.00 N ATOM 0 H ARG A 48 -39.863 -38.033 4.185 1.00 20.00 H new ATOM 0 HA ARG A 48 -40.596 -35.755 2.595 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -38.537 -36.103 4.104 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -37.896 -37.127 2.835 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -36.973 -34.878 2.636 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -37.976 -35.233 1.243 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -39.842 -33.958 2.199 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -38.952 -33.703 3.687 1.00 20.00 H new ATOM 0 HE ARG A 48 -37.336 -32.677 1.610 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -40.519 -32.087 3.029 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -40.499 -30.362 2.647 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -37.303 -30.457 1.152 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -38.682 -29.442 1.587 1.00 20.00 H new ATOM 896 N MET A 49 -40.070 -38.573 1.123 1.00 20.00 N ATOM 897 CA MET A 49 -40.092 -39.273 -0.157 1.00 20.00 C ATOM 898 C MET A 49 -41.326 -38.886 -0.961 1.00 20.00 C ATOM 899 O MET A 49 -41.303 -38.881 -2.190 1.00 20.00 O ATOM 900 CB MET A 49 -40.060 -40.787 0.058 1.00 20.00 C ATOM 901 CG MET A 49 -39.908 -41.581 -1.230 1.00 20.00 C ATOM 902 SD MET A 49 -38.391 -41.181 -2.124 1.00 20.00 S ATOM 903 CE MET A 49 -37.145 -41.740 -0.964 1.00 20.00 C ATOM 0 H MET A 49 -40.128 -39.187 1.936 1.00 20.00 H new ATOM 0 HA MET A 49 -39.205 -38.980 -0.718 1.00 20.00 H new ATOM 0 HB2 MET A 49 -39.235 -41.033 0.727 1.00 20.00 H new ATOM 0 HB3 MET A 49 -40.978 -41.094 0.558 1.00 20.00 H new ATOM 0 HG2 MET A 49 -39.918 -42.646 -0.998 1.00 20.00 H new ATOM 0 HG3 MET A 49 -40.766 -41.387 -1.874 1.00 20.00 H new ATOM 0 HE1 MET A 49 -36.185 -41.826 -1.474 1.00 20.00 H new ATOM 0 HE2 MET A 49 -37.059 -41.022 -0.148 1.00 20.00 H new ATOM 0 HE3 MET A 49 -37.431 -42.712 -0.563 1.00 20.00 H new ATOM 913 N ALA A 50 -42.395 -38.536 -0.256 1.00 20.00 N ATOM 914 CA ALA A 50 -43.622 -38.079 -0.894 1.00 20.00 C ATOM 915 C ALA A 50 -43.369 -36.813 -1.701 1.00 20.00 C ATOM 916 O ALA A 50 -44.096 -36.499 -2.641 1.00 20.00 O ATOM 917 CB ALA A 50 -44.695 -37.829 0.151 1.00 20.00 C ATOM 0 H ALA A 50 -42.436 -38.560 0.763 1.00 20.00 H new ATOM 0 HA ALA A 50 -43.967 -38.858 -1.574 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -45.607 -37.488 -0.339 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -44.898 -38.753 0.693 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -44.351 -37.067 0.850 1.00 20.00 H new ATOM 923 N GLU A 51 -42.348 -36.075 -1.304 1.00 20.00 N ATOM 924 CA GLU A 51 -41.930 -34.887 -2.027 1.00 20.00 C ATOM 925 C GLU A 51 -40.852 -35.221 -3.057 1.00 20.00 C ATOM 926 O GLU A 51 -40.804 -34.638 -4.139 1.00 20.00 O ATOM 927 CB GLU A 51 -41.417 -33.837 -1.045 1.00 20.00 C ATOM 928 CG GLU A 51 -42.484 -33.334 -0.086 1.00 20.00 C ATOM 929 CD GLU A 51 -43.618 -32.633 -0.802 1.00 20.00 C ATOM 930 OE1 GLU A 51 -43.442 -31.459 -1.188 1.00 20.00 O ATOM 931 OE2 GLU A 51 -44.692 -33.252 -0.988 1.00 20.00 O ATOM 0 H GLU A 51 -41.788 -36.280 -0.477 1.00 20.00 H new ATOM 0 HA GLU A 51 -42.792 -34.488 -2.561 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -40.593 -34.260 -0.470 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -41.015 -32.993 -1.605 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -42.882 -34.174 0.484 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -42.031 -32.649 0.630 1.00 20.00 H new ATOM 938 N ARG A 52 -39.999 -36.179 -2.721 1.00 20.00 N ATOM 939 CA ARG A 52 -38.827 -36.491 -3.534 1.00 20.00 C ATOM 940 C ARG A 52 -39.151 -37.405 -4.712 1.00 20.00 C ATOM 941 O ARG A 52 -38.374 -37.485 -5.663 1.00 20.00 O ATOM 942 CB ARG A 52 -37.737 -37.131 -2.674 1.00 20.00 C ATOM 943 CG ARG A 52 -37.088 -36.180 -1.676 1.00 20.00 C ATOM 944 CD ARG A 52 -36.290 -35.081 -2.370 1.00 20.00 C ATOM 945 NE ARG A 52 -37.141 -34.040 -2.956 1.00 20.00 N ATOM 946 CZ ARG A 52 -36.742 -33.208 -3.922 1.00 20.00 C ATOM 947 NH1 ARG A 52 -35.503 -33.275 -4.389 1.00 20.00 N ATOM 948 NH2 ARG A 52 -37.576 -32.299 -4.407 1.00 20.00 N ATOM 0 H ARG A 52 -40.096 -36.758 -1.887 1.00 20.00 H new ATOM 0 HA ARG A 52 -38.472 -35.545 -3.943 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -38.167 -37.972 -2.130 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -36.965 -37.535 -3.328 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -37.859 -35.729 -1.051 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -36.430 -36.743 -1.014 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -35.609 -34.625 -1.651 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -35.676 -35.525 -3.154 1.00 20.00 H new ATOM 0 HE ARG A 52 -38.094 -33.946 -2.605 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -34.852 -33.963 -4.011 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -35.201 -32.639 -5.127 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.526 -32.233 -4.043 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -37.267 -31.666 -5.145 1.00 20.00 H new ATOM 962 N PHE A 53 -40.293 -38.084 -4.662 1.00 20.00 N ATOM 963 CA PHE A 53 -40.684 -38.994 -5.740 1.00 20.00 C ATOM 964 C PHE A 53 -40.881 -38.226 -7.047 1.00 20.00 C ATOM 965 O PHE A 53 -40.875 -38.804 -8.135 1.00 20.00 O ATOM 966 CB PHE A 53 -41.965 -39.760 -5.369 1.00 20.00 C ATOM 967 CG PHE A 53 -43.248 -39.104 -5.814 1.00 20.00 C ATOM 968 CD1 PHE A 53 -43.722 -37.960 -5.192 1.00 20.00 C ATOM 969 CD2 PHE A 53 -43.983 -39.642 -6.861 1.00 20.00 C ATOM 970 CE1 PHE A 53 -44.900 -37.367 -5.605 1.00 20.00 C ATOM 971 CE2 PHE A 53 -45.162 -39.054 -7.276 1.00 20.00 C ATOM 972 CZ PHE A 53 -45.620 -37.914 -6.648 1.00 20.00 C ATOM 0 H PHE A 53 -40.961 -38.024 -3.894 1.00 20.00 H new ATOM 0 HA PHE A 53 -39.881 -39.717 -5.882 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -41.914 -40.758 -5.805 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -41.995 -39.886 -4.287 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -43.164 -37.527 -4.375 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -43.628 -40.533 -7.358 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -45.257 -36.475 -5.112 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -45.724 -39.486 -8.091 1.00 20.00 H new ATOM 0 HZ PHE A 53 -46.540 -37.450 -6.972 1.00 20.00 H new ATOM 982 N ALA A 54 -41.034 -36.913 -6.920 1.00 20.00 N ATOM 983 CA ALA A 54 -41.226 -36.031 -8.062 1.00 20.00 C ATOM 984 C ALA A 54 -39.971 -35.953 -8.930 1.00 20.00 C ATOM 985 O ALA A 54 -39.999 -35.394 -10.025 1.00 20.00 O ATOM 986 CB ALA A 54 -41.619 -34.644 -7.581 1.00 20.00 C ATOM 0 H ALA A 54 -41.028 -36.431 -6.021 1.00 20.00 H new ATOM 0 HA ALA A 54 -42.027 -36.443 -8.676 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -41.761 -33.988 -8.440 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -42.547 -34.705 -7.013 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -40.830 -34.243 -6.945 1.00 20.00 H new ATOM 992 N LYS A 55 -38.868 -36.501 -8.436 1.00 20.00 N ATOM 993 CA LYS A 55 -37.633 -36.548 -9.206 1.00 20.00 C ATOM 994 C LYS A 55 -37.681 -37.680 -10.222 1.00 20.00 C ATOM 995 O LYS A 55 -37.015 -37.627 -11.255 1.00 20.00 O ATOM 996 CB LYS A 55 -36.419 -36.747 -8.295 1.00 20.00 C ATOM 997 CG LYS A 55 -36.231 -35.662 -7.245 1.00 20.00 C ATOM 998 CD LYS A 55 -34.897 -35.814 -6.529 1.00 20.00 C ATOM 999 CE LYS A 55 -34.793 -37.147 -5.801 1.00 20.00 C ATOM 1000 NZ LYS A 55 -33.435 -37.367 -5.233 1.00 20.00 N ATOM 0 H LYS A 55 -38.804 -36.918 -7.507 1.00 20.00 H new ATOM 0 HA LYS A 55 -37.535 -35.594 -9.723 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -36.513 -37.709 -7.792 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -35.522 -36.796 -8.912 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -36.283 -34.681 -7.718 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -37.043 -35.709 -6.520 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -34.085 -35.731 -7.252 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -34.773 -35.000 -5.815 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -35.531 -37.181 -5.000 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -35.033 -37.956 -6.490 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -33.407 -38.285 -4.746 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -32.733 -37.360 -6.000 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -33.215 -36.609 -4.556 1.00 20.00 H new ATOM 1014 N MET A 56 -38.495 -38.690 -9.934 1.00 20.00 N ATOM 1015 CA MET A 56 -38.523 -39.912 -10.734 1.00 20.00 C ATOM 1016 C MET A 56 -39.103 -39.663 -12.126 1.00 20.00 C ATOM 1017 O MET A 56 -38.839 -40.416 -13.064 1.00 20.00 O ATOM 1018 CB MET A 56 -39.318 -41.006 -10.010 1.00 20.00 C ATOM 1019 CG MET A 56 -39.254 -42.367 -10.690 1.00 20.00 C ATOM 1020 SD MET A 56 -40.153 -43.643 -9.785 1.00 20.00 S ATOM 1021 CE MET A 56 -39.816 -45.075 -10.807 1.00 20.00 C ATOM 0 H MET A 56 -39.147 -38.687 -9.150 1.00 20.00 H new ATOM 0 HA MET A 56 -37.494 -40.247 -10.862 1.00 20.00 H new ATOM 0 HB2 MET A 56 -38.941 -41.101 -8.992 1.00 20.00 H new ATOM 0 HB3 MET A 56 -40.360 -40.696 -9.937 1.00 20.00 H new ATOM 0 HG2 MET A 56 -39.664 -42.285 -11.697 1.00 20.00 H new ATOM 0 HG3 MET A 56 -38.211 -42.668 -10.794 1.00 20.00 H new ATOM 0 HE1 MET A 56 -40.305 -45.950 -10.379 1.00 20.00 H new ATOM 0 HE2 MET A 56 -40.197 -44.902 -11.813 1.00 20.00 H new ATOM 0 HE3 MET A 56 -38.740 -45.246 -10.851 1.00 20.00 H new ATOM 1031 N ARG A 57 -39.889 -38.602 -12.270 1.00 20.00 N ATOM 1032 CA ARG A 57 -40.435 -38.243 -13.574 1.00 20.00 C ATOM 1033 C ARG A 57 -39.359 -37.595 -14.442 1.00 20.00 C ATOM 1034 O ARG A 57 -39.493 -37.507 -15.662 1.00 20.00 O ATOM 1035 CB ARG A 57 -41.638 -37.304 -13.433 1.00 20.00 C ATOM 1036 CG ARG A 57 -41.318 -35.990 -12.740 1.00 20.00 C ATOM 1037 CD ARG A 57 -42.469 -35.004 -12.858 1.00 20.00 C ATOM 1038 NE ARG A 57 -42.693 -34.599 -14.245 1.00 20.00 N ATOM 1039 CZ ARG A 57 -43.583 -33.684 -14.623 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -44.365 -33.101 -13.727 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -43.689 -33.354 -15.903 1.00 20.00 N ATOM 0 H ARG A 57 -40.161 -37.981 -11.508 1.00 20.00 H new ATOM 0 HA ARG A 57 -40.776 -39.159 -14.057 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -42.039 -37.092 -14.424 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -42.422 -37.816 -12.875 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -41.103 -36.175 -11.688 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -40.419 -35.556 -13.178 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -43.377 -35.455 -12.459 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -42.258 -34.124 -12.251 1.00 20.00 H new ATOM 0 HE ARG A 57 -42.131 -35.046 -14.969 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -44.287 -33.352 -12.742 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -45.045 -32.401 -14.022 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -43.089 -33.801 -16.596 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -44.370 -32.653 -16.194 1.00 20.00 H new ATOM 1055 N LYS A 58 -38.288 -37.149 -13.799 1.00 20.00 N ATOM 1056 CA LYS A 58 -37.163 -36.552 -14.504 1.00 20.00 C ATOM 1057 C LYS A 58 -36.085 -37.602 -14.722 1.00 20.00 C ATOM 1058 O LYS A 58 -35.632 -37.826 -15.844 1.00 20.00 O ATOM 1059 CB LYS A 58 -36.586 -35.381 -13.702 1.00 20.00 C ATOM 1060 CG LYS A 58 -37.611 -34.320 -13.335 1.00 20.00 C ATOM 1061 CD LYS A 58 -37.027 -33.291 -12.379 1.00 20.00 C ATOM 1062 CE LYS A 58 -35.892 -32.504 -13.015 1.00 20.00 C ATOM 1063 NZ LYS A 58 -35.237 -31.590 -12.044 1.00 20.00 N ATOM 0 H LYS A 58 -38.175 -37.190 -12.786 1.00 20.00 H new ATOM 0 HA LYS A 58 -37.511 -36.177 -15.467 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -36.134 -35.767 -12.788 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -35.788 -34.916 -14.280 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -37.961 -33.822 -14.239 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -38.479 -34.794 -12.876 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -37.812 -32.604 -12.062 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -36.662 -33.794 -11.483 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -35.152 -33.196 -13.418 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -36.278 -31.925 -13.854 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -34.469 -31.073 -12.518 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -35.937 -30.913 -11.678 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -34.846 -32.144 -11.255 1.00 20.00 H new ATOM 1077 N GLU A 59 -35.694 -38.252 -13.636 1.00 20.00 N ATOM 1078 CA GLU A 59 -34.671 -39.282 -13.667 1.00 20.00 C ATOM 1079 C GLU A 59 -35.153 -40.514 -12.915 1.00 20.00 C ATOM 1080 O GLU A 59 -35.715 -40.402 -11.828 1.00 20.00 O ATOM 1081 CB GLU A 59 -33.372 -38.772 -13.039 1.00 20.00 C ATOM 1082 CG GLU A 59 -32.645 -37.728 -13.873 1.00 20.00 C ATOM 1083 CD GLU A 59 -32.133 -38.286 -15.187 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -31.532 -39.378 -15.177 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -32.314 -37.627 -16.231 1.00 20.00 O ATOM 0 H GLU A 59 -36.079 -38.078 -12.708 1.00 20.00 H new ATOM 0 HA GLU A 59 -34.477 -39.544 -14.707 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -33.597 -38.347 -12.061 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -32.705 -39.618 -12.874 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -33.319 -36.895 -14.074 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -31.807 -37.330 -13.300 1.00 20.00 H new ATOM 1092 N ARG A 60 -34.930 -41.683 -13.490 1.00 20.00 N ATOM 1093 CA ARG A 60 -35.344 -42.929 -12.862 1.00 20.00 C ATOM 1094 C ARG A 60 -34.160 -43.577 -12.160 1.00 20.00 C ATOM 1095 O ARG A 60 -34.209 -44.742 -11.763 1.00 20.00 O ATOM 1096 CB ARG A 60 -35.931 -43.881 -13.902 1.00 20.00 C ATOM 1097 CG ARG A 60 -37.138 -43.312 -14.626 1.00 20.00 C ATOM 1098 CD ARG A 60 -37.666 -44.280 -15.667 1.00 20.00 C ATOM 1099 NE ARG A 60 -38.819 -43.743 -16.383 1.00 20.00 N ATOM 1100 CZ ARG A 60 -39.587 -44.468 -17.192 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -39.320 -45.752 -17.388 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -40.617 -43.909 -17.809 1.00 20.00 N ATOM 0 H ARG A 60 -34.465 -41.797 -14.391 1.00 20.00 H new ATOM 0 HA ARG A 60 -36.114 -42.710 -12.123 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -35.161 -44.128 -14.633 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -36.216 -44.812 -13.412 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -37.924 -43.087 -13.905 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -36.866 -42.372 -15.106 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -36.874 -44.513 -16.379 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -37.945 -45.216 -15.183 1.00 20.00 H new ATOM 0 HE ARG A 60 -39.049 -42.757 -16.256 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -38.525 -46.185 -16.918 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -39.910 -46.307 -18.009 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -40.823 -42.921 -17.664 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -41.204 -44.467 -18.429 1.00 20.00 H new ATOM 1116 N SER A 61 -33.098 -42.805 -11.998 1.00 20.00 N ATOM 1117 CA SER A 61 -31.883 -43.285 -11.370 1.00 20.00 C ATOM 1118 C SER A 61 -32.004 -43.267 -9.846 1.00 20.00 C ATOM 1119 O SER A 61 -31.282 -42.544 -9.156 1.00 20.00 O ATOM 1120 CB SER A 61 -30.703 -42.435 -11.834 1.00 20.00 C ATOM 1121 OG SER A 61 -31.046 -41.058 -11.844 1.00 20.00 O ATOM 0 H SER A 61 -33.056 -41.831 -12.298 1.00 20.00 H new ATOM 0 HA SER A 61 -31.717 -44.320 -11.669 1.00 20.00 H new ATOM 0 HB2 SER A 61 -29.851 -42.597 -11.174 1.00 20.00 H new ATOM 0 HB3 SER A 61 -30.396 -42.745 -12.833 1.00 20.00 H new ATOM 0 HG SER A 61 -30.276 -40.531 -12.143 1.00 20.00 H new ATOM 1127 N LYS A 62 -32.931 -44.060 -9.324 1.00 20.00 N ATOM 1128 CA LYS A 62 -33.106 -44.174 -7.886 1.00 20.00 C ATOM 1129 C LYS A 62 -32.183 -45.258 -7.341 1.00 20.00 C ATOM 1130 O LYS A 62 -32.076 -45.462 -6.134 1.00 20.00 O ATOM 1131 CB LYS A 62 -34.564 -44.490 -7.541 1.00 20.00 C ATOM 1132 CG LYS A 62 -34.903 -44.257 -6.076 1.00 20.00 C ATOM 1133 CD LYS A 62 -36.327 -44.673 -5.749 1.00 20.00 C ATOM 1134 CE LYS A 62 -36.510 -46.178 -5.869 1.00 20.00 C ATOM 1135 NZ LYS A 62 -37.871 -46.602 -5.456 1.00 20.00 N ATOM 0 H LYS A 62 -33.571 -44.632 -9.875 1.00 20.00 H new ATOM 0 HA LYS A 62 -32.849 -43.221 -7.424 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -35.217 -43.875 -8.160 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -34.772 -45.530 -7.793 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -34.209 -44.817 -5.450 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -34.769 -43.202 -5.836 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -36.577 -44.355 -4.737 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -37.019 -44.167 -6.422 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -36.331 -46.485 -6.899 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -35.768 -46.685 -5.252 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -37.957 -47.634 -5.552 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -38.033 -46.331 -4.465 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -38.578 -46.138 -6.062 1.00 20.00 H new ATOM 1149 N GLN A 63 -31.508 -45.945 -8.249 1.00 20.00 N ATOM 1150 CA GLN A 63 -30.566 -46.987 -7.881 1.00 20.00 C ATOM 1151 C GLN A 63 -29.141 -46.474 -8.016 1.00 20.00 C ATOM 1152 O GLN A 63 -28.648 -46.388 -9.160 1.00 20.00 O ATOM 1153 CB GLN A 63 -30.766 -48.227 -8.754 1.00 20.00 C ATOM 1154 CG GLN A 63 -32.119 -48.889 -8.565 1.00 20.00 C ATOM 1155 CD GLN A 63 -32.305 -50.115 -9.439 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -33.422 -50.442 -9.839 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -31.216 -50.809 -9.734 1.00 20.00 N ATOM 1158 OXT GLN A 63 -28.524 -46.144 -6.983 1.00 20.00 O ATOM 0 H GLN A 63 -31.597 -45.797 -9.254 1.00 20.00 H new ATOM 0 HA GLN A 63 -30.745 -47.265 -6.842 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -30.651 -47.947 -9.801 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -29.982 -48.950 -8.529 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -32.235 -49.174 -7.519 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -32.905 -48.168 -8.788 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -30.307 -50.506 -9.383 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -31.286 -51.647 -10.312 1.00 20.00 H new TER 1167 GLN A 63