USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 845 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 81 GLN : amide:sc= -0.581 X(o=-0.45,f=-0.46) USER MOD Set 1.2: A 85 SER OG : rot 86:sc= 0.13 USER MOD Set 2.1: A 38 LYS NZ :NH3+ -158:sc= 1.97 (180deg=1.12) USER MOD Set 2.2: A 42 HIS : no HE2:sc= 1.1 K(o=3.1,f=-5!) USER MOD Single : A 1 ARG N :NH3+ -176:sc= 0 (180deg=-0.0163) USER MOD Single : A 5 SER OG : rot 180:sc= 0.32 USER MOD Single : A 6 LYS NZ :NH3+ 131:sc= 0.086 (180deg=-0.366) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.44 (180deg=1.26) USER MOD Single : A 17 GLN : amide:sc= 0.621 K(o=0.62,f=-0.28) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= -0.0365 (180deg=-0.0449) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 72:sc= 1.04 USER MOD Single : A 45 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 54 GLN : amide:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.33) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 63 THR OG1 : rot 140:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -179:sc= -0.362 (180deg=-0.363) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.193) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 175:sc= 0.7 (180deg=0.628) USER MOD Single : B 5 SER OG : rot -77:sc= 0.84 USER MOD Single : B 9 SER OG : rot 87:sc= 0.758 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 10.579 7.722 7.558 1.00 0.00 N ATOM 2 CA ARG A 1 9.851 6.515 7.999 1.00 0.00 C ATOM 3 C ARG A 1 9.122 5.818 6.846 1.00 0.00 C ATOM 4 O ARG A 1 9.042 4.593 6.837 1.00 0.00 O ATOM 5 CB ARG A 1 8.920 6.798 9.190 1.00 0.00 C ATOM 6 CG ARG A 1 7.743 7.731 8.865 1.00 0.00 C ATOM 7 CD ARG A 1 6.897 7.963 10.123 1.00 0.00 C ATOM 8 NE ARG A 1 5.726 8.804 9.835 1.00 0.00 N ATOM 9 CZ ARG A 1 4.805 9.173 10.742 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.917 8.784 12.019 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.769 9.936 10.369 1.00 0.00 N ATOM 0 H1 ARG A 1 11.110 8.119 8.359 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.240 7.470 6.795 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.900 8.428 7.208 1.00 0.00 H new ATOM 0 HA ARG A 1 10.606 5.814 8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 1 8.526 5.852 9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.505 7.238 9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 1 8.116 8.683 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.128 7.294 8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.568 7.004 10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.507 8.438 10.891 1.00 0.00 H new ATOM 0 HE ARG A 1 5.603 9.131 8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.705 8.204 12.308 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.215 9.068 12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.680 10.236 9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.069 10.217 11.056 1.00 0.00 H new ATOM 27 N ALA A 2 8.595 6.580 5.878 1.00 0.00 N ATOM 28 CA ALA A 2 7.885 6.049 4.722 1.00 0.00 C ATOM 29 C ALA A 2 8.014 7.039 3.563 1.00 0.00 C ATOM 30 O ALA A 2 8.475 8.163 3.768 1.00 0.00 O ATOM 31 CB ALA A 2 6.415 5.818 5.088 1.00 0.00 C ATOM 0 H ALA A 2 8.655 7.598 5.883 1.00 0.00 H new ATOM 0 HA ALA A 2 8.315 5.095 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.883 5.421 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.353 5.106 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.962 6.763 5.390 1.00 0.00 H new ATOM 37 N GLY A 3 7.614 6.619 2.358 1.00 0.00 N ATOM 38 CA GLY A 3 7.667 7.433 1.153 1.00 0.00 C ATOM 39 C GLY A 3 6.387 8.254 0.987 1.00 0.00 C ATOM 40 O GLY A 3 5.776 8.654 1.976 1.00 0.00 O ATOM 0 H GLY A 3 7.238 5.685 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.528 8.100 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.807 6.792 0.283 1.00 0.00 H new ATOM 44 N LEU A 4 6.000 8.487 -0.276 1.00 0.00 N ATOM 45 CA LEU A 4 4.815 9.252 -0.690 1.00 0.00 C ATOM 46 C LEU A 4 5.125 10.747 -0.547 1.00 0.00 C ATOM 47 O LEU A 4 5.385 11.235 0.550 1.00 0.00 O ATOM 48 CB LEU A 4 3.555 8.823 0.093 1.00 0.00 C ATOM 49 CG LEU A 4 2.180 9.016 -0.589 1.00 0.00 C ATOM 50 CD1 LEU A 4 1.118 9.004 0.506 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.048 10.322 -1.381 1.00 0.00 C ATOM 0 H LEU A 4 6.529 8.131 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 4 4.587 9.043 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.659 7.767 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.542 9.373 1.034 1.00 0.00 H new ATOM 0 HG LEU A 4 2.060 8.208 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.133 9.138 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.150 8.051 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.311 9.814 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.055 10.378 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.194 11.170 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.801 10.348 -2.169 1.00 0.00 H new ATOM 63 N SER A 5 5.115 11.475 -1.669 1.00 0.00 N ATOM 64 CA SER A 5 5.404 12.892 -1.735 1.00 0.00 C ATOM 65 C SER A 5 4.862 13.457 -3.055 1.00 0.00 C ATOM 66 O SER A 5 3.799 13.034 -3.507 1.00 0.00 O ATOM 67 CB SER A 5 6.916 13.109 -1.542 1.00 0.00 C ATOM 68 OG SER A 5 7.223 14.484 -1.421 1.00 0.00 O ATOM 0 H SER A 5 4.897 11.071 -2.580 1.00 0.00 H new ATOM 0 HA SER A 5 4.905 13.438 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.251 12.579 -0.651 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.458 12.686 -2.388 1.00 0.00 H new ATOM 0 HG SER A 5 8.189 14.594 -1.298 1.00 0.00 H new ATOM 74 N LYS A 6 5.581 14.406 -3.665 1.00 0.00 N ATOM 75 CA LYS A 6 5.265 15.062 -4.929 1.00 0.00 C ATOM 76 C LYS A 6 6.608 15.303 -5.627 1.00 0.00 C ATOM 77 O LYS A 6 7.553 15.678 -4.937 1.00 0.00 O ATOM 78 CB LYS A 6 4.563 16.418 -4.704 1.00 0.00 C ATOM 79 CG LYS A 6 3.225 16.353 -3.947 1.00 0.00 C ATOM 80 CD LYS A 6 3.404 16.513 -2.426 1.00 0.00 C ATOM 81 CE LYS A 6 2.118 16.205 -1.650 1.00 0.00 C ATOM 82 NZ LYS A 6 1.656 14.816 -1.858 1.00 0.00 N ATOM 0 H LYS A 6 6.451 14.754 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 6 4.590 14.442 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.240 17.071 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.389 16.883 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.563 17.136 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.739 15.400 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.199 15.850 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.723 17.532 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.289 16.373 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.335 16.896 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.450 14.377 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.794 14.820 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.398 14.272 -2.342 1.00 0.00 H new ATOM 96 N LEU A 7 6.715 15.092 -6.953 1.00 0.00 N ATOM 97 CA LEU A 7 7.947 15.263 -7.711 1.00 0.00 C ATOM 98 C LEU A 7 9.101 14.445 -7.116 1.00 0.00 C ATOM 99 O LEU A 7 9.851 14.946 -6.280 1.00 0.00 O ATOM 100 CB LEU A 7 8.317 16.747 -7.900 1.00 0.00 C ATOM 101 CG LEU A 7 7.420 17.529 -8.881 1.00 0.00 C ATOM 102 CD1 LEU A 7 7.854 18.999 -8.864 1.00 0.00 C ATOM 103 CD2 LEU A 7 7.540 17.001 -10.321 1.00 0.00 C ATOM 0 H LEU A 7 5.927 14.793 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 7 7.761 14.866 -8.709 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.281 17.240 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.348 16.806 -8.250 1.00 0.00 H new ATOM 0 HG LEU A 7 6.384 17.410 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.231 19.570 -9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.743 19.400 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.897 19.074 -9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.891 17.581 -10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.573 17.094 -10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.242 15.953 -10.350 1.00 0.00 H new ATOM 115 N PRO A 8 9.253 13.182 -7.547 1.00 0.00 N ATOM 116 CA PRO A 8 10.304 12.301 -7.064 1.00 0.00 C ATOM 117 C PRO A 8 11.625 12.668 -7.754 1.00 0.00 C ATOM 118 O PRO A 8 11.808 13.805 -8.184 1.00 0.00 O ATOM 119 CB PRO A 8 9.783 10.895 -7.390 1.00 0.00 C ATOM 120 CG PRO A 8 9.022 11.105 -8.696 1.00 0.00 C ATOM 121 CD PRO A 8 8.426 12.507 -8.541 1.00 0.00 C ATOM 0 HA PRO A 8 10.520 12.377 -5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.597 10.180 -7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.134 10.512 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.683 11.043 -9.560 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.246 10.352 -8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.438 13.044 -9.489 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.387 12.457 -8.216 1.00 0.00 H new ATOM 129 N ASP A 9 12.552 11.713 -7.872 1.00 0.00 N ATOM 130 CA ASP A 9 13.850 11.936 -8.509 1.00 0.00 C ATOM 131 C ASP A 9 13.713 12.326 -9.992 1.00 0.00 C ATOM 132 O ASP A 9 14.655 12.842 -10.586 1.00 0.00 O ATOM 133 CB ASP A 9 14.739 10.692 -8.339 1.00 0.00 C ATOM 134 CG ASP A 9 16.232 10.972 -8.511 1.00 0.00 C ATOM 135 OD1 ASP A 9 16.602 12.147 -8.730 1.00 0.00 O ATOM 136 OD2 ASP A 9 16.995 9.985 -8.469 1.00 0.00 O ATOM 0 H ASP A 9 12.422 10.762 -7.527 1.00 0.00 H new ATOM 0 HA ASP A 9 14.326 12.781 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.570 10.269 -7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.434 9.938 -9.064 1.00 0.00 H new ATOM 141 N LEU A 10 12.547 12.076 -10.603 1.00 0.00 N ATOM 142 CA LEU A 10 12.209 12.369 -11.997 1.00 0.00 C ATOM 143 C LEU A 10 12.722 11.335 -12.986 1.00 0.00 C ATOM 144 O LEU A 10 12.259 11.292 -14.123 1.00 0.00 O ATOM 145 CB LEU A 10 12.556 13.797 -12.432 1.00 0.00 C ATOM 146 CG LEU A 10 12.180 14.879 -11.411 1.00 0.00 C ATOM 147 CD1 LEU A 10 12.532 16.227 -12.028 1.00 0.00 C ATOM 148 CD2 LEU A 10 10.696 14.862 -11.039 1.00 0.00 C ATOM 0 H LEU A 10 11.771 11.638 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 10 11.122 12.299 -12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.627 13.855 -12.627 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.049 14.011 -13.373 1.00 0.00 H new ATOM 0 HG LEU A 10 12.730 14.691 -10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.278 17.024 -11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.600 16.260 -12.244 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.970 16.362 -12.952 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.494 15.650 -10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.095 15.028 -11.933 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.441 13.895 -10.605 1.00 0.00 H new ATOM 160 N LYS A 11 13.638 10.477 -12.535 1.00 0.00 N ATOM 161 CA LYS A 11 14.121 9.362 -13.343 1.00 0.00 C ATOM 162 C LYS A 11 12.902 8.500 -13.702 1.00 0.00 C ATOM 163 O LYS A 11 12.847 7.932 -14.791 1.00 0.00 O ATOM 164 CB LYS A 11 15.153 8.503 -12.600 1.00 0.00 C ATOM 165 CG LYS A 11 16.585 9.055 -12.641 1.00 0.00 C ATOM 166 CD LYS A 11 16.815 10.188 -11.637 1.00 0.00 C ATOM 167 CE LYS A 11 17.013 11.558 -12.292 1.00 0.00 C ATOM 168 NZ LYS A 11 17.261 12.594 -11.270 1.00 0.00 N ATOM 0 H LYS A 11 14.061 10.536 -11.609 1.00 0.00 H new ATOM 0 HA LYS A 11 14.619 9.755 -14.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.844 8.405 -11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.150 7.501 -13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.287 8.247 -12.436 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.801 9.417 -13.646 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.964 10.239 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.691 9.954 -11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.852 11.517 -12.986 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.130 11.819 -12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.191 13.536 -11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.554 12.510 -10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.213 12.467 -10.871 1.00 0.00 H new ATOM 182 N ASP A 12 11.914 8.438 -12.797 1.00 0.00 N ATOM 183 CA ASP A 12 10.684 7.702 -13.010 1.00 0.00 C ATOM 184 C ASP A 12 9.803 8.578 -13.896 1.00 0.00 C ATOM 185 O ASP A 12 9.662 9.779 -13.668 1.00 0.00 O ATOM 186 CB ASP A 12 9.956 7.457 -11.691 1.00 0.00 C ATOM 187 CG ASP A 12 10.884 7.015 -10.566 1.00 0.00 C ATOM 188 OD1 ASP A 12 11.443 7.928 -9.917 1.00 0.00 O ATOM 189 OD2 ASP A 12 11.020 5.787 -10.385 1.00 0.00 O ATOM 0 H ASP A 12 11.958 8.906 -11.892 1.00 0.00 H new ATOM 0 HA ASP A 12 10.900 6.734 -13.462 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.442 8.371 -11.392 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.190 6.696 -11.842 1.00 0.00 H new ATOM 194 N ALA A 13 9.232 7.954 -14.924 1.00 0.00 N ATOM 195 CA ALA A 13 8.405 8.607 -15.924 1.00 0.00 C ATOM 196 C ALA A 13 6.937 8.605 -15.549 1.00 0.00 C ATOM 197 O ALA A 13 6.270 9.619 -15.707 1.00 0.00 O ATOM 198 CB ALA A 13 8.627 7.949 -17.290 1.00 0.00 C ATOM 0 H ALA A 13 9.338 6.952 -15.085 1.00 0.00 H new ATOM 0 HA ALA A 13 8.708 9.653 -15.977 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.005 8.442 -18.037 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.676 8.042 -17.573 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.359 6.894 -17.234 1.00 0.00 H new ATOM 204 N GLU A 14 6.438 7.476 -15.060 1.00 0.00 N ATOM 205 CA GLU A 14 5.045 7.299 -14.665 1.00 0.00 C ATOM 206 C GLU A 14 4.615 8.354 -13.643 1.00 0.00 C ATOM 207 O GLU A 14 3.550 8.956 -13.769 1.00 0.00 O ATOM 208 CB GLU A 14 4.849 5.886 -14.106 1.00 0.00 C ATOM 209 CG GLU A 14 5.109 4.817 -15.174 1.00 0.00 C ATOM 210 CD GLU A 14 4.916 3.419 -14.598 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.745 3.074 -14.331 1.00 0.00 O ATOM 212 OE2 GLU A 14 5.944 2.733 -14.420 1.00 0.00 O ATOM 0 H GLU A 14 7.004 6.638 -14.924 1.00 0.00 H new ATOM 0 HA GLU A 14 4.414 7.428 -15.545 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.522 5.731 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.833 5.782 -13.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.432 4.965 -16.016 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.124 4.920 -15.559 1.00 0.00 H new ATOM 219 N ALA A 15 5.460 8.582 -12.635 1.00 0.00 N ATOM 220 CA ALA A 15 5.202 9.564 -11.584 1.00 0.00 C ATOM 221 C ALA A 15 5.154 10.974 -12.162 1.00 0.00 C ATOM 222 O ALA A 15 4.416 11.836 -11.686 1.00 0.00 O ATOM 223 CB ALA A 15 6.329 9.530 -10.550 1.00 0.00 C ATOM 0 H ALA A 15 6.346 8.088 -12.526 1.00 0.00 H new ATOM 0 HA ALA A 15 4.245 9.314 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.129 10.265 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.386 8.536 -10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.276 9.765 -11.036 1.00 0.00 H new ATOM 229 N VAL A 16 5.971 11.188 -13.192 1.00 0.00 N ATOM 230 CA VAL A 16 6.087 12.462 -13.870 1.00 0.00 C ATOM 231 C VAL A 16 4.939 12.593 -14.853 1.00 0.00 C ATOM 232 O VAL A 16 4.514 13.708 -15.098 1.00 0.00 O ATOM 233 CB VAL A 16 7.490 12.644 -14.477 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.529 13.337 -15.836 1.00 0.00 C ATOM 235 CG2 VAL A 16 8.427 13.307 -13.482 1.00 0.00 C ATOM 0 H VAL A 16 6.577 10.465 -13.579 1.00 0.00 H new ATOM 0 HA VAL A 16 5.996 13.290 -13.167 1.00 0.00 H new ATOM 0 HB VAL A 16 7.842 11.633 -14.685 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.562 13.416 -16.175 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.954 12.756 -16.557 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.099 14.335 -15.748 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.412 13.425 -13.933 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.033 14.286 -13.208 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.509 12.686 -12.590 1.00 0.00 H new ATOM 245 N GLN A 17 4.408 11.491 -15.393 1.00 0.00 N ATOM 246 CA GLN A 17 3.272 11.557 -16.297 1.00 0.00 C ATOM 247 C GLN A 17 2.079 12.024 -15.482 1.00 0.00 C ATOM 248 O GLN A 17 1.319 12.876 -15.932 1.00 0.00 O ATOM 249 CB GLN A 17 2.971 10.204 -16.966 1.00 0.00 C ATOM 250 CG GLN A 17 1.840 10.283 -18.004 1.00 0.00 C ATOM 251 CD GLN A 17 2.219 11.149 -19.198 1.00 0.00 C ATOM 252 OE1 GLN A 17 1.870 12.325 -19.244 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.932 10.581 -20.166 1.00 0.00 N ATOM 0 H GLN A 17 4.751 10.547 -15.215 1.00 0.00 H new ATOM 0 HA GLN A 17 3.496 12.249 -17.109 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.875 9.836 -17.450 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.702 9.478 -16.199 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.594 9.279 -18.349 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.944 10.687 -17.533 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.203 9.601 -20.092 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.208 11.126 -20.983 1.00 0.00 H new ATOM 262 N LYS A 18 1.928 11.460 -14.276 1.00 0.00 N ATOM 263 CA LYS A 18 0.825 11.818 -13.397 1.00 0.00 C ATOM 264 C LYS A 18 0.888 13.309 -13.071 1.00 0.00 C ATOM 265 O LYS A 18 -0.074 14.036 -13.309 1.00 0.00 O ATOM 266 CB LYS A 18 0.825 10.942 -12.134 1.00 0.00 C ATOM 267 CG LYS A 18 0.645 9.436 -12.403 1.00 0.00 C ATOM 268 CD LYS A 18 -0.808 8.931 -12.336 1.00 0.00 C ATOM 269 CE LYS A 18 -1.757 9.461 -13.421 1.00 0.00 C ATOM 270 NZ LYS A 18 -1.232 9.248 -14.784 1.00 0.00 N ATOM 0 H LYS A 18 2.559 10.756 -13.894 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.120 11.629 -13.907 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.764 11.094 -11.602 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.026 11.279 -11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.048 9.208 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.241 8.879 -11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.796 7.843 -12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.219 9.195 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.724 8.967 -13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.926 10.526 -13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.924 9.592 -15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.339 9.768 -14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.063 8.233 -14.936 1.00 0.00 H new ATOM 284 N PHE A 19 2.027 13.760 -12.543 1.00 0.00 N ATOM 285 CA PHE A 19 2.235 15.157 -12.194 1.00 0.00 C ATOM 286 C PHE A 19 2.118 16.084 -13.415 1.00 0.00 C ATOM 287 O PHE A 19 1.498 17.143 -13.334 1.00 0.00 O ATOM 288 CB PHE A 19 3.605 15.308 -11.499 1.00 0.00 C ATOM 289 CG PHE A 19 4.143 16.723 -11.563 1.00 0.00 C ATOM 290 CD1 PHE A 19 4.792 17.143 -12.735 1.00 0.00 C ATOM 291 CD2 PHE A 19 3.990 17.621 -10.491 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.262 18.454 -12.846 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.481 18.936 -10.602 1.00 0.00 C ATOM 294 CZ PHE A 19 5.113 19.351 -11.790 1.00 0.00 C ATOM 0 H PHE A 19 2.830 13.162 -12.347 1.00 0.00 H new ATOM 0 HA PHE A 19 1.447 15.463 -11.506 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.513 15.006 -10.456 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.320 14.631 -11.965 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.928 16.451 -13.553 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.497 17.302 -9.585 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.745 18.775 -13.757 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.373 19.625 -9.777 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.481 20.362 -11.882 1.00 0.00 H new ATOM 304 N PHE A 20 2.739 15.704 -14.538 1.00 0.00 N ATOM 305 CA PHE A 20 2.773 16.499 -15.766 1.00 0.00 C ATOM 306 C PHE A 20 1.330 16.772 -16.181 1.00 0.00 C ATOM 307 O PHE A 20 0.970 17.910 -16.470 1.00 0.00 O ATOM 308 CB PHE A 20 3.570 15.752 -16.846 1.00 0.00 C ATOM 309 CG PHE A 20 3.628 16.295 -18.255 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.329 17.481 -18.527 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.009 15.592 -19.305 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.416 17.959 -19.846 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.100 16.066 -20.622 1.00 0.00 C ATOM 314 CZ PHE A 20 3.808 17.247 -20.891 1.00 0.00 C ATOM 0 H PHE A 20 3.240 14.819 -14.618 1.00 0.00 H new ATOM 0 HA PHE A 20 3.278 17.453 -15.614 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.596 15.666 -16.490 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.167 14.741 -16.905 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.801 18.026 -17.723 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.462 14.684 -19.096 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.951 18.874 -20.055 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.626 15.523 -21.427 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.885 17.609 -21.906 1.00 0.00 H new ATOM 324 N LEU A 21 0.498 15.722 -16.164 1.00 0.00 N ATOM 325 CA LEU A 21 -0.919 15.825 -16.469 1.00 0.00 C ATOM 326 C LEU A 21 -1.633 16.666 -15.423 1.00 0.00 C ATOM 327 O LEU A 21 -2.485 17.473 -15.787 1.00 0.00 O ATOM 328 CB LEU A 21 -1.564 14.431 -16.556 1.00 0.00 C ATOM 329 CG LEU A 21 -1.880 13.924 -17.973 1.00 0.00 C ATOM 330 CD1 LEU A 21 -2.175 12.421 -17.860 1.00 0.00 C ATOM 331 CD2 LEU A 21 -3.055 14.740 -18.530 1.00 0.00 C ATOM 0 H LEU A 21 0.800 14.775 -15.936 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.018 16.313 -17.438 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.899 13.714 -16.074 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.490 14.444 -15.981 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.052 14.053 -18.669 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.405 12.020 -18.847 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.303 11.908 -17.454 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.027 12.266 -17.198 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.294 14.394 -19.536 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.925 14.611 -17.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.782 15.795 -18.564 1.00 0.00 H new ATOM 343 N GLU A 22 -1.295 16.502 -14.140 1.00 0.00 N ATOM 344 CA GLU A 22 -1.913 17.307 -13.098 1.00 0.00 C ATOM 345 C GLU A 22 -1.644 18.792 -13.372 1.00 0.00 C ATOM 346 O GLU A 22 -2.495 19.625 -13.074 1.00 0.00 O ATOM 347 CB GLU A 22 -1.439 16.876 -11.701 1.00 0.00 C ATOM 348 CG GLU A 22 -2.161 17.648 -10.588 1.00 0.00 C ATOM 349 CD GLU A 22 -1.851 17.055 -9.218 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.647 16.982 -8.891 1.00 0.00 O ATOM 351 OE2 GLU A 22 -2.820 16.670 -8.529 1.00 0.00 O ATOM 0 H GLU A 22 -0.606 15.827 -13.808 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.991 17.148 -13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.612 15.807 -11.573 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.364 17.037 -11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.858 18.695 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.237 17.624 -10.763 1.00 0.00 H new ATOM 358 N GLU A 23 -0.483 19.122 -13.956 1.00 0.00 N ATOM 359 CA GLU A 23 -0.108 20.491 -14.265 1.00 0.00 C ATOM 360 C GLU A 23 -0.841 20.968 -15.522 1.00 0.00 C ATOM 361 O GLU A 23 -1.444 22.037 -15.513 1.00 0.00 O ATOM 362 CB GLU A 23 1.411 20.673 -14.316 1.00 0.00 C ATOM 363 CG GLU A 23 1.734 22.120 -13.912 1.00 0.00 C ATOM 364 CD GLU A 23 1.924 22.340 -12.413 1.00 0.00 C ATOM 365 OE1 GLU A 23 1.197 21.702 -11.623 1.00 0.00 O ATOM 366 OE2 GLU A 23 2.784 23.188 -12.085 1.00 0.00 O ATOM 0 H GLU A 23 0.221 18.434 -14.225 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.432 21.140 -13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.901 19.971 -13.641 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.785 20.465 -15.318 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.642 22.432 -14.429 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.930 22.768 -14.261 1.00 0.00 H new ATOM 373 N ILE A 24 -0.813 20.151 -16.583 1.00 0.00 N ATOM 374 CA ILE A 24 -1.511 20.394 -17.856 1.00 0.00 C ATOM 375 C ILE A 24 -2.981 20.746 -17.533 1.00 0.00 C ATOM 376 O ILE A 24 -3.517 21.756 -18.010 1.00 0.00 O ATOM 377 CB ILE A 24 -1.347 19.160 -18.824 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.170 19.241 -19.843 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.629 18.708 -19.539 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.443 18.554 -21.192 1.00 0.00 C ATOM 0 H ILE A 24 -0.289 19.276 -16.581 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.075 21.236 -18.394 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.084 18.387 -18.101 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.064 20.290 -20.025 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.715 18.790 -19.393 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.407 17.854 -20.179 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.377 18.422 -18.799 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.015 19.527 -20.147 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.429 18.660 -21.837 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.646 17.496 -21.027 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.306 19.019 -21.669 1.00 0.00 H new ATOM 392 N GLN A 25 -3.626 19.915 -16.699 1.00 0.00 N ATOM 393 CA GLN A 25 -5.026 20.114 -16.328 1.00 0.00 C ATOM 394 C GLN A 25 -5.222 21.283 -15.365 1.00 0.00 C ATOM 395 O GLN A 25 -6.186 22.030 -15.497 1.00 0.00 O ATOM 396 CB GLN A 25 -5.712 18.808 -15.903 1.00 0.00 C ATOM 397 CG GLN A 25 -5.444 18.495 -14.437 1.00 0.00 C ATOM 398 CD GLN A 25 -5.943 17.121 -14.005 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.546 16.388 -14.782 1.00 0.00 O ATOM 400 NE2 GLN A 25 -5.680 16.762 -12.749 1.00 0.00 N ATOM 0 H GLN A 25 -3.193 19.097 -16.270 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.554 20.420 -17.231 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.786 18.888 -16.070 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.353 17.987 -16.524 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.372 18.558 -14.251 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.920 19.256 -13.819 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.176 17.398 -12.132 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.983 15.851 -12.405 1.00 0.00 H new ATOM 409 N LEU A 26 -4.306 21.455 -14.407 1.00 0.00 N ATOM 410 CA LEU A 26 -4.349 22.552 -13.438 1.00 0.00 C ATOM 411 C LEU A 26 -4.316 23.876 -14.200 1.00 0.00 C ATOM 412 O LEU A 26 -5.088 24.780 -13.887 1.00 0.00 O ATOM 413 CB LEU A 26 -3.254 22.358 -12.376 1.00 0.00 C ATOM 414 CG LEU A 26 -2.855 23.500 -11.441 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.215 24.685 -12.158 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.022 23.959 -10.584 1.00 0.00 C ATOM 0 H LEU A 26 -3.508 20.832 -14.282 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.277 22.563 -12.867 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.563 21.523 -11.747 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.352 22.045 -12.901 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.087 23.082 -10.790 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.959 25.455 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.311 24.355 -12.671 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.917 25.092 -12.886 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.698 24.771 -9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.830 24.309 -11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.377 23.127 -9.976 1.00 0.00 H new ATOM 428 N GLY A 27 -3.452 23.987 -15.214 1.00 0.00 N ATOM 429 CA GLY A 27 -3.357 25.175 -16.046 1.00 0.00 C ATOM 430 C GLY A 27 -4.685 25.372 -16.745 1.00 0.00 C ATOM 431 O GLY A 27 -5.330 26.385 -16.490 1.00 0.00 O ATOM 0 H GLY A 27 -2.799 23.248 -15.476 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.115 26.046 -15.438 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.556 25.064 -16.777 1.00 0.00 H new ATOM 435 N GLU A 28 -5.108 24.423 -17.600 1.00 0.00 N ATOM 436 CA GLU A 28 -6.402 24.581 -18.273 1.00 0.00 C ATOM 437 C GLU A 28 -7.510 25.030 -17.306 1.00 0.00 C ATOM 438 O GLU A 28 -8.238 25.973 -17.601 1.00 0.00 O ATOM 439 CB GLU A 28 -6.833 23.324 -19.039 1.00 0.00 C ATOM 440 CG GLU A 28 -8.001 23.696 -19.978 1.00 0.00 C ATOM 441 CD GLU A 28 -8.717 22.496 -20.577 1.00 0.00 C ATOM 442 OE1 GLU A 28 -8.583 21.402 -19.993 1.00 0.00 O ATOM 443 OE2 GLU A 28 -9.406 22.698 -21.601 1.00 0.00 O ATOM 0 H GLU A 28 -4.594 23.573 -17.832 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.253 25.373 -19.007 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.997 22.926 -19.614 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.141 22.544 -18.343 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.722 24.297 -19.424 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.620 24.320 -20.786 1.00 0.00 H new ATOM 450 N GLU A 29 -7.624 24.369 -16.153 1.00 0.00 N ATOM 451 CA GLU A 29 -8.623 24.679 -15.126 1.00 0.00 C ATOM 452 C GLU A 29 -8.480 26.120 -14.623 1.00 0.00 C ATOM 453 O GLU A 29 -9.468 26.842 -14.517 1.00 0.00 O ATOM 454 CB GLU A 29 -8.546 23.660 -13.976 1.00 0.00 C ATOM 455 CG GLU A 29 -9.562 23.875 -12.847 1.00 0.00 C ATOM 456 CD GLU A 29 -10.958 23.385 -13.210 1.00 0.00 C ATOM 457 OE1 GLU A 29 -11.594 23.990 -14.100 1.00 0.00 O ATOM 458 OE2 GLU A 29 -11.390 22.378 -12.601 1.00 0.00 O ATOM 0 H GLU A 29 -7.015 23.590 -15.901 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.613 24.600 -15.576 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.689 22.660 -14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.543 23.690 -13.551 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.220 23.355 -11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.606 24.936 -12.601 1.00 0.00 H new ATOM 465 N LEU A 30 -7.262 26.575 -14.312 1.00 0.00 N ATOM 466 CA LEU A 30 -7.078 27.948 -13.862 1.00 0.00 C ATOM 467 C LEU A 30 -7.504 28.909 -14.964 1.00 0.00 C ATOM 468 O LEU A 30 -8.145 29.921 -14.689 1.00 0.00 O ATOM 469 CB LEU A 30 -5.625 28.207 -13.428 1.00 0.00 C ATOM 470 CG LEU A 30 -5.295 27.857 -11.968 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.816 28.165 -11.714 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.116 28.668 -10.952 1.00 0.00 C ATOM 0 H LEU A 30 -6.407 26.021 -14.364 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.706 28.115 -12.987 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.963 27.635 -14.078 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.399 29.261 -13.590 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.534 26.802 -11.832 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.566 27.922 -10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.199 27.569 -12.387 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.629 29.224 -11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.836 28.374 -9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.917 29.731 -11.089 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.178 28.475 -11.105 1.00 0.00 H new ATOM 484 N LEU A 31 -7.187 28.595 -16.220 1.00 0.00 N ATOM 485 CA LEU A 31 -7.607 29.431 -17.344 1.00 0.00 C ATOM 486 C LEU A 31 -9.116 29.347 -17.501 1.00 0.00 C ATOM 487 O LEU A 31 -9.747 30.318 -17.914 1.00 0.00 O ATOM 488 CB LEU A 31 -6.857 29.011 -18.587 1.00 0.00 C ATOM 489 CG LEU A 31 -5.382 29.428 -18.496 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.742 29.604 -17.111 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.627 28.357 -19.258 1.00 0.00 C ATOM 0 H LEU A 31 -6.644 27.773 -16.484 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.364 30.478 -17.162 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.928 27.931 -18.713 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.315 29.465 -19.466 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.328 30.441 -18.895 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.699 29.899 -17.227 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.278 30.375 -16.558 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.794 28.663 -16.564 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.561 28.582 -19.241 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.801 27.387 -18.792 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.976 28.331 -20.290 1.00 0.00 H new ATOM 503 N ALA A 32 -9.694 28.212 -17.105 1.00 0.00 N ATOM 504 CA ALA A 32 -11.136 28.036 -17.075 1.00 0.00 C ATOM 505 C ALA A 32 -11.749 29.058 -16.102 1.00 0.00 C ATOM 506 O ALA A 32 -12.925 29.392 -16.228 1.00 0.00 O ATOM 507 CB ALA A 32 -11.534 26.584 -16.766 1.00 0.00 C ATOM 0 H ALA A 32 -9.171 27.392 -16.797 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.545 28.230 -18.067 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.621 26.499 -16.754 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.127 25.924 -17.532 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.137 26.297 -15.792 1.00 0.00 H new ATOM 513 N GLN A 33 -10.940 29.588 -15.167 1.00 0.00 N ATOM 514 CA GLN A 33 -11.316 30.634 -14.228 1.00 0.00 C ATOM 515 C GLN A 33 -10.947 31.981 -14.866 1.00 0.00 C ATOM 516 O GLN A 33 -11.675 32.960 -14.722 1.00 0.00 O ATOM 517 CB GLN A 33 -10.615 30.407 -12.876 1.00 0.00 C ATOM 518 CG GLN A 33 -11.638 30.267 -11.743 1.00 0.00 C ATOM 519 CD GLN A 33 -10.961 30.064 -10.390 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.100 30.891 -9.493 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.229 28.961 -10.229 1.00 0.00 N ATOM 0 H GLN A 33 -9.974 29.282 -15.049 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.386 30.622 -14.023 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.999 29.509 -12.928 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.945 31.241 -12.665 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.264 31.159 -11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.297 29.424 -11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.135 28.295 -10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.763 28.783 -9.339 1.00 0.00 H new ATOM 530 N GLY A 34 -9.820 31.999 -15.587 1.00 0.00 N ATOM 531 CA GLY A 34 -9.272 33.124 -16.333 1.00 0.00 C ATOM 532 C GLY A 34 -7.842 33.489 -15.933 1.00 0.00 C ATOM 533 O GLY A 34 -7.385 34.567 -16.307 1.00 0.00 O ATOM 0 H GLY A 34 -9.232 31.170 -15.666 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.293 32.888 -17.397 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.914 33.993 -16.187 1.00 0.00 H new ATOM 537 N ASP A 35 -7.123 32.636 -15.183 1.00 0.00 N ATOM 538 CA ASP A 35 -5.765 32.981 -14.737 1.00 0.00 C ATOM 539 C ASP A 35 -4.659 32.640 -15.748 1.00 0.00 C ATOM 540 O ASP A 35 -3.735 31.887 -15.451 1.00 0.00 O ATOM 541 CB ASP A 35 -5.494 32.412 -13.333 1.00 0.00 C ATOM 542 CG ASP A 35 -4.406 33.190 -12.591 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.557 33.814 -13.268 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.417 33.112 -11.343 1.00 0.00 O ATOM 0 H ASP A 35 -7.453 31.720 -14.878 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.728 34.068 -14.673 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.415 32.434 -12.750 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.196 31.367 -13.418 1.00 0.00 H new ATOM 549 N TYR A 36 -4.754 33.217 -16.950 1.00 0.00 N ATOM 550 CA TYR A 36 -3.824 33.084 -18.072 1.00 0.00 C ATOM 551 C TYR A 36 -2.368 33.178 -17.629 1.00 0.00 C ATOM 552 O TYR A 36 -1.531 32.371 -18.035 1.00 0.00 O ATOM 553 CB TYR A 36 -4.138 34.140 -19.141 1.00 0.00 C ATOM 554 CG TYR A 36 -5.614 34.418 -19.367 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.472 33.392 -19.805 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.131 35.706 -19.130 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.839 33.653 -20.003 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.497 35.967 -19.330 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.351 34.939 -19.766 1.00 0.00 C ATOM 560 OH TYR A 36 -9.677 35.190 -19.958 1.00 0.00 O ATOM 0 H TYR A 36 -5.536 33.830 -17.179 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.960 32.090 -18.499 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.648 35.073 -18.861 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.697 33.819 -20.085 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.080 32.403 -19.989 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.476 36.496 -18.793 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.496 32.864 -20.338 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.890 36.956 -19.149 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.866 36.128 -19.748 1.00 0.00 H new ATOM 570 N GLU A 37 -2.093 34.167 -16.782 1.00 0.00 N ATOM 571 CA GLU A 37 -0.786 34.449 -16.208 1.00 0.00 C ATOM 572 C GLU A 37 -0.238 33.194 -15.546 1.00 0.00 C ATOM 573 O GLU A 37 0.906 32.803 -15.778 1.00 0.00 O ATOM 574 CB GLU A 37 -0.885 35.620 -15.218 1.00 0.00 C ATOM 575 CG GLU A 37 -0.783 36.982 -15.919 1.00 0.00 C ATOM 576 CD GLU A 37 -1.824 37.186 -17.015 1.00 0.00 C ATOM 577 OE1 GLU A 37 -3.007 36.867 -16.760 1.00 0.00 O ATOM 578 OE2 GLU A 37 -1.408 37.652 -18.099 1.00 0.00 O ATOM 0 H GLU A 37 -2.809 34.821 -16.465 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.093 34.744 -16.996 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.831 35.560 -14.680 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.091 35.535 -14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.891 37.772 -15.176 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.212 37.085 -16.352 1.00 0.00 H new ATOM 585 N LYS A 38 -1.084 32.564 -14.737 1.00 0.00 N ATOM 586 CA LYS A 38 -0.730 31.332 -14.057 1.00 0.00 C ATOM 587 C LYS A 38 -0.633 30.183 -15.051 1.00 0.00 C ATOM 588 O LYS A 38 0.196 29.301 -14.860 1.00 0.00 O ATOM 589 CB LYS A 38 -1.703 31.016 -12.912 1.00 0.00 C ATOM 590 CG LYS A 38 -1.182 31.499 -11.549 1.00 0.00 C ATOM 591 CD LYS A 38 -0.172 30.450 -11.070 1.00 0.00 C ATOM 592 CE LYS A 38 0.728 30.855 -9.905 1.00 0.00 C ATOM 593 NZ LYS A 38 1.720 29.788 -9.664 1.00 0.00 N ATOM 0 H LYS A 38 -2.028 32.894 -14.538 1.00 0.00 H new ATOM 0 HA LYS A 38 0.252 31.467 -13.604 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.665 31.485 -13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.875 29.940 -12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.711 32.478 -11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.000 31.603 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.721 29.554 -10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.463 30.177 -11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.234 31.794 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.130 31.021 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.077 29.859 -8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.272 28.860 -9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.511 29.893 -10.331 1.00 0.00 H new ATOM 607 N GLY A 39 -1.442 30.186 -16.117 1.00 0.00 N ATOM 608 CA GLY A 39 -1.351 29.140 -17.125 1.00 0.00 C ATOM 609 C GLY A 39 0.025 29.132 -17.760 1.00 0.00 C ATOM 610 O GLY A 39 0.559 28.066 -18.028 1.00 0.00 O ATOM 0 H GLY A 39 -2.155 30.893 -16.297 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.554 28.170 -16.670 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.110 29.298 -17.891 1.00 0.00 H new ATOM 614 N VAL A 40 0.605 30.312 -17.998 1.00 0.00 N ATOM 615 CA VAL A 40 1.925 30.397 -18.601 1.00 0.00 C ATOM 616 C VAL A 40 2.943 29.704 -17.686 1.00 0.00 C ATOM 617 O VAL A 40 3.702 28.854 -18.140 1.00 0.00 O ATOM 618 CB VAL A 40 2.290 31.864 -18.936 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.745 31.956 -19.404 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.388 32.464 -20.035 1.00 0.00 C ATOM 0 H VAL A 40 0.179 31.213 -17.781 1.00 0.00 H new ATOM 0 HA VAL A 40 1.936 29.872 -19.556 1.00 0.00 H new ATOM 0 HB VAL A 40 2.141 32.434 -18.019 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.988 32.993 -19.636 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.405 31.597 -18.614 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.880 31.344 -20.296 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.688 33.494 -20.230 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.488 31.878 -20.948 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.350 32.445 -19.704 1.00 0.00 H new ATOM 630 N ASP A 41 2.944 30.061 -16.399 1.00 0.00 N ATOM 631 CA ASP A 41 3.839 29.521 -15.376 1.00 0.00 C ATOM 632 C ASP A 41 3.679 28.008 -15.235 1.00 0.00 C ATOM 633 O ASP A 41 4.640 27.245 -15.326 1.00 0.00 O ATOM 634 CB ASP A 41 3.581 30.242 -14.034 1.00 0.00 C ATOM 635 CG ASP A 41 4.089 29.486 -12.807 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.267 29.070 -12.821 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.283 29.356 -11.857 1.00 0.00 O ATOM 0 H ASP A 41 2.298 30.759 -16.029 1.00 0.00 H new ATOM 0 HA ASP A 41 4.870 29.701 -15.681 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.056 31.223 -14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.510 30.410 -13.925 1.00 0.00 H new ATOM 642 N HIS A 42 2.449 27.573 -15.003 1.00 0.00 N ATOM 643 CA HIS A 42 2.135 26.169 -14.810 1.00 0.00 C ATOM 644 C HIS A 42 2.406 25.376 -16.076 1.00 0.00 C ATOM 645 O HIS A 42 2.833 24.227 -15.995 1.00 0.00 O ATOM 646 CB HIS A 42 0.727 25.990 -14.244 1.00 0.00 C ATOM 647 CG HIS A 42 0.703 26.325 -12.776 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.397 25.590 -11.827 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.079 27.321 -12.071 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.169 26.157 -10.633 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.369 27.224 -10.709 1.00 0.00 N ATOM 0 H HIS A 42 1.638 28.189 -14.943 1.00 0.00 H new ATOM 0 HA HIS A 42 2.802 25.754 -14.055 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.028 26.632 -14.781 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.396 24.962 -14.394 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.975 24.769 -12.004 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.552 28.079 -12.510 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.588 25.790 -9.708 1.00 0.00 H new ATOM 659 N LEU A 43 2.217 25.976 -17.256 1.00 0.00 N ATOM 660 CA LEU A 43 2.560 25.227 -18.448 1.00 0.00 C ATOM 661 C LEU A 43 4.085 25.116 -18.452 1.00 0.00 C ATOM 662 O LEU A 43 4.611 24.032 -18.688 1.00 0.00 O ATOM 663 CB LEU A 43 1.991 25.835 -19.735 1.00 0.00 C ATOM 664 CG LEU A 43 1.738 24.718 -20.760 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.342 24.102 -20.560 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.836 25.276 -22.177 1.00 0.00 C ATOM 0 H LEU A 43 1.852 26.917 -17.401 1.00 0.00 H new ATOM 0 HA LEU A 43 2.102 24.238 -18.425 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.062 26.364 -19.521 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.688 26.567 -20.143 1.00 0.00 H new ATOM 0 HG LEU A 43 2.494 23.947 -20.613 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.183 23.314 -21.296 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.270 23.682 -19.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.418 24.874 -20.686 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.655 24.477 -22.896 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.091 26.060 -22.311 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.832 25.690 -22.337 1.00 0.00 H new ATOM 678 N THR A 44 4.793 26.218 -18.146 1.00 0.00 N ATOM 679 CA THR A 44 6.254 26.215 -18.088 1.00 0.00 C ATOM 680 C THR A 44 6.755 25.073 -17.188 1.00 0.00 C ATOM 681 O THR A 44 7.764 24.437 -17.490 1.00 0.00 O ATOM 682 CB THR A 44 6.837 27.586 -17.699 1.00 0.00 C ATOM 683 OG1 THR A 44 6.445 28.554 -18.649 1.00 0.00 O ATOM 684 CG2 THR A 44 8.369 27.554 -17.677 1.00 0.00 C ATOM 0 H THR A 44 4.369 27.122 -17.935 1.00 0.00 H new ATOM 0 HA THR A 44 6.626 26.026 -19.095 1.00 0.00 H new ATOM 0 HB THR A 44 6.463 27.832 -16.705 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.489 28.745 -18.546 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.749 28.537 -17.399 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.707 26.815 -16.950 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.742 27.287 -18.666 1.00 0.00 H new ATOM 692 N ASN A 45 6.029 24.798 -16.098 1.00 0.00 N ATOM 693 CA ASN A 45 6.358 23.723 -15.162 1.00 0.00 C ATOM 694 C ASN A 45 6.254 22.378 -15.887 1.00 0.00 C ATOM 695 O ASN A 45 7.161 21.544 -15.802 1.00 0.00 O ATOM 696 CB ASN A 45 5.470 23.748 -13.908 1.00 0.00 C ATOM 697 CG ASN A 45 5.978 24.723 -12.847 1.00 0.00 C ATOM 698 OD1 ASN A 45 6.597 24.313 -11.869 1.00 0.00 O ATOM 699 ND2 ASN A 45 5.729 26.017 -13.032 1.00 0.00 N ATOM 0 H ASN A 45 5.191 25.320 -15.841 1.00 0.00 H new ATOM 0 HA ASN A 45 7.380 23.872 -14.813 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.454 24.023 -14.192 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.421 22.746 -13.482 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.055 26.702 -12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.212 26.324 -13.856 1.00 0.00 H new ATOM 706 N ALA A 46 5.156 22.176 -16.626 1.00 0.00 N ATOM 707 CA ALA A 46 4.945 20.962 -17.398 1.00 0.00 C ATOM 708 C ALA A 46 6.175 20.731 -18.296 1.00 0.00 C ATOM 709 O ALA A 46 6.758 19.646 -18.309 1.00 0.00 O ATOM 710 CB ALA A 46 3.610 21.035 -18.161 1.00 0.00 C ATOM 0 H ALA A 46 4.396 22.852 -16.700 1.00 0.00 H new ATOM 0 HA ALA A 46 4.854 20.092 -16.747 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.468 20.119 -18.734 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.791 21.150 -17.451 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.625 21.888 -18.839 1.00 0.00 H new ATOM 716 N ILE A 47 6.609 21.768 -19.027 1.00 0.00 N ATOM 717 CA ILE A 47 7.793 21.660 -19.879 1.00 0.00 C ATOM 718 C ILE A 47 9.059 21.402 -19.060 1.00 0.00 C ATOM 719 O ILE A 47 9.975 20.736 -19.536 1.00 0.00 O ATOM 720 CB ILE A 47 7.987 22.901 -20.781 1.00 0.00 C ATOM 721 CG1 ILE A 47 6.887 23.061 -21.859 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.383 22.885 -21.429 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.600 23.662 -21.304 1.00 0.00 C ATOM 0 H ILE A 47 6.159 22.683 -19.043 1.00 0.00 H new ATOM 0 HA ILE A 47 7.619 20.801 -20.528 1.00 0.00 H new ATOM 0 HB ILE A 47 7.900 23.769 -20.128 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.262 23.695 -22.663 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.669 22.087 -22.297 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.501 23.766 -22.060 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.146 22.891 -20.650 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.492 21.986 -22.036 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.865 23.751 -22.104 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.206 23.016 -20.519 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.808 24.649 -20.891 1.00 0.00 H new ATOM 735 N ALA A 48 9.125 21.934 -17.843 1.00 0.00 N ATOM 736 CA ALA A 48 10.283 21.802 -16.973 1.00 0.00 C ATOM 737 C ALA A 48 10.492 20.357 -16.563 1.00 0.00 C ATOM 738 O ALA A 48 11.628 19.950 -16.327 1.00 0.00 O ATOM 739 CB ALA A 48 10.200 22.726 -15.756 1.00 0.00 C ATOM 0 H ALA A 48 8.365 22.475 -17.431 1.00 0.00 H new ATOM 0 HA ALA A 48 11.155 22.118 -17.545 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.087 22.592 -15.136 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.144 23.762 -16.089 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.311 22.483 -15.175 1.00 0.00 H new ATOM 745 N VAL A 49 9.405 19.580 -16.510 1.00 0.00 N ATOM 746 CA VAL A 49 9.498 18.179 -16.147 1.00 0.00 C ATOM 747 C VAL A 49 9.476 17.284 -17.384 1.00 0.00 C ATOM 748 O VAL A 49 9.882 16.126 -17.289 1.00 0.00 O ATOM 749 CB VAL A 49 8.383 17.815 -15.163 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.396 18.765 -13.965 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.973 17.809 -15.757 1.00 0.00 C ATOM 0 H VAL A 49 8.460 19.904 -16.714 1.00 0.00 H new ATOM 0 HA VAL A 49 10.454 18.010 -15.652 1.00 0.00 H new ATOM 0 HB VAL A 49 8.605 16.790 -14.866 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.597 18.492 -13.276 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.356 18.693 -13.454 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.244 19.788 -14.310 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.254 17.540 -14.984 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.737 18.800 -16.143 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.923 17.082 -16.568 1.00 0.00 H new ATOM 761 N CYS A 50 9.025 17.795 -18.539 1.00 0.00 N ATOM 762 CA CYS A 50 8.983 16.992 -19.759 1.00 0.00 C ATOM 763 C CYS A 50 10.286 17.109 -20.553 1.00 0.00 C ATOM 764 O CYS A 50 10.829 16.103 -21.004 1.00 0.00 O ATOM 765 CB CYS A 50 7.762 17.378 -20.590 1.00 0.00 C ATOM 766 SG CYS A 50 7.686 16.376 -22.098 1.00 0.00 S ATOM 0 H CYS A 50 8.688 18.752 -18.649 1.00 0.00 H new ATOM 0 HA CYS A 50 8.887 15.941 -19.486 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.854 17.235 -20.004 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.810 18.436 -20.850 1.00 0.00 H new ATOM 0 HG CYS A 50 6.641 16.715 -22.792 1.00 0.00 H new ATOM 772 N GLY A 51 10.789 18.334 -20.736 1.00 0.00 N ATOM 773 CA GLY A 51 12.020 18.603 -21.467 1.00 0.00 C ATOM 774 C GLY A 51 11.842 18.396 -22.972 1.00 0.00 C ATOM 775 O GLY A 51 12.768 17.970 -23.658 1.00 0.00 O ATOM 0 H GLY A 51 10.342 19.176 -20.373 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.340 19.627 -21.276 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.811 17.948 -21.101 1.00 0.00 H new ATOM 779 N GLN A 52 10.644 18.703 -23.478 1.00 0.00 N ATOM 780 CA GLN A 52 10.283 18.576 -24.885 1.00 0.00 C ATOM 781 C GLN A 52 9.113 19.528 -25.135 1.00 0.00 C ATOM 782 O GLN A 52 7.999 19.068 -25.386 1.00 0.00 O ATOM 783 CB GLN A 52 9.955 17.103 -25.190 1.00 0.00 C ATOM 784 CG GLN A 52 9.974 16.827 -26.698 1.00 0.00 C ATOM 785 CD GLN A 52 11.369 16.931 -27.307 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.630 17.826 -28.106 1.00 0.00 O ATOM 787 NE2 GLN A 52 12.272 16.025 -26.934 1.00 0.00 N ATOM 0 H GLN A 52 9.881 19.056 -22.901 1.00 0.00 H new ATOM 0 HA GLN A 52 11.096 18.851 -25.557 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.677 16.457 -24.691 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.973 16.856 -24.786 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.576 15.829 -26.884 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.312 17.533 -27.199 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.018 15.296 -26.268 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.218 16.061 -27.315 1.00 0.00 H new ATOM 796 N PRO A 53 9.333 20.858 -25.062 1.00 0.00 N ATOM 797 CA PRO A 53 8.268 21.821 -25.266 1.00 0.00 C ATOM 798 C PRO A 53 7.530 21.609 -26.578 1.00 0.00 C ATOM 799 O PRO A 53 6.319 21.463 -26.584 1.00 0.00 O ATOM 800 CB PRO A 53 8.923 23.211 -25.234 1.00 0.00 C ATOM 801 CG PRO A 53 10.412 22.938 -25.436 1.00 0.00 C ATOM 802 CD PRO A 53 10.580 21.571 -24.782 1.00 0.00 C ATOM 0 HA PRO A 53 7.516 21.709 -24.485 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.527 23.854 -26.020 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.737 23.715 -24.286 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.683 22.921 -26.492 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.033 23.696 -24.960 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.438 21.040 -25.193 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.748 21.665 -23.709 1.00 0.00 H new ATOM 810 N GLN A 54 8.276 21.625 -27.678 1.00 0.00 N ATOM 811 CA GLN A 54 7.780 21.531 -29.044 1.00 0.00 C ATOM 812 C GLN A 54 6.899 20.312 -29.300 1.00 0.00 C ATOM 813 O GLN A 54 5.861 20.449 -29.949 1.00 0.00 O ATOM 814 CB GLN A 54 8.948 21.633 -30.040 1.00 0.00 C ATOM 815 CG GLN A 54 9.800 22.910 -29.881 1.00 0.00 C ATOM 816 CD GLN A 54 10.797 23.061 -31.027 1.00 0.00 C ATOM 817 OE1 GLN A 54 12.004 22.977 -30.820 1.00 0.00 O ATOM 818 NE2 GLN A 54 10.300 23.286 -32.244 1.00 0.00 N ATOM 0 H GLN A 54 9.292 21.708 -27.638 1.00 0.00 H new ATOM 0 HA GLN A 54 7.116 22.381 -29.200 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.592 20.762 -29.919 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.551 21.598 -31.054 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.148 23.783 -29.847 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.336 22.876 -28.933 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.291 23.350 -32.379 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.929 23.394 -33.040 1.00 0.00 H new ATOM 827 N GLN A 55 7.283 19.132 -28.798 1.00 0.00 N ATOM 828 CA GLN A 55 6.449 17.952 -29.006 1.00 0.00 C ATOM 829 C GLN A 55 5.092 18.190 -28.359 1.00 0.00 C ATOM 830 O GLN A 55 4.052 17.967 -28.979 1.00 0.00 O ATOM 831 CB GLN A 55 7.120 16.661 -28.517 1.00 0.00 C ATOM 832 CG GLN A 55 6.297 15.406 -28.850 1.00 0.00 C ATOM 833 CD GLN A 55 5.973 15.275 -30.337 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.811 15.144 -30.709 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.990 15.309 -31.198 1.00 0.00 N ATOM 0 H GLN A 55 8.137 18.974 -28.263 1.00 0.00 H new ATOM 0 HA GLN A 55 6.308 17.803 -30.076 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.107 16.575 -28.970 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.268 16.719 -27.439 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.847 14.522 -28.525 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.366 15.429 -28.283 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.945 15.419 -30.856 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.814 15.225 -32.199 1.00 0.00 H new ATOM 844 N LEU A 56 5.112 18.680 -27.117 1.00 0.00 N ATOM 845 CA LEU A 56 3.890 18.997 -26.423 1.00 0.00 C ATOM 846 C LEU A 56 3.165 20.112 -27.169 1.00 0.00 C ATOM 847 O LEU A 56 1.961 20.043 -27.286 1.00 0.00 O ATOM 848 CB LEU A 56 4.138 19.370 -24.949 1.00 0.00 C ATOM 849 CG LEU A 56 2.833 19.701 -24.202 1.00 0.00 C ATOM 850 CD1 LEU A 56 1.977 18.447 -23.957 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.173 20.413 -22.889 1.00 0.00 C ATOM 0 H LEU A 56 5.963 18.860 -26.585 1.00 0.00 H new ATOM 0 HA LEU A 56 3.260 18.108 -26.406 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.642 18.544 -24.447 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.809 20.228 -24.902 1.00 0.00 H new ATOM 0 HG LEU A 56 2.232 20.364 -24.825 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.066 18.726 -23.428 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.716 17.992 -24.913 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.541 17.733 -23.357 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.253 20.650 -22.355 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.793 19.762 -22.272 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.715 21.334 -23.104 1.00 0.00 H new ATOM 863 N LEU A 57 3.841 21.139 -27.684 1.00 0.00 N ATOM 864 CA LEU A 57 3.172 22.230 -28.383 1.00 0.00 C ATOM 865 C LEU A 57 2.375 21.717 -29.568 1.00 0.00 C ATOM 866 O LEU A 57 1.257 22.175 -29.790 1.00 0.00 O ATOM 867 CB LEU A 57 4.128 23.358 -28.796 1.00 0.00 C ATOM 868 CG LEU A 57 4.735 24.183 -27.643 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.652 25.247 -28.253 1.00 0.00 C ATOM 870 CD2 LEU A 57 3.644 24.848 -26.779 1.00 0.00 C ATOM 0 H LEU A 57 4.855 21.236 -27.629 1.00 0.00 H new ATOM 0 HA LEU A 57 2.476 22.670 -27.669 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.943 22.923 -29.374 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.593 24.037 -29.460 1.00 0.00 H new ATOM 0 HG LEU A 57 5.298 23.520 -26.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.095 25.845 -27.457 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.443 24.761 -28.825 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.072 25.893 -28.912 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.113 25.420 -25.978 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.045 25.515 -27.399 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.002 24.079 -26.349 1.00 0.00 H new ATOM 882 N GLN A 58 2.920 20.755 -30.310 1.00 0.00 N ATOM 883 CA GLN A 58 2.184 20.182 -31.425 1.00 0.00 C ATOM 884 C GLN A 58 0.950 19.462 -30.877 1.00 0.00 C ATOM 885 O GLN A 58 -0.153 19.634 -31.391 1.00 0.00 O ATOM 886 CB GLN A 58 3.090 19.254 -32.247 1.00 0.00 C ATOM 887 CG GLN A 58 2.378 18.756 -33.510 1.00 0.00 C ATOM 888 CD GLN A 58 3.308 17.903 -34.370 1.00 0.00 C ATOM 889 OE1 GLN A 58 3.976 17.003 -33.868 1.00 0.00 O ATOM 890 NE2 GLN A 58 3.367 18.180 -35.673 1.00 0.00 N ATOM 0 H GLN A 58 3.851 20.365 -30.161 1.00 0.00 H new ATOM 0 HA GLN A 58 1.850 20.966 -32.104 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.001 19.784 -32.526 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.391 18.402 -31.637 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.501 18.173 -33.230 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.022 19.608 -34.090 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.800 18.934 -36.060 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.979 17.638 -36.282 1.00 0.00 H new ATOM 899 N VAL A 59 1.146 18.667 -29.819 1.00 0.00 N ATOM 900 CA VAL A 59 0.077 17.904 -29.187 1.00 0.00 C ATOM 901 C VAL A 59 -1.020 18.778 -28.588 1.00 0.00 C ATOM 902 O VAL A 59 -2.189 18.406 -28.587 1.00 0.00 O ATOM 903 CB VAL A 59 0.654 16.952 -28.114 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.429 17.348 -26.639 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.025 15.618 -28.227 1.00 0.00 C ATOM 0 H VAL A 59 2.057 18.538 -29.379 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.393 17.321 -29.979 1.00 0.00 H new ATOM 0 HB VAL A 59 1.724 16.970 -28.319 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.881 16.599 -25.988 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.887 18.319 -26.449 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.641 17.406 -26.437 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.376 14.940 -27.473 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.097 15.741 -28.071 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.152 15.203 -29.219 1.00 0.00 H new ATOM 915 N LEU A 60 -0.610 19.918 -28.041 1.00 0.00 N ATOM 916 CA LEU A 60 -1.391 20.897 -27.341 1.00 0.00 C ATOM 917 C LEU A 60 -2.081 21.802 -28.357 1.00 0.00 C ATOM 918 O LEU A 60 -3.162 22.296 -28.071 1.00 0.00 O ATOM 919 CB LEU A 60 -0.432 21.542 -26.344 1.00 0.00 C ATOM 920 CG LEU A 60 -0.834 22.860 -25.741 1.00 0.00 C ATOM 921 CD1 LEU A 60 -2.208 22.858 -25.047 1.00 0.00 C ATOM 922 CD2 LEU A 60 0.181 23.110 -24.644 1.00 0.00 C ATOM 0 H LEU A 60 0.371 20.192 -28.089 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.228 20.510 -26.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.270 20.836 -25.530 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.528 21.680 -26.842 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.880 23.598 -26.542 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.413 23.849 -24.643 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.980 22.594 -25.770 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.205 22.129 -24.237 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.041 24.057 -24.151 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.135 22.301 -23.914 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.181 23.152 -25.076 1.00 0.00 H new ATOM 934 N GLN A 61 -1.500 22.005 -29.547 1.00 0.00 N ATOM 935 CA GLN A 61 -2.106 22.850 -30.568 1.00 0.00 C ATOM 936 C GLN A 61 -3.130 22.069 -31.392 1.00 0.00 C ATOM 937 O GLN A 61 -4.188 22.602 -31.722 1.00 0.00 O ATOM 938 CB GLN A 61 -1.014 23.475 -31.459 1.00 0.00 C ATOM 939 CG GLN A 61 -1.547 24.261 -32.670 1.00 0.00 C ATOM 940 CD GLN A 61 -0.452 25.135 -33.274 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.353 24.663 -34.072 1.00 0.00 O ATOM 942 NE2 GLN A 61 -0.417 26.415 -32.903 1.00 0.00 N ATOM 0 H GLN A 61 -0.609 21.591 -29.821 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.643 23.661 -30.076 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.404 24.142 -30.850 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.358 22.682 -31.818 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.922 23.568 -33.423 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.388 24.883 -32.364 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.103 26.772 -32.237 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.295 27.037 -33.285 1.00 0.00 H new ATOM 951 N GLN A 62 -2.815 20.814 -31.732 1.00 0.00 N ATOM 952 CA GLN A 62 -3.681 19.970 -32.545 1.00 0.00 C ATOM 953 C GLN A 62 -4.936 19.547 -31.785 1.00 0.00 C ATOM 954 O GLN A 62 -5.996 19.384 -32.385 1.00 0.00 O ATOM 955 CB GLN A 62 -2.892 18.762 -33.076 1.00 0.00 C ATOM 956 CG GLN A 62 -2.725 17.648 -32.035 1.00 0.00 C ATOM 957 CD GLN A 62 -1.772 16.557 -32.511 1.00 0.00 C ATOM 958 OE1 GLN A 62 -0.568 16.774 -32.603 1.00 0.00 O ATOM 959 NE2 GLN A 62 -2.301 15.369 -32.807 1.00 0.00 N ATOM 0 H GLN A 62 -1.948 20.359 -31.447 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.025 20.552 -33.400 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.401 18.359 -33.952 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.907 19.095 -33.405 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.351 18.075 -31.104 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.698 17.209 -31.816 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.307 15.222 -32.719 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.700 14.607 -33.121 1.00 0.00 H new ATOM 968 N THR A 63 -4.811 19.360 -30.467 1.00 0.00 N ATOM 969 CA THR A 63 -5.918 18.938 -29.625 1.00 0.00 C ATOM 970 C THR A 63 -6.838 20.110 -29.286 1.00 0.00 C ATOM 971 O THR A 63 -8.030 19.900 -29.069 1.00 0.00 O ATOM 972 CB THR A 63 -5.383 18.203 -28.385 1.00 0.00 C ATOM 973 OG1 THR A 63 -6.413 17.484 -27.736 1.00 0.00 O ATOM 974 CG2 THR A 63 -4.753 19.171 -27.388 1.00 0.00 C ATOM 0 H THR A 63 -3.936 19.499 -29.961 1.00 0.00 H new ATOM 0 HA THR A 63 -6.539 18.230 -30.174 1.00 0.00 H new ATOM 0 HB THR A 63 -4.620 17.509 -28.737 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.068 16.618 -27.435 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.386 18.616 -26.524 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.923 19.694 -27.863 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.500 19.896 -27.063 1.00 0.00 H new ATOM 982 N LEU A 64 -6.296 21.335 -29.235 1.00 0.00 N ATOM 983 CA LEU A 64 -7.073 22.524 -28.894 1.00 0.00 C ATOM 984 C LEU A 64 -6.275 23.798 -29.203 1.00 0.00 C ATOM 985 O LEU A 64 -5.143 23.902 -28.748 1.00 0.00 O ATOM 986 CB LEU A 64 -7.422 22.439 -27.392 1.00 0.00 C ATOM 987 CG LEU A 64 -8.006 23.723 -26.776 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.199 23.388 -25.872 1.00 0.00 C ATOM 989 CD2 LEU A 64 -6.947 24.448 -25.935 1.00 0.00 C ATOM 0 H LEU A 64 -5.312 21.524 -29.428 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.986 22.567 -29.488 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.137 21.629 -27.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.521 22.170 -26.842 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.330 24.367 -27.594 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.601 24.307 -25.444 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.972 22.893 -26.459 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.873 22.726 -25.070 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.379 25.353 -25.508 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.609 23.793 -25.132 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.100 24.714 -26.567 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.814 24.787 -29.939 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.102 26.031 -30.217 1.00 0.00 C ATOM 1003 C PRO A 65 -5.961 26.814 -28.898 1.00 0.00 C ATOM 1004 O PRO A 65 -6.973 27.280 -28.380 1.00 0.00 O ATOM 1005 CB PRO A 65 -6.966 26.771 -31.245 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.378 26.246 -30.989 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.141 24.805 -30.538 1.00 0.00 C ATOM 0 HA PRO A 65 -5.096 25.885 -30.611 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.911 27.851 -31.109 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.641 26.561 -32.264 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.891 26.828 -30.223 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.993 26.290 -31.888 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.898 24.491 -29.819 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.198 24.117 -31.382 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.756 26.960 -28.316 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.555 27.642 -27.047 1.00 0.00 C ATOM 1017 C PRO A 66 -4.244 29.133 -27.246 1.00 0.00 C ATOM 1018 O PRO A 66 -3.166 29.467 -27.734 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.407 26.878 -26.374 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.710 26.094 -27.495 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.466 26.466 -28.769 1.00 0.00 C ATOM 0 HA PRO A 66 -5.451 27.638 -26.426 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.714 27.564 -25.887 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.784 26.206 -25.603 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.656 26.364 -27.569 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.752 25.021 -27.311 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.930 27.227 -29.337 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.583 25.603 -29.424 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.142 30.056 -26.856 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.883 31.488 -26.961 1.00 0.00 C ATOM 1031 C PRO A 67 -3.889 31.932 -25.881 1.00 0.00 C ATOM 1032 O PRO A 67 -3.302 33.004 -25.972 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.243 32.154 -26.761 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.967 31.193 -25.821 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.449 29.822 -26.256 1.00 0.00 C ATOM 0 HA PRO A 67 -4.440 31.758 -27.919 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.144 33.147 -26.324 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.776 32.273 -27.704 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.733 31.399 -24.776 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.049 31.266 -25.926 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.372 29.146 -25.404 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.128 29.357 -26.971 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.696 31.093 -24.862 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.769 31.316 -23.765 1.00 0.00 C ATOM 1045 C VAL A 68 -1.357 31.067 -24.271 1.00 0.00 C ATOM 1046 O VAL A 68 -0.473 31.878 -24.028 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.108 30.404 -22.579 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.953 30.410 -21.575 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.403 30.919 -21.946 1.00 0.00 C ATOM 0 H VAL A 68 -4.201 30.211 -24.780 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.848 32.344 -23.411 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.251 29.374 -22.906 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.198 29.761 -20.734 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.047 30.048 -22.061 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.790 31.425 -21.214 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.669 30.288 -21.098 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.259 31.944 -21.605 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.205 30.892 -22.684 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.162 29.949 -24.972 1.00 0.00 N ATOM 1060 CA PHE A 69 0.115 29.552 -25.572 1.00 0.00 C ATOM 1061 C PHE A 69 0.841 30.739 -26.212 1.00 0.00 C ATOM 1062 O PHE A 69 2.019 30.961 -25.944 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.136 28.411 -26.568 1.00 0.00 C ATOM 1064 CG PHE A 69 0.757 28.343 -27.788 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.118 28.026 -27.655 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.215 28.597 -29.064 1.00 0.00 C ATOM 1067 CE1 PHE A 69 2.934 27.961 -28.797 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.033 28.533 -30.203 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.393 28.213 -30.070 1.00 0.00 C ATOM 0 H PHE A 69 -1.908 29.275 -25.143 1.00 0.00 H new ATOM 0 HA PHE A 69 0.783 29.192 -24.789 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.044 27.468 -26.030 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.168 28.483 -26.910 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.536 27.833 -26.678 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.832 28.841 -29.166 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.981 27.716 -28.697 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.617 28.730 -31.180 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.024 28.160 -30.945 1.00 0.00 H new ATOM 1079 N GLN A 70 0.138 31.509 -27.044 1.00 0.00 N ATOM 1080 CA GLN A 70 0.737 32.669 -27.716 1.00 0.00 C ATOM 1081 C GLN A 70 1.211 33.742 -26.721 1.00 0.00 C ATOM 1082 O GLN A 70 2.185 34.443 -26.989 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.170 33.238 -28.815 1.00 0.00 C ATOM 1084 CG GLN A 70 -1.573 33.560 -28.306 1.00 0.00 C ATOM 1085 CD GLN A 70 -2.453 34.130 -29.408 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -3.282 33.426 -29.978 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.274 35.414 -29.712 1.00 0.00 N ATOM 0 H GLN A 70 -0.844 31.353 -27.270 1.00 0.00 H new ATOM 0 HA GLN A 70 1.634 32.308 -28.220 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.282 34.142 -29.222 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.239 32.520 -29.632 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.031 32.656 -27.905 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.508 34.275 -27.486 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.574 35.963 -29.214 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.837 35.848 -30.443 1.00 0.00 H new ATOM 1096 N MET A 71 0.548 33.857 -25.565 1.00 0.00 N ATOM 1097 CA MET A 71 0.907 34.778 -24.499 1.00 0.00 C ATOM 1098 C MET A 71 2.056 34.156 -23.708 1.00 0.00 C ATOM 1099 O MET A 71 2.918 34.875 -23.219 1.00 0.00 O ATOM 1100 CB MET A 71 -0.292 35.122 -23.597 1.00 0.00 C ATOM 1101 CG MET A 71 -1.526 35.625 -24.364 1.00 0.00 C ATOM 1102 SD MET A 71 -2.683 36.645 -23.409 1.00 0.00 S ATOM 1103 CE MET A 71 -3.170 35.473 -22.127 1.00 0.00 C ATOM 0 H MET A 71 -0.274 33.294 -25.346 1.00 0.00 H new ATOM 0 HA MET A 71 1.225 35.728 -24.930 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.569 34.237 -23.024 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.013 35.884 -22.879 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.186 36.202 -25.224 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.066 34.762 -24.752 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.897 35.941 -21.463 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.615 34.592 -22.589 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.292 35.177 -21.553 1.00 0.00 H new ATOM 1113 N LEU A 72 2.112 32.823 -23.606 1.00 0.00 N ATOM 1114 CA LEU A 72 3.210 32.131 -22.952 1.00 0.00 C ATOM 1115 C LEU A 72 4.479 32.484 -23.714 1.00 0.00 C ATOM 1116 O LEU A 72 5.503 32.804 -23.117 1.00 0.00 O ATOM 1117 CB LEU A 72 2.919 30.613 -22.859 1.00 0.00 C ATOM 1118 CG LEU A 72 4.080 29.655 -23.174 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.117 29.609 -22.048 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.522 28.243 -23.361 1.00 0.00 C ATOM 0 H LEU A 72 1.394 32.201 -23.977 1.00 0.00 H new ATOM 0 HA LEU A 72 3.337 32.447 -21.917 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.567 30.398 -21.850 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.098 30.384 -23.538 1.00 0.00 H new ATOM 0 HG LEU A 72 4.569 30.020 -24.077 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.916 28.919 -22.318 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.533 30.605 -21.896 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.640 29.270 -21.128 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.338 27.556 -23.585 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.021 27.926 -22.446 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.809 28.240 -24.185 1.00 0.00 H new ATOM 1132 N LEU A 73 4.395 32.455 -25.043 1.00 0.00 N ATOM 1133 CA LEU A 73 5.543 32.786 -25.871 1.00 0.00 C ATOM 1134 C LEU A 73 5.907 34.257 -25.790 1.00 0.00 C ATOM 1135 O LEU A 73 7.065 34.593 -26.008 1.00 0.00 O ATOM 1136 CB LEU A 73 5.306 32.468 -27.349 1.00 0.00 C ATOM 1137 CG LEU A 73 4.891 31.041 -27.725 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.840 31.030 -29.247 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.831 29.966 -27.179 1.00 0.00 C ATOM 0 H LEU A 73 3.552 32.208 -25.561 1.00 0.00 H new ATOM 0 HA LEU A 73 6.353 32.172 -25.477 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.536 33.146 -27.716 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.222 32.702 -27.891 1.00 0.00 H new ATOM 0 HG LEU A 73 3.929 30.792 -27.277 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.549 30.039 -29.594 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.111 31.764 -29.592 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.823 31.280 -29.646 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.475 28.982 -27.484 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.835 30.127 -27.572 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.854 30.022 -26.091 1.00 0.00 H new ATOM 1151 N THR A 74 4.940 35.128 -25.501 1.00 0.00 N ATOM 1152 CA THR A 74 5.213 36.552 -25.405 1.00 0.00 C ATOM 1153 C THR A 74 5.700 36.921 -24.004 1.00 0.00 C ATOM 1154 O THR A 74 6.386 37.928 -23.843 1.00 0.00 O ATOM 1155 CB THR A 74 4.061 37.406 -25.955 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.574 38.546 -26.618 1.00 0.00 O ATOM 1157 CG2 THR A 74 3.137 37.892 -24.850 1.00 0.00 C ATOM 0 H THR A 74 3.968 34.869 -25.331 1.00 0.00 H new ATOM 0 HA THR A 74 6.044 36.797 -26.066 1.00 0.00 H new ATOM 0 HB THR A 74 3.499 36.772 -26.641 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.832 39.083 -26.966 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.336 38.492 -25.283 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.708 37.035 -24.331 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.703 38.498 -24.143 1.00 0.00 H new ATOM 1165 N LYS A 75 5.356 36.114 -22.990 1.00 0.00 N ATOM 1166 CA LYS A 75 5.750 36.377 -21.618 1.00 0.00 C ATOM 1167 C LYS A 75 7.269 36.291 -21.423 1.00 0.00 C ATOM 1168 O LYS A 75 7.857 37.234 -20.898 1.00 0.00 O ATOM 1169 CB LYS A 75 4.957 35.411 -20.731 1.00 0.00 C ATOM 1170 CG LYS A 75 3.555 35.957 -20.403 1.00 0.00 C ATOM 1171 CD LYS A 75 3.477 36.786 -19.113 1.00 0.00 C ATOM 1172 CE LYS A 75 3.516 35.915 -17.847 1.00 0.00 C ATOM 1173 NZ LYS A 75 3.149 36.691 -16.646 1.00 0.00 N ATOM 0 H LYS A 75 4.799 35.267 -23.107 1.00 0.00 H new ATOM 0 HA LYS A 75 5.512 37.402 -21.335 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.864 34.449 -21.234 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.504 35.235 -19.805 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.215 36.573 -21.236 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.863 35.119 -20.323 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.307 37.493 -19.089 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.558 37.373 -19.118 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.832 35.074 -17.961 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.515 35.498 -17.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.937 36.040 -15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.940 37.310 -16.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.310 37.271 -16.850 1.00 0.00 H new ATOM 1187 N LEU A 76 7.911 35.189 -21.826 1.00 0.00 N ATOM 1188 CA LEU A 76 9.346 35.000 -21.680 1.00 0.00 C ATOM 1189 C LEU A 76 10.226 36.121 -22.300 1.00 0.00 C ATOM 1190 O LEU A 76 10.891 36.833 -21.548 1.00 0.00 O ATOM 1191 CB LEU A 76 9.716 33.557 -22.133 1.00 0.00 C ATOM 1192 CG LEU A 76 9.319 32.335 -21.263 1.00 0.00 C ATOM 1193 CD1 LEU A 76 7.849 31.941 -21.406 1.00 0.00 C ATOM 1194 CD2 LEU A 76 10.162 31.127 -21.693 1.00 0.00 C ATOM 0 H LEU A 76 7.438 34.400 -22.266 1.00 0.00 H new ATOM 0 HA LEU A 76 9.590 35.101 -20.623 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.277 33.406 -23.119 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.798 33.526 -22.257 1.00 0.00 H new ATOM 0 HG LEU A 76 9.493 32.621 -20.226 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.640 31.080 -20.771 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.217 32.777 -21.104 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.640 31.685 -22.445 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.892 30.261 -21.088 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.975 30.908 -22.744 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.219 31.352 -21.552 1.00 0.00 H new ATOM 1206 N PRO A 77 10.289 36.305 -23.629 1.00 0.00 N ATOM 1207 CA PRO A 77 11.126 37.305 -24.289 1.00 0.00 C ATOM 1208 C PRO A 77 10.538 38.725 -24.263 1.00 0.00 C ATOM 1209 O PRO A 77 9.523 39.000 -24.902 1.00 0.00 O ATOM 1210 CB PRO A 77 11.238 36.804 -25.726 1.00 0.00 C ATOM 1211 CG PRO A 77 9.869 36.163 -25.967 1.00 0.00 C ATOM 1212 CD PRO A 77 9.582 35.519 -24.612 1.00 0.00 C ATOM 0 HA PRO A 77 12.083 37.401 -23.776 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.433 37.618 -26.424 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.048 36.084 -25.842 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.114 36.901 -26.237 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.898 35.428 -26.771 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.512 35.510 -24.405 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.919 34.482 -24.596 1.00 0.00 H new ATOM 1220 N THR A 78 11.194 39.645 -23.544 1.00 0.00 N ATOM 1221 CA THR A 78 10.766 41.037 -23.432 1.00 0.00 C ATOM 1222 C THR A 78 11.247 41.862 -24.632 1.00 0.00 C ATOM 1223 O THR A 78 10.520 42.708 -25.149 1.00 0.00 O ATOM 1224 CB THR A 78 11.306 41.633 -22.119 1.00 0.00 C ATOM 1225 OG1 THR A 78 11.026 40.763 -21.041 1.00 0.00 O ATOM 1226 CG2 THR A 78 10.688 43.004 -21.820 1.00 0.00 C ATOM 0 H THR A 78 12.044 39.437 -23.020 1.00 0.00 H new ATOM 0 HA THR A 78 9.676 41.069 -23.425 1.00 0.00 H new ATOM 0 HB THR A 78 12.383 41.756 -22.238 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.374 41.149 -20.210 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.095 43.391 -20.886 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.923 43.694 -22.631 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.606 42.904 -21.731 1.00 0.00 H new ATOM 1234 N ILE A 79 12.489 41.623 -25.066 1.00 0.00 N ATOM 1235 CA ILE A 79 13.103 42.348 -26.167 1.00 0.00 C ATOM 1236 C ILE A 79 12.367 42.063 -27.467 1.00 0.00 C ATOM 1237 O ILE A 79 12.001 42.991 -28.186 1.00 0.00 O ATOM 1238 CB ILE A 79 14.611 42.033 -26.276 1.00 0.00 C ATOM 1239 CG1 ILE A 79 15.414 42.402 -25.012 1.00 0.00 C ATOM 1240 CG2 ILE A 79 15.213 42.800 -27.465 1.00 0.00 C ATOM 1241 CD1 ILE A 79 15.295 41.399 -23.861 1.00 0.00 C ATOM 0 H ILE A 79 13.096 40.914 -24.655 1.00 0.00 H new ATOM 0 HA ILE A 79 13.019 43.416 -25.965 1.00 0.00 H new ATOM 0 HB ILE A 79 14.685 40.954 -26.410 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.465 42.501 -25.282 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.082 43.379 -24.660 1.00 0.00 H new ATOM 0 HG21 ILE A 79 16.277 42.577 -27.541 1.00 0.00 H new ATOM 0 HG22 ILE A 79 14.712 42.497 -28.385 1.00 0.00 H new ATOM 0 HG23 ILE A 79 15.077 43.871 -27.314 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.893 41.742 -23.016 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.252 41.316 -23.557 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.656 40.424 -24.189 1.00 0.00 H new ATOM 1253 N SER A 80 12.153 40.777 -27.752 1.00 0.00 N ATOM 1254 CA SER A 80 11.460 40.338 -28.957 1.00 0.00 C ATOM 1255 C SER A 80 10.123 41.067 -29.074 1.00 0.00 C ATOM 1256 O SER A 80 9.811 41.643 -30.116 1.00 0.00 O ATOM 1257 CB SER A 80 11.264 38.819 -28.956 1.00 0.00 C ATOM 1258 OG SER A 80 10.807 38.393 -30.222 1.00 0.00 O ATOM 0 H SER A 80 12.457 40.012 -27.150 1.00 0.00 H new ATOM 0 HA SER A 80 12.071 40.585 -29.825 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.203 38.322 -28.713 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.546 38.537 -28.186 1.00 0.00 H new ATOM 0 HG SER A 80 10.685 37.421 -30.216 1.00 0.00 H new ATOM 1264 N GLN A 81 9.360 41.052 -27.974 1.00 0.00 N ATOM 1265 CA GLN A 81 8.077 41.722 -27.875 1.00 0.00 C ATOM 1266 C GLN A 81 8.210 43.180 -28.314 1.00 0.00 C ATOM 1267 O GLN A 81 7.412 43.664 -29.111 1.00 0.00 O ATOM 1268 CB GLN A 81 7.514 41.535 -26.456 1.00 0.00 C ATOM 1269 CG GLN A 81 6.260 42.371 -26.160 1.00 0.00 C ATOM 1270 CD GLN A 81 6.594 43.778 -25.664 1.00 0.00 C ATOM 1271 OE1 GLN A 81 6.299 44.765 -26.332 1.00 0.00 O ATOM 1272 NE2 GLN A 81 7.213 43.879 -24.487 1.00 0.00 N ATOM 0 H GLN A 81 9.629 40.564 -27.120 1.00 0.00 H new ATOM 0 HA GLN A 81 7.351 41.277 -28.555 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.278 40.481 -26.307 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.288 41.793 -25.733 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.654 42.443 -27.063 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.656 41.860 -25.411 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.443 43.038 -23.958 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.456 44.797 -24.116 1.00 0.00 H new ATOM 1281 N ARG A 82 9.233 43.865 -27.802 1.00 0.00 N ATOM 1282 CA ARG A 82 9.476 45.263 -28.136 1.00 0.00 C ATOM 1283 C ARG A 82 9.732 45.480 -29.633 1.00 0.00 C ATOM 1284 O ARG A 82 9.212 46.447 -30.188 1.00 0.00 O ATOM 1285 CB ARG A 82 10.589 45.868 -27.266 1.00 0.00 C ATOM 1286 CG ARG A 82 10.617 47.397 -27.417 1.00 0.00 C ATOM 1287 CD ARG A 82 11.608 48.037 -26.440 1.00 0.00 C ATOM 1288 NE ARG A 82 11.586 49.501 -26.568 1.00 0.00 N ATOM 1289 CZ ARG A 82 12.235 50.359 -25.763 1.00 0.00 C ATOM 1290 NH1 ARG A 82 12.999 49.905 -24.760 1.00 0.00 N ATOM 1291 NH2 ARG A 82 12.119 51.678 -25.966 1.00 0.00 N ATOM 0 H ARG A 82 9.909 43.468 -27.150 1.00 0.00 H new ATOM 0 HA ARG A 82 8.556 45.801 -27.907 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.427 45.602 -26.221 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.553 45.450 -27.556 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.891 47.658 -28.439 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.619 47.800 -27.242 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.356 47.752 -25.419 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.613 47.664 -26.636 1.00 0.00 H new ATOM 0 HE ARG A 82 11.034 49.897 -27.329 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.091 48.901 -24.603 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.488 50.563 -24.153 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.540 52.028 -26.729 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.610 52.333 -25.357 1.00 0.00 H new ATOM 1305 N ILE A 83 10.517 44.617 -30.300 1.00 0.00 N ATOM 1306 CA ILE A 83 10.799 44.801 -31.723 1.00 0.00 C ATOM 1307 C ILE A 83 9.502 44.669 -32.508 1.00 0.00 C ATOM 1308 O ILE A 83 9.179 45.525 -33.328 1.00 0.00 O ATOM 1309 CB ILE A 83 11.810 43.778 -32.286 1.00 0.00 C ATOM 1310 CG1 ILE A 83 12.955 43.405 -31.357 1.00 0.00 C ATOM 1311 CG2 ILE A 83 12.343 44.188 -33.671 1.00 0.00 C ATOM 1312 CD1 ILE A 83 13.685 44.544 -30.659 1.00 0.00 C ATOM 0 H ILE A 83 10.959 43.799 -29.880 1.00 0.00 H new ATOM 0 HA ILE A 83 11.241 45.792 -31.828 1.00 0.00 H new ATOM 0 HB ILE A 83 11.218 42.868 -32.387 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.564 42.735 -30.591 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.686 42.838 -31.933 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.050 43.438 -34.025 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.512 44.264 -34.373 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.844 45.153 -33.597 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.476 44.137 -30.029 1.00 0.00 H new ATOM 0 HD12 ILE A 83 14.121 45.208 -31.405 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.981 45.103 -30.042 1.00 0.00 H new ATOM 1324 N VAL A 84 8.774 43.576 -32.246 1.00 0.00 N ATOM 1325 CA VAL A 84 7.508 43.298 -32.917 1.00 0.00 C ATOM 1326 C VAL A 84 6.529 44.451 -32.715 1.00 0.00 C ATOM 1327 O VAL A 84 5.874 44.881 -33.662 1.00 0.00 O ATOM 1328 CB VAL A 84 6.935 41.933 -32.495 1.00 0.00 C ATOM 1329 CG1 VAL A 84 5.596 41.651 -33.192 1.00 0.00 C ATOM 1330 CG2 VAL A 84 7.897 40.782 -32.827 1.00 0.00 C ATOM 0 H VAL A 84 9.048 42.866 -31.566 1.00 0.00 H new ATOM 0 HA VAL A 84 7.689 43.225 -33.989 1.00 0.00 H new ATOM 0 HB VAL A 84 6.790 41.986 -31.416 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.217 40.680 -32.873 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.877 42.426 -32.926 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.742 41.647 -34.272 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.455 39.836 -32.513 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.079 40.759 -33.901 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.840 40.933 -32.302 1.00 0.00 H new ATOM 1340 N SER A 85 6.454 44.977 -31.494 1.00 0.00 N ATOM 1341 CA SER A 85 5.613 46.110 -31.146 1.00 0.00 C ATOM 1342 C SER A 85 6.284 47.430 -31.558 1.00 0.00 C ATOM 1343 O SER A 85 6.284 48.392 -30.794 1.00 0.00 O ATOM 1344 CB SER A 85 5.297 46.075 -29.650 1.00 0.00 C ATOM 1345 OG SER A 85 4.614 44.879 -29.325 1.00 0.00 O ATOM 0 H SER A 85 6.990 44.616 -30.705 1.00 0.00 H new ATOM 0 HA SER A 85 4.673 46.045 -31.693 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.220 46.144 -29.074 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.687 46.937 -29.379 1.00 0.00 H new ATOM 0 HG SER A 85 5.265 44.167 -29.152 1.00 0.00 H new ATOM 1351 N ALA A 86 6.845 47.458 -32.771 1.00 0.00 N ATOM 1352 CA ALA A 86 7.543 48.558 -33.423 1.00 0.00 C ATOM 1353 C ALA A 86 7.961 48.050 -34.807 1.00 0.00 C ATOM 1354 O ALA A 86 7.450 47.022 -35.253 1.00 0.00 O ATOM 1355 CB ALA A 86 8.757 49.000 -32.587 1.00 0.00 C ATOM 0 H ALA A 86 6.816 46.634 -33.371 1.00 0.00 H new ATOM 0 HA ALA A 86 6.904 49.435 -33.519 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.265 49.822 -33.090 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.421 49.329 -31.603 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.445 48.163 -32.474 1.00 0.00 H new ATOM 1361 N GLN A 87 8.872 48.761 -35.491 1.00 0.00 N ATOM 1362 CA GLN A 87 9.363 48.393 -36.829 1.00 0.00 C ATOM 1363 C GLN A 87 8.178 48.054 -37.745 1.00 0.00 C ATOM 1364 O GLN A 87 8.187 47.065 -38.475 1.00 0.00 O ATOM 1365 CB GLN A 87 10.372 47.240 -36.681 1.00 0.00 C ATOM 1366 CG GLN A 87 11.246 47.041 -37.927 1.00 0.00 C ATOM 1367 CD GLN A 87 12.288 45.948 -37.703 1.00 0.00 C ATOM 1368 OE1 GLN A 87 13.485 46.218 -37.687 1.00 0.00 O ATOM 1369 NE2 GLN A 87 11.839 44.705 -37.530 1.00 0.00 N ATOM 0 H GLN A 87 9.293 49.616 -35.127 1.00 0.00 H new ATOM 0 HA GLN A 87 9.883 49.226 -37.302 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.014 47.435 -35.822 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.832 46.317 -36.472 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.617 46.778 -38.777 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.745 47.977 -38.177 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.837 44.518 -37.549 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.498 43.941 -37.378 1.00 0.00 H new ATOM 1378 N SER A 88 7.142 48.893 -37.665 1.00 0.00 N ATOM 1379 CA SER A 88 5.884 48.768 -38.385 1.00 0.00 C ATOM 1380 C SER A 88 5.077 50.045 -38.144 1.00 0.00 C ATOM 1381 O SER A 88 4.546 50.636 -39.081 1.00 0.00 O ATOM 1382 CB SER A 88 5.124 47.526 -37.893 1.00 0.00 C ATOM 1383 OG SER A 88 3.878 47.418 -38.547 1.00 0.00 O ATOM 0 H SER A 88 7.165 49.717 -37.065 1.00 0.00 H new ATOM 0 HA SER A 88 6.057 48.644 -39.454 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.718 46.631 -38.079 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.972 47.589 -36.816 1.00 0.00 H new ATOM 0 HG SER A 88 3.407 46.622 -38.224 1.00 0.00 H new ATOM 1389 N LEU A 89 5.016 50.489 -36.880 1.00 0.00 N ATOM 1390 CA LEU A 89 4.309 51.694 -36.452 1.00 0.00 C ATOM 1391 C LEU A 89 5.100 52.981 -36.719 1.00 0.00 C ATOM 1392 O LEU A 89 4.930 53.985 -36.033 1.00 0.00 O ATOM 1393 CB LEU A 89 3.816 51.526 -35.000 1.00 0.00 C ATOM 1394 CG LEU A 89 4.861 51.560 -33.865 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.839 52.871 -33.063 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.536 50.437 -32.869 1.00 0.00 C ATOM 0 H LEU A 89 5.472 50.002 -36.109 1.00 0.00 H new ATOM 0 HA LEU A 89 3.421 51.818 -37.072 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.086 52.311 -34.804 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.287 50.575 -34.936 1.00 0.00 H new ATOM 0 HG LEU A 89 5.838 51.452 -34.336 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.597 52.832 -32.280 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.048 53.708 -33.729 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.856 53.004 -32.610 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.266 50.446 -32.059 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.538 50.591 -32.460 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.574 49.475 -33.380 1.00 0.00 H new ATOM 1408 N GLY A 90 5.957 52.942 -37.738 1.00 0.00 N ATOM 1409 CA GLY A 90 6.794 54.045 -38.178 1.00 0.00 C ATOM 1410 C GLY A 90 6.141 54.777 -39.349 1.00 0.00 C ATOM 1411 O GLY A 90 4.918 54.890 -39.409 1.00 0.00 O ATOM 0 H GLY A 90 6.089 52.102 -38.301 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.956 54.738 -37.353 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.773 53.670 -38.476 1.00 0.00 H new ATOM 1415 N GLU A 91 6.969 55.265 -40.280 1.00 0.00 N ATOM 1416 CA GLU A 91 6.551 55.986 -41.474 1.00 0.00 C ATOM 1417 C GLU A 91 7.648 55.793 -42.532 1.00 0.00 C ATOM 1418 O GLU A 91 8.799 55.556 -42.161 1.00 0.00 O ATOM 1419 CB GLU A 91 6.333 57.464 -41.106 1.00 0.00 C ATOM 1420 CG GLU A 91 5.676 58.279 -42.226 1.00 0.00 C ATOM 1421 CD GLU A 91 5.321 59.680 -41.741 1.00 0.00 C ATOM 1422 OE1 GLU A 91 6.263 60.400 -41.348 1.00 0.00 O ATOM 1423 OE2 GLU A 91 4.113 60.003 -41.762 1.00 0.00 O ATOM 0 H GLU A 91 7.982 55.162 -40.215 1.00 0.00 H new ATOM 0 HA GLU A 91 5.610 55.614 -41.880 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.711 57.521 -40.213 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.294 57.914 -40.855 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.352 58.345 -43.078 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.776 57.770 -42.572 1.00 0.00 H new ATOM 1430 N ASP A 92 7.304 55.873 -43.828 1.00 0.00 N ATOM 1431 CA ASP A 92 8.223 55.696 -44.950 1.00 0.00 C ATOM 1432 C ASP A 92 8.351 57.013 -45.729 1.00 0.00 C ATOM 1433 O ASP A 92 7.516 57.903 -45.562 1.00 0.00 O ATOM 1434 CB ASP A 92 7.683 54.560 -45.834 1.00 0.00 C ATOM 1435 CG ASP A 92 8.621 54.168 -46.974 1.00 0.00 C ATOM 1436 OD1 ASP A 92 9.840 54.395 -46.821 1.00 0.00 O ATOM 1437 OD2 ASP A 92 8.096 53.625 -47.968 1.00 0.00 O ATOM 0 H ASP A 92 6.348 56.069 -44.126 1.00 0.00 H new ATOM 0 HA ASP A 92 9.220 55.429 -44.600 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.497 53.685 -45.212 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.723 54.863 -46.253 1.00 0.00 H new ATOM 1442 N ASP A 93 9.382 57.149 -46.574 1.00 0.00 N ATOM 1443 CA ASP A 93 9.629 58.341 -47.380 1.00 0.00 C ATOM 1444 C ASP A 93 9.120 58.153 -48.812 1.00 0.00 C ATOM 1445 O ASP A 93 8.561 57.112 -49.155 1.00 0.00 O ATOM 1446 CB ASP A 93 11.118 58.720 -47.332 1.00 0.00 C ATOM 1447 CG ASP A 93 12.008 57.749 -48.102 1.00 0.00 C ATOM 1448 OD1 ASP A 93 12.118 57.933 -49.334 1.00 0.00 O ATOM 1449 OD2 ASP A 93 12.581 56.858 -47.439 1.00 0.00 O ATOM 0 H ASP A 93 10.078 56.417 -46.715 1.00 0.00 H new ATOM 0 HA ASP A 93 9.067 59.174 -46.957 1.00 0.00 H new ATOM 0 HB2 ASP A 93 11.245 59.722 -47.741 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.444 58.756 -46.293 1.00 0.00 H new ATOM 1454 N VAL A 94 9.312 59.181 -49.646 1.00 0.00 N ATOM 1455 CA VAL A 94 8.916 59.211 -51.045 1.00 0.00 C ATOM 1456 C VAL A 94 10.023 59.938 -51.811 1.00 0.00 C ATOM 1457 O VAL A 94 10.511 60.968 -51.345 1.00 0.00 O ATOM 1458 CB VAL A 94 7.558 59.922 -51.209 1.00 0.00 C ATOM 1459 CG1 VAL A 94 7.155 60.008 -52.689 1.00 0.00 C ATOM 1460 CG2 VAL A 94 6.443 59.194 -50.444 1.00 0.00 C ATOM 0 H VAL A 94 9.765 60.044 -49.347 1.00 0.00 H new ATOM 0 HA VAL A 94 8.789 58.202 -51.436 1.00 0.00 H new ATOM 0 HB VAL A 94 7.681 60.925 -50.800 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.193 60.514 -52.775 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.911 60.568 -53.240 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.075 59.003 -53.103 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.501 59.724 -50.583 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.346 58.176 -50.823 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.690 59.164 -49.383 1.00 0.00 H new ATOM 1470 N GLU A 95 10.402 59.401 -52.975 1.00 0.00 N ATOM 1471 CA GLU A 95 11.425 59.963 -53.841 1.00 0.00 C ATOM 1472 C GLU A 95 10.778 61.012 -54.751 1.00 0.00 C ATOM 1473 O GLU A 95 11.123 62.201 -54.573 1.00 0.00 O ATOM 1474 CB GLU A 95 12.077 58.826 -54.644 1.00 0.00 C ATOM 1475 CG GLU A 95 13.307 59.298 -55.428 1.00 0.00 C ATOM 1476 CD GLU A 95 13.968 58.138 -56.166 1.00 0.00 C ATOM 1477 OE1 GLU A 95 13.463 57.793 -57.256 1.00 0.00 O ATOM 1478 OE2 GLU A 95 14.964 57.609 -55.626 1.00 0.00 O ATOM 1479 OXT GLU A 95 9.749 60.656 -55.365 1.00 0.00 O ATOM 0 H GLU A 95 9.992 58.543 -53.344 1.00 0.00 H new ATOM 0 HA GLU A 95 12.206 60.455 -53.262 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.368 58.025 -53.965 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.346 58.408 -55.336 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.013 60.067 -56.142 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.024 59.754 -54.745 1.00 0.00 H new TER 1486 GLU A 95 ATOM 1487 N GLY B 1 -13.299 21.893 -14.393 1.00 0.00 N ATOM 1488 CA GLY B 1 -13.459 20.612 -15.104 1.00 0.00 C ATOM 1489 C GLY B 1 -12.109 20.033 -15.534 1.00 0.00 C ATOM 1490 O GLY B 1 -11.100 20.728 -15.439 1.00 0.00 O ATOM 0 H1 GLY B 1 -14.236 22.298 -14.191 1.00 0.00 H new ATOM 0 H2 GLY B 1 -12.791 21.733 -13.500 1.00 0.00 H new ATOM 0 H3 GLY B 1 -12.757 22.554 -14.986 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -13.972 19.899 -14.459 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -14.089 20.759 -15.982 1.00 0.00 H new ATOM 1496 N PRO B 2 -12.086 18.770 -15.998 1.00 0.00 N ATOM 1497 CA PRO B 2 -10.877 18.087 -16.434 1.00 0.00 C ATOM 1498 C PRO B 2 -10.391 18.671 -17.767 1.00 0.00 C ATOM 1499 O PRO B 2 -9.669 19.663 -17.754 1.00 0.00 O ATOM 1500 CB PRO B 2 -11.256 16.601 -16.482 1.00 0.00 C ATOM 1501 CG PRO B 2 -12.758 16.610 -16.780 1.00 0.00 C ATOM 1502 CD PRO B 2 -13.248 17.900 -16.116 1.00 0.00 C ATOM 0 HA PRO B 2 -10.028 18.219 -15.764 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -10.699 16.072 -17.255 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -11.040 16.103 -15.537 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -12.954 16.611 -17.852 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -13.254 15.732 -16.366 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -14.027 18.372 -16.714 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -13.679 17.693 -15.136 1.00 0.00 H new ATOM 1510 N ARG B 3 -10.783 18.068 -18.902 1.00 0.00 N ATOM 1511 CA ARG B 3 -10.424 18.489 -20.255 1.00 0.00 C ATOM 1512 C ARG B 3 -8.908 18.459 -20.517 1.00 0.00 C ATOM 1513 O ARG B 3 -8.121 18.084 -19.646 1.00 0.00 O ATOM 1514 CB ARG B 3 -11.074 19.845 -20.593 1.00 0.00 C ATOM 1515 CG ARG B 3 -12.576 19.732 -20.861 1.00 0.00 C ATOM 1516 CD ARG B 3 -13.077 21.084 -21.382 1.00 0.00 C ATOM 1517 NE ARG B 3 -14.482 21.017 -21.801 1.00 0.00 N ATOM 1518 CZ ARG B 3 -15.137 22.024 -22.405 1.00 0.00 C ATOM 1519 NH1 ARG B 3 -14.519 23.191 -22.629 1.00 0.00 N ATOM 1520 NH2 ARG B 3 -16.412 21.856 -22.783 1.00 0.00 N ATOM 0 H ARG B 3 -11.382 17.242 -18.895 1.00 0.00 H new ATOM 0 HA ARG B 3 -10.834 17.752 -20.946 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -10.908 20.538 -19.768 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -10.584 20.269 -21.469 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -12.773 18.947 -21.591 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -13.105 19.458 -19.948 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -12.965 21.838 -20.603 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -12.461 21.401 -22.224 1.00 0.00 H new ATOM 0 HE ARG B 3 -14.993 20.153 -21.623 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -13.549 23.318 -22.341 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -15.019 23.953 -23.087 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -16.882 20.967 -22.612 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -16.913 22.617 -23.241 1.00 0.00 H new ATOM 1534 N LEU B 4 -8.519 18.836 -21.748 1.00 0.00 N ATOM 1535 CA LEU B 4 -7.158 18.911 -22.275 1.00 0.00 C ATOM 1536 C LEU B 4 -6.264 17.793 -21.738 1.00 0.00 C ATOM 1537 O LEU B 4 -5.155 18.024 -21.266 1.00 0.00 O ATOM 1538 CB LEU B 4 -6.629 20.342 -22.058 1.00 0.00 C ATOM 1539 CG LEU B 4 -5.402 20.839 -22.849 1.00 0.00 C ATOM 1540 CD1 LEU B 4 -4.095 20.767 -22.063 1.00 0.00 C ATOM 1541 CD2 LEU B 4 -5.227 20.132 -24.191 1.00 0.00 C ATOM 0 H LEU B 4 -9.206 19.116 -22.448 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.154 18.727 -23.349 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -7.450 21.027 -22.270 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -6.394 20.444 -20.998 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.623 21.890 -23.037 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -3.277 21.133 -22.683 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.175 21.383 -21.167 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -3.899 19.734 -21.776 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -4.347 20.527 -24.698 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -5.101 19.062 -24.025 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.108 20.302 -24.809 1.00 0.00 H new ATOM 1553 N SER B 5 -6.770 16.559 -21.819 1.00 0.00 N ATOM 1554 CA SER B 5 -6.078 15.364 -21.361 1.00 0.00 C ATOM 1555 C SER B 5 -6.362 14.147 -22.245 1.00 0.00 C ATOM 1556 O SER B 5 -5.933 13.041 -21.924 1.00 0.00 O ATOM 1557 CB SER B 5 -6.367 15.132 -19.877 1.00 0.00 C ATOM 1558 OG SER B 5 -7.751 15.244 -19.612 1.00 0.00 O ATOM 0 H SER B 5 -7.691 16.365 -22.213 1.00 0.00 H new ATOM 0 HA SER B 5 -5.004 15.522 -21.459 1.00 0.00 H new ATOM 0 HB2 SER B 5 -6.015 14.143 -19.583 1.00 0.00 H new ATOM 0 HB3 SER B 5 -5.817 15.857 -19.277 1.00 0.00 H new ATOM 0 HG SER B 5 -8.006 16.190 -19.596 1.00 0.00 H new ATOM 1564 N ARG B 6 -7.059 14.343 -23.372 1.00 0.00 N ATOM 1565 CA ARG B 6 -7.370 13.281 -24.314 1.00 0.00 C ATOM 1566 C ARG B 6 -6.057 12.734 -24.870 1.00 0.00 C ATOM 1567 O ARG B 6 -5.779 11.542 -24.749 1.00 0.00 O ATOM 1568 CB ARG B 6 -8.299 13.836 -25.406 1.00 0.00 C ATOM 1569 CG ARG B 6 -8.929 12.766 -26.310 1.00 0.00 C ATOM 1570 CD ARG B 6 -8.002 12.233 -27.411 1.00 0.00 C ATOM 1571 NE ARG B 6 -8.757 11.393 -28.352 1.00 0.00 N ATOM 1572 CZ ARG B 6 -8.260 10.844 -29.472 1.00 0.00 C ATOM 1573 NH1 ARG B 6 -6.978 11.035 -29.809 1.00 0.00 N ATOM 1574 NH2 ARG B 6 -9.053 10.100 -30.254 1.00 0.00 N ATOM 0 H ARG B 6 -7.422 15.255 -23.650 1.00 0.00 H new ATOM 0 HA ARG B 6 -7.898 12.456 -23.835 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -9.096 14.408 -24.931 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -7.734 14.532 -26.027 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -9.253 11.930 -25.690 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -9.822 13.183 -26.776 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -7.543 13.066 -27.944 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -7.192 11.655 -26.966 1.00 0.00 H new ATOM 0 HE ARG B 6 -9.738 11.213 -28.137 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -6.373 11.600 -29.213 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -6.607 10.615 -30.661 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -10.029 9.953 -29.998 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -8.681 9.681 -31.106 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.244 13.618 -25.464 1.00 0.00 N ATOM 1589 CA LEU B 7 -3.956 13.262 -26.032 1.00 0.00 C ATOM 1590 C LEU B 7 -3.062 12.563 -25.027 1.00 0.00 C ATOM 1591 O LEU B 7 -2.403 11.610 -25.404 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.271 14.450 -26.742 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.784 15.703 -25.974 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.830 16.437 -25.143 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.516 15.484 -25.138 1.00 0.00 C ATOM 0 H LEU B 7 -5.473 14.607 -25.560 1.00 0.00 H new ATOM 0 HA LEU B 7 -4.149 12.531 -26.817 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.403 14.045 -27.263 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.965 14.801 -27.505 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.539 16.363 -26.807 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.369 17.295 -24.654 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.636 16.779 -25.792 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.234 15.762 -24.388 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.247 16.413 -24.635 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.700 14.708 -24.394 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.699 15.175 -25.790 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.032 13.011 -23.770 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.144 12.451 -22.757 1.00 0.00 C ATOM 1609 C LEU B 8 -2.398 10.969 -22.469 1.00 0.00 C ATOM 1610 O LEU B 8 -1.552 10.321 -21.859 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.086 13.307 -21.492 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.448 14.719 -21.575 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.062 14.779 -22.237 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.429 15.789 -22.062 1.00 0.00 C ATOM 0 H LEU B 8 -3.622 13.770 -23.429 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.145 12.484 -23.193 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.106 13.426 -21.127 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.541 12.742 -20.736 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.224 14.975 -20.539 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.293 15.809 -22.244 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.636 14.158 -21.676 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.132 14.412 -23.261 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.925 16.755 -22.099 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.787 15.528 -23.058 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.274 15.847 -21.376 1.00 0.00 H new ATOM 1626 N SER B 9 -3.518 10.408 -22.943 1.00 0.00 N ATOM 1627 CA SER B 9 -3.798 8.985 -22.804 1.00 0.00 C ATOM 1628 C SER B 9 -2.785 8.158 -23.619 1.00 0.00 C ATOM 1629 O SER B 9 -2.673 6.950 -23.429 1.00 0.00 O ATOM 1630 CB SER B 9 -5.223 8.697 -23.291 1.00 0.00 C ATOM 1631 OG SER B 9 -6.146 9.597 -22.713 1.00 0.00 O ATOM 0 H SER B 9 -4.247 10.929 -23.430 1.00 0.00 H new ATOM 0 HA SER B 9 -3.709 8.704 -21.755 1.00 0.00 H new ATOM 0 HB2 SER B 9 -5.263 8.777 -24.377 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.499 7.674 -23.036 1.00 0.00 H new ATOM 0 HG SER B 9 -6.203 10.405 -23.264 1.00 0.00 H new ATOM 1637 N TYR B 10 -2.057 8.817 -24.534 1.00 0.00 N ATOM 1638 CA TYR B 10 -1.055 8.250 -25.423 1.00 0.00 C ATOM 1639 C TYR B 10 0.273 7.890 -24.744 1.00 0.00 C ATOM 1640 O TYR B 10 1.174 7.403 -25.426 1.00 0.00 O ATOM 1641 CB TYR B 10 -0.797 9.270 -26.553 1.00 0.00 C ATOM 1642 CG TYR B 10 -0.027 10.560 -26.237 1.00 0.00 C ATOM 1643 CD1 TYR B 10 0.251 10.991 -24.918 1.00 0.00 C ATOM 1644 CD2 TYR B 10 0.407 11.363 -27.307 1.00 0.00 C ATOM 1645 CE1 TYR B 10 0.958 12.177 -24.675 1.00 0.00 C ATOM 1646 CE2 TYR B 10 1.116 12.550 -27.063 1.00 0.00 C ATOM 1647 CZ TYR B 10 1.399 12.958 -25.750 1.00 0.00 C ATOM 1648 OH TYR B 10 2.085 14.114 -25.512 1.00 0.00 O ATOM 0 H TYR B 10 -2.166 9.821 -24.674 1.00 0.00 H new ATOM 0 HA TYR B 10 -1.453 7.306 -25.795 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -0.257 8.752 -27.346 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -1.765 9.558 -26.962 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -0.088 10.395 -24.083 1.00 0.00 H new ATOM 0 HD2 TYR B 10 0.194 11.065 -28.323 1.00 0.00 H new ATOM 0 HE1 TYR B 10 1.162 12.487 -23.661 1.00 0.00 H new ATOM 0 HE2 TYR B 10 1.447 13.155 -27.894 1.00 0.00 H new ATOM 0 HH TYR B 10 2.320 14.536 -26.365 1.00 0.00 H new ATOM 1658 N ALA B 11 0.430 8.160 -23.442 1.00 0.00 N ATOM 1659 CA ALA B 11 1.684 7.946 -22.736 1.00 0.00 C ATOM 1660 C ALA B 11 1.455 7.863 -21.223 1.00 0.00 C ATOM 1661 O ALA B 11 2.477 7.892 -20.501 1.00 0.00 O ATOM 1662 CB ALA B 11 2.607 9.122 -23.093 1.00 0.00 C ATOM 1663 OXT ALA B 11 0.285 8.024 -20.811 1.00 0.00 O ATOM 0 H ALA B 11 -0.315 8.534 -22.854 1.00 0.00 H new ATOM 0 HA ALA B 11 2.137 7.000 -23.033 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.563 9.002 -22.583 1.00 0.00 H new ATOM 0 HB2 ALA B 11 2.770 9.142 -24.170 1.00 0.00 H new ATOM 0 HB3 ALA B 11 2.143 10.057 -22.779 1.00 0.00 H new TER 1669 ALA B 11