USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0207) USER MOD Set 1.2: A 51 SER OG : rot -107:sc= 1.14 USER MOD Set 2.1: A 32 SER OG : rot 83:sc= 0.419 USER MOD Set 2.2: A 33 GLN : amide:sc= 0.225 X(o=0.64,f=0.48) USER MOD Set 3.1: A 23 ASN : amide:sc= 0.16 K(o=0.46,f=-2.3!) USER MOD Set 3.2: A 26 THR OG1 : rot -158:sc= 0.296 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 88:sc= 0.767 USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 1.28 (180deg=0.98) USER MOD Single : A 12 GLN : amide:sc= 0.471 K(o=0.47,f=-0.2) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= -0.163 (180deg=-0.494) USER MOD Single : A 17 MET CE :methyl -172:sc=-0.00803 (180deg=-0.0869) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 72:sc= 1.43 USER MOD Single : A 29 GLN : amide:sc= 1.17 K(o=1.2,f=-0.038) USER MOD Single : A 37 LYS NZ :NH3+ 133:sc= 1.44 (180deg=0.964) USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= 0.88 (180deg=-0.386) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -166:sc=-0.00411 (180deg=-0.195) USER MOD Single : A 57 SER OG : rot -152:sc= 1.13 USER MOD Single : A 62 THR OG1 : rot -71:sc= 1.21 USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 1.53 (180deg=1.4) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 1.29 (180deg=0.736) USER MOD Single : A 67 GLN : amide:sc= 0.444 K(o=0.44,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -14.970 -2.998 6.169 1.00 0.00 N ATOM 11 CA TYR A 2 -13.742 -2.952 6.990 1.00 0.00 C ATOM 12 C TYR A 2 -12.476 -2.754 6.140 1.00 0.00 C ATOM 13 O TYR A 2 -11.465 -2.232 6.621 1.00 0.00 O ATOM 14 CB TYR A 2 -13.651 -4.243 7.828 1.00 0.00 C ATOM 15 CG TYR A 2 -12.376 -4.448 8.642 1.00 0.00 C ATOM 16 CD1 TYR A 2 -11.896 -3.442 9.505 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.684 -5.675 8.562 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.730 -3.653 10.267 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.527 -5.899 9.333 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.041 -4.885 10.193 1.00 0.00 C ATOM 21 OH TYR A 2 -8.934 -5.094 10.958 1.00 0.00 O ATOM 0 HA TYR A 2 -13.802 -2.087 7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.498 -4.263 8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.765 -5.093 7.155 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.425 -2.504 9.582 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.045 -6.450 7.903 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.360 -2.869 10.911 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.010 -6.845 9.268 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.583 -5.993 10.787 1.00 0.00 H new ATOM 31 N PHE A 3 -12.542 -3.137 4.861 1.00 0.00 N ATOM 32 CA PHE A 3 -11.493 -2.903 3.891 1.00 0.00 C ATOM 33 C PHE A 3 -11.005 -1.459 3.858 1.00 0.00 C ATOM 34 O PHE A 3 -9.795 -1.287 3.734 1.00 0.00 O ATOM 35 CB PHE A 3 -11.918 -3.365 2.491 1.00 0.00 C ATOM 36 CG PHE A 3 -11.768 -4.845 2.218 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.492 -5.432 2.333 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.848 -5.610 1.744 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.299 -6.788 2.027 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.657 -6.969 1.437 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.387 -7.556 1.584 1.00 0.00 C ATOM 0 H PHE A 3 -13.348 -3.628 4.473 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.646 -3.505 4.219 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.961 -3.089 2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.332 -2.816 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.655 -4.833 2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.820 -5.156 1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.322 -7.236 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.488 -7.564 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.249 -8.602 1.355 1.00 0.00 H new ATOM 51 N CYS A 4 -11.874 -0.448 3.994 1.00 0.00 N ATOM 52 CA CYS A 4 -11.435 0.932 3.826 1.00 0.00 C ATOM 53 C CYS A 4 -10.324 1.307 4.802 1.00 0.00 C ATOM 54 O CYS A 4 -9.248 1.700 4.362 1.00 0.00 O ATOM 55 CB CYS A 4 -12.580 1.950 4.024 1.00 0.00 C ATOM 56 SG CYS A 4 -11.962 3.669 4.002 1.00 0.00 S ATOM 0 H CYS A 4 -12.863 -0.561 4.215 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.070 0.981 2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.323 1.820 3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.081 1.755 4.972 1.00 0.00 H new ATOM 0 HG CYS A 4 -12.956 4.490 4.169 1.00 0.00 H new ATOM 61 N GLU A 5 -10.595 1.237 6.109 1.00 0.00 N ATOM 62 CA GLU A 5 -9.672 1.698 7.143 1.00 0.00 C ATOM 63 C GLU A 5 -8.402 0.852 7.033 1.00 0.00 C ATOM 64 O GLU A 5 -7.302 1.393 6.962 1.00 0.00 O ATOM 65 CB GLU A 5 -10.335 1.664 8.528 1.00 0.00 C ATOM 66 CG GLU A 5 -9.670 2.600 9.559 1.00 0.00 C ATOM 67 CD GLU A 5 -8.150 2.502 9.723 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.674 1.447 10.198 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.457 3.523 9.486 1.00 0.00 O ATOM 0 H GLU A 5 -11.466 0.856 6.478 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.398 2.743 7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.385 1.939 8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.309 0.643 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.914 3.627 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.127 2.410 10.530 1.00 0.00 H new ATOM 76 N SER A 6 -8.564 -0.473 6.951 1.00 0.00 N ATOM 77 CA SER A 6 -7.462 -1.400 6.752 1.00 0.00 C ATOM 78 C SER A 6 -6.566 -0.937 5.595 1.00 0.00 C ATOM 79 O SER A 6 -5.366 -0.754 5.777 1.00 0.00 O ATOM 80 CB SER A 6 -8.026 -2.794 6.453 1.00 0.00 C ATOM 81 OG SER A 6 -8.898 -3.255 7.465 1.00 0.00 O ATOM 0 H SER A 6 -9.474 -0.929 7.022 1.00 0.00 H new ATOM 0 HA SER A 6 -6.857 -1.434 7.658 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.559 -2.770 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.202 -3.499 6.339 1.00 0.00 H new ATOM 0 HG SER A 6 -9.811 -2.956 7.271 1.00 0.00 H new ATOM 87 N CYS A 7 -7.138 -0.729 4.409 1.00 0.00 N ATOM 88 CA CYS A 7 -6.439 -0.309 3.206 1.00 0.00 C ATOM 89 C CYS A 7 -5.760 1.043 3.396 1.00 0.00 C ATOM 90 O CYS A 7 -4.583 1.184 3.082 1.00 0.00 O ATOM 91 CB CYS A 7 -7.442 -0.255 2.057 1.00 0.00 C ATOM 92 SG CYS A 7 -6.759 0.310 0.481 1.00 0.00 S ATOM 0 H CYS A 7 -8.139 -0.855 4.260 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.652 -1.028 2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.867 -1.249 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.262 0.406 2.339 1.00 0.00 H new ATOM 97 N ARG A 8 -6.493 2.029 3.912 1.00 0.00 N ATOM 98 CA ARG A 8 -6.025 3.373 4.230 1.00 0.00 C ATOM 99 C ARG A 8 -4.751 3.270 5.058 1.00 0.00 C ATOM 100 O ARG A 8 -3.739 3.853 4.685 1.00 0.00 O ATOM 101 CB ARG A 8 -7.193 4.077 4.942 1.00 0.00 C ATOM 102 CG ARG A 8 -6.924 5.417 5.631 1.00 0.00 C ATOM 103 CD ARG A 8 -8.125 5.686 6.553 1.00 0.00 C ATOM 104 NE ARG A 8 -8.027 6.990 7.215 1.00 0.00 N ATOM 105 CZ ARG A 8 -7.468 7.244 8.406 1.00 0.00 C ATOM 106 NH1 ARG A 8 -7.048 6.265 9.211 1.00 0.00 N ATOM 107 NH2 ARG A 8 -7.327 8.511 8.790 1.00 0.00 N ATOM 0 H ARG A 8 -7.481 1.903 4.130 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.755 3.963 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.983 4.234 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.586 3.391 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.997 5.379 6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.813 6.215 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.046 5.643 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.187 4.901 7.306 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.426 7.786 6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.149 5.291 8.925 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.626 6.491 10.112 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.642 9.266 8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.904 8.726 9.693 1.00 0.00 H new ATOM 121 N LYS A 9 -4.789 2.510 6.151 1.00 0.00 N ATOM 122 CA LYS A 9 -3.658 2.291 7.041 1.00 0.00 C ATOM 123 C LYS A 9 -2.514 1.556 6.334 1.00 0.00 C ATOM 124 O LYS A 9 -1.353 1.890 6.556 1.00 0.00 O ATOM 125 CB LYS A 9 -4.196 1.533 8.262 1.00 0.00 C ATOM 126 CG LYS A 9 -3.213 1.474 9.439 1.00 0.00 C ATOM 127 CD LYS A 9 -3.958 1.083 10.726 1.00 0.00 C ATOM 128 CE LYS A 9 -4.749 2.281 11.281 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.889 1.862 12.119 1.00 0.00 N ATOM 0 H LYS A 9 -5.632 2.018 6.447 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.220 3.237 7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.119 2.008 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.451 0.516 7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.426 0.750 9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.729 2.442 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.637 0.255 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.245 0.734 11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.082 2.912 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.114 2.887 10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.286 2.691 12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.620 1.429 11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.565 1.170 12.825 1.00 0.00 H new ATOM 143 N ILE A 10 -2.828 0.565 5.497 1.00 0.00 N ATOM 144 CA ILE A 10 -1.858 -0.206 4.724 1.00 0.00 C ATOM 145 C ILE A 10 -1.111 0.714 3.745 1.00 0.00 C ATOM 146 O ILE A 10 0.118 0.671 3.730 1.00 0.00 O ATOM 147 CB ILE A 10 -2.546 -1.448 4.101 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.833 -2.481 5.218 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.692 -2.142 3.028 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.907 -3.509 4.841 1.00 0.00 C ATOM 0 H ILE A 10 -3.791 0.270 5.335 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.076 -0.615 5.364 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.459 -1.092 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.909 -3.006 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.147 -1.953 6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.232 -3.003 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.485 -1.442 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.753 -2.475 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.056 -4.200 5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.843 -2.994 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.586 -4.064 3.959 1.00 0.00 H new ATOM 162 N ILE A 11 -1.807 1.549 2.959 1.00 0.00 N ATOM 163 CA ILE A 11 -1.153 2.536 2.101 1.00 0.00 C ATOM 164 C ILE A 11 -0.361 3.504 2.982 1.00 0.00 C ATOM 165 O ILE A 11 0.810 3.712 2.700 1.00 0.00 O ATOM 166 CB ILE A 11 -2.139 3.289 1.169 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.846 2.417 0.102 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.413 4.436 0.437 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.936 1.613 -0.829 1.00 0.00 C ATOM 0 H ILE A 11 -2.825 1.557 2.903 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.478 2.006 1.429 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.915 3.653 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.511 1.722 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.473 3.066 -0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.117 4.956 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.009 5.136 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.599 4.028 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.545 1.044 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.287 2.293 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.326 0.928 -0.240 1.00 0.00 H new ATOM 181 N GLN A 12 -0.954 4.074 4.036 1.00 0.00 N ATOM 182 CA GLN A 12 -0.288 5.077 4.867 1.00 0.00 C ATOM 183 C GLN A 12 1.056 4.575 5.380 1.00 0.00 C ATOM 184 O GLN A 12 2.042 5.289 5.271 1.00 0.00 O ATOM 185 CB GLN A 12 -1.176 5.489 6.049 1.00 0.00 C ATOM 186 CG GLN A 12 -2.270 6.475 5.630 1.00 0.00 C ATOM 187 CD GLN A 12 -1.884 7.923 5.932 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.385 8.487 6.898 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.024 8.553 5.146 1.00 0.00 N ATOM 0 H GLN A 12 -1.904 3.853 4.334 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.111 5.949 4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.636 4.601 6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.559 5.941 6.825 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.466 6.367 4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.196 6.231 6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.616 8.070 4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.770 9.521 5.341 1.00 0.00 H new ATOM 198 N LYS A 13 1.131 3.358 5.928 1.00 0.00 N ATOM 199 CA LYS A 13 2.407 2.841 6.418 1.00 0.00 C ATOM 200 C LYS A 13 3.411 2.624 5.280 1.00 0.00 C ATOM 201 O LYS A 13 4.605 2.621 5.560 1.00 0.00 O ATOM 202 CB LYS A 13 2.193 1.600 7.293 1.00 0.00 C ATOM 203 CG LYS A 13 3.367 1.273 8.239 1.00 0.00 C ATOM 204 CD LYS A 13 3.653 2.360 9.297 1.00 0.00 C ATOM 205 CE LYS A 13 4.859 3.220 8.900 1.00 0.00 C ATOM 206 NZ LYS A 13 5.163 4.305 9.859 1.00 0.00 N ATOM 0 H LYS A 13 0.339 2.725 6.041 1.00 0.00 H new ATOM 0 HA LYS A 13 2.860 3.597 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.292 1.743 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.015 0.741 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.156 0.333 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.266 1.118 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.775 2.994 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.841 1.890 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.735 2.578 8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.674 3.657 7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.055 4.767 9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.394 5.005 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.254 3.907 10.816 1.00 0.00 H new ATOM 220 N LEU A 14 2.961 2.345 4.051 1.00 0.00 N ATOM 221 CA LEU A 14 3.839 2.252 2.885 1.00 0.00 C ATOM 222 C LEU A 14 4.418 3.644 2.646 1.00 0.00 C ATOM 223 O LEU A 14 5.624 3.835 2.697 1.00 0.00 O ATOM 224 CB LEU A 14 3.052 1.768 1.637 1.00 0.00 C ATOM 225 CG LEU A 14 3.882 1.299 0.425 1.00 0.00 C ATOM 226 CD1 LEU A 14 5.087 2.162 0.054 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.365 -0.123 0.654 1.00 0.00 C ATOM 0 H LEU A 14 1.977 2.178 3.840 1.00 0.00 H new ATOM 0 HA LEU A 14 4.634 1.527 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.404 0.946 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.403 2.580 1.309 1.00 0.00 H new ATOM 0 HG LEU A 14 3.193 1.380 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.590 1.732 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.752 3.171 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.780 2.200 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.951 -0.451 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.984 -0.157 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.507 -0.783 0.781 1.00 0.00 H new ATOM 239 N GLU A 15 3.519 4.587 2.394 1.00 0.00 N ATOM 240 CA GLU A 15 3.708 5.972 2.007 1.00 0.00 C ATOM 241 C GLU A 15 4.652 6.698 2.966 1.00 0.00 C ATOM 242 O GLU A 15 5.622 7.306 2.530 1.00 0.00 O ATOM 243 CB GLU A 15 2.267 6.534 1.963 1.00 0.00 C ATOM 244 CG GLU A 15 2.035 7.954 1.442 1.00 0.00 C ATOM 245 CD GLU A 15 0.566 8.411 1.600 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.151 7.943 2.522 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.127 9.252 0.776 1.00 0.00 O ATOM 0 H GLU A 15 2.525 4.369 2.466 1.00 0.00 H new ATOM 0 HA GLU A 15 4.202 6.102 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.670 5.858 1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.865 6.486 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.686 8.645 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.316 8.002 0.390 1.00 0.00 H new ATOM 254 N ASP A 16 4.407 6.563 4.266 1.00 0.00 N ATOM 255 CA ASP A 16 5.226 7.062 5.369 1.00 0.00 C ATOM 256 C ASP A 16 6.663 6.567 5.283 1.00 0.00 C ATOM 257 O ASP A 16 7.588 7.359 5.437 1.00 0.00 O ATOM 258 CB ASP A 16 4.528 6.578 6.655 1.00 0.00 C ATOM 259 CG ASP A 16 5.316 6.538 7.965 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.340 5.821 8.037 1.00 0.00 O ATOM 261 OD2 ASP A 16 4.684 6.781 9.020 1.00 0.00 O ATOM 0 H ASP A 16 3.578 6.071 4.600 1.00 0.00 H new ATOM 0 HA ASP A 16 5.303 8.149 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.658 7.215 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.155 5.571 6.466 1.00 0.00 H new ATOM 266 N MET A 17 6.855 5.268 5.043 1.00 0.00 N ATOM 267 CA MET A 17 8.185 4.685 5.071 1.00 0.00 C ATOM 268 C MET A 17 8.939 4.925 3.775 1.00 0.00 C ATOM 269 O MET A 17 10.135 5.195 3.836 1.00 0.00 O ATOM 270 CB MET A 17 8.133 3.186 5.377 1.00 0.00 C ATOM 271 CG MET A 17 7.612 2.948 6.796 1.00 0.00 C ATOM 272 SD MET A 17 7.773 1.260 7.458 1.00 0.00 S ATOM 273 CE MET A 17 7.477 0.214 6.002 1.00 0.00 C ATOM 0 H MET A 17 6.107 4.609 4.829 1.00 0.00 H new ATOM 0 HA MET A 17 8.726 5.186 5.874 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.487 2.684 4.657 1.00 0.00 H new ATOM 0 HB3 MET A 17 9.127 2.752 5.270 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.135 3.628 7.468 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.558 3.224 6.821 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.409 -0.829 6.311 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.544 0.512 5.523 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.300 0.331 5.297 1.00 0.00 H new ATOM 283 N VAL A 18 8.322 4.648 2.619 1.00 0.00 N ATOM 284 CA VAL A 18 8.999 4.882 1.351 1.00 0.00 C ATOM 285 C VAL A 18 9.315 6.380 1.194 1.00 0.00 C ATOM 286 O VAL A 18 10.313 6.737 0.574 1.00 0.00 O ATOM 287 CB VAL A 18 8.224 4.241 0.189 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.053 5.070 -0.334 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.169 3.759 -0.910 1.00 0.00 C ATOM 0 H VAL A 18 7.378 4.271 2.541 1.00 0.00 H new ATOM 0 HA VAL A 18 9.967 4.381 1.335 1.00 0.00 H new ATOM 0 HB VAL A 18 7.737 3.360 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.567 4.538 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.335 5.233 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.420 6.031 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.590 3.311 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.738 4.604 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.855 3.017 -0.501 1.00 0.00 H new ATOM 299 N GLY A 19 8.456 7.240 1.758 1.00 0.00 N ATOM 300 CA GLY A 19 8.565 8.683 1.723 1.00 0.00 C ATOM 301 C GLY A 19 8.084 9.249 0.380 1.00 0.00 C ATOM 302 O GLY A 19 7.426 8.553 -0.403 1.00 0.00 O ATOM 0 H GLY A 19 7.634 6.922 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.976 9.114 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.601 8.975 1.892 1.00 0.00 H new ATOM 306 N PRO A 20 8.326 10.545 0.119 1.00 0.00 N ATOM 307 CA PRO A 20 7.981 11.169 -1.139 1.00 0.00 C ATOM 308 C PRO A 20 8.920 10.671 -2.238 1.00 0.00 C ATOM 309 O PRO A 20 10.000 10.147 -1.987 1.00 0.00 O ATOM 310 CB PRO A 20 8.136 12.674 -0.900 1.00 0.00 C ATOM 311 CG PRO A 20 9.291 12.732 0.095 1.00 0.00 C ATOM 312 CD PRO A 20 9.075 11.477 0.939 1.00 0.00 C ATOM 0 HA PRO A 20 6.969 10.930 -1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.366 13.210 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.227 13.116 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.258 12.720 -0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.258 13.637 0.701 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.029 11.046 1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.529 11.714 1.852 1.00 0.00 H new ATOM 320 N GLN A 21 8.478 10.923 -3.465 1.00 0.00 N ATOM 321 CA GLN A 21 9.117 10.588 -4.741 1.00 0.00 C ATOM 322 C GLN A 21 9.914 9.264 -4.689 1.00 0.00 C ATOM 323 O GLN A 21 11.116 9.263 -4.957 1.00 0.00 O ATOM 324 CB GLN A 21 9.975 11.787 -5.198 1.00 0.00 C ATOM 325 CG GLN A 21 9.126 13.024 -5.540 1.00 0.00 C ATOM 326 CD GLN A 21 9.960 14.291 -5.724 1.00 0.00 C ATOM 327 OE1 GLN A 21 9.605 15.343 -5.212 1.00 0.00 O ATOM 328 NE2 GLN A 21 11.063 14.241 -6.454 1.00 0.00 N ATOM 0 H GLN A 21 7.591 11.406 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 21 8.341 10.406 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.684 12.043 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.560 11.499 -6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.564 12.830 -6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.397 13.188 -4.746 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.354 13.360 -6.879 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.622 15.083 -6.592 1.00 0.00 H new ATOM 337 N PRO A 22 9.267 8.126 -4.369 1.00 0.00 N ATOM 338 CA PRO A 22 9.938 6.837 -4.324 1.00 0.00 C ATOM 339 C PRO A 22 10.109 6.282 -5.750 1.00 0.00 C ATOM 340 O PRO A 22 9.827 6.961 -6.738 1.00 0.00 O ATOM 341 CB PRO A 22 9.013 5.990 -3.461 1.00 0.00 C ATOM 342 CG PRO A 22 7.640 6.430 -3.944 1.00 0.00 C ATOM 343 CD PRO A 22 7.843 7.941 -4.096 1.00 0.00 C ATOM 0 HA PRO A 22 10.947 6.869 -3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.176 4.923 -3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.154 6.186 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.365 5.956 -4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.856 6.191 -3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.234 8.338 -4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.547 8.469 -3.189 1.00 0.00 H new ATOM 351 N ASN A 23 10.475 5.004 -5.875 1.00 0.00 N ATOM 352 CA ASN A 23 10.625 4.332 -7.161 1.00 0.00 C ATOM 353 C ASN A 23 10.040 2.925 -7.073 1.00 0.00 C ATOM 354 O ASN A 23 9.870 2.361 -5.993 1.00 0.00 O ATOM 355 CB ASN A 23 12.100 4.269 -7.594 1.00 0.00 C ATOM 356 CG ASN A 23 12.872 3.251 -6.768 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.766 2.051 -6.995 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.602 3.706 -5.766 1.00 0.00 N ATOM 0 H ASN A 23 10.677 4.403 -5.076 1.00 0.00 H new ATOM 0 HA ASN A 23 10.084 4.906 -7.913 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.161 4.006 -8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.557 5.253 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.096 3.053 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.672 4.710 -5.601 1.00 0.00 H new ATOM 365 N GLU A 24 9.673 2.423 -8.247 1.00 0.00 N ATOM 366 CA GLU A 24 8.996 1.170 -8.545 1.00 0.00 C ATOM 367 C GLU A 24 9.478 -0.051 -7.749 1.00 0.00 C ATOM 368 O GLU A 24 8.645 -0.841 -7.287 1.00 0.00 O ATOM 369 CB GLU A 24 9.114 1.005 -10.071 1.00 0.00 C ATOM 370 CG GLU A 24 8.334 -0.156 -10.689 1.00 0.00 C ATOM 371 CD GLU A 24 6.825 0.047 -10.593 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.272 -0.047 -9.476 1.00 0.00 O ATOM 373 OE2 GLU A 24 6.133 0.104 -11.629 1.00 0.00 O ATOM 0 H GLU A 24 9.864 2.942 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 24 7.957 1.220 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.781 1.930 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.168 0.881 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.618 -0.266 -11.736 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.607 -1.083 -10.186 1.00 0.00 H new ATOM 380 N ASP A 25 10.790 -0.204 -7.551 1.00 0.00 N ATOM 381 CA ASP A 25 11.322 -1.291 -6.730 1.00 0.00 C ATOM 382 C ASP A 25 11.027 -1.022 -5.268 1.00 0.00 C ATOM 383 O ASP A 25 10.348 -1.815 -4.619 1.00 0.00 O ATOM 384 CB ASP A 25 12.834 -1.491 -6.889 1.00 0.00 C ATOM 385 CG ASP A 25 13.311 -2.447 -5.787 1.00 0.00 C ATOM 386 OD1 ASP A 25 13.010 -3.655 -5.888 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.861 -1.938 -4.781 1.00 0.00 O ATOM 0 H ASP A 25 11.501 0.411 -7.948 1.00 0.00 H new ATOM 0 HA ASP A 25 10.830 -2.200 -7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.062 -1.902 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.354 -0.536 -6.814 1.00 0.00 H new ATOM 392 N THR A 26 11.492 0.118 -4.758 1.00 0.00 N ATOM 393 CA THR A 26 11.401 0.437 -3.346 1.00 0.00 C ATOM 394 C THR A 26 9.948 0.394 -2.865 1.00 0.00 C ATOM 395 O THR A 26 9.691 -0.104 -1.774 1.00 0.00 O ATOM 396 CB THR A 26 12.096 1.780 -3.092 1.00 0.00 C ATOM 397 OG1 THR A 26 13.370 1.761 -3.719 1.00 0.00 O ATOM 398 CG2 THR A 26 12.376 2.006 -1.604 1.00 0.00 C ATOM 0 H THR A 26 11.941 0.842 -5.318 1.00 0.00 H new ATOM 0 HA THR A 26 11.920 -0.316 -2.754 1.00 0.00 H new ATOM 0 HB THR A 26 11.437 2.559 -3.475 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.952 2.427 -3.297 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.869 2.969 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.436 1.999 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.022 1.212 -1.231 1.00 0.00 H new ATOM 406 N VAL A 27 8.981 0.829 -3.675 1.00 0.00 N ATOM 407 CA VAL A 27 7.562 0.715 -3.350 1.00 0.00 C ATOM 408 C VAL A 27 7.147 -0.767 -3.289 1.00 0.00 C ATOM 409 O VAL A 27 6.452 -1.171 -2.351 1.00 0.00 O ATOM 410 CB VAL A 27 6.736 1.531 -4.365 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.233 1.434 -4.091 1.00 0.00 C ATOM 412 CG2 VAL A 27 7.078 3.026 -4.313 1.00 0.00 C ATOM 0 H VAL A 27 9.162 1.271 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 27 7.366 1.132 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 27 6.985 1.105 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.690 2.024 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.918 0.393 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.020 1.817 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.473 3.563 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.870 3.412 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.134 3.166 -4.543 1.00 0.00 H new ATOM 422 N THR A 28 7.568 -1.587 -4.256 1.00 0.00 N ATOM 423 CA THR A 28 7.299 -3.022 -4.276 1.00 0.00 C ATOM 424 C THR A 28 7.859 -3.709 -3.021 1.00 0.00 C ATOM 425 O THR A 28 7.095 -4.380 -2.315 1.00 0.00 O ATOM 426 CB THR A 28 7.824 -3.632 -5.594 1.00 0.00 C ATOM 427 OG1 THR A 28 7.182 -3.018 -6.699 1.00 0.00 O ATOM 428 CG2 THR A 28 7.565 -5.137 -5.710 1.00 0.00 C ATOM 0 H THR A 28 8.112 -1.265 -5.056 1.00 0.00 H new ATOM 0 HA THR A 28 6.223 -3.192 -4.248 1.00 0.00 H new ATOM 0 HB THR A 28 8.900 -3.459 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.520 -2.104 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.959 -5.502 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.059 -5.656 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.492 -5.326 -5.665 1.00 0.00 H new ATOM 436 N GLN A 29 9.152 -3.550 -2.717 1.00 0.00 N ATOM 437 CA GLN A 29 9.760 -4.224 -1.573 1.00 0.00 C ATOM 438 C GLN A 29 9.220 -3.651 -0.258 1.00 0.00 C ATOM 439 O GLN A 29 8.947 -4.414 0.675 1.00 0.00 O ATOM 440 CB GLN A 29 11.299 -4.203 -1.634 1.00 0.00 C ATOM 441 CG GLN A 29 11.962 -2.829 -1.784 1.00 0.00 C ATOM 442 CD GLN A 29 13.405 -2.844 -1.288 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.646 -3.022 -0.097 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.378 -2.644 -2.158 1.00 0.00 N ATOM 0 H GLN A 29 9.793 -2.961 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 29 9.475 -5.275 -1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.682 -4.669 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.615 -4.827 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.940 -2.526 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.392 -2.087 -1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.159 -2.498 -3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.349 -2.636 -1.845 1.00 0.00 H new ATOM 453 N ALA A 30 8.969 -2.335 -0.190 1.00 0.00 N ATOM 454 CA ALA A 30 8.340 -1.716 0.964 1.00 0.00 C ATOM 455 C ALA A 30 7.026 -2.424 1.248 1.00 0.00 C ATOM 456 O ALA A 30 6.766 -2.697 2.409 1.00 0.00 O ATOM 457 CB ALA A 30 8.117 -0.211 0.774 1.00 0.00 C ATOM 0 H ALA A 30 9.200 -1.680 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 30 9.012 -1.820 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.644 0.202 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.076 0.281 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.472 -0.045 -0.089 1.00 0.00 H new ATOM 463 N ALA A 31 6.216 -2.761 0.239 1.00 0.00 N ATOM 464 CA ALA A 31 4.909 -3.379 0.424 1.00 0.00 C ATOM 465 C ALA A 31 4.996 -4.797 0.993 1.00 0.00 C ATOM 466 O ALA A 31 4.241 -5.131 1.906 1.00 0.00 O ATOM 467 CB ALA A 31 4.118 -3.372 -0.891 1.00 0.00 C ATOM 0 H ALA A 31 6.458 -2.608 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 31 4.380 -2.778 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.145 -3.837 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.978 -2.344 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.668 -3.929 -1.649 1.00 0.00 H new ATOM 473 N SER A 32 5.832 -5.693 0.465 1.00 0.00 N ATOM 474 CA SER A 32 5.914 -7.031 1.073 1.00 0.00 C ATOM 475 C SER A 32 6.277 -6.960 2.554 1.00 0.00 C ATOM 476 O SER A 32 5.746 -7.757 3.347 1.00 0.00 O ATOM 477 CB SER A 32 6.863 -7.934 0.274 1.00 0.00 C ATOM 478 OG SER A 32 8.111 -7.322 0.047 1.00 0.00 O ATOM 0 H SER A 32 6.436 -5.535 -0.342 1.00 0.00 H new ATOM 0 HA SER A 32 4.924 -7.485 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.011 -8.870 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.404 -8.186 -0.682 1.00 0.00 H new ATOM 0 HG SER A 32 8.684 -7.447 0.832 1.00 0.00 H new ATOM 484 N GLN A 33 7.053 -5.945 2.941 1.00 0.00 N ATOM 485 CA GLN A 33 7.426 -5.741 4.322 1.00 0.00 C ATOM 486 C GLN A 33 6.403 -4.869 5.052 1.00 0.00 C ATOM 487 O GLN A 33 6.295 -5.018 6.264 1.00 0.00 O ATOM 488 CB GLN A 33 8.861 -5.192 4.409 1.00 0.00 C ATOM 489 CG GLN A 33 9.897 -6.018 3.613 1.00 0.00 C ATOM 490 CD GLN A 33 9.649 -7.527 3.656 1.00 0.00 C ATOM 491 OE1 GLN A 33 9.142 -8.122 2.707 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.914 -8.170 4.782 1.00 0.00 N ATOM 0 H GLN A 33 7.434 -5.249 2.300 1.00 0.00 H new ATOM 0 HA GLN A 33 7.419 -6.701 4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.870 -4.166 4.042 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.164 -5.159 5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.890 -5.688 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.892 -5.812 4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.335 -7.672 5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.698 -9.163 4.865 1.00 0.00 H new ATOM 501 N VAL A 34 5.612 -4.024 4.375 1.00 0.00 N ATOM 502 CA VAL A 34 4.647 -3.116 5.003 1.00 0.00 C ATOM 503 C VAL A 34 3.659 -4.020 5.730 1.00 0.00 C ATOM 504 O VAL A 34 3.283 -3.770 6.870 1.00 0.00 O ATOM 505 CB VAL A 34 3.899 -2.192 3.996 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.671 -2.703 3.219 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.508 -0.870 4.610 1.00 0.00 C ATOM 0 H VAL A 34 5.627 -3.953 3.358 1.00 0.00 H new ATOM 0 HA VAL A 34 5.170 -2.428 5.667 1.00 0.00 H new ATOM 0 HB VAL A 34 4.687 -2.125 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.295 -1.911 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.956 -3.563 2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.892 -2.997 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.990 -0.263 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.849 -1.045 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.403 -0.346 4.946 1.00 0.00 H new ATOM 517 N CYS A 35 3.296 -5.119 5.063 1.00 0.00 N ATOM 518 CA CYS A 35 2.397 -6.123 5.556 1.00 0.00 C ATOM 519 C CYS A 35 3.038 -6.884 6.698 1.00 0.00 C ATOM 520 O CYS A 35 2.353 -7.124 7.685 1.00 0.00 O ATOM 521 CB CYS A 35 2.067 -7.095 4.430 1.00 0.00 C ATOM 522 SG CYS A 35 1.308 -6.399 2.945 1.00 0.00 S ATOM 0 H CYS A 35 3.645 -5.326 4.127 1.00 0.00 H new ATOM 0 HA CYS A 35 1.487 -5.642 5.915 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.988 -7.599 4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.398 -7.859 4.826 1.00 0.00 H new ATOM 527 N ASP A 36 4.262 -7.413 6.533 1.00 0.00 N ATOM 528 CA ASP A 36 4.898 -8.015 7.714 1.00 0.00 C ATOM 529 C ASP A 36 4.937 -7.098 8.945 1.00 0.00 C ATOM 530 O ASP A 36 4.574 -7.512 10.047 1.00 0.00 O ATOM 531 CB ASP A 36 6.278 -8.625 7.482 1.00 0.00 C ATOM 532 CG ASP A 36 6.485 -9.607 8.642 1.00 0.00 C ATOM 533 OD1 ASP A 36 5.989 -10.747 8.476 1.00 0.00 O ATOM 534 OD2 ASP A 36 6.936 -9.205 9.739 1.00 0.00 O ATOM 0 H ASP A 36 4.796 -7.438 5.665 1.00 0.00 H new ATOM 0 HA ASP A 36 4.221 -8.843 7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.326 -9.136 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.051 -7.857 7.474 1.00 0.00 H new ATOM 539 N LYS A 37 5.267 -5.821 8.739 1.00 0.00 N ATOM 540 CA LYS A 37 5.495 -4.842 9.798 1.00 0.00 C ATOM 541 C LYS A 37 4.156 -4.469 10.417 1.00 0.00 C ATOM 542 O LYS A 37 4.079 -4.399 11.643 1.00 0.00 O ATOM 543 CB LYS A 37 6.231 -3.639 9.173 1.00 0.00 C ATOM 544 CG LYS A 37 6.997 -2.747 10.162 1.00 0.00 C ATOM 545 CD LYS A 37 7.756 -1.646 9.391 1.00 0.00 C ATOM 546 CE LYS A 37 8.897 -1.038 10.222 1.00 0.00 C ATOM 547 NZ LYS A 37 9.709 -0.037 9.482 1.00 0.00 N ATOM 0 H LYS A 37 5.386 -5.431 7.804 1.00 0.00 H new ATOM 0 HA LYS A 37 6.116 -5.236 10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.933 -4.012 8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.503 -3.024 8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.303 -2.295 10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.698 -3.348 10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.162 -2.064 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.059 -0.859 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.476 -0.566 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.550 -1.840 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.841 0.809 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.637 -0.445 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.218 0.227 8.604 1.00 0.00 H new ATOM 561 N LEU A 38 3.104 -4.275 9.617 1.00 0.00 N ATOM 562 CA LEU A 38 1.757 -4.060 10.121 1.00 0.00 C ATOM 563 C LEU A 38 1.270 -5.460 10.495 1.00 0.00 C ATOM 564 O LEU A 38 0.461 -6.064 9.783 1.00 0.00 O ATOM 565 CB LEU A 38 0.830 -3.444 9.050 1.00 0.00 C ATOM 566 CG LEU A 38 1.055 -1.959 8.723 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.159 -1.585 7.537 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.707 -1.052 9.912 1.00 0.00 C ATOM 0 H LEU A 38 3.169 -4.264 8.599 1.00 0.00 H new ATOM 0 HA LEU A 38 1.749 -3.361 10.957 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.943 -4.017 8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.202 -3.569 9.379 1.00 0.00 H new ATOM 0 HG LEU A 38 2.110 -1.814 8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.304 -0.534 7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.420 -2.200 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.885 -1.755 7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.880 -0.011 9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.341 -1.188 10.178 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.335 -1.312 10.764 1.00 0.00 H new ATOM 580 N LYS A 39 1.703 -5.976 11.648 1.00 0.00 N ATOM 581 CA LYS A 39 1.348 -7.338 12.028 1.00 0.00 C ATOM 582 C LYS A 39 -0.089 -7.308 12.546 1.00 0.00 C ATOM 583 O LYS A 39 -0.626 -6.240 12.827 1.00 0.00 O ATOM 584 CB LYS A 39 2.476 -8.069 12.783 1.00 0.00 C ATOM 585 CG LYS A 39 3.158 -7.339 13.951 1.00 0.00 C ATOM 586 CD LYS A 39 4.523 -7.964 14.328 1.00 0.00 C ATOM 587 CE LYS A 39 5.717 -7.640 13.392 1.00 0.00 C ATOM 588 NZ LYS A 39 5.859 -8.539 12.216 1.00 0.00 N ATOM 0 H LYS A 39 2.288 -5.480 12.320 1.00 0.00 H new ATOM 0 HA LYS A 39 1.297 -8.040 11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.068 -9.004 13.167 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.247 -8.331 12.058 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.303 -6.292 13.685 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.501 -7.359 14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.781 -7.637 15.335 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.403 -9.047 14.365 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.612 -6.615 13.036 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.637 -7.682 13.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.864 -8.760 12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.332 -9.419 12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.480 -8.067 11.370 1.00 0.00 H new ATOM 602 N ILE A 40 -0.742 -8.474 12.564 1.00 0.00 N ATOM 603 CA ILE A 40 -2.167 -8.689 12.868 1.00 0.00 C ATOM 604 C ILE A 40 -2.874 -8.352 11.543 1.00 0.00 C ATOM 605 O ILE A 40 -3.458 -9.234 10.914 1.00 0.00 O ATOM 606 CB ILE A 40 -2.744 -7.907 14.082 1.00 0.00 C ATOM 607 CG1 ILE A 40 -1.977 -8.184 15.395 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.251 -8.190 14.246 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.934 -9.653 15.839 1.00 0.00 C ATOM 0 H ILE A 40 -0.263 -9.350 12.354 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.329 -9.713 13.206 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.609 -6.847 13.867 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.953 -7.828 15.279 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.431 -7.595 16.192 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.635 -7.633 15.101 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.780 -7.880 13.344 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.405 -9.257 14.409 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.372 -9.736 16.770 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.950 -10.016 15.995 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.449 -10.252 15.068 1.00 0.00 H new ATOM 621 N LEU A 41 -2.640 -7.159 10.982 1.00 0.00 N ATOM 622 CA LEU A 41 -3.209 -6.732 9.702 1.00 0.00 C ATOM 623 C LEU A 41 -2.372 -7.267 8.516 1.00 0.00 C ATOM 624 O LEU A 41 -2.682 -7.018 7.351 1.00 0.00 O ATOM 625 CB LEU A 41 -3.272 -5.192 9.719 1.00 0.00 C ATOM 626 CG LEU A 41 -4.256 -4.566 8.713 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.716 -4.915 9.032 1.00 0.00 C ATOM 628 CD2 LEU A 41 -4.097 -3.041 8.724 1.00 0.00 C ATOM 0 H LEU A 41 -2.041 -6.455 11.413 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.211 -7.140 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.547 -4.866 10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.274 -4.801 9.519 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.020 -4.974 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.371 -4.450 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.846 -5.997 9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.970 -4.546 10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.793 -2.597 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.308 -2.660 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.076 -2.780 8.444 1.00 0.00 H new ATOM 640 N ARG A 42 -1.408 -8.147 8.809 1.00 0.00 N ATOM 641 CA ARG A 42 -0.550 -8.907 7.898 1.00 0.00 C ATOM 642 C ARG A 42 -1.429 -9.748 6.992 1.00 0.00 C ATOM 643 O ARG A 42 -1.143 -9.807 5.804 1.00 0.00 O ATOM 644 CB ARG A 42 0.364 -9.778 8.785 1.00 0.00 C ATOM 645 CG ARG A 42 1.498 -10.583 8.125 1.00 0.00 C ATOM 646 CD ARG A 42 2.179 -11.417 9.233 1.00 0.00 C ATOM 647 NE ARG A 42 3.512 -11.940 8.872 1.00 0.00 N ATOM 648 CZ ARG A 42 4.026 -13.155 9.118 1.00 0.00 C ATOM 649 NH1 ARG A 42 3.262 -14.177 9.508 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.333 -13.328 8.970 1.00 0.00 N ATOM 0 H ARG A 42 -1.190 -8.364 9.781 1.00 0.00 H new ATOM 0 HA ARG A 42 0.060 -8.268 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.816 -9.126 9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.272 -10.483 9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.103 -11.233 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.217 -9.915 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.274 -10.801 10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.531 -12.255 9.490 1.00 0.00 H new ATOM 0 HE ARG A 42 4.121 -11.294 8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.257 -14.046 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.683 -15.089 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.921 -12.548 8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.750 -14.241 9.150 1.00 0.00 H new ATOM 664 N GLY A 43 -2.500 -10.357 7.510 1.00 0.00 N ATOM 665 CA GLY A 43 -3.429 -11.125 6.692 1.00 0.00 C ATOM 666 C GLY A 43 -4.064 -10.242 5.620 1.00 0.00 C ATOM 667 O GLY A 43 -3.991 -10.558 4.431 1.00 0.00 O ATOM 0 H GLY A 43 -2.742 -10.329 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.905 -11.956 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.207 -11.555 7.323 1.00 0.00 H new ATOM 671 N LEU A 44 -4.664 -9.121 6.037 1.00 0.00 N ATOM 672 CA LEU A 44 -5.413 -8.231 5.161 1.00 0.00 C ATOM 673 C LEU A 44 -4.450 -7.668 4.114 1.00 0.00 C ATOM 674 O LEU A 44 -4.669 -7.853 2.921 1.00 0.00 O ATOM 675 CB LEU A 44 -6.116 -7.157 6.019 1.00 0.00 C ATOM 676 CG LEU A 44 -7.326 -6.433 5.398 1.00 0.00 C ATOM 677 CD1 LEU A 44 -6.994 -5.688 4.105 1.00 0.00 C ATOM 678 CD2 LEU A 44 -8.508 -7.380 5.163 1.00 0.00 C ATOM 0 H LEU A 44 -4.639 -8.808 7.007 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.203 -8.750 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.445 -7.628 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.376 -6.404 6.289 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.613 -5.687 6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.892 -5.202 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.231 -4.935 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.621 -6.395 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.337 -6.825 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.206 -8.178 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.823 -7.812 6.113 1.00 0.00 H new ATOM 690 N CYS A 45 -3.342 -7.059 4.542 1.00 0.00 N ATOM 691 CA CYS A 45 -2.287 -6.562 3.684 1.00 0.00 C ATOM 692 C CYS A 45 -1.741 -7.623 2.725 1.00 0.00 C ATOM 693 O CYS A 45 -1.643 -7.345 1.531 1.00 0.00 O ATOM 694 CB CYS A 45 -1.206 -5.959 4.577 1.00 0.00 C ATOM 695 SG CYS A 45 0.045 -5.009 3.695 1.00 0.00 S ATOM 0 H CYS A 45 -3.157 -6.897 5.532 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.690 -5.794 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.681 -5.313 5.316 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.715 -6.763 5.125 1.00 0.00 H new ATOM 700 N LYS A 46 -1.400 -8.838 3.178 1.00 0.00 N ATOM 701 CA LYS A 46 -0.945 -9.874 2.246 1.00 0.00 C ATOM 702 C LYS A 46 -2.035 -10.160 1.207 1.00 0.00 C ATOM 703 O LYS A 46 -1.674 -10.322 0.041 1.00 0.00 O ATOM 704 CB LYS A 46 -0.388 -11.147 2.928 1.00 0.00 C ATOM 705 CG LYS A 46 0.980 -11.030 3.659 1.00 0.00 C ATOM 706 CD LYS A 46 2.041 -10.203 2.915 1.00 0.00 C ATOM 707 CE LYS A 46 3.429 -10.128 3.588 1.00 0.00 C ATOM 708 NZ LYS A 46 4.366 -11.212 3.207 1.00 0.00 N ATOM 0 H LYS A 46 -1.429 -9.121 4.158 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.076 -9.477 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.127 -11.492 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.298 -11.924 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.815 -10.584 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.373 -12.033 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.165 -10.621 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.663 -9.188 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.885 -9.169 3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.294 -10.147 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.269 -11.081 3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.957 -12.132 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.530 -11.184 2.180 1.00 0.00 H new ATOM 722 N LYS A 47 -3.333 -10.186 1.557 1.00 0.00 N ATOM 723 CA LYS A 47 -4.376 -10.319 0.531 1.00 0.00 C ATOM 724 C LYS A 47 -4.302 -9.123 -0.414 1.00 0.00 C ATOM 725 O LYS A 47 -4.333 -9.343 -1.619 1.00 0.00 O ATOM 726 CB LYS A 47 -5.803 -10.450 1.103 1.00 0.00 C ATOM 727 CG LYS A 47 -6.822 -10.821 -0.007 1.00 0.00 C ATOM 728 CD LYS A 47 -8.143 -10.035 0.076 1.00 0.00 C ATOM 729 CE LYS A 47 -9.097 -10.357 -1.094 1.00 0.00 C ATOM 730 NZ LYS A 47 -8.771 -9.649 -2.363 1.00 0.00 N ATOM 0 H LYS A 47 -3.676 -10.119 2.515 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.180 -11.250 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.817 -11.212 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.097 -9.511 1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.365 -10.644 -0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.040 -11.887 0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.640 -10.264 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.927 -8.967 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.080 -11.432 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.114 -10.100 -0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.522 -9.825 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.699 -8.627 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.865 -10.000 -2.733 1.00 0.00 H new ATOM 744 N ILE A 48 -4.221 -7.887 0.089 1.00 0.00 N ATOM 745 CA ILE A 48 -4.194 -6.675 -0.732 1.00 0.00 C ATOM 746 C ILE A 48 -3.068 -6.803 -1.754 1.00 0.00 C ATOM 747 O ILE A 48 -3.310 -6.553 -2.927 1.00 0.00 O ATOM 748 CB ILE A 48 -4.067 -5.398 0.142 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.327 -5.168 1.007 1.00 0.00 C ATOM 750 CG2 ILE A 48 -3.733 -4.128 -0.663 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.553 -4.611 0.281 1.00 0.00 C ATOM 0 H ILE A 48 -4.172 -7.699 1.090 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.138 -6.570 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.218 -5.586 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.604 -6.116 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.067 -4.484 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.660 -3.277 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.783 -4.264 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.520 -3.943 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.373 -4.492 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.308 -3.643 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.853 -5.300 -0.508 1.00 0.00 H new ATOM 763 N MET A 49 -1.876 -7.247 -1.354 1.00 0.00 N ATOM 764 CA MET A 49 -0.756 -7.363 -2.281 1.00 0.00 C ATOM 765 C MET A 49 -0.931 -8.556 -3.230 1.00 0.00 C ATOM 766 O MET A 49 -0.788 -8.392 -4.437 1.00 0.00 O ATOM 767 CB MET A 49 0.578 -7.396 -1.516 1.00 0.00 C ATOM 768 CG MET A 49 0.772 -6.152 -0.632 1.00 0.00 C ATOM 769 SD MET A 49 0.384 -4.555 -1.408 1.00 0.00 S ATOM 770 CE MET A 49 0.107 -3.552 0.077 1.00 0.00 C ATOM 0 H MET A 49 -1.664 -7.531 -0.397 1.00 0.00 H new ATOM 0 HA MET A 49 -0.738 -6.477 -2.915 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.616 -8.291 -0.895 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.401 -7.466 -2.227 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.151 -6.262 0.257 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.809 -6.128 -0.296 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.380 -2.617 -0.201 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.529 -4.099 0.772 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.063 -3.336 0.554 1.00 0.00 H new ATOM 780 N ARG A 50 -1.309 -9.747 -2.752 1.00 0.00 N ATOM 781 CA ARG A 50 -1.591 -10.898 -3.629 1.00 0.00 C ATOM 782 C ARG A 50 -2.603 -10.528 -4.709 1.00 0.00 C ATOM 783 O ARG A 50 -2.504 -11.003 -5.839 1.00 0.00 O ATOM 784 CB ARG A 50 -2.119 -12.054 -2.765 1.00 0.00 C ATOM 785 CG ARG A 50 -2.507 -13.368 -3.477 1.00 0.00 C ATOM 786 CD ARG A 50 -1.431 -14.032 -4.356 1.00 0.00 C ATOM 787 NE ARG A 50 -1.553 -13.631 -5.772 1.00 0.00 N ATOM 788 CZ ARG A 50 -1.421 -14.393 -6.868 1.00 0.00 C ATOM 789 NH1 ARG A 50 -1.044 -15.669 -6.783 1.00 0.00 N ATOM 790 NH2 ARG A 50 -1.680 -13.858 -8.058 1.00 0.00 N ATOM 0 H ARG A 50 -1.428 -9.943 -1.758 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.674 -11.203 -4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.359 -12.289 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.995 -11.695 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.814 -14.087 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.379 -13.171 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.442 -13.762 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.516 -15.116 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.765 -12.647 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.850 -16.084 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.950 -16.230 -7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.974 -12.884 -8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.585 -14.422 -8.902 1.00 0.00 H new ATOM 804 N SER A 51 -3.588 -9.734 -4.321 1.00 0.00 N ATOM 805 CA SER A 51 -4.687 -9.289 -5.149 1.00 0.00 C ATOM 806 C SER A 51 -4.290 -8.111 -6.051 1.00 0.00 C ATOM 807 O SER A 51 -4.717 -8.103 -7.202 1.00 0.00 O ATOM 808 CB SER A 51 -5.829 -8.915 -4.187 1.00 0.00 C ATOM 809 OG SER A 51 -7.124 -8.889 -4.752 1.00 0.00 O ATOM 0 H SER A 51 -3.641 -9.366 -3.371 1.00 0.00 H new ATOM 0 HA SER A 51 -4.998 -10.078 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.828 -9.624 -3.359 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.617 -7.932 -3.766 1.00 0.00 H new ATOM 0 HG SER A 51 -7.424 -7.960 -4.841 1.00 0.00 H new ATOM 815 N PHE A 52 -3.481 -7.143 -5.588 1.00 0.00 N ATOM 816 CA PHE A 52 -3.197 -5.932 -6.356 1.00 0.00 C ATOM 817 C PHE A 52 -1.814 -5.279 -6.095 1.00 0.00 C ATOM 818 O PHE A 52 -1.716 -4.063 -6.241 1.00 0.00 O ATOM 819 CB PHE A 52 -4.266 -4.892 -5.911 1.00 0.00 C ATOM 820 CG PHE A 52 -5.700 -5.333 -5.646 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.551 -5.722 -6.697 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.205 -5.279 -4.330 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.893 -6.050 -6.433 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.548 -5.596 -4.067 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.396 -5.974 -5.121 1.00 0.00 C ATOM 0 H PHE A 52 -3.014 -7.182 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.208 -6.212 -7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.899 -4.421 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.302 -4.118 -6.677 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.173 -5.769 -7.708 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.554 -4.992 -3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.540 -6.361 -7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.928 -5.549 -3.057 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.432 -6.206 -4.925 1.00 0.00 H new ATOM 835 N LEU A 53 -0.699 -5.999 -5.889 1.00 0.00 N ATOM 836 CA LEU A 53 0.589 -5.374 -5.506 1.00 0.00 C ATOM 837 C LEU A 53 1.018 -4.356 -6.563 1.00 0.00 C ATOM 838 O LEU A 53 1.196 -3.179 -6.267 1.00 0.00 O ATOM 839 CB LEU A 53 1.698 -6.420 -5.262 1.00 0.00 C ATOM 840 CG LEU A 53 2.886 -5.932 -4.399 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.835 -7.113 -4.153 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.704 -4.778 -4.982 1.00 0.00 C ATOM 0 H LEU A 53 -0.658 -7.014 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 53 0.434 -4.856 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.254 -7.291 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.082 -6.750 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 53 2.434 -5.544 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.677 -6.782 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.300 -7.907 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.202 -7.490 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.509 -4.519 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.128 -5.080 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.059 -3.912 -5.128 1.00 0.00 H new ATOM 854 N ARG A 54 1.171 -4.807 -7.808 1.00 0.00 N ATOM 855 CA ARG A 54 1.557 -3.961 -8.934 1.00 0.00 C ATOM 856 C ARG A 54 0.710 -2.678 -9.012 1.00 0.00 C ATOM 857 O ARG A 54 1.240 -1.619 -9.333 1.00 0.00 O ATOM 858 CB ARG A 54 1.471 -4.810 -10.219 1.00 0.00 C ATOM 859 CG ARG A 54 2.291 -4.290 -11.412 1.00 0.00 C ATOM 860 CD ARG A 54 3.753 -4.786 -11.418 1.00 0.00 C ATOM 861 NE ARG A 54 4.565 -4.272 -10.299 1.00 0.00 N ATOM 862 CZ ARG A 54 4.990 -3.008 -10.166 1.00 0.00 C ATOM 863 NH1 ARG A 54 4.663 -2.100 -11.079 1.00 0.00 N ATOM 864 NH2 ARG A 54 5.715 -2.656 -9.115 1.00 0.00 N ATOM 0 H ARG A 54 1.028 -5.784 -8.065 1.00 0.00 H new ATOM 0 HA ARG A 54 2.581 -3.612 -8.801 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.801 -5.823 -9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.426 -4.877 -10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.807 -4.600 -12.338 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.286 -3.200 -11.399 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.756 -5.876 -11.386 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.221 -4.494 -12.358 1.00 0.00 H new ATOM 0 HE ARG A 54 4.824 -4.933 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.089 -2.365 -11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.986 -1.137 -10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.951 -3.348 -8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.037 -1.693 -9.017 1.00 0.00 H new ATOM 878 N ARG A 55 -0.596 -2.739 -8.713 1.00 0.00 N ATOM 879 CA ARG A 55 -1.457 -1.572 -8.685 1.00 0.00 C ATOM 880 C ARG A 55 -1.137 -0.670 -7.486 1.00 0.00 C ATOM 881 O ARG A 55 -1.061 0.541 -7.655 1.00 0.00 O ATOM 882 CB ARG A 55 -2.917 -2.013 -8.736 1.00 0.00 C ATOM 883 CG ARG A 55 -3.252 -2.585 -10.129 1.00 0.00 C ATOM 884 CD ARG A 55 -4.615 -2.167 -10.680 1.00 0.00 C ATOM 885 NE ARG A 55 -4.600 -0.803 -11.243 1.00 0.00 N ATOM 886 CZ ARG A 55 -5.173 -0.344 -12.366 1.00 0.00 C ATOM 887 NH1 ARG A 55 -5.799 -1.164 -13.209 1.00 0.00 N ATOM 888 NH2 ARG A 55 -5.112 0.957 -12.637 1.00 0.00 N ATOM 0 H ARG A 55 -1.077 -3.609 -8.484 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.270 -0.960 -9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.104 -2.766 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.568 -1.167 -8.516 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.480 -2.271 -10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.214 -3.673 -10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.924 -2.872 -11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.358 -2.220 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.081 -0.112 -10.702 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.850 -2.162 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.228 -0.793 -14.057 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.635 1.590 -11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.543 1.322 -13.487 1.00 0.00 H new ATOM 902 N ILE A 56 -0.922 -1.215 -6.289 1.00 0.00 N ATOM 903 CA ILE A 56 -0.516 -0.411 -5.132 1.00 0.00 C ATOM 904 C ILE A 56 0.754 0.379 -5.468 1.00 0.00 C ATOM 905 O ILE A 56 0.855 1.524 -5.029 1.00 0.00 O ATOM 906 CB ILE A 56 -0.384 -1.325 -3.883 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.734 -1.634 -3.188 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.577 -0.783 -2.810 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.982 -1.692 -4.076 1.00 0.00 C ATOM 0 H ILE A 56 -1.022 -2.211 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.276 0.331 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 56 0.027 -2.242 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.639 -2.592 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.900 -0.878 -2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.614 -1.478 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.574 -0.675 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.224 0.188 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.855 -1.916 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.123 -0.730 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.857 -2.471 -4.828 1.00 0.00 H new ATOM 921 N SER A 57 1.637 -0.149 -6.325 1.00 0.00 N ATOM 922 CA SER A 57 2.851 0.568 -6.668 1.00 0.00 C ATOM 923 C SER A 57 2.493 1.805 -7.497 1.00 0.00 C ATOM 924 O SER A 57 2.837 2.914 -7.092 1.00 0.00 O ATOM 925 CB SER A 57 3.860 -0.352 -7.358 1.00 0.00 C ATOM 926 OG SER A 57 5.139 0.216 -7.223 1.00 0.00 O ATOM 0 H SER A 57 1.529 -1.055 -6.782 1.00 0.00 H new ATOM 0 HA SER A 57 3.345 0.914 -5.760 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.836 -1.345 -6.910 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.607 -0.471 -8.411 1.00 0.00 H new ATOM 0 HG SER A 57 5.703 -0.066 -7.973 1.00 0.00 H new ATOM 932 N TRP A 58 1.721 1.646 -8.586 1.00 0.00 N ATOM 933 CA TRP A 58 1.207 2.764 -9.386 1.00 0.00 C ATOM 934 C TRP A 58 0.563 3.811 -8.477 1.00 0.00 C ATOM 935 O TRP A 58 0.834 5.004 -8.615 1.00 0.00 O ATOM 936 CB TRP A 58 0.215 2.266 -10.465 1.00 0.00 C ATOM 937 CG TRP A 58 -1.043 3.077 -10.684 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.109 4.354 -11.126 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.424 2.719 -10.380 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.420 4.793 -11.126 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.290 3.791 -10.745 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.033 1.601 -9.786 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.692 3.696 -10.618 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.403 1.559 -9.527 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.248 2.577 -9.971 1.00 0.00 C ATOM 0 H TRP A 58 1.436 0.731 -8.935 1.00 0.00 H new ATOM 0 HA TRP A 58 2.043 3.232 -9.906 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.749 2.211 -11.413 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.081 1.249 -10.206 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.260 4.945 -11.434 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.708 5.739 -11.376 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.423 0.750 -9.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.331 4.473 -11.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.815 0.727 -8.975 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.315 2.507 -9.820 1.00 0.00 H new ATOM 956 N ASP A 59 -0.321 3.373 -7.581 1.00 0.00 N ATOM 957 CA ASP A 59 -0.953 4.236 -6.600 1.00 0.00 C ATOM 958 C ASP A 59 0.005 5.099 -5.775 1.00 0.00 C ATOM 959 O ASP A 59 -0.211 6.312 -5.719 1.00 0.00 O ATOM 960 CB ASP A 59 -2.096 3.518 -5.850 1.00 0.00 C ATOM 961 CG ASP A 59 -3.404 3.536 -6.669 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.653 4.542 -7.364 1.00 0.00 O ATOM 963 OD2 ASP A 59 -4.371 2.587 -6.602 1.00 0.00 O ATOM 0 H ASP A 59 -0.617 2.399 -7.520 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.463 5.024 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.807 2.487 -5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.261 4.001 -4.887 1.00 0.00 H new ATOM 969 N ILE A 60 1.028 4.533 -5.126 1.00 0.00 N ATOM 970 CA ILE A 60 2.040 5.350 -4.446 1.00 0.00 C ATOM 971 C ILE A 60 2.772 6.253 -5.451 1.00 0.00 C ATOM 972 O ILE A 60 2.873 7.451 -5.211 1.00 0.00 O ATOM 973 CB ILE A 60 2.980 4.499 -3.558 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.365 4.168 -2.179 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.320 5.192 -3.276 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.274 3.106 -2.191 1.00 0.00 C ATOM 0 H ILE A 60 1.177 3.526 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 60 1.534 6.016 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 60 3.133 3.589 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.163 3.838 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.953 5.083 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.937 4.549 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.835 5.384 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.140 6.136 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.909 2.948 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.451 3.437 -2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.679 2.172 -2.581 1.00 0.00 H new ATOM 988 N LEU A 61 3.295 5.699 -6.550 1.00 0.00 N ATOM 989 CA LEU A 61 4.115 6.416 -7.533 1.00 0.00 C ATOM 990 C LEU A 61 3.400 7.632 -8.127 1.00 0.00 C ATOM 991 O LEU A 61 4.034 8.657 -8.344 1.00 0.00 O ATOM 992 CB LEU A 61 4.539 5.470 -8.670 1.00 0.00 C ATOM 993 CG LEU A 61 5.541 4.377 -8.253 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.590 3.299 -9.338 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.957 4.919 -8.034 1.00 0.00 C ATOM 0 H LEU A 61 3.157 4.716 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 61 4.993 6.778 -6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.649 4.992 -9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.980 6.062 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 61 5.194 3.970 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.298 2.523 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.600 2.860 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.907 3.745 -10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.618 4.103 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.322 5.368 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.941 5.672 -7.246 1.00 0.00 H new ATOM 1007 N THR A 62 2.086 7.559 -8.359 1.00 0.00 N ATOM 1008 CA THR A 62 1.290 8.695 -8.838 1.00 0.00 C ATOM 1009 C THR A 62 0.938 9.680 -7.706 1.00 0.00 C ATOM 1010 O THR A 62 0.061 10.526 -7.869 1.00 0.00 O ATOM 1011 CB THR A 62 0.061 8.202 -9.634 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.697 7.195 -8.977 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.495 7.647 -10.996 1.00 0.00 C ATOM 0 H THR A 62 1.542 6.708 -8.220 1.00 0.00 H new ATOM 0 HA THR A 62 1.902 9.272 -9.531 1.00 0.00 H new ATOM 0 HB THR A 62 -0.576 9.080 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.192 6.355 -8.975 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.382 7.304 -11.545 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.996 8.430 -11.565 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.180 6.812 -10.847 1.00 0.00 H new ATOM 1021 N GLY A 63 1.603 9.559 -6.551 1.00 0.00 N ATOM 1022 CA GLY A 63 1.386 10.272 -5.305 1.00 0.00 C ATOM 1023 C GLY A 63 -0.091 10.440 -4.998 1.00 0.00 C ATOM 1024 O GLY A 63 -0.511 11.484 -4.490 1.00 0.00 O ATOM 0 H GLY A 63 2.375 8.897 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.867 9.732 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.859 11.252 -5.361 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.868 9.359 -5.103 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.303 9.457 -4.905 1.00 0.00 C ATOM 1030 C LYS A 64 -2.498 9.259 -3.408 1.00 0.00 C ATOM 1031 O LYS A 64 -1.678 8.645 -2.724 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.987 8.427 -5.822 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.515 8.588 -5.897 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.181 7.489 -6.741 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.617 7.395 -8.168 1.00 0.00 C ATOM 1036 NZ LYS A 64 -5.185 6.243 -8.891 1.00 0.00 N ATOM 0 H LYS A 64 -0.528 8.422 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.759 10.408 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.571 8.514 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.753 7.424 -5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.929 8.569 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.754 9.563 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.052 6.528 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.253 7.679 -6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.839 8.314 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.532 7.303 -8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.799 6.215 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.937 5.364 -8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.220 6.336 -8.934 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.456 9.966 -2.821 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.610 9.912 -1.362 1.00 0.00 C ATOM 1052 C LYS A 65 -4.180 8.551 -0.939 1.00 0.00 C ATOM 1053 O LYS A 65 -4.965 7.986 -1.693 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.329 11.179 -0.882 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.431 12.422 -1.092 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.043 12.400 -0.400 1.00 0.00 C ATOM 1057 CE LYS A 65 -0.827 12.191 -1.335 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.256 10.820 -1.345 1.00 0.00 N ATOM 0 H LYS A 65 -4.121 10.567 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.656 9.943 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.265 11.302 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.585 11.082 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.276 12.553 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.974 13.298 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.909 13.341 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.043 11.607 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.124 12.450 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.043 12.890 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.705 10.847 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.219 10.452 -0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.854 10.199 -1.927 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.000 8.107 0.315 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.374 6.771 0.779 1.00 0.00 C ATOM 1074 C PRO A 66 -5.860 6.472 0.702 1.00 0.00 C ATOM 1075 O PRO A 66 -6.268 5.497 0.076 1.00 0.00 O ATOM 1076 CB PRO A 66 -3.831 6.656 2.210 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.666 8.108 2.646 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.259 8.787 1.351 1.00 0.00 C ATOM 0 HA PRO A 66 -3.941 6.020 0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.522 6.118 2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.883 6.118 2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.591 8.520 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.906 8.217 3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.498 9.850 1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.185 8.705 1.185 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.683 7.275 1.375 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.110 7.005 1.448 1.00 0.00 C ATOM 1088 C GLN A 67 -8.744 7.020 0.048 1.00 0.00 C ATOM 1089 O GLN A 67 -9.669 6.251 -0.200 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.740 7.985 2.449 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.088 7.496 2.995 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.475 8.259 4.263 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.753 8.232 5.259 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.608 8.942 4.263 1.00 0.00 N ATOM 0 H GLN A 67 -6.384 8.113 1.874 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.302 5.999 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.052 8.140 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.879 8.952 1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.861 7.627 2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.031 6.429 3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.196 8.955 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.894 9.456 5.096 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.193 7.811 -0.883 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.640 7.858 -2.267 1.00 0.00 C ATOM 1105 C ALA A 68 -8.091 6.660 -3.038 1.00 0.00 C ATOM 1106 O ALA A 68 -8.867 6.081 -3.779 1.00 0.00 O ATOM 1107 CB ALA A 68 -8.187 9.171 -2.917 1.00 0.00 C ATOM 0 H ALA A 68 -7.415 8.441 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.729 7.814 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.525 9.200 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.614 10.013 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.099 9.235 -2.888 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.830 6.242 -2.848 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.270 5.022 -3.451 1.00 0.00 C ATOM 1115 C ILE A 69 -7.215 3.855 -3.179 1.00 0.00 C ATOM 1116 O ILE A 69 -7.516 3.037 -4.045 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.843 4.731 -2.916 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.847 5.680 -3.600 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.445 3.251 -3.123 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.465 5.713 -2.931 1.00 0.00 C ATOM 0 H ILE A 69 -6.163 6.747 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.178 5.164 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.827 4.908 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.729 5.380 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.263 6.687 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.439 3.087 -2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.147 2.608 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.467 3.014 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.817 6.404 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.569 6.043 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.027 4.715 -2.951 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.625 3.716 -1.930 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.538 2.664 -1.579 1.00 0.00 C ATOM 1134 C CYS A 70 -9.874 2.795 -2.322 1.00 0.00 C ATOM 1135 O CYS A 70 -10.352 1.767 -2.779 1.00 0.00 O ATOM 1136 CB CYS A 70 -8.616 2.615 -0.063 1.00 0.00 C ATOM 1137 SG CYS A 70 -6.985 2.321 0.662 1.00 0.00 S ATOM 0 H CYS A 70 -7.339 4.316 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.182 1.689 -1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.021 3.554 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.302 1.825 0.244 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.511 3.965 -2.476 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.767 4.004 -3.250 1.00 0.00 C ATOM 1144 C VAL A 71 -11.490 3.782 -4.757 1.00 0.00 C ATOM 1145 O VAL A 71 -12.265 3.096 -5.411 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.611 5.276 -2.997 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -14.015 5.103 -3.623 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.861 5.560 -1.510 1.00 0.00 C ATOM 0 H VAL A 71 -10.199 4.859 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.380 3.178 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.038 6.093 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.607 6.001 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.917 4.942 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.512 4.244 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.459 6.466 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.395 4.721 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.907 5.695 -1.000 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.360 4.272 -5.276 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.844 4.172 -6.650 1.00 0.00 C ATOM 1160 C ASP A 72 -9.867 2.754 -7.217 1.00 0.00 C ATOM 1161 O ASP A 72 -10.469 2.528 -8.263 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.447 4.811 -6.635 1.00 0.00 C ATOM 1163 CG ASP A 72 -7.554 4.606 -7.848 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -7.703 5.332 -8.852 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -6.529 3.897 -7.680 1.00 0.00 O ATOM 0 H ASP A 72 -9.718 4.802 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.498 4.707 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.572 5.884 -6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.916 4.432 -5.762 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.247 1.785 -6.544 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.327 0.367 -6.941 1.00 0.00 C ATOM 1172 C ILE A 73 -10.488 -0.382 -6.260 1.00 0.00 C ATOM 1173 O ILE A 73 -10.674 -1.579 -6.477 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.967 -0.328 -6.787 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.319 0.037 -5.440 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -7.055 0.021 -7.970 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.061 -0.759 -5.169 1.00 0.00 C ATOM 0 H ILE A 73 -8.678 1.952 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.571 0.338 -8.003 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.120 -1.407 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.081 1.101 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.035 -0.136 -4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.094 -0.478 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.521 -0.310 -8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.902 1.100 -8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.643 -0.463 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.300 -1.822 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.332 -0.566 -5.956 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.272 0.331 -5.453 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.503 -0.072 -4.782 1.00 0.00 C ATOM 1191 C LYS A 74 -12.225 -1.063 -3.661 1.00 0.00 C ATOM 1192 O LYS A 74 -12.422 -2.272 -3.789 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.581 -0.525 -5.778 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.934 -0.593 -5.049 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.945 -1.578 -5.656 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.440 -3.024 -5.826 1.00 0.00 C ATOM 1197 NZ LYS A 74 -14.753 -3.552 -4.626 1.00 0.00 N ATOM 0 H LYS A 74 -11.037 1.299 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.928 0.805 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.638 0.171 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.326 -1.501 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.757 -0.870 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.377 0.403 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.834 -1.594 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.252 -1.202 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.285 -3.670 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.757 -3.065 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.605 -4.576 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.834 -3.079 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.337 -3.373 -3.785 1.00 0.00 H new ATOM 1211 N ILE A 75 -11.775 -0.488 -2.558 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.411 -1.069 -1.279 1.00 0.00 C ATOM 1213 C ILE A 75 -11.893 -0.118 -0.159 1.00 0.00 C ATOM 1214 O ILE A 75 -12.092 -0.545 0.976 1.00 0.00 O ATOM 1215 CB ILE A 75 -9.879 -1.307 -1.256 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.390 -2.085 -2.504 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.479 -2.056 0.021 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -7.895 -2.397 -2.511 1.00 0.00 C ATOM 0 H ILE A 75 -11.640 0.523 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.888 -2.036 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.398 -0.329 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.944 -3.021 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.631 -1.506 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.401 -2.217 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.761 -1.466 0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.990 -3.018 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.641 -2.943 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.329 -1.466 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.646 -3.005 -1.641 1.00 0.00 H new