USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 60 TYR OH : rot 166:sc= 0.781 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -152:sc= 1.02 (180deg=-0.0812) USER MOD Set 2.1: A 42 ASN : amide:sc= 0.0897 K(o=0.19,f=-3.1) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 143:sc= 0.0961 (180deg=0) USER MOD Set 3.1: A 47 MET CE :methyl -164:sc= -0.0435 (180deg=-0.377) USER MOD Set 3.2: A 50 CYS SG : rot 33:sc= -0.441! USER MOD Set 4.1: A 25 GLN : amide:sc= 0.99 K(o=2.3,f=-7.4!) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 180:sc= 1.29 (180deg=0) USER MOD Single : A 3 TYR OH : rot -164:sc= 1.27 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0629) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.11) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= -0.0218 (180deg=-0.0323) USER MOD Single : A 36 SER OG : rot -103:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= -1.83! (180deg=-4.07!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -150:sc= -0.527 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.0333 USER MOD Single : A 65 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.57) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 90:sc= -1.01 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 10.038 12.940 -4.187 1.00 0.00 N ATOM 19 CA ALA A 2 8.855 12.139 -4.339 1.00 0.00 C ATOM 20 C ALA A 2 9.222 10.834 -4.978 1.00 0.00 C ATOM 21 O ALA A 2 10.272 10.719 -5.615 1.00 0.00 O ATOM 22 CB ALA A 2 7.804 12.859 -5.165 1.00 0.00 C ATOM 0 HA ALA A 2 8.426 11.956 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.921 12.227 -5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.530 13.792 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.205 13.076 -6.155 1.00 0.00 H new ATOM 28 N TYR A 3 8.393 9.863 -4.802 1.00 0.00 N ATOM 29 CA TYR A 3 8.637 8.549 -5.330 1.00 0.00 C ATOM 30 C TYR A 3 7.564 8.219 -6.342 1.00 0.00 C ATOM 31 O TYR A 3 6.597 8.976 -6.504 1.00 0.00 O ATOM 32 CB TYR A 3 8.614 7.496 -4.205 1.00 0.00 C ATOM 33 CG TYR A 3 9.718 7.594 -3.147 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.964 8.774 -2.452 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.486 6.483 -2.825 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.934 8.848 -1.482 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.455 6.549 -1.842 1.00 0.00 C ATOM 38 CZ TYR A 3 11.673 7.733 -1.176 1.00 0.00 C ATOM 39 OH TYR A 3 12.621 7.795 -0.185 1.00 0.00 O ATOM 0 H TYR A 3 7.518 9.951 -4.285 1.00 0.00 H new ATOM 0 HA TYR A 3 9.620 8.535 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.651 7.560 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.668 6.508 -4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.379 9.652 -2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.324 5.554 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.114 9.778 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.039 5.674 -1.597 1.00 0.00 H new ATOM 0 HH TYR A 3 13.222 7.024 -0.258 1.00 0.00 H new ATOM 49 N PHE A 4 7.737 7.124 -7.021 1.00 0.00 N ATOM 50 CA PHE A 4 6.743 6.634 -7.941 1.00 0.00 C ATOM 51 C PHE A 4 5.766 5.773 -7.165 1.00 0.00 C ATOM 52 O PHE A 4 6.104 5.284 -6.102 1.00 0.00 O ATOM 53 CB PHE A 4 7.401 5.810 -9.060 1.00 0.00 C ATOM 54 CG PHE A 4 8.323 6.597 -9.952 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.819 7.349 -11.000 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.694 6.578 -9.746 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.664 8.066 -11.825 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.544 7.292 -10.565 1.00 0.00 C ATOM 59 CZ PHE A 4 10.029 8.039 -11.607 1.00 0.00 C ATOM 0 H PHE A 4 8.572 6.541 -6.955 1.00 0.00 H new ATOM 0 HA PHE A 4 6.223 7.472 -8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.962 4.991 -8.610 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.619 5.361 -9.672 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.753 7.375 -11.174 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.102 5.996 -8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.258 8.647 -12.640 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.610 7.267 -10.392 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.691 8.600 -12.250 1.00 0.00 H new ATOM 69 N LEU A 5 4.575 5.610 -7.662 1.00 0.00 N ATOM 70 CA LEU A 5 3.589 4.771 -7.002 1.00 0.00 C ATOM 71 C LEU A 5 3.185 3.710 -8.005 1.00 0.00 C ATOM 72 O LEU A 5 2.856 4.037 -9.148 1.00 0.00 O ATOM 73 CB LEU A 5 2.367 5.635 -6.560 1.00 0.00 C ATOM 74 CG LEU A 5 1.345 5.044 -5.532 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.587 3.850 -6.068 1.00 0.00 C ATOM 76 CD2 LEU A 5 2.023 4.686 -4.221 1.00 0.00 C ATOM 0 H LEU A 5 4.251 6.045 -8.526 1.00 0.00 H new ATOM 0 HA LEU A 5 3.990 4.306 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.756 6.562 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.811 5.901 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 5 0.616 5.834 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.105 3.487 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.028 4.143 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.290 3.058 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.286 4.278 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.799 3.943 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.472 5.580 -3.788 1.00 0.00 H new ATOM 88 N ASP A 6 3.244 2.473 -7.623 1.00 0.00 N ATOM 89 CA ASP A 6 2.891 1.391 -8.519 1.00 0.00 C ATOM 90 C ASP A 6 1.991 0.411 -7.796 1.00 0.00 C ATOM 91 O ASP A 6 2.019 0.333 -6.567 1.00 0.00 O ATOM 92 CB ASP A 6 4.158 0.690 -9.018 1.00 0.00 C ATOM 93 CG ASP A 6 3.899 -0.292 -10.130 1.00 0.00 C ATOM 94 OD1 ASP A 6 3.368 0.125 -11.184 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.244 -1.473 -9.993 1.00 0.00 O ATOM 0 H ASP A 6 3.534 2.175 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 6 2.358 1.792 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.868 1.441 -9.365 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.628 0.168 -8.184 1.00 0.00 H new ATOM 100 N PHE A 7 1.199 -0.313 -8.533 1.00 0.00 N ATOM 101 CA PHE A 7 0.265 -1.270 -7.963 1.00 0.00 C ATOM 102 C PHE A 7 0.551 -2.642 -8.508 1.00 0.00 C ATOM 103 O PHE A 7 0.750 -2.805 -9.725 1.00 0.00 O ATOM 104 CB PHE A 7 -1.203 -0.930 -8.309 1.00 0.00 C ATOM 105 CG PHE A 7 -1.765 0.336 -7.718 1.00 0.00 C ATOM 106 CD1 PHE A 7 -2.373 0.317 -6.474 1.00 0.00 C ATOM 107 CD2 PHE A 7 -1.717 1.531 -8.415 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.920 1.465 -5.935 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.266 2.683 -7.886 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.866 2.650 -6.643 1.00 0.00 C ATOM 0 H PHE A 7 1.175 -0.264 -9.552 1.00 0.00 H new ATOM 0 HA PHE A 7 0.394 -1.232 -6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.290 -0.866 -9.394 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.829 -1.762 -7.987 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.420 -0.608 -5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.244 1.563 -9.385 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.389 1.436 -4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.226 3.607 -8.443 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.293 3.550 -6.225 1.00 0.00 H new ATOM 120 N ASP A 8 0.595 -3.623 -7.643 1.00 0.00 N ATOM 121 CA ASP A 8 0.716 -4.996 -8.091 1.00 0.00 C ATOM 122 C ASP A 8 -0.598 -5.419 -8.710 1.00 0.00 C ATOM 123 O ASP A 8 -1.640 -4.892 -8.326 1.00 0.00 O ATOM 124 CB ASP A 8 1.057 -5.937 -6.947 1.00 0.00 C ATOM 125 CG ASP A 8 1.175 -7.354 -7.432 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.150 -7.674 -8.141 1.00 0.00 O ATOM 127 OD2 ASP A 8 0.276 -8.148 -7.182 1.00 0.00 O ATOM 0 H ASP A 8 0.550 -3.503 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 8 1.527 -5.050 -8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.994 -5.628 -6.484 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.287 -5.875 -6.178 1.00 0.00 H new ATOM 132 N GLU A 9 -0.567 -6.352 -9.650 1.00 0.00 N ATOM 133 CA GLU A 9 -1.778 -6.802 -10.300 1.00 0.00 C ATOM 134 C GLU A 9 -2.797 -7.368 -9.313 1.00 0.00 C ATOM 135 O GLU A 9 -3.992 -7.125 -9.458 1.00 0.00 O ATOM 136 CB GLU A 9 -1.492 -7.724 -11.520 1.00 0.00 C ATOM 137 CG GLU A 9 -0.622 -8.969 -11.278 1.00 0.00 C ATOM 138 CD GLU A 9 -1.331 -10.118 -10.584 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.555 -10.255 -10.716 1.00 0.00 O ATOM 140 OE2 GLU A 9 -0.661 -10.948 -9.965 1.00 0.00 O ATOM 0 H GLU A 9 0.285 -6.809 -9.976 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.258 -5.919 -10.722 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.449 -8.055 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.012 -7.122 -12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.243 -9.321 -12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.242 -8.680 -10.680 1.00 0.00 H new ATOM 147 N ARG A 10 -2.322 -8.024 -8.254 1.00 0.00 N ATOM 148 CA ARG A 10 -3.220 -8.585 -7.260 1.00 0.00 C ATOM 149 C ARG A 10 -3.871 -7.474 -6.485 1.00 0.00 C ATOM 150 O ARG A 10 -5.094 -7.473 -6.276 1.00 0.00 O ATOM 151 CB ARG A 10 -2.490 -9.495 -6.289 1.00 0.00 C ATOM 152 CG ARG A 10 -1.787 -10.651 -6.934 1.00 0.00 C ATOM 153 CD ARG A 10 -1.128 -11.508 -5.899 1.00 0.00 C ATOM 154 NE ARG A 10 -0.435 -12.650 -6.486 1.00 0.00 N ATOM 155 CZ ARG A 10 -0.160 -13.773 -5.817 1.00 0.00 C ATOM 156 NH1 ARG A 10 -0.648 -13.957 -4.585 1.00 0.00 N ATOM 157 NH2 ARG A 10 0.563 -14.727 -6.387 1.00 0.00 N ATOM 0 H ARG A 10 -1.331 -8.176 -8.068 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.968 -9.176 -7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.760 -8.905 -5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.206 -9.880 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.500 -11.245 -7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.041 -10.283 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.417 -10.907 -5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.879 -11.865 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.144 -12.587 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.231 -13.239 -4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.437 -14.815 -4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.910 -14.604 -7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.772 -15.584 -5.874 1.00 0.00 H new ATOM 171 N ALA A 11 -3.056 -6.514 -6.099 1.00 0.00 N ATOM 172 CA ALA A 11 -3.498 -5.374 -5.329 1.00 0.00 C ATOM 173 C ALA A 11 -4.430 -4.507 -6.137 1.00 0.00 C ATOM 174 O ALA A 11 -5.356 -3.933 -5.604 1.00 0.00 O ATOM 175 CB ALA A 11 -2.312 -4.555 -4.865 1.00 0.00 C ATOM 0 H ALA A 11 -2.059 -6.505 -6.314 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.036 -5.748 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.664 -3.701 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.664 -5.173 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.753 -4.201 -5.731 1.00 0.00 H new ATOM 181 N LEU A 12 -4.210 -4.464 -7.428 1.00 0.00 N ATOM 182 CA LEU A 12 -4.986 -3.623 -8.303 1.00 0.00 C ATOM 183 C LEU A 12 -6.382 -4.202 -8.456 1.00 0.00 C ATOM 184 O LEU A 12 -7.359 -3.474 -8.539 1.00 0.00 O ATOM 185 CB LEU A 12 -4.281 -3.483 -9.646 1.00 0.00 C ATOM 186 CG LEU A 12 -4.765 -2.362 -10.579 1.00 0.00 C ATOM 187 CD1 LEU A 12 -4.732 -1.007 -9.879 1.00 0.00 C ATOM 188 CD2 LEU A 12 -3.892 -2.319 -11.819 1.00 0.00 C ATOM 0 H LEU A 12 -3.489 -5.010 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.080 -2.625 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.219 -3.329 -9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.376 -4.430 -10.178 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.797 -2.574 -10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.080 -0.235 -10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.381 -1.034 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.712 -0.783 -9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.237 -1.523 -12.479 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.859 -2.128 -11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.952 -3.275 -12.340 1.00 0.00 H new ATOM 200 N LYS A 13 -6.466 -5.517 -8.455 1.00 0.00 N ATOM 201 CA LYS A 13 -7.750 -6.203 -8.491 1.00 0.00 C ATOM 202 C LYS A 13 -8.500 -5.928 -7.197 1.00 0.00 C ATOM 203 O LYS A 13 -9.694 -5.649 -7.204 1.00 0.00 O ATOM 204 CB LYS A 13 -7.533 -7.693 -8.643 1.00 0.00 C ATOM 205 CG LYS A 13 -6.822 -8.078 -9.911 1.00 0.00 C ATOM 206 CD LYS A 13 -6.373 -9.512 -9.848 1.00 0.00 C ATOM 207 CE LYS A 13 -5.541 -9.888 -11.061 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.257 -9.720 -12.340 1.00 0.00 N ATOM 0 H LYS A 13 -5.658 -6.139 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.331 -5.839 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.958 -8.055 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.499 -8.196 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.485 -7.935 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.961 -7.427 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.790 -9.672 -8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.244 -10.165 -9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.638 -9.277 -11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.222 -10.926 -10.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.665 -10.073 -13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.148 -10.256 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.464 -8.712 -12.492 1.00 0.00 H new ATOM 222 N GLU A 14 -7.772 -5.972 -6.084 1.00 0.00 N ATOM 223 CA GLU A 14 -8.338 -5.686 -4.777 1.00 0.00 C ATOM 224 C GLU A 14 -8.813 -4.237 -4.722 1.00 0.00 C ATOM 225 O GLU A 14 -9.856 -3.945 -4.177 1.00 0.00 O ATOM 226 CB GLU A 14 -7.301 -5.944 -3.690 1.00 0.00 C ATOM 227 CG GLU A 14 -6.798 -7.371 -3.654 1.00 0.00 C ATOM 228 CD GLU A 14 -7.887 -8.358 -3.354 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.340 -8.433 -2.195 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.330 -9.074 -4.273 1.00 0.00 O ATOM 0 H GLU A 14 -6.779 -6.206 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.191 -6.342 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.455 -5.274 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.734 -5.697 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.344 -7.617 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.016 -7.458 -2.900 1.00 0.00 H new ATOM 237 N TRP A 15 -8.036 -3.366 -5.324 1.00 0.00 N ATOM 238 CA TRP A 15 -8.310 -1.938 -5.441 1.00 0.00 C ATOM 239 C TRP A 15 -9.621 -1.695 -6.214 1.00 0.00 C ATOM 240 O TRP A 15 -10.417 -0.810 -5.871 1.00 0.00 O ATOM 241 CB TRP A 15 -7.116 -1.299 -6.170 1.00 0.00 C ATOM 242 CG TRP A 15 -7.187 0.169 -6.383 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.538 0.815 -7.531 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.868 1.173 -5.431 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.470 2.173 -7.339 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.060 2.415 -6.056 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.446 1.143 -4.101 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.835 3.612 -5.401 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.222 2.331 -3.453 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.419 3.549 -4.099 1.00 0.00 C ATOM 0 H TRP A 15 -7.158 -3.637 -5.766 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.435 -1.491 -4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.211 -1.520 -5.604 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.010 -1.781 -7.142 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.826 0.332 -8.453 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.689 2.884 -8.037 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.299 0.202 -3.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.982 4.560 -5.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.888 2.322 -2.426 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.239 4.467 -3.559 1.00 0.00 H new ATOM 261 N ARG A 16 -9.837 -2.482 -7.244 1.00 0.00 N ATOM 262 CA ARG A 16 -11.047 -2.401 -8.050 1.00 0.00 C ATOM 263 C ARG A 16 -12.230 -3.004 -7.295 1.00 0.00 C ATOM 264 O ARG A 16 -13.363 -2.534 -7.419 1.00 0.00 O ATOM 265 CB ARG A 16 -10.833 -3.101 -9.386 1.00 0.00 C ATOM 266 CG ARG A 16 -9.743 -2.464 -10.230 1.00 0.00 C ATOM 267 CD ARG A 16 -9.446 -3.285 -11.461 1.00 0.00 C ATOM 268 NE ARG A 16 -8.363 -2.703 -12.258 1.00 0.00 N ATOM 269 CZ ARG A 16 -7.512 -3.398 -13.021 1.00 0.00 C ATOM 270 NH1 ARG A 16 -7.565 -4.729 -13.044 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.590 -2.761 -13.738 1.00 0.00 N ATOM 0 H ARG A 16 -9.181 -3.200 -7.552 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.274 -1.353 -8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.579 -4.145 -9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.768 -3.093 -9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.050 -1.461 -10.526 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.836 -2.357 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.175 -4.298 -11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.345 -3.362 -12.072 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.249 -1.690 -12.229 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.256 -5.222 -12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.914 -5.255 -13.627 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.532 -1.743 -13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.941 -3.290 -14.320 1.00 0.00 H new ATOM 285 N LYS A 17 -11.933 -4.013 -6.494 1.00 0.00 N ATOM 286 CA LYS A 17 -12.907 -4.705 -5.656 1.00 0.00 C ATOM 287 C LYS A 17 -13.328 -3.827 -4.469 1.00 0.00 C ATOM 288 O LYS A 17 -14.438 -3.955 -3.944 1.00 0.00 O ATOM 289 CB LYS A 17 -12.289 -6.071 -5.212 1.00 0.00 C ATOM 290 CG LYS A 17 -13.089 -6.937 -4.210 1.00 0.00 C ATOM 291 CD LYS A 17 -12.843 -6.550 -2.745 1.00 0.00 C ATOM 292 CE LYS A 17 -11.390 -6.799 -2.315 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.014 -8.228 -2.399 1.00 0.00 N ATOM 0 H LYS A 17 -10.988 -4.385 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.821 -4.905 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.119 -6.668 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.312 -5.869 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.153 -6.846 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.823 -7.984 -4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.087 -5.497 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.513 -7.121 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.722 -6.213 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.252 -6.449 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.068 -8.363 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.705 -8.800 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.005 -8.527 -3.395 1.00 0.00 H new ATOM 307 N LEU A 18 -12.436 -2.959 -4.056 1.00 0.00 N ATOM 308 CA LEU A 18 -12.668 -2.039 -2.962 1.00 0.00 C ATOM 309 C LEU A 18 -13.778 -1.062 -3.267 1.00 0.00 C ATOM 310 O LEU A 18 -14.048 -0.734 -4.440 1.00 0.00 O ATOM 311 CB LEU A 18 -11.396 -1.262 -2.628 1.00 0.00 C ATOM 312 CG LEU A 18 -10.765 -1.539 -1.268 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.395 -3.005 -1.110 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.553 -0.659 -1.080 1.00 0.00 C ATOM 0 H LEU A 18 -11.511 -2.868 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.967 -2.643 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.654 -1.475 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.621 -0.197 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.500 -1.307 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.948 -3.164 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.291 -3.619 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.680 -3.285 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.105 -0.860 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.826 -0.869 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.852 0.388 -1.133 1.00 0.00 H new ATOM 326 N GLY A 19 -14.410 -0.606 -2.216 1.00 0.00 N ATOM 327 CA GLY A 19 -15.447 0.364 -2.326 1.00 0.00 C ATOM 328 C GLY A 19 -14.890 1.683 -2.754 1.00 0.00 C ATOM 329 O GLY A 19 -13.774 2.045 -2.344 1.00 0.00 O ATOM 0 H GLY A 19 -14.213 -0.904 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.193 0.027 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.955 0.471 -1.368 1.00 0.00 H new ATOM 333 N SER A 20 -15.644 2.383 -3.569 1.00 0.00 N ATOM 334 CA SER A 20 -15.265 3.649 -4.153 1.00 0.00 C ATOM 335 C SER A 20 -14.720 4.636 -3.109 1.00 0.00 C ATOM 336 O SER A 20 -13.588 5.078 -3.211 1.00 0.00 O ATOM 337 CB SER A 20 -16.485 4.226 -4.835 1.00 0.00 C ATOM 338 OG SER A 20 -17.108 3.233 -5.643 1.00 0.00 O ATOM 0 H SER A 20 -16.573 2.075 -3.854 1.00 0.00 H new ATOM 0 HA SER A 20 -14.459 3.482 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.189 4.593 -4.088 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.198 5.079 -5.450 1.00 0.00 H new ATOM 0 HG SER A 20 -17.898 3.615 -6.079 1.00 0.00 H new ATOM 344 N THR A 21 -15.490 4.879 -2.077 1.00 0.00 N ATOM 345 CA THR A 21 -15.151 5.847 -1.053 1.00 0.00 C ATOM 346 C THR A 21 -13.885 5.411 -0.288 1.00 0.00 C ATOM 347 O THR A 21 -13.039 6.240 0.071 1.00 0.00 O ATOM 348 CB THR A 21 -16.339 5.999 -0.081 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.548 6.210 -0.844 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.136 7.177 0.863 1.00 0.00 C ATOM 0 H THR A 21 -16.380 4.407 -1.919 1.00 0.00 H new ATOM 0 HA THR A 21 -14.945 6.807 -1.526 1.00 0.00 H new ATOM 0 HB THR A 21 -16.413 5.090 0.515 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.308 6.306 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.991 7.256 1.535 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.229 7.023 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.043 8.096 0.284 1.00 0.00 H new ATOM 358 N VAL A 22 -13.734 4.110 -0.109 1.00 0.00 N ATOM 359 CA VAL A 22 -12.603 3.568 0.609 1.00 0.00 C ATOM 360 C VAL A 22 -11.325 3.748 -0.203 1.00 0.00 C ATOM 361 O VAL A 22 -10.327 4.268 0.296 1.00 0.00 O ATOM 362 CB VAL A 22 -12.810 2.056 0.933 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.571 1.453 1.570 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.004 1.869 1.855 1.00 0.00 C ATOM 0 H VAL A 22 -14.388 3.408 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.515 4.113 1.549 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.998 1.540 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.748 0.399 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.727 1.548 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.347 1.978 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.134 0.809 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.834 2.411 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.902 2.254 1.371 1.00 0.00 H new ATOM 374 N ARG A 23 -11.382 3.386 -1.461 1.00 0.00 N ATOM 375 CA ARG A 23 -10.224 3.506 -2.315 1.00 0.00 C ATOM 376 C ARG A 23 -9.855 4.956 -2.599 1.00 0.00 C ATOM 377 O ARG A 23 -8.681 5.270 -2.713 1.00 0.00 O ATOM 378 CB ARG A 23 -10.345 2.709 -3.597 1.00 0.00 C ATOM 379 CG ARG A 23 -11.587 2.984 -4.392 1.00 0.00 C ATOM 380 CD ARG A 23 -11.420 2.490 -5.790 1.00 0.00 C ATOM 381 NE ARG A 23 -12.674 2.557 -6.543 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.257 1.507 -7.134 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.694 0.304 -7.081 1.00 0.00 N ATOM 384 NH2 ARG A 23 -14.408 1.660 -7.758 1.00 0.00 N ATOM 0 H ARG A 23 -12.213 3.008 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.403 3.066 -1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.477 2.918 -4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.314 1.647 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.443 2.496 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.795 4.054 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.659 3.084 -6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.061 1.461 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.134 3.464 -6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.811 0.176 -6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.145 -0.491 -7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.853 2.577 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.854 0.861 -8.209 1.00 0.00 H new ATOM 398 N GLU A 24 -10.853 5.829 -2.725 1.00 0.00 N ATOM 399 CA GLU A 24 -10.595 7.245 -2.960 1.00 0.00 C ATOM 400 C GLU A 24 -9.746 7.830 -1.858 1.00 0.00 C ATOM 401 O GLU A 24 -8.720 8.445 -2.132 1.00 0.00 O ATOM 402 CB GLU A 24 -11.882 8.035 -3.106 1.00 0.00 C ATOM 403 CG GLU A 24 -12.670 7.683 -4.339 1.00 0.00 C ATOM 404 CD GLU A 24 -13.915 8.491 -4.464 1.00 0.00 C ATOM 405 OE1 GLU A 24 -14.845 8.320 -3.654 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.007 9.304 -5.396 1.00 0.00 O ATOM 0 H GLU A 24 -11.841 5.581 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.048 7.319 -3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.504 7.865 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.645 9.099 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.049 7.838 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.928 6.624 -4.313 1.00 0.00 H new ATOM 413 N GLN A 25 -10.143 7.596 -0.613 1.00 0.00 N ATOM 414 CA GLN A 25 -9.380 8.094 0.532 1.00 0.00 C ATOM 415 C GLN A 25 -7.987 7.479 0.591 1.00 0.00 C ATOM 416 O GLN A 25 -7.022 8.152 0.960 1.00 0.00 O ATOM 417 CB GLN A 25 -10.136 7.911 1.854 1.00 0.00 C ATOM 418 CG GLN A 25 -11.028 9.096 2.255 1.00 0.00 C ATOM 419 CD GLN A 25 -12.019 9.526 1.185 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.723 10.382 0.352 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.179 8.957 1.195 1.00 0.00 N ATOM 0 H GLN A 25 -10.981 7.069 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.255 9.167 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.755 7.017 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.412 7.734 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.579 8.832 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.392 9.945 2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.395 8.251 1.899 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.879 9.214 0.499 1.00 0.00 H new ATOM 430 N LEU A 26 -7.881 6.223 0.200 1.00 0.00 N ATOM 431 CA LEU A 26 -6.594 5.555 0.151 1.00 0.00 C ATOM 432 C LEU A 26 -5.700 6.170 -0.920 1.00 0.00 C ATOM 433 O LEU A 26 -4.532 6.430 -0.670 1.00 0.00 O ATOM 434 CB LEU A 26 -6.752 4.054 -0.076 1.00 0.00 C ATOM 435 CG LEU A 26 -7.436 3.264 1.054 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.548 1.804 0.686 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.678 3.420 2.367 1.00 0.00 C ATOM 0 H LEU A 26 -8.670 5.645 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.115 5.697 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.323 3.904 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.763 3.627 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.439 3.670 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.034 1.261 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.139 1.703 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.552 1.393 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.183 2.852 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.661 3.047 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.647 4.473 2.647 1.00 0.00 H new ATOM 449 N LYS A 27 -6.251 6.417 -2.101 1.00 0.00 N ATOM 450 CA LYS A 27 -5.494 7.047 -3.180 1.00 0.00 C ATOM 451 C LYS A 27 -5.053 8.459 -2.785 1.00 0.00 C ATOM 452 O LYS A 27 -3.922 8.870 -3.065 1.00 0.00 O ATOM 453 CB LYS A 27 -6.312 7.127 -4.449 1.00 0.00 C ATOM 454 CG LYS A 27 -5.529 7.699 -5.616 1.00 0.00 C ATOM 455 CD LYS A 27 -6.396 7.930 -6.827 1.00 0.00 C ATOM 456 CE LYS A 27 -7.372 9.065 -6.589 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.268 9.254 -7.729 1.00 0.00 N ATOM 0 H LYS A 27 -7.217 6.192 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.615 6.427 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.669 6.131 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.193 7.744 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.069 8.641 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.719 7.018 -5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.769 8.160 -7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.944 7.018 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.959 8.859 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.820 9.987 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.921 10.038 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.709 9.475 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.812 8.383 -7.891 1.00 0.00 H new ATOM 471 N LYS A 28 -5.953 9.194 -2.150 1.00 0.00 N ATOM 472 CA LYS A 28 -5.650 10.537 -1.645 1.00 0.00 C ATOM 473 C LYS A 28 -4.502 10.475 -0.645 1.00 0.00 C ATOM 474 O LYS A 28 -3.653 11.375 -0.591 1.00 0.00 O ATOM 475 CB LYS A 28 -6.879 11.170 -1.000 1.00 0.00 C ATOM 476 CG LYS A 28 -8.016 11.418 -1.964 1.00 0.00 C ATOM 477 CD LYS A 28 -9.251 11.900 -1.241 1.00 0.00 C ATOM 478 CE LYS A 28 -10.416 12.058 -2.196 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.665 12.419 -1.489 1.00 0.00 N ATOM 0 H LYS A 28 -6.908 8.886 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.353 11.159 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.231 10.522 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.591 12.116 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.713 12.158 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.244 10.500 -2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.515 11.193 -0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.043 12.853 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.180 12.827 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.565 11.127 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.438 12.518 -2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.904 11.673 -0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.532 13.320 -0.987 1.00 0.00 H new ATOM 493 N LYS A 29 -4.468 9.402 0.121 1.00 0.00 N ATOM 494 CA LYS A 29 -3.398 9.167 1.052 1.00 0.00 C ATOM 495 C LYS A 29 -2.110 8.818 0.329 1.00 0.00 C ATOM 496 O LYS A 29 -1.039 9.207 0.753 1.00 0.00 O ATOM 497 CB LYS A 29 -3.752 8.085 2.059 1.00 0.00 C ATOM 498 CG LYS A 29 -3.822 8.592 3.491 1.00 0.00 C ATOM 499 CD LYS A 29 -4.970 9.561 3.692 1.00 0.00 C ATOM 500 CE LYS A 29 -4.965 10.134 5.096 1.00 0.00 C ATOM 501 NZ LYS A 29 -3.791 11.011 5.343 1.00 0.00 N ATOM 0 H LYS A 29 -5.183 8.674 0.111 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.245 10.095 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.713 7.648 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.011 7.287 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.937 7.747 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.883 9.083 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.897 10.371 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.916 9.052 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.881 10.703 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.965 9.318 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.857 11.419 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.918 10.452 5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.775 11.777 4.639 1.00 0.00 H new ATOM 515 N LEU A 30 -2.224 8.099 -0.764 1.00 0.00 N ATOM 516 CA LEU A 30 -1.072 7.731 -1.563 1.00 0.00 C ATOM 517 C LEU A 30 -0.440 8.956 -2.198 1.00 0.00 C ATOM 518 O LEU A 30 0.771 9.141 -2.135 1.00 0.00 O ATOM 519 CB LEU A 30 -1.444 6.717 -2.647 1.00 0.00 C ATOM 520 CG LEU A 30 -2.003 5.384 -2.160 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.317 4.481 -3.335 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.031 4.714 -1.206 1.00 0.00 C ATOM 0 H LEU A 30 -3.113 7.753 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.348 7.267 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.180 7.176 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.557 6.517 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.930 5.574 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.715 3.534 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.056 4.962 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.407 4.296 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.448 3.765 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.085 4.535 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.861 5.361 -0.345 1.00 0.00 H new ATOM 534 N VAL A 31 -1.265 9.809 -2.775 1.00 0.00 N ATOM 535 CA VAL A 31 -0.769 10.995 -3.445 1.00 0.00 C ATOM 536 C VAL A 31 -0.089 11.969 -2.445 1.00 0.00 C ATOM 537 O VAL A 31 0.939 12.589 -2.769 1.00 0.00 O ATOM 538 CB VAL A 31 -1.870 11.691 -4.324 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.991 12.281 -3.503 1.00 0.00 C ATOM 540 CG2 VAL A 31 -1.279 12.730 -5.253 1.00 0.00 C ATOM 0 H VAL A 31 -2.279 9.703 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 31 0.004 10.673 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.305 10.900 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.720 12.748 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.475 11.492 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.588 13.030 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.075 13.186 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.776 13.498 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.561 12.254 -5.921 1.00 0.00 H new ATOM 550 N GLU A 32 -0.649 12.106 -1.235 1.00 0.00 N ATOM 551 CA GLU A 32 0.002 12.908 -0.204 1.00 0.00 C ATOM 552 C GLU A 32 1.280 12.215 0.304 1.00 0.00 C ATOM 553 O GLU A 32 2.329 12.845 0.435 1.00 0.00 O ATOM 554 CB GLU A 32 -0.940 13.274 0.979 1.00 0.00 C ATOM 555 CG GLU A 32 -1.470 12.085 1.743 1.00 0.00 C ATOM 556 CD GLU A 32 -2.263 12.433 2.976 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.672 12.579 4.052 1.00 0.00 O ATOM 558 OE2 GLU A 32 -3.503 12.501 2.915 1.00 0.00 O ATOM 0 H GLU A 32 -1.532 11.680 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 32 0.275 13.851 -0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.402 13.924 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.783 13.848 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.099 11.494 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.631 11.453 2.033 1.00 0.00 H new ATOM 565 N VAL A 33 1.193 10.902 0.530 1.00 0.00 N ATOM 566 CA VAL A 33 2.280 10.132 1.123 1.00 0.00 C ATOM 567 C VAL A 33 3.527 10.131 0.247 1.00 0.00 C ATOM 568 O VAL A 33 4.597 10.060 0.744 1.00 0.00 O ATOM 569 CB VAL A 33 1.876 8.674 1.542 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.024 7.653 0.416 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.618 8.243 2.798 1.00 0.00 C ATOM 0 H VAL A 33 0.367 10.347 0.306 1.00 0.00 H new ATOM 0 HA VAL A 33 2.519 10.653 2.050 1.00 0.00 H new ATOM 0 HB VAL A 33 0.810 8.703 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.728 6.668 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.387 7.940 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.063 7.622 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.320 7.230 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.692 8.269 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.374 8.922 3.615 1.00 0.00 H new ATOM 581 N LEU A 34 3.357 10.225 -1.063 1.00 0.00 N ATOM 582 CA LEU A 34 4.482 10.200 -2.021 1.00 0.00 C ATOM 583 C LEU A 34 5.569 11.236 -1.739 1.00 0.00 C ATOM 584 O LEU A 34 6.719 11.034 -2.139 1.00 0.00 O ATOM 585 CB LEU A 34 3.999 10.335 -3.465 1.00 0.00 C ATOM 586 CG LEU A 34 3.253 9.138 -4.041 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.770 9.446 -5.451 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.157 7.909 -4.043 1.00 0.00 C ATOM 0 H LEU A 34 2.442 10.321 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 34 4.939 9.221 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.348 11.207 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.863 10.536 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 34 2.384 8.931 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.239 8.582 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.099 10.305 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.626 9.672 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.614 7.059 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.039 8.107 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.464 7.682 -3.022 1.00 0.00 H new ATOM 600 N GLU A 35 5.232 12.330 -1.077 1.00 0.00 N ATOM 601 CA GLU A 35 6.241 13.329 -0.784 1.00 0.00 C ATOM 602 C GLU A 35 7.039 12.989 0.496 1.00 0.00 C ATOM 603 O GLU A 35 8.070 13.617 0.790 1.00 0.00 O ATOM 604 CB GLU A 35 5.647 14.753 -0.822 1.00 0.00 C ATOM 605 CG GLU A 35 4.492 15.030 0.126 1.00 0.00 C ATOM 606 CD GLU A 35 4.928 15.487 1.483 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.260 16.670 1.629 1.00 0.00 O ATOM 608 OE2 GLU A 35 4.909 14.700 2.422 1.00 0.00 O ATOM 0 H GLU A 35 4.293 12.545 -0.741 1.00 0.00 H new ATOM 0 HA GLU A 35 6.987 13.311 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.446 15.462 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.310 14.955 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.846 15.790 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.894 14.125 0.231 1.00 0.00 H new ATOM 615 N SER A 36 6.577 11.966 1.211 1.00 0.00 N ATOM 616 CA SER A 36 7.240 11.433 2.400 1.00 0.00 C ATOM 617 C SER A 36 6.767 9.979 2.684 1.00 0.00 C ATOM 618 O SER A 36 6.183 9.703 3.703 1.00 0.00 O ATOM 619 CB SER A 36 6.999 12.357 3.614 1.00 0.00 C ATOM 620 OG SER A 36 5.611 12.636 3.788 1.00 0.00 O ATOM 0 H SER A 36 5.715 11.474 0.976 1.00 0.00 H new ATOM 0 HA SER A 36 8.314 11.400 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.393 11.887 4.515 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.545 13.290 3.477 1.00 0.00 H new ATOM 0 HG SER A 36 5.416 13.541 3.466 1.00 0.00 H new ATOM 626 N PRO A 37 7.014 9.010 1.758 1.00 0.00 N ATOM 627 CA PRO A 37 6.460 7.655 1.889 1.00 0.00 C ATOM 628 C PRO A 37 7.157 6.809 2.936 1.00 0.00 C ATOM 629 O PRO A 37 6.595 5.839 3.443 1.00 0.00 O ATOM 630 CB PRO A 37 6.648 7.061 0.502 1.00 0.00 C ATOM 631 CG PRO A 37 7.835 7.764 -0.040 1.00 0.00 C ATOM 632 CD PRO A 37 7.795 9.164 0.518 1.00 0.00 C ATOM 0 HA PRO A 37 5.423 7.684 2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.811 5.984 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.770 7.224 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.754 7.256 0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.813 7.780 -1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.796 9.547 0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.320 9.860 -0.174 1.00 0.00 H new ATOM 640 N ARG A 38 8.358 7.182 3.278 1.00 0.00 N ATOM 641 CA ARG A 38 9.128 6.438 4.230 1.00 0.00 C ATOM 642 C ARG A 38 8.908 6.898 5.681 1.00 0.00 C ATOM 643 O ARG A 38 9.837 7.209 6.413 1.00 0.00 O ATOM 644 CB ARG A 38 10.611 6.293 3.787 1.00 0.00 C ATOM 645 CG ARG A 38 11.255 7.544 3.157 1.00 0.00 C ATOM 646 CD ARG A 38 11.546 8.640 4.157 1.00 0.00 C ATOM 647 NE ARG A 38 12.514 8.216 5.168 1.00 0.00 N ATOM 648 CZ ARG A 38 12.917 8.953 6.201 1.00 0.00 C ATOM 649 NH1 ARG A 38 12.475 10.201 6.352 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.762 8.445 7.070 1.00 0.00 N ATOM 0 H ARG A 38 8.828 8.007 2.906 1.00 0.00 H new ATOM 0 HA ARG A 38 8.743 5.418 4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.202 6.003 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.677 5.475 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.184 7.256 2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.592 7.934 2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.929 9.516 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.619 8.940 4.646 1.00 0.00 H new ATOM 0 HE ARG A 38 12.912 7.282 5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.824 10.597 5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.788 10.760 7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.105 7.492 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.075 9.004 7.864 1.00 0.00 H new ATOM 664 N ILE A 39 7.646 6.901 6.074 1.00 0.00 N ATOM 665 CA ILE A 39 7.217 7.270 7.416 1.00 0.00 C ATOM 666 C ILE A 39 7.362 6.057 8.327 1.00 0.00 C ATOM 667 O ILE A 39 6.614 5.083 8.190 1.00 0.00 O ATOM 668 CB ILE A 39 5.732 7.754 7.403 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.610 8.999 6.532 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.222 8.040 8.815 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.195 9.475 6.284 1.00 0.00 C ATOM 0 H ILE A 39 6.874 6.642 5.459 1.00 0.00 H new ATOM 0 HA ILE A 39 7.837 8.088 7.783 1.00 0.00 H new ATOM 0 HB ILE A 39 5.115 6.957 6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.171 9.807 7.001 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.083 8.798 5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.186 8.374 8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.283 7.132 9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.833 8.818 9.272 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.215 10.365 5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.629 8.689 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.720 9.714 7.235 1.00 0.00 H new ATOM 683 N GLU A 40 8.305 6.117 9.251 1.00 0.00 N ATOM 684 CA GLU A 40 8.619 4.979 10.116 1.00 0.00 C ATOM 685 C GLU A 40 7.431 4.546 10.981 1.00 0.00 C ATOM 686 O GLU A 40 7.323 3.376 11.341 1.00 0.00 O ATOM 687 CB GLU A 40 9.865 5.237 10.971 1.00 0.00 C ATOM 688 CG GLU A 40 9.747 6.413 11.910 1.00 0.00 C ATOM 689 CD GLU A 40 10.965 6.605 12.755 1.00 0.00 C ATOM 690 OE1 GLU A 40 11.897 7.324 12.317 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.019 6.061 13.880 1.00 0.00 O ATOM 0 H GLU A 40 8.874 6.945 9.427 1.00 0.00 H new ATOM 0 HA GLU A 40 8.842 4.146 9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.081 4.342 11.555 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.716 5.400 10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.566 7.318 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.881 6.270 12.556 1.00 0.00 H new ATOM 698 N ALA A 41 6.535 5.476 11.286 1.00 0.00 N ATOM 699 CA ALA A 41 5.340 5.171 12.070 1.00 0.00 C ATOM 700 C ALA A 41 4.412 4.216 11.311 1.00 0.00 C ATOM 701 O ALA A 41 3.699 3.412 11.911 1.00 0.00 O ATOM 702 CB ALA A 41 4.594 6.451 12.426 1.00 0.00 C ATOM 0 H ALA A 41 6.612 6.453 11.002 1.00 0.00 H new ATOM 0 HA ALA A 41 5.660 4.681 12.989 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.707 6.205 13.010 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.245 7.101 13.011 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.296 6.965 11.512 1.00 0.00 H new ATOM 708 N ASN A 42 4.474 4.266 9.991 1.00 0.00 N ATOM 709 CA ASN A 42 3.604 3.444 9.150 1.00 0.00 C ATOM 710 C ASN A 42 4.248 2.122 8.790 1.00 0.00 C ATOM 711 O ASN A 42 3.637 1.304 8.115 1.00 0.00 O ATOM 712 CB ASN A 42 3.172 4.176 7.867 1.00 0.00 C ATOM 713 CG ASN A 42 2.207 5.326 8.107 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.420 5.325 9.061 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.231 6.299 7.231 1.00 0.00 N ATOM 0 H ASN A 42 5.116 4.866 9.473 1.00 0.00 H new ATOM 0 HA ASN A 42 2.714 3.246 9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.059 4.559 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.706 3.459 7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.588 7.086 7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.892 6.270 6.455 1.00 0.00 H new ATOM 722 N LYS A 43 5.474 1.911 9.242 1.00 0.00 N ATOM 723 CA LYS A 43 6.193 0.666 8.974 1.00 0.00 C ATOM 724 C LYS A 43 5.515 -0.529 9.570 1.00 0.00 C ATOM 725 O LYS A 43 4.872 -0.444 10.623 1.00 0.00 O ATOM 726 CB LYS A 43 7.615 0.691 9.507 1.00 0.00 C ATOM 727 CG LYS A 43 8.628 1.382 8.640 1.00 0.00 C ATOM 728 CD LYS A 43 10.041 1.348 9.246 1.00 0.00 C ATOM 729 CE LYS A 43 10.701 -0.059 9.294 1.00 0.00 C ATOM 730 NZ LYS A 43 10.027 -1.048 10.201 1.00 0.00 N ATOM 0 H LYS A 43 5.998 2.586 9.799 1.00 0.00 H new ATOM 0 HA LYS A 43 6.202 0.585 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.608 1.177 10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.941 -0.337 9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.645 0.908 7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.326 2.418 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.683 2.015 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.995 1.746 10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.719 -0.469 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.738 0.054 9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.746 -1.641 10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.481 -0.539 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.387 -1.650 9.644 1.00 0.00 H new ATOM 744 N LEU A 44 5.630 -1.627 8.890 1.00 0.00 N ATOM 745 CA LEU A 44 5.182 -2.873 9.413 1.00 0.00 C ATOM 746 C LEU A 44 6.237 -3.439 10.343 1.00 0.00 C ATOM 747 O LEU A 44 7.356 -2.902 10.433 1.00 0.00 O ATOM 748 CB LEU A 44 4.801 -3.848 8.299 1.00 0.00 C ATOM 749 CG LEU A 44 3.544 -3.473 7.513 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.234 -4.499 6.464 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.363 -3.339 8.440 1.00 0.00 C ATOM 0 H LEU A 44 6.038 -1.681 7.957 1.00 0.00 H new ATOM 0 HA LEU A 44 4.272 -2.710 9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.637 -3.926 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.657 -4.836 8.735 1.00 0.00 H new ATOM 0 HG LEU A 44 3.735 -2.517 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.335 -4.205 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.070 -4.572 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.071 -5.467 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.477 -3.072 7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.192 -4.287 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.565 -2.561 9.177 1.00 0.00 H new ATOM 763 N ARG A 45 5.906 -4.508 11.005 1.00 0.00 N ATOM 764 CA ARG A 45 6.740 -5.055 12.030 1.00 0.00 C ATOM 765 C ARG A 45 7.794 -5.993 11.443 1.00 0.00 C ATOM 766 O ARG A 45 8.990 -5.798 11.653 1.00 0.00 O ATOM 767 CB ARG A 45 5.867 -5.790 13.047 1.00 0.00 C ATOM 768 CG ARG A 45 4.704 -4.951 13.587 1.00 0.00 C ATOM 769 CD ARG A 45 5.172 -3.733 14.375 1.00 0.00 C ATOM 770 NE ARG A 45 5.814 -4.102 15.639 1.00 0.00 N ATOM 771 CZ ARG A 45 6.666 -3.323 16.329 1.00 0.00 C ATOM 772 NH1 ARG A 45 7.052 -2.143 15.847 1.00 0.00 N ATOM 773 NH2 ARG A 45 7.116 -3.726 17.500 1.00 0.00 N ATOM 0 H ARG A 45 5.043 -5.028 10.846 1.00 0.00 H new ATOM 0 HA ARG A 45 7.270 -4.242 12.527 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.467 -6.692 12.584 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.490 -6.110 13.882 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.081 -4.623 12.755 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.079 -5.574 14.227 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.872 -3.158 13.769 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.319 -3.085 14.579 1.00 0.00 H new ATOM 0 HE ARG A 45 5.598 -5.021 16.026 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.701 -1.821 14.945 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.699 -1.561 16.380 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.818 -4.625 17.879 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.762 -3.139 18.027 1.00 0.00 H new ATOM 787 N GLY A 46 7.362 -6.981 10.696 1.00 0.00 N ATOM 788 CA GLY A 46 8.296 -7.948 10.150 1.00 0.00 C ATOM 789 C GLY A 46 8.148 -8.107 8.666 1.00 0.00 C ATOM 790 O GLY A 46 7.981 -9.220 8.165 1.00 0.00 O ATOM 0 H GLY A 46 6.384 -7.139 10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.315 -7.636 10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.141 -8.912 10.634 1.00 0.00 H new ATOM 794 N MET A 47 8.189 -7.004 7.962 1.00 0.00 N ATOM 795 CA MET A 47 8.046 -7.001 6.518 1.00 0.00 C ATOM 796 C MET A 47 9.087 -6.080 5.931 1.00 0.00 C ATOM 797 O MET A 47 9.243 -4.953 6.417 1.00 0.00 O ATOM 798 CB MET A 47 6.659 -6.510 6.110 1.00 0.00 C ATOM 799 CG MET A 47 5.500 -7.400 6.560 1.00 0.00 C ATOM 800 SD MET A 47 5.508 -9.034 5.781 1.00 0.00 S ATOM 801 CE MET A 47 5.178 -8.607 4.073 1.00 0.00 C ATOM 0 H MET A 47 8.322 -6.078 8.369 1.00 0.00 H new ATOM 0 HA MET A 47 8.177 -8.018 6.148 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.509 -5.510 6.518 1.00 0.00 H new ATOM 0 HB3 MET A 47 6.627 -6.419 5.024 1.00 0.00 H new ATOM 0 HG2 MET A 47 5.543 -7.521 7.642 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.558 -6.901 6.332 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.873 -9.500 3.527 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.380 -7.866 4.031 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.080 -8.195 3.620 1.00 0.00 H new ATOM 811 N PRO A 48 9.812 -6.527 4.898 1.00 0.00 N ATOM 812 CA PRO A 48 10.883 -5.741 4.277 1.00 0.00 C ATOM 813 C PRO A 48 10.384 -4.445 3.622 1.00 0.00 C ATOM 814 O PRO A 48 9.746 -4.473 2.556 1.00 0.00 O ATOM 815 CB PRO A 48 11.484 -6.688 3.225 1.00 0.00 C ATOM 816 CG PRO A 48 10.415 -7.695 2.962 1.00 0.00 C ATOM 817 CD PRO A 48 9.659 -7.847 4.250 1.00 0.00 C ATOM 0 HA PRO A 48 11.604 -5.407 5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.752 -6.150 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.393 -7.163 3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.756 -7.363 2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.845 -8.646 2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.611 -8.089 4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.071 -8.646 4.866 1.00 0.00 H new ATOM 825 N ASP A 49 10.607 -3.330 4.330 1.00 0.00 N ATOM 826 CA ASP A 49 10.298 -1.960 3.853 1.00 0.00 C ATOM 827 C ASP A 49 8.850 -1.796 3.526 1.00 0.00 C ATOM 828 O ASP A 49 8.485 -1.038 2.621 1.00 0.00 O ATOM 829 CB ASP A 49 11.157 -1.555 2.637 1.00 0.00 C ATOM 830 CG ASP A 49 12.587 -1.260 2.994 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.383 -2.205 3.094 1.00 0.00 O ATOM 832 OD2 ASP A 49 12.931 -0.073 3.185 1.00 0.00 O ATOM 0 H ASP A 49 11.013 -3.346 5.266 1.00 0.00 H new ATOM 0 HA ASP A 49 10.545 -1.295 4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.132 -2.357 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.718 -0.675 2.167 1.00 0.00 H new ATOM 837 N CYS A 50 8.008 -2.447 4.282 1.00 0.00 N ATOM 838 CA CYS A 50 6.622 -2.354 4.013 1.00 0.00 C ATOM 839 C CYS A 50 5.992 -1.397 4.985 1.00 0.00 C ATOM 840 O CYS A 50 6.349 -1.361 6.176 1.00 0.00 O ATOM 841 CB CYS A 50 5.969 -3.724 4.069 1.00 0.00 C ATOM 842 SG CYS A 50 6.696 -4.940 2.936 1.00 0.00 S ATOM 0 H CYS A 50 8.264 -3.036 5.075 1.00 0.00 H new ATOM 0 HA CYS A 50 6.471 -1.972 3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.038 -4.106 5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.909 -3.619 3.840 1.00 0.00 H new ATOM 0 HG CYS A 50 7.968 -4.705 2.806 1.00 0.00 H new ATOM 848 N TYR A 51 5.080 -0.637 4.488 1.00 0.00 N ATOM 849 CA TYR A 51 4.404 0.374 5.226 1.00 0.00 C ATOM 850 C TYR A 51 2.932 0.202 4.966 1.00 0.00 C ATOM 851 O TYR A 51 2.543 -0.347 3.919 1.00 0.00 O ATOM 852 CB TYR A 51 4.842 1.779 4.753 1.00 0.00 C ATOM 853 CG TYR A 51 6.329 2.123 4.900 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.298 1.522 4.104 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.747 3.067 5.812 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.637 1.849 4.223 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.084 3.399 5.937 1.00 0.00 C ATOM 858 CZ TYR A 51 9.023 2.785 5.142 1.00 0.00 C ATOM 859 OH TYR A 51 10.364 3.127 5.266 1.00 0.00 O ATOM 0 H TYR A 51 4.772 -0.705 3.518 1.00 0.00 H new ATOM 0 HA TYR A 51 4.638 0.285 6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.571 1.884 3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.265 2.520 5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.998 0.783 3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.018 3.557 6.441 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.372 1.368 3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.391 4.141 6.659 1.00 0.00 H new ATOM 0 HH TYR A 51 10.465 3.807 5.964 1.00 0.00 H new ATOM 869 N LYS A 52 2.129 0.625 5.883 1.00 0.00 N ATOM 870 CA LYS A 52 0.708 0.509 5.753 1.00 0.00 C ATOM 871 C LYS A 52 0.027 1.849 5.951 1.00 0.00 C ATOM 872 O LYS A 52 0.421 2.652 6.804 1.00 0.00 O ATOM 873 CB LYS A 52 0.150 -0.489 6.778 1.00 0.00 C ATOM 874 CG LYS A 52 0.570 -0.165 8.202 1.00 0.00 C ATOM 875 CD LYS A 52 -0.168 -0.979 9.238 1.00 0.00 C ATOM 876 CE LYS A 52 0.407 -0.686 10.605 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.391 -1.256 11.701 1.00 0.00 N ATOM 0 H LYS A 52 2.437 1.064 6.750 1.00 0.00 H new ATOM 0 HA LYS A 52 0.504 0.151 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.938 -0.495 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.489 -1.493 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.641 -0.339 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.399 0.895 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.231 -0.737 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.079 -2.042 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.421 -1.082 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.478 0.393 10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.053 -1.022 12.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.352 -0.860 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.439 -2.289 11.595 1.00 0.00 H new ATOM 891 N ILE A 53 -0.966 2.089 5.161 1.00 0.00 N ATOM 892 CA ILE A 53 -1.817 3.220 5.350 1.00 0.00 C ATOM 893 C ILE A 53 -3.149 2.703 5.792 1.00 0.00 C ATOM 894 O ILE A 53 -3.695 1.793 5.179 1.00 0.00 O ATOM 895 CB ILE A 53 -1.961 4.121 4.091 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.605 4.757 3.745 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.036 5.204 4.306 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.640 5.693 2.557 1.00 0.00 C ATOM 0 H ILE A 53 -1.213 1.505 4.362 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.367 3.869 6.101 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.281 3.500 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.242 5.306 4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.115 3.963 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.116 5.820 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.996 4.729 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.757 5.830 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.357 6.097 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.970 5.147 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.333 6.510 2.758 1.00 0.00 H new ATOM 910 N LYS A 54 -3.648 3.243 6.845 1.00 0.00 N ATOM 911 CA LYS A 54 -4.874 2.785 7.406 1.00 0.00 C ATOM 912 C LYS A 54 -5.930 3.834 7.194 1.00 0.00 C ATOM 913 O LYS A 54 -5.684 5.033 7.396 1.00 0.00 O ATOM 914 CB LYS A 54 -4.750 2.411 8.922 1.00 0.00 C ATOM 915 CG LYS A 54 -4.343 3.552 9.864 1.00 0.00 C ATOM 916 CD LYS A 54 -2.856 3.869 9.806 1.00 0.00 C ATOM 917 CE LYS A 54 -2.576 5.207 10.437 1.00 0.00 C ATOM 918 NZ LYS A 54 -1.153 5.590 10.335 1.00 0.00 N ATOM 0 H LYS A 54 -3.217 4.020 7.347 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.155 1.864 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.708 2.013 9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.020 1.608 9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.910 4.447 9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.613 3.286 10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.292 3.092 10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.519 3.872 8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.190 5.968 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.868 5.179 11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.080 6.615 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.663 5.344 11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.713 5.082 9.542 1.00 0.00 H new ATOM 932 N LEU A 55 -7.072 3.418 6.749 1.00 0.00 N ATOM 933 CA LEU A 55 -8.153 4.321 6.574 1.00 0.00 C ATOM 934 C LEU A 55 -8.856 4.363 7.913 1.00 0.00 C ATOM 935 O LEU A 55 -9.650 3.467 8.247 1.00 0.00 O ATOM 936 CB LEU A 55 -9.085 3.860 5.445 1.00 0.00 C ATOM 937 CG LEU A 55 -9.795 4.969 4.638 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.630 4.372 3.543 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.651 5.864 5.512 1.00 0.00 C ATOM 0 H LEU A 55 -7.276 2.450 6.500 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.814 5.313 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.505 3.252 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.847 3.211 5.876 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.013 5.590 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.122 5.169 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.992 3.799 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.383 3.714 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.128 6.626 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.417 5.266 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.025 6.345 6.264 1.00 0.00 H new ATOM 951 N ARG A 56 -8.487 5.372 8.674 1.00 0.00 N ATOM 952 CA ARG A 56 -8.859 5.592 10.071 1.00 0.00 C ATOM 953 C ARG A 56 -10.347 5.358 10.364 1.00 0.00 C ATOM 954 O ARG A 56 -10.691 4.752 11.373 1.00 0.00 O ATOM 955 CB ARG A 56 -8.411 7.008 10.475 1.00 0.00 C ATOM 956 CG ARG A 56 -8.642 7.398 11.922 1.00 0.00 C ATOM 957 CD ARG A 56 -8.078 8.782 12.182 1.00 0.00 C ATOM 958 NE ARG A 56 -8.284 9.240 13.562 1.00 0.00 N ATOM 959 CZ ARG A 56 -7.630 10.268 14.128 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.677 10.915 13.455 1.00 0.00 N ATOM 961 NH2 ARG A 56 -7.929 10.638 15.362 1.00 0.00 N ATOM 0 H ARG A 56 -7.881 6.111 8.318 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.346 4.846 10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.347 7.105 10.260 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.931 7.726 9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.709 7.383 12.146 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.168 6.673 12.583 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.010 8.780 11.962 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.543 9.491 11.497 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.971 8.744 14.130 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.441 10.630 12.505 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.185 11.695 13.891 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.654 10.143 15.881 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.434 11.418 15.795 1.00 0.00 H new ATOM 975 N SER A 57 -11.208 5.808 9.491 1.00 0.00 N ATOM 976 CA SER A 57 -12.631 5.650 9.698 1.00 0.00 C ATOM 977 C SER A 57 -13.148 4.251 9.268 1.00 0.00 C ATOM 978 O SER A 57 -13.900 3.609 10.001 1.00 0.00 O ATOM 979 CB SER A 57 -13.374 6.767 8.959 1.00 0.00 C ATOM 980 OG SER A 57 -12.848 8.044 9.338 1.00 0.00 O ATOM 0 H SER A 57 -10.953 6.288 8.628 1.00 0.00 H new ATOM 0 HA SER A 57 -12.827 5.724 10.768 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.275 6.629 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.438 6.721 9.190 1.00 0.00 H new ATOM 0 HG SER A 57 -13.329 8.751 8.859 1.00 0.00 H new ATOM 986 N SER A 58 -12.712 3.777 8.118 1.00 0.00 N ATOM 987 CA SER A 58 -13.235 2.545 7.553 1.00 0.00 C ATOM 988 C SER A 58 -12.665 1.277 8.232 1.00 0.00 C ATOM 989 O SER A 58 -13.380 0.283 8.403 1.00 0.00 O ATOM 990 CB SER A 58 -12.930 2.530 6.068 1.00 0.00 C ATOM 991 OG SER A 58 -13.238 3.788 5.498 1.00 0.00 O ATOM 0 H SER A 58 -11.993 4.228 7.552 1.00 0.00 H new ATOM 0 HA SER A 58 -14.311 2.524 7.729 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.878 2.296 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.509 1.748 5.577 1.00 0.00 H new ATOM 0 HG SER A 58 -13.503 3.667 4.562 1.00 0.00 H new ATOM 997 N GLY A 59 -11.406 1.314 8.620 1.00 0.00 N ATOM 998 CA GLY A 59 -10.786 0.135 9.208 1.00 0.00 C ATOM 999 C GLY A 59 -10.045 -0.678 8.164 1.00 0.00 C ATOM 1000 O GLY A 59 -9.694 -1.838 8.380 1.00 0.00 O ATOM 0 H GLY A 59 -10.798 2.130 8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.094 0.439 9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.550 -0.484 9.678 1.00 0.00 H new ATOM 1004 N TYR A 60 -9.828 -0.063 7.026 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.113 -0.676 5.919 1.00 0.00 C ATOM 1006 C TYR A 60 -7.660 -0.279 5.974 1.00 0.00 C ATOM 1007 O TYR A 60 -7.317 0.715 6.605 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.698 -0.219 4.577 1.00 0.00 C ATOM 1009 CG TYR A 60 -10.965 -0.926 4.151 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.159 -0.773 4.841 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -10.959 -1.738 3.029 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.304 -1.419 4.427 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.095 -2.383 2.608 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.263 -2.223 3.308 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.393 -2.884 2.891 1.00 0.00 O ATOM 0 H TYR A 60 -10.144 0.888 6.835 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.213 -1.758 6.004 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.899 0.851 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.944 -0.362 3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.192 -0.139 5.715 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.041 -1.866 2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.226 -1.296 4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.069 -3.013 1.731 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.260 -3.215 1.978 1.00 0.00 H new ATOM 1025 N ARG A 61 -6.811 -1.051 5.354 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.414 -0.736 5.287 1.00 0.00 C ATOM 1027 C ARG A 61 -4.807 -1.153 3.970 1.00 0.00 C ATOM 1028 O ARG A 61 -5.232 -2.129 3.345 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.568 -1.204 6.509 1.00 0.00 C ATOM 1030 CG ARG A 61 -4.674 -2.667 6.918 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.022 -2.989 7.544 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.339 -2.129 8.702 1.00 0.00 N ATOM 1033 CZ ARG A 61 -6.865 -2.552 9.870 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -7.016 -3.851 10.120 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.230 -1.670 10.791 1.00 0.00 N ATOM 0 H ARG A 61 -7.070 -1.917 4.881 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.374 0.352 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.521 -0.989 6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.850 -0.594 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.520 -3.300 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.880 -2.904 7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.802 -2.878 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.030 -4.032 7.860 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.144 -1.132 8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.732 -4.541 9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.415 -4.157 11.008 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.113 -0.672 10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.628 -1.990 11.674 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.851 -0.403 3.547 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.171 -0.622 2.308 1.00 0.00 C ATOM 1051 C LEU A 62 -1.708 -0.855 2.628 1.00 0.00 C ATOM 1052 O LEU A 62 -1.097 -0.056 3.333 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.397 0.623 1.407 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.854 0.603 -0.037 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.530 1.685 -0.848 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.367 0.851 -0.064 1.00 0.00 C ATOM 0 H LEU A 62 -3.506 0.405 4.065 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.545 -1.492 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.471 0.801 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.956 1.482 1.914 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.060 -0.381 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.145 1.669 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.606 1.510 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.327 2.657 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.013 0.831 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.153 1.826 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.858 0.076 0.509 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.166 -1.946 2.137 1.00 0.00 N ATOM 1069 CA VAL A 63 0.201 -2.323 2.421 1.00 0.00 C ATOM 1070 C VAL A 63 1.056 -2.186 1.172 1.00 0.00 C ATOM 1071 O VAL A 63 0.757 -2.787 0.117 1.00 0.00 O ATOM 1072 CB VAL A 63 0.283 -3.781 2.963 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.730 -4.197 3.215 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.533 -3.922 4.242 1.00 0.00 C ATOM 0 H VAL A 63 -1.661 -2.598 1.529 1.00 0.00 H new ATOM 0 HA VAL A 63 0.580 -1.651 3.191 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.133 -4.442 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.754 -5.219 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.292 -4.141 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.178 -3.528 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.464 -4.947 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.144 -3.241 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.576 -3.679 4.037 1.00 0.00 H new ATOM 1084 N TYR A 64 2.097 -1.409 1.276 1.00 0.00 N ATOM 1085 CA TYR A 64 2.997 -1.200 0.177 1.00 0.00 C ATOM 1086 C TYR A 64 4.435 -1.318 0.634 1.00 0.00 C ATOM 1087 O TYR A 64 4.722 -1.171 1.816 1.00 0.00 O ATOM 1088 CB TYR A 64 2.740 0.166 -0.513 1.00 0.00 C ATOM 1089 CG TYR A 64 2.823 1.415 0.369 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.009 1.818 0.969 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.709 2.199 0.568 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.067 2.957 1.739 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.759 3.338 1.333 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.943 3.713 1.918 1.00 0.00 C ATOM 1095 OH TYR A 64 3.001 4.848 2.691 1.00 0.00 O ATOM 0 H TYR A 64 2.346 -0.902 2.126 1.00 0.00 H new ATOM 0 HA TYR A 64 2.810 -1.979 -0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.459 0.276 -1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.749 0.136 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.902 1.227 0.829 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.773 1.911 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.998 3.252 2.200 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.871 3.936 1.474 1.00 0.00 H new ATOM 0 HH TYR A 64 3.900 5.234 2.638 1.00 0.00 H new ATOM 1105 N GLN A 65 5.317 -1.598 -0.280 1.00 0.00 N ATOM 1106 CA GLN A 65 6.723 -1.628 0.016 1.00 0.00 C ATOM 1107 C GLN A 65 7.366 -0.414 -0.618 1.00 0.00 C ATOM 1108 O GLN A 65 7.092 -0.088 -1.783 1.00 0.00 O ATOM 1109 CB GLN A 65 7.398 -2.939 -0.469 1.00 0.00 C ATOM 1110 CG GLN A 65 7.326 -3.179 -1.975 1.00 0.00 C ATOM 1111 CD GLN A 65 7.988 -4.473 -2.422 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.354 -5.521 -2.513 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.263 -4.413 -2.698 1.00 0.00 N ATOM 0 H GLN A 65 5.085 -1.812 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 65 6.860 -1.603 1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.445 -2.924 -0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.931 -3.781 0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.280 -3.192 -2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.799 -2.343 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.762 -3.528 -2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.760 -5.252 -2.999 1.00 0.00 H new ATOM 1122 N VAL A 66 8.156 0.289 0.128 1.00 0.00 N ATOM 1123 CA VAL A 66 8.828 1.435 -0.416 1.00 0.00 C ATOM 1124 C VAL A 66 10.212 1.021 -0.807 1.00 0.00 C ATOM 1125 O VAL A 66 11.048 0.720 0.046 1.00 0.00 O ATOM 1126 CB VAL A 66 8.893 2.633 0.580 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.671 3.803 -0.016 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.499 3.089 0.956 1.00 0.00 C ATOM 0 H VAL A 66 8.354 0.096 1.110 1.00 0.00 H new ATOM 0 HA VAL A 66 8.260 1.784 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 66 9.412 2.290 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.700 4.624 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.688 3.485 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.181 4.137 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.565 3.926 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.965 3.404 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.962 2.266 1.428 1.00 0.00 H new ATOM 1138 N ILE A 67 10.455 0.993 -2.075 1.00 0.00 N ATOM 1139 CA ILE A 67 11.729 0.619 -2.567 1.00 0.00 C ATOM 1140 C ILE A 67 12.468 1.889 -2.881 1.00 0.00 C ATOM 1141 O ILE A 67 12.267 2.473 -3.949 1.00 0.00 O ATOM 1142 CB ILE A 67 11.632 -0.226 -3.861 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.619 -1.366 -3.693 1.00 0.00 C ATOM 1144 CG2 ILE A 67 13.003 -0.799 -4.197 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.373 -2.156 -4.964 1.00 0.00 C ATOM 0 H ILE A 67 9.773 1.230 -2.795 1.00 0.00 H new ATOM 0 HA ILE A 67 12.236 0.012 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 67 11.293 0.417 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.974 -2.044 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.673 -0.951 -3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.935 -1.394 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.711 0.016 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.345 -1.430 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.646 -2.944 -4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.987 -1.491 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.309 -2.601 -5.302 1.00 0.00 H new ATOM 1157 N ASP A 68 13.281 2.343 -1.955 1.00 0.00 N ATOM 1158 CA ASP A 68 14.021 3.596 -2.140 1.00 0.00 C ATOM 1159 C ASP A 68 15.037 3.426 -3.240 1.00 0.00 C ATOM 1160 O ASP A 68 15.287 4.339 -4.018 1.00 0.00 O ATOM 1161 CB ASP A 68 14.709 4.040 -0.847 1.00 0.00 C ATOM 1162 CG ASP A 68 15.411 5.384 -0.980 1.00 0.00 C ATOM 1163 OD1 ASP A 68 16.598 5.427 -1.357 1.00 0.00 O ATOM 1164 OD2 ASP A 68 14.786 6.423 -0.684 1.00 0.00 O ATOM 0 H ASP A 68 13.455 1.875 -1.066 1.00 0.00 H new ATOM 0 HA ASP A 68 13.309 4.374 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.968 4.100 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.436 3.284 -0.550 1.00 0.00 H new ATOM 1169 N GLU A 69 15.552 2.215 -3.336 1.00 0.00 N ATOM 1170 CA GLU A 69 16.540 1.837 -4.340 1.00 0.00 C ATOM 1171 C GLU A 69 15.992 2.049 -5.764 1.00 0.00 C ATOM 1172 O GLU A 69 16.721 2.427 -6.673 1.00 0.00 O ATOM 1173 CB GLU A 69 16.910 0.370 -4.158 1.00 0.00 C ATOM 1174 CG GLU A 69 17.360 -0.002 -2.750 1.00 0.00 C ATOM 1175 CD GLU A 69 18.578 0.756 -2.295 1.00 0.00 C ATOM 1176 OE1 GLU A 69 19.691 0.457 -2.772 1.00 0.00 O ATOM 1177 OE2 GLU A 69 18.458 1.651 -1.440 1.00 0.00 O ATOM 0 H GLU A 69 15.295 1.451 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 69 17.420 2.467 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.049 -0.244 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.708 0.121 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.543 0.185 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.571 -1.071 -2.714 1.00 0.00 H new ATOM 1184 N LYS A 70 14.699 1.805 -5.939 1.00 0.00 N ATOM 1185 CA LYS A 70 14.057 1.959 -7.242 1.00 0.00 C ATOM 1186 C LYS A 70 13.220 3.231 -7.286 1.00 0.00 C ATOM 1187 O LYS A 70 12.634 3.561 -8.315 1.00 0.00 O ATOM 1188 CB LYS A 70 13.183 0.739 -7.578 1.00 0.00 C ATOM 1189 CG LYS A 70 13.951 -0.555 -7.807 1.00 0.00 C ATOM 1190 CD LYS A 70 13.009 -1.717 -8.114 1.00 0.00 C ATOM 1191 CE LYS A 70 13.776 -3.002 -8.411 1.00 0.00 C ATOM 1192 NZ LYS A 70 12.873 -4.150 -8.644 1.00 0.00 N ATOM 0 H LYS A 70 14.072 1.499 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 70 14.845 2.033 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.473 0.584 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.601 0.962 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.650 -0.423 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.544 -0.789 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.342 -1.879 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.382 -1.461 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.405 -2.853 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.440 -3.228 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.437 -5.001 -8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.290 -4.310 -7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.256 -3.947 -9.456 1.00 0.00 H new ATOM 1206 N VAL A 71 13.178 3.932 -6.151 1.00 0.00 N ATOM 1207 CA VAL A 71 12.433 5.190 -5.974 1.00 0.00 C ATOM 1208 C VAL A 71 10.915 4.948 -6.251 1.00 0.00 C ATOM 1209 O VAL A 71 10.179 5.827 -6.692 1.00 0.00 O ATOM 1210 CB VAL A 71 13.028 6.339 -6.888 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.428 7.706 -6.562 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.548 6.404 -6.758 1.00 0.00 C ATOM 0 H VAL A 71 13.671 3.638 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 71 12.540 5.525 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 71 12.761 6.090 -7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.867 8.461 -7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.349 7.676 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.639 7.958 -5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.934 7.200 -7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.816 6.606 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.981 5.452 -7.065 1.00 0.00 H new ATOM 1222 N VAL A 72 10.442 3.772 -5.916 1.00 0.00 N ATOM 1223 CA VAL A 72 9.065 3.435 -6.182 1.00 0.00 C ATOM 1224 C VAL A 72 8.405 2.802 -4.964 1.00 0.00 C ATOM 1225 O VAL A 72 9.018 2.021 -4.227 1.00 0.00 O ATOM 1226 CB VAL A 72 8.912 2.516 -7.448 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.616 1.184 -7.268 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.446 2.298 -7.821 1.00 0.00 C ATOM 0 H VAL A 72 10.985 3.038 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 72 8.548 4.370 -6.400 1.00 0.00 H new ATOM 0 HB VAL A 72 9.394 3.044 -8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.486 0.579 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.679 1.354 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.190 0.660 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.386 1.658 -8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.926 1.822 -6.990 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.979 3.259 -8.039 1.00 0.00 H new ATOM 1238 N VAL A 73 7.196 3.197 -4.741 1.00 0.00 N ATOM 1239 CA VAL A 73 6.357 2.667 -3.727 1.00 0.00 C ATOM 1240 C VAL A 73 5.441 1.664 -4.408 1.00 0.00 C ATOM 1241 O VAL A 73 4.627 2.031 -5.258 1.00 0.00 O ATOM 1242 CB VAL A 73 5.518 3.802 -3.089 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.611 3.272 -2.011 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.416 4.898 -2.538 1.00 0.00 C ATOM 0 H VAL A 73 6.749 3.932 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 73 6.940 2.197 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 73 4.894 4.230 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.036 4.093 -1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.930 2.536 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.209 2.803 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.803 5.683 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.075 4.480 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.015 5.318 -3.346 1.00 0.00 H new ATOM 1254 N PHE A 74 5.583 0.432 -4.058 1.00 0.00 N ATOM 1255 CA PHE A 74 4.875 -0.638 -4.710 1.00 0.00 C ATOM 1256 C PHE A 74 3.792 -1.188 -3.802 1.00 0.00 C ATOM 1257 O PHE A 74 4.091 -1.779 -2.764 1.00 0.00 O ATOM 1258 CB PHE A 74 5.893 -1.723 -5.103 1.00 0.00 C ATOM 1259 CG PHE A 74 5.328 -2.958 -5.749 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.819 -2.916 -7.031 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.339 -4.169 -5.077 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.332 -4.057 -7.631 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.851 -5.310 -5.669 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.349 -5.253 -6.947 1.00 0.00 C ATOM 0 H PHE A 74 6.198 0.126 -3.304 1.00 0.00 H new ATOM 0 HA PHE A 74 4.379 -0.272 -5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.619 -1.281 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.438 -2.023 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.802 -1.980 -7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.736 -4.218 -4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.938 -4.014 -8.636 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.862 -6.247 -5.132 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.967 -6.148 -7.416 1.00 0.00 H new ATOM 1274 N VAL A 75 2.544 -0.955 -4.168 1.00 0.00 N ATOM 1275 CA VAL A 75 1.410 -1.456 -3.413 1.00 0.00 C ATOM 1276 C VAL A 75 1.299 -2.947 -3.642 1.00 0.00 C ATOM 1277 O VAL A 75 1.151 -3.395 -4.784 1.00 0.00 O ATOM 1278 CB VAL A 75 0.081 -0.751 -3.817 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.106 -1.300 -3.023 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.199 0.760 -3.634 1.00 0.00 C ATOM 0 H VAL A 75 2.289 -0.415 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 75 1.575 -1.243 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.100 -0.960 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.017 -0.787 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.209 -2.368 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.938 -1.137 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.739 1.236 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.415 0.984 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.006 1.141 -4.261 1.00 0.00 H new ATOM 1290 N ILE A 76 1.365 -3.700 -2.569 1.00 0.00 N ATOM 1291 CA ILE A 76 1.390 -5.141 -2.663 1.00 0.00 C ATOM 1292 C ILE A 76 -0.001 -5.711 -2.431 1.00 0.00 C ATOM 1293 O ILE A 76 -0.442 -6.617 -3.133 1.00 0.00 O ATOM 1294 CB ILE A 76 2.342 -5.749 -1.608 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.696 -5.041 -1.610 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.545 -7.218 -1.904 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.621 -5.510 -0.507 1.00 0.00 C ATOM 0 H ILE A 76 1.403 -3.337 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 76 1.741 -5.396 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 76 1.890 -5.621 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.180 -5.202 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.537 -3.968 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.216 -7.649 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.585 -7.733 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.981 -7.332 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.564 -4.966 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.156 -5.324 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.810 -6.578 -0.620 1.00 0.00 H new ATOM 1309 N SER A 77 -0.694 -5.169 -1.460 1.00 0.00 N ATOM 1310 CA SER A 77 -1.995 -5.652 -1.119 1.00 0.00 C ATOM 1311 C SER A 77 -2.781 -4.510 -0.493 1.00 0.00 C ATOM 1312 O SER A 77 -2.190 -3.590 0.090 1.00 0.00 O ATOM 1313 CB SER A 77 -1.863 -6.841 -0.148 1.00 0.00 C ATOM 1314 OG SER A 77 -3.104 -7.503 0.037 1.00 0.00 O ATOM 0 H SER A 77 -0.369 -4.387 -0.892 1.00 0.00 H new ATOM 0 HA SER A 77 -2.524 -6.002 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.127 -7.547 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.492 -6.487 0.814 1.00 0.00 H new ATOM 0 HG SER A 77 -3.199 -8.213 -0.632 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.081 -4.546 -0.631 1.00 0.00 N ATOM 1321 CA VAL A 78 -4.929 -3.499 -0.121 1.00 0.00 C ATOM 1322 C VAL A 78 -6.291 -4.073 0.283 1.00 0.00 C ATOM 1323 O VAL A 78 -6.821 -4.963 -0.394 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.088 -2.343 -1.171 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.670 -2.839 -2.487 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -5.921 -1.203 -0.624 1.00 0.00 C ATOM 0 H VAL A 78 -4.582 -5.301 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.460 -3.073 0.766 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.084 -1.969 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.762 -2.004 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.012 -3.596 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.654 -3.273 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.009 -0.422 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.914 -1.570 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.441 -0.795 0.265 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.814 -3.629 1.407 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.118 -4.059 1.824 1.00 0.00 C ATOM 1338 C GLY A 79 -8.234 -4.168 3.316 1.00 0.00 C ATOM 1339 O GLY A 79 -7.736 -3.318 4.054 1.00 0.00 O ATOM 0 H GLY A 79 -6.354 -2.975 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.865 -3.356 1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.340 -5.026 1.373 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.898 -5.184 3.762 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.067 -5.422 5.166 1.00 0.00 C ATOM 1345 C LYS A 80 -8.116 -6.504 5.623 1.00 0.00 C ATOM 1346 O LYS A 80 -7.623 -7.303 4.815 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.518 -5.806 5.491 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.516 -4.684 5.262 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.945 -5.097 5.607 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.507 -6.150 4.657 1.00 0.00 C ATOM 1351 NZ LYS A 80 -13.653 -5.650 3.266 1.00 0.00 N ATOM 0 H LYS A 80 -9.343 -5.879 3.162 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.839 -4.500 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.803 -6.663 4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.575 -6.124 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.234 -3.822 5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.473 -4.370 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.969 -5.484 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.587 -4.216 5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.852 -7.021 4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.479 -6.482 5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.425 -6.162 2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.871 -4.633 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.765 -5.804 2.747 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.852 -6.524 6.890 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.987 -7.507 7.472 1.00 0.00 C ATOM 1367 C ALA A 81 -7.731 -8.167 8.591 1.00 0.00 C ATOM 1368 O ALA A 81 -7.829 -7.613 9.692 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.700 -6.864 7.979 1.00 0.00 C ATOM 0 H ALA A 81 -8.233 -5.854 7.558 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.702 -8.247 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.059 -7.629 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.180 -6.387 7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.940 -6.116 8.735 1.00 0.00 H new ATOM 1426 N VAL A 86 -4.221 -9.179 3.676 1.00 0.00 N ATOM 1427 CA VAL A 86 -3.166 -8.306 3.201 1.00 0.00 C ATOM 1428 C VAL A 86 -1.773 -8.841 3.527 1.00 0.00 C ATOM 1429 O VAL A 86 -0.839 -8.590 2.798 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.316 -6.842 3.712 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.607 -6.221 3.198 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.260 -6.772 5.234 1.00 0.00 C ATOM 0 HA VAL A 86 -3.276 -8.290 2.117 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.474 -6.270 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.691 -5.199 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.599 -6.214 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.457 -6.805 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.368 -5.736 5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.069 -7.369 5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.303 -7.162 5.581 1.00 0.00 H new ATOM 1442 N TYR A 87 -1.654 -9.619 4.593 1.00 0.00 N ATOM 1443 CA TYR A 87 -0.352 -10.121 5.013 1.00 0.00 C ATOM 1444 C TYR A 87 0.092 -11.276 4.153 1.00 0.00 C ATOM 1445 O TYR A 87 1.217 -11.276 3.653 1.00 0.00 O ATOM 1446 CB TYR A 87 -0.330 -10.533 6.484 1.00 0.00 C ATOM 1447 CG TYR A 87 -0.473 -9.396 7.471 1.00 0.00 C ATOM 1448 CD1 TYR A 87 0.624 -8.615 7.810 1.00 0.00 C ATOM 1449 CD2 TYR A 87 -1.689 -9.121 8.083 1.00 0.00 C ATOM 1450 CE1 TYR A 87 0.515 -7.593 8.730 1.00 0.00 C ATOM 1451 CE2 TYR A 87 -1.809 -8.095 8.999 1.00 0.00 C ATOM 1452 CZ TYR A 87 -0.704 -7.337 9.323 1.00 0.00 C ATOM 1453 OH TYR A 87 -0.817 -6.321 10.252 1.00 0.00 O ATOM 0 H TYR A 87 -2.435 -9.915 5.179 1.00 0.00 H new ATOM 0 HA TYR A 87 0.347 -9.294 4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.135 -11.247 6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.607 -11.053 6.686 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.579 -8.811 7.345 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.554 -9.719 7.839 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.379 -6.997 8.985 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.764 -7.887 9.459 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.742 -6.272 10.572 1.00 0.00 H new ATOM 1463 N SER A 88 -0.798 -12.241 3.957 1.00 0.00 N ATOM 1464 CA SER A 88 -0.500 -13.414 3.167 1.00 0.00 C ATOM 1465 C SER A 88 -0.159 -13.029 1.733 1.00 0.00 C ATOM 1466 O SER A 88 0.819 -13.536 1.164 1.00 0.00 O ATOM 1467 CB SER A 88 -1.675 -14.379 3.206 1.00 0.00 C ATOM 1468 OG SER A 88 -1.994 -14.735 4.550 1.00 0.00 O ATOM 0 H SER A 88 -1.742 -12.226 4.343 1.00 0.00 H new ATOM 0 HA SER A 88 0.372 -13.910 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.543 -13.922 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.434 -15.276 2.635 1.00 0.00 H new ATOM 0 HG SER A 88 -2.753 -15.355 4.553 1.00 0.00 H new ATOM 1474 N GLU A 89 -0.924 -12.101 1.165 1.00 0.00 N ATOM 1475 CA GLU A 89 -0.647 -11.643 -0.176 1.00 0.00 C ATOM 1476 C GLU A 89 0.642 -10.859 -0.222 1.00 0.00 C ATOM 1477 O GLU A 89 1.390 -10.976 -1.164 1.00 0.00 O ATOM 1478 CB GLU A 89 -1.797 -10.823 -0.763 1.00 0.00 C ATOM 1479 CG GLU A 89 -3.056 -11.628 -1.030 1.00 0.00 C ATOM 1480 CD GLU A 89 -2.801 -12.809 -1.941 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -2.561 -12.619 -3.151 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -2.837 -13.962 -1.461 1.00 0.00 O ATOM 0 H GLU A 89 -1.728 -11.661 1.612 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.539 -12.533 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.037 -10.010 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.465 -10.367 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.465 -11.983 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.809 -10.981 -1.480 1.00 0.00 H new ATOM 1489 N ALA A 90 0.921 -10.099 0.828 1.00 0.00 N ATOM 1490 CA ALA A 90 2.127 -9.300 0.880 1.00 0.00 C ATOM 1491 C ALA A 90 3.370 -10.169 0.922 1.00 0.00 C ATOM 1492 O ALA A 90 4.234 -10.052 0.061 1.00 0.00 O ATOM 1493 CB ALA A 90 2.111 -8.326 2.046 1.00 0.00 C ATOM 0 H ALA A 90 0.326 -10.022 1.653 1.00 0.00 H new ATOM 0 HA ALA A 90 2.157 -8.715 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.034 -7.746 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.260 -7.653 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.028 -8.879 2.981 1.00 0.00 H new