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 33 GLN : amide:sc= 1.02 K(o=2.2,f=-6.5!) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.976 K(o=2.2,f=-0.44) USER MOD Set 2.2: A 26 THR OG1 : rot 116:sc= 1.27 USER MOD Single : A 2 TYR OH : rot -10:sc= 1.28 USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -57:sc= 0.721 USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= 0.788 (180deg=0.384) USER MOD Single : A 12 GLN : amide:sc= 0.133 K(o=0.13,f=-3.1!) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0.249 (180deg=0.127) USER MOD Single : A 17 MET CE :methyl 171:sc= -0.0546 (180deg=-0.194) USER MOD Single : A 21 GLN : amide:sc= -0.098 X(o=-0.098,f=-0.02) USER MOD Single : A 28 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 29 GLN : amide:sc= 1.23 K(o=1.2,f=-0.011) USER MOD Single : A 32 SER OG : rot -77:sc= 1.17 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0.369) USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= 0.389 (180deg=0.319) USER MOD Single : A 49 MET CE :methyl 156:sc= -2.04 (180deg=-2.37) USER MOD Single : A 51 SER OG : rot -104:sc= 0.301 USER MOD Single : A 57 SER OG : rot -170:sc= 1.22 USER MOD Single : A 62 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 64 LYS NZ :NH3+ -115:sc= 1.24 (180deg=-0.0345) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 1.23 (180deg=1.12) USER MOD Single : A 67 GLN : amide:sc= 0.987 K(o=0.99,f=-6.4!) USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0209) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -14.824 -2.730 6.755 1.00 0.00 N ATOM 11 CA TYR A 2 -13.593 -2.501 7.543 1.00 0.00 C ATOM 12 C TYR A 2 -12.359 -2.356 6.635 1.00 0.00 C ATOM 13 O TYR A 2 -11.383 -1.697 6.997 1.00 0.00 O ATOM 14 CB TYR A 2 -13.383 -3.591 8.615 1.00 0.00 C ATOM 15 CG TYR A 2 -12.115 -3.377 9.433 1.00 0.00 C ATOM 16 CD1 TYR A 2 -11.943 -2.177 10.151 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.059 -4.311 9.388 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.698 -1.867 10.724 1.00 0.00 C ATOM 19 CE2 TYR A 2 -9.816 -4.012 9.982 1.00 0.00 C ATOM 20 CZ TYR A 2 -9.611 -2.759 10.600 1.00 0.00 C ATOM 21 OH TYR A 2 -8.371 -2.363 11.001 1.00 0.00 O ATOM 0 HA TYR A 2 -13.723 -1.556 8.070 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.243 -3.607 9.284 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.338 -4.567 8.131 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.771 -1.493 10.261 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.204 -5.261 8.895 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.572 -0.940 11.263 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.020 -4.742 9.964 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.379 -1.401 11.186 1.00 0.00 H new ATOM 31 N PHE A 3 -12.425 -2.926 5.426 1.00 0.00 N ATOM 32 CA PHE A 3 -11.426 -2.779 4.383 1.00 0.00 C ATOM 33 C PHE A 3 -11.018 -1.317 4.191 1.00 0.00 C ATOM 34 O PHE A 3 -9.840 -1.084 3.962 1.00 0.00 O ATOM 35 CB PHE A 3 -11.922 -3.375 3.064 1.00 0.00 C ATOM 36 CG PHE A 3 -11.775 -4.871 2.940 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.530 -5.391 2.539 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.869 -5.732 3.141 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.376 -6.770 2.327 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.715 -7.113 2.930 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.473 -7.625 2.514 1.00 0.00 C ATOM 0 H PHE A 3 -13.205 -3.521 5.146 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.542 -3.330 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.974 -3.118 2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.380 -2.903 2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.691 -4.727 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.822 -5.334 3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.420 -7.170 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.550 -7.780 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.363 -8.685 2.337 1.00 0.00 H new ATOM 51 N CYS A 4 -11.943 -0.352 4.277 1.00 0.00 N ATOM 52 CA CYS A 4 -11.623 1.062 4.134 1.00 0.00 C ATOM 53 C CYS A 4 -10.537 1.484 5.126 1.00 0.00 C ATOM 54 O CYS A 4 -9.482 1.961 4.716 1.00 0.00 O ATOM 55 CB CYS A 4 -12.875 1.932 4.324 1.00 0.00 C ATOM 56 SG CYS A 4 -12.609 3.619 3.738 1.00 0.00 S ATOM 0 H CYS A 4 -12.932 -0.536 4.448 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.245 1.211 3.122 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.712 1.487 3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.148 1.952 5.379 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.692 4.316 3.916 1.00 0.00 H new ATOM 61 N GLU A 5 -10.791 1.294 6.425 1.00 0.00 N ATOM 62 CA GLU A 5 -9.867 1.642 7.501 1.00 0.00 C ATOM 63 C GLU A 5 -8.568 0.868 7.296 1.00 0.00 C ATOM 64 O GLU A 5 -7.493 1.463 7.256 1.00 0.00 O ATOM 65 CB GLU A 5 -10.532 1.329 8.853 1.00 0.00 C ATOM 66 CG GLU A 5 -9.861 1.984 10.072 1.00 0.00 C ATOM 67 CD GLU A 5 -8.458 1.461 10.401 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.304 0.287 10.824 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.485 2.240 10.309 1.00 0.00 O ATOM 0 H GLU A 5 -11.663 0.886 6.761 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.628 2.705 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.573 1.651 8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.538 0.249 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.800 3.059 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.500 1.836 10.942 1.00 0.00 H new ATOM 76 N SER A 6 -8.686 -0.445 7.075 1.00 0.00 N ATOM 77 CA SER A 6 -7.559 -1.332 6.837 1.00 0.00 C ATOM 78 C SER A 6 -6.643 -0.757 5.756 1.00 0.00 C ATOM 79 O SER A 6 -5.454 -0.563 5.984 1.00 0.00 O ATOM 80 CB SER A 6 -8.049 -2.712 6.393 1.00 0.00 C ATOM 81 OG SER A 6 -9.022 -3.271 7.242 1.00 0.00 O ATOM 0 H SER A 6 -9.587 -0.923 7.058 1.00 0.00 H new ATOM 0 HA SER A 6 -7.003 -1.426 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.460 -2.634 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.197 -3.389 6.338 1.00 0.00 H new ATOM 0 HG SER A 6 -8.667 -3.327 8.154 1.00 0.00 H new ATOM 87 N CYS A 7 -7.207 -0.497 4.579 1.00 0.00 N ATOM 88 CA CYS A 7 -6.545 0.010 3.398 1.00 0.00 C ATOM 89 C CYS A 7 -5.893 1.353 3.697 1.00 0.00 C ATOM 90 O CYS A 7 -4.721 1.540 3.384 1.00 0.00 O ATOM 91 CB CYS A 7 -7.586 0.142 2.292 1.00 0.00 C ATOM 92 SG CYS A 7 -6.950 0.800 0.734 1.00 0.00 S ATOM 0 H CYS A 7 -8.204 -0.648 4.424 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.757 -0.673 3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.024 -0.838 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.390 0.789 2.643 1.00 0.00 H new ATOM 97 N ARG A 8 -6.633 2.275 4.324 1.00 0.00 N ATOM 98 CA ARG A 8 -6.121 3.590 4.680 1.00 0.00 C ATOM 99 C ARG A 8 -4.879 3.424 5.551 1.00 0.00 C ATOM 100 O ARG A 8 -3.854 4.016 5.237 1.00 0.00 O ATOM 101 CB ARG A 8 -7.230 4.413 5.361 1.00 0.00 C ATOM 102 CG ARG A 8 -6.948 5.920 5.311 1.00 0.00 C ATOM 103 CD ARG A 8 -7.998 6.693 6.129 1.00 0.00 C ATOM 104 NE ARG A 8 -8.012 8.136 5.824 1.00 0.00 N ATOM 105 CZ ARG A 8 -7.054 9.040 6.061 1.00 0.00 C ATOM 106 NH1 ARG A 8 -5.926 8.687 6.673 1.00 0.00 N ATOM 107 NH2 ARG A 8 -7.252 10.288 5.655 1.00 0.00 N ATOM 0 H ARG A 8 -7.604 2.123 4.596 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.822 4.144 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.183 4.207 4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.328 4.098 6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.952 6.123 5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.959 6.264 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.985 6.275 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.799 6.553 7.192 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.858 8.489 5.376 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.786 7.720 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.202 9.383 6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.117 10.537 5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.539 10.998 5.822 1.00 0.00 H new ATOM 121 N LYS A 9 -4.946 2.605 6.605 1.00 0.00 N ATOM 122 CA LYS A 9 -3.825 2.328 7.501 1.00 0.00 C ATOM 123 C LYS A 9 -2.647 1.733 6.725 1.00 0.00 C ATOM 124 O LYS A 9 -1.512 2.168 6.903 1.00 0.00 O ATOM 125 CB LYS A 9 -4.303 1.374 8.612 1.00 0.00 C ATOM 126 CG LYS A 9 -3.400 1.414 9.855 1.00 0.00 C ATOM 127 CD LYS A 9 -3.571 0.190 10.773 1.00 0.00 C ATOM 128 CE LYS A 9 -5.022 -0.210 11.088 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.800 0.842 11.769 1.00 0.00 N ATOM 0 H LYS A 9 -5.799 2.108 6.862 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.476 3.256 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.321 1.637 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.335 0.356 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.359 1.478 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.616 2.319 10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.071 -0.661 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.056 0.389 11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.525 -0.475 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.014 -1.104 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.656 0.425 12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.222 1.270 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.071 1.573 11.081 1.00 0.00 H new ATOM 143 N ILE A 10 -2.919 0.723 5.898 1.00 0.00 N ATOM 144 CA ILE A 10 -1.942 -0.017 5.109 1.00 0.00 C ATOM 145 C ILE A 10 -1.178 0.949 4.204 1.00 0.00 C ATOM 146 O ILE A 10 0.051 0.974 4.256 1.00 0.00 O ATOM 147 CB ILE A 10 -2.652 -1.180 4.370 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.949 -2.311 5.379 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.824 -1.764 3.219 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.010 -3.301 4.883 1.00 0.00 C ATOM 0 H ILE A 10 -3.871 0.386 5.756 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.188 -0.484 5.742 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.565 -0.769 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.027 -2.852 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.283 -1.872 6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.380 -2.573 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.621 -0.984 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.882 -2.150 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.172 -4.070 5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.945 -2.771 4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.669 -3.767 3.958 1.00 0.00 H new ATOM 162 N ILE A 11 -1.886 1.741 3.394 1.00 0.00 N ATOM 163 CA ILE A 11 -1.249 2.707 2.517 1.00 0.00 C ATOM 164 C ILE A 11 -0.524 3.763 3.349 1.00 0.00 C ATOM 165 O ILE A 11 0.612 4.057 3.014 1.00 0.00 O ATOM 166 CB ILE A 11 -2.252 3.323 1.519 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.840 2.316 0.500 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.607 4.488 0.750 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.829 1.517 -0.329 1.00 0.00 C ATOM 0 H ILE A 11 -2.904 1.726 3.333 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.505 2.192 1.909 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.081 3.674 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.471 1.611 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.488 2.862 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.331 4.908 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.292 5.259 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.740 4.124 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.361 0.847 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.212 2.203 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.194 0.932 0.336 1.00 0.00 H new ATOM 181 N GLN A 12 -1.116 4.319 4.411 1.00 0.00 N ATOM 182 CA GLN A 12 -0.461 5.378 5.182 1.00 0.00 C ATOM 183 C GLN A 12 0.893 4.903 5.712 1.00 0.00 C ATOM 184 O GLN A 12 1.866 5.637 5.594 1.00 0.00 O ATOM 185 CB GLN A 12 -1.352 5.876 6.331 1.00 0.00 C ATOM 186 CG GLN A 12 -2.559 6.696 5.847 1.00 0.00 C ATOM 187 CD GLN A 12 -2.378 8.213 5.954 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.153 8.868 6.651 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.439 8.822 5.250 1.00 0.00 N ATOM 0 H GLN A 12 -2.040 4.055 4.753 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.293 6.219 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.708 5.020 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.754 6.486 7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.764 6.439 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.436 6.405 6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.799 8.276 4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.355 9.838 5.283 1.00 0.00 H new ATOM 198 N LYS A 13 0.996 3.682 6.257 1.00 0.00 N ATOM 199 CA LYS A 13 2.291 3.179 6.717 1.00 0.00 C ATOM 200 C LYS A 13 3.261 2.959 5.548 1.00 0.00 C ATOM 201 O LYS A 13 4.464 3.041 5.770 1.00 0.00 O ATOM 202 CB LYS A 13 2.087 1.909 7.560 1.00 0.00 C ATOM 203 CG LYS A 13 3.324 1.434 8.349 1.00 0.00 C ATOM 204 CD LYS A 13 3.847 2.431 9.404 1.00 0.00 C ATOM 205 CE LYS A 13 5.128 3.118 8.917 1.00 0.00 C ATOM 206 NZ LYS A 13 5.671 4.123 9.857 1.00 0.00 N ATOM 0 H LYS A 13 0.215 3.039 6.387 1.00 0.00 H new ATOM 0 HA LYS A 13 2.756 3.933 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.274 2.087 8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.766 1.103 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.080 0.496 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.127 1.221 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.084 3.181 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.043 1.907 10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.888 2.358 8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.927 3.602 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.516 4.566 9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.952 4.852 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.928 3.659 10.751 1.00 0.00 H new ATOM 220 N LEU A 14 2.781 2.651 4.339 1.00 0.00 N ATOM 221 CA LEU A 14 3.641 2.490 3.163 1.00 0.00 C ATOM 222 C LEU A 14 4.157 3.839 2.682 1.00 0.00 C ATOM 223 O LEU A 14 5.326 3.960 2.354 1.00 0.00 O ATOM 224 CB LEU A 14 2.880 1.793 2.022 1.00 0.00 C ATOM 225 CG LEU A 14 3.723 1.590 0.747 1.00 0.00 C ATOM 226 CD1 LEU A 14 5.059 0.883 1.002 1.00 0.00 C ATOM 227 CD2 LEU A 14 2.890 0.765 -0.241 1.00 0.00 C ATOM 0 H LEU A 14 1.789 2.507 4.149 1.00 0.00 H new ATOM 0 HA LEU A 14 4.489 1.870 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.528 0.823 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.997 2.382 1.773 1.00 0.00 H new ATOM 0 HG LEU A 14 3.971 2.575 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.598 0.774 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.656 1.474 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.873 -0.102 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.462 0.605 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.644 -0.198 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.971 1.301 -0.478 1.00 0.00 H new ATOM 239 N GLU A 15 3.268 4.819 2.609 1.00 0.00 N ATOM 240 CA GLU A 15 3.504 6.191 2.195 1.00 0.00 C ATOM 241 C GLU A 15 4.571 6.797 3.112 1.00 0.00 C ATOM 242 O GLU A 15 5.576 7.312 2.635 1.00 0.00 O ATOM 243 CB GLU A 15 2.107 6.850 2.253 1.00 0.00 C ATOM 244 CG GLU A 15 1.932 8.302 1.800 1.00 0.00 C ATOM 245 CD GLU A 15 0.452 8.743 1.876 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.296 8.283 2.774 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.040 9.563 1.016 1.00 0.00 O ATOM 0 H GLU A 15 2.291 4.662 2.856 1.00 0.00 H new ATOM 0 HA GLU A 15 3.907 6.325 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.434 6.238 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.760 6.787 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.540 8.955 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.294 8.412 0.778 1.00 0.00 H new ATOM 254 N ASP A 16 4.383 6.640 4.422 1.00 0.00 N ATOM 255 CA ASP A 16 5.318 7.008 5.484 1.00 0.00 C ATOM 256 C ASP A 16 6.667 6.317 5.279 1.00 0.00 C ATOM 257 O ASP A 16 7.697 6.986 5.283 1.00 0.00 O ATOM 258 CB ASP A 16 4.623 6.616 6.805 1.00 0.00 C ATOM 259 CG ASP A 16 5.449 6.456 8.082 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.539 5.844 8.059 1.00 0.00 O ATOM 261 OD2 ASP A 16 4.836 6.564 9.172 1.00 0.00 O ATOM 0 H ASP A 16 3.525 6.229 4.791 1.00 0.00 H new ATOM 0 HA ASP A 16 5.549 8.073 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.858 7.367 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.106 5.672 6.632 1.00 0.00 H new ATOM 266 N MET A 17 6.668 4.996 5.063 1.00 0.00 N ATOM 267 CA MET A 17 7.905 4.237 4.952 1.00 0.00 C ATOM 268 C MET A 17 8.690 4.570 3.696 1.00 0.00 C ATOM 269 O MET A 17 9.910 4.681 3.794 1.00 0.00 O ATOM 270 CB MET A 17 7.669 2.719 5.004 1.00 0.00 C ATOM 271 CG MET A 17 7.513 2.212 6.440 1.00 0.00 C ATOM 272 SD MET A 17 7.068 0.454 6.671 1.00 0.00 S ATOM 273 CE MET A 17 7.961 -0.339 5.303 1.00 0.00 C ATOM 0 H MET A 17 5.821 4.436 4.962 1.00 0.00 H new ATOM 0 HA MET A 17 8.493 4.536 5.820 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.774 2.471 4.433 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.504 2.206 4.527 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.451 2.393 6.964 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.752 2.819 6.930 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.911 -1.422 5.415 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.505 -0.051 4.356 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.003 -0.021 5.316 1.00 0.00 H new ATOM 283 N VAL A 18 8.064 4.526 2.511 1.00 0.00 N ATOM 284 CA VAL A 18 8.817 4.775 1.289 1.00 0.00 C ATOM 285 C VAL A 18 9.377 6.208 1.330 1.00 0.00 C ATOM 286 O VAL A 18 10.471 6.454 0.825 1.00 0.00 O ATOM 287 CB VAL A 18 8.009 4.433 0.024 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.035 5.518 -0.439 1.00 0.00 C ATOM 289 CG2 VAL A 18 8.926 3.916 -1.085 1.00 0.00 C ATOM 0 H VAL A 18 7.072 4.327 2.380 1.00 0.00 H new ATOM 0 HA VAL A 18 9.670 4.098 1.234 1.00 0.00 H new ATOM 0 HB VAL A 18 7.340 3.620 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.515 5.181 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.309 5.715 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.587 6.432 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.332 3.681 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.661 4.681 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.439 3.017 -0.743 1.00 0.00 H new ATOM 299 N GLY A 19 8.631 7.144 1.939 1.00 0.00 N ATOM 300 CA GLY A 19 9.071 8.515 2.090 1.00 0.00 C ATOM 301 C GLY A 19 8.872 9.294 0.781 1.00 0.00 C ATOM 302 O GLY A 19 7.786 9.226 0.196 1.00 0.00 O ATOM 0 H GLY A 19 7.710 6.959 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.513 8.995 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.123 8.536 2.376 1.00 0.00 H new ATOM 306 N PRO A 20 9.834 10.145 0.372 1.00 0.00 N ATOM 307 CA PRO A 20 9.720 10.984 -0.813 1.00 0.00 C ATOM 308 C PRO A 20 9.719 10.146 -2.102 1.00 0.00 C ATOM 309 O PRO A 20 9.820 8.925 -2.063 1.00 0.00 O ATOM 310 CB PRO A 20 10.915 11.943 -0.732 1.00 0.00 C ATOM 311 CG PRO A 20 11.986 11.085 -0.067 1.00 0.00 C ATOM 312 CD PRO A 20 11.177 10.249 0.922 1.00 0.00 C ATOM 0 HA PRO A 20 8.777 11.530 -0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.226 12.287 -1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.683 12.831 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.512 10.461 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.738 11.693 0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.621 9.262 1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.159 10.720 1.905 1.00 0.00 H new ATOM 320 N GLN A 21 9.600 10.853 -3.234 1.00 0.00 N ATOM 321 CA GLN A 21 9.473 10.391 -4.622 1.00 0.00 C ATOM 322 C GLN A 21 10.140 9.023 -4.856 1.00 0.00 C ATOM 323 O GLN A 21 11.342 8.971 -5.113 1.00 0.00 O ATOM 324 CB GLN A 21 10.005 11.469 -5.586 1.00 0.00 C ATOM 325 CG GLN A 21 9.246 12.807 -5.532 1.00 0.00 C ATOM 326 CD GLN A 21 7.803 12.699 -6.027 1.00 0.00 C ATOM 327 OE1 GLN A 21 7.506 12.952 -7.183 1.00 0.00 O ATOM 328 NE2 GLN A 21 6.858 12.330 -5.174 1.00 0.00 N ATOM 0 H GLN A 21 9.589 11.872 -3.195 1.00 0.00 H new ATOM 0 HA GLN A 21 8.414 10.237 -4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.056 11.653 -5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.960 11.082 -6.604 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.245 13.176 -4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.777 13.543 -6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.099 12.117 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.889 12.259 -5.485 1.00 0.00 H new ATOM 337 N PRO A 22 9.375 7.924 -4.738 1.00 0.00 N ATOM 338 CA PRO A 22 9.905 6.575 -4.805 1.00 0.00 C ATOM 339 C PRO A 22 9.995 6.070 -6.252 1.00 0.00 C ATOM 340 O PRO A 22 9.603 6.748 -7.203 1.00 0.00 O ATOM 341 CB PRO A 22 8.919 5.770 -3.969 1.00 0.00 C ATOM 342 CG PRO A 22 7.584 6.412 -4.314 1.00 0.00 C ATOM 343 CD PRO A 22 7.961 7.888 -4.382 1.00 0.00 C ATOM 0 HA PRO A 22 10.927 6.498 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.938 4.712 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.139 5.841 -2.904 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.186 6.047 -5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.827 6.217 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.358 8.411 -5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.787 8.380 -3.425 1.00 0.00 H new ATOM 351 N ASN A 23 10.395 4.809 -6.411 1.00 0.00 N ATOM 352 CA ASN A 23 10.484 4.089 -7.677 1.00 0.00 C ATOM 353 C ASN A 23 9.958 2.673 -7.445 1.00 0.00 C ATOM 354 O ASN A 23 9.970 2.175 -6.321 1.00 0.00 O ATOM 355 CB ASN A 23 11.931 4.053 -8.201 1.00 0.00 C ATOM 356 CG ASN A 23 12.847 3.250 -7.284 1.00 0.00 C ATOM 357 OD1 ASN A 23 13.042 3.617 -6.136 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.408 2.137 -7.731 1.00 0.00 N ATOM 0 H ASN A 23 10.680 4.234 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 23 9.888 4.598 -8.434 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.945 3.617 -9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.310 5.071 -8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.005 1.584 -7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.243 1.833 -8.691 1.00 0.00 H new ATOM 365 N GLU A 24 9.497 2.043 -8.527 1.00 0.00 N ATOM 366 CA GLU A 24 8.818 0.745 -8.592 1.00 0.00 C ATOM 367 C GLU A 24 9.404 -0.342 -7.680 1.00 0.00 C ATOM 368 O GLU A 24 8.635 -1.046 -7.020 1.00 0.00 O ATOM 369 CB GLU A 24 8.849 0.328 -10.074 1.00 0.00 C ATOM 370 CG GLU A 24 8.188 -1.012 -10.439 1.00 0.00 C ATOM 371 CD GLU A 24 6.687 -0.889 -10.703 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.307 -0.417 -11.798 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.874 -1.342 -9.872 1.00 0.00 O ATOM 0 H GLU A 24 9.596 2.458 -9.453 1.00 0.00 H new ATOM 0 HA GLU A 24 7.802 0.855 -8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.366 1.113 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.891 0.289 -10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.674 -1.421 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.351 -1.723 -9.629 1.00 0.00 H new ATOM 380 N ASP A 25 10.735 -0.454 -7.586 1.00 0.00 N ATOM 381 CA ASP A 25 11.353 -1.452 -6.712 1.00 0.00 C ATOM 382 C ASP A 25 11.139 -1.060 -5.259 1.00 0.00 C ATOM 383 O ASP A 25 10.524 -1.814 -4.512 1.00 0.00 O ATOM 384 CB ASP A 25 12.846 -1.656 -6.969 1.00 0.00 C ATOM 385 CG ASP A 25 13.361 -2.649 -5.920 1.00 0.00 C ATOM 386 OD1 ASP A 25 13.038 -3.847 -6.061 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.989 -2.186 -4.943 1.00 0.00 O ATOM 0 H ASP A 25 11.396 0.129 -8.099 1.00 0.00 H new ATOM 0 HA ASP A 25 10.866 -2.401 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.013 -2.040 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.381 -0.709 -6.896 1.00 0.00 H new ATOM 392 N THR A 26 11.580 0.135 -4.868 1.00 0.00 N ATOM 393 CA THR A 26 11.514 0.619 -3.499 1.00 0.00 C ATOM 394 C THR A 26 10.081 0.539 -2.969 1.00 0.00 C ATOM 395 O THR A 26 9.883 0.131 -1.826 1.00 0.00 O ATOM 396 CB THR A 26 12.105 2.035 -3.435 1.00 0.00 C ATOM 397 OG1 THR A 26 13.353 2.030 -4.095 1.00 0.00 O ATOM 398 CG2 THR A 26 12.370 2.500 -2.002 1.00 0.00 C ATOM 0 H THR A 26 12.001 0.804 -5.512 1.00 0.00 H new ATOM 0 HA THR A 26 12.112 -0.015 -2.845 1.00 0.00 H new ATOM 0 HB THR A 26 11.380 2.705 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.309 2.611 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.787 3.507 -2.017 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.435 2.503 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.077 1.822 -1.524 1.00 0.00 H new ATOM 406 N VAL A 27 9.071 0.848 -3.790 1.00 0.00 N ATOM 407 CA VAL A 27 7.681 0.667 -3.383 1.00 0.00 C ATOM 408 C VAL A 27 7.413 -0.824 -3.143 1.00 0.00 C ATOM 409 O VAL A 27 6.882 -1.179 -2.093 1.00 0.00 O ATOM 410 CB VAL A 27 6.685 1.271 -4.396 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.264 1.208 -3.810 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.975 2.743 -4.717 1.00 0.00 C ATOM 0 H VAL A 27 9.192 1.221 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 27 7.523 1.213 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 27 6.784 0.688 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.557 1.634 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.998 0.170 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.228 1.776 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.241 3.110 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.916 3.333 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.975 2.833 -5.142 1.00 0.00 H new ATOM 422 N THR A 28 7.769 -1.701 -4.081 1.00 0.00 N ATOM 423 CA THR A 28 7.567 -3.142 -3.989 1.00 0.00 C ATOM 424 C THR A 28 8.231 -3.729 -2.733 1.00 0.00 C ATOM 425 O THR A 28 7.567 -4.465 -1.988 1.00 0.00 O ATOM 426 CB THR A 28 8.047 -3.793 -5.301 1.00 0.00 C ATOM 427 OG1 THR A 28 7.248 -3.302 -6.360 1.00 0.00 O ATOM 428 CG2 THR A 28 7.928 -5.320 -5.291 1.00 0.00 C ATOM 0 H THR A 28 8.219 -1.417 -4.951 1.00 0.00 H new ATOM 0 HA THR A 28 6.506 -3.363 -3.872 1.00 0.00 H new ATOM 0 HB THR A 28 9.101 -3.542 -5.422 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.714 -2.565 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.281 -5.719 -6.242 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.532 -5.727 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.886 -5.603 -5.144 1.00 0.00 H new ATOM 436 N GLN A 29 9.500 -3.419 -2.451 1.00 0.00 N ATOM 437 CA GLN A 29 10.178 -3.938 -1.268 1.00 0.00 C ATOM 438 C GLN A 29 9.578 -3.319 0.000 1.00 0.00 C ATOM 439 O GLN A 29 9.220 -4.055 0.925 1.00 0.00 O ATOM 440 CB GLN A 29 11.710 -3.800 -1.346 1.00 0.00 C ATOM 441 CG GLN A 29 12.276 -2.418 -1.687 1.00 0.00 C ATOM 442 CD GLN A 29 13.745 -2.310 -1.292 1.00 0.00 C ATOM 443 OE1 GLN A 29 14.063 -2.312 -0.106 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.654 -2.217 -2.246 1.00 0.00 N ATOM 0 H GLN A 29 10.077 -2.809 -3.030 1.00 0.00 H new ATOM 0 HA GLN A 29 10.002 -5.013 -1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.125 -4.107 -0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.075 -4.507 -2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.170 -2.232 -2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.701 -1.649 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.368 -2.217 -3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.642 -2.145 -2.004 1.00 0.00 H new ATOM 453 N ALA A 30 9.375 -1.995 0.033 1.00 0.00 N ATOM 454 CA ALA A 30 8.802 -1.316 1.188 1.00 0.00 C ATOM 455 C ALA A 30 7.425 -1.884 1.517 1.00 0.00 C ATOM 456 O ALA A 30 7.121 -2.052 2.690 1.00 0.00 O ATOM 457 CB ALA A 30 8.717 0.200 0.970 1.00 0.00 C ATOM 0 H ALA A 30 9.605 -1.372 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 30 9.466 -1.492 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.285 0.671 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.717 0.600 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.089 0.408 0.104 1.00 0.00 H new ATOM 463 N ALA A 31 6.604 -2.208 0.517 1.00 0.00 N ATOM 464 CA ALA A 31 5.239 -2.704 0.635 1.00 0.00 C ATOM 465 C ALA A 31 5.194 -4.196 0.996 1.00 0.00 C ATOM 466 O ALA A 31 4.457 -4.594 1.899 1.00 0.00 O ATOM 467 CB ALA A 31 4.540 -2.463 -0.707 1.00 0.00 C ATOM 0 H ALA A 31 6.896 -2.124 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 31 4.734 -2.174 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.513 -2.824 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.538 -1.396 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.071 -2.997 -1.495 1.00 0.00 H new ATOM 473 N SER A 32 5.945 -5.062 0.311 1.00 0.00 N ATOM 474 CA SER A 32 6.026 -6.477 0.702 1.00 0.00 C ATOM 475 C SER A 32 6.434 -6.622 2.178 1.00 0.00 C ATOM 476 O SER A 32 6.018 -7.583 2.848 1.00 0.00 O ATOM 477 CB SER A 32 6.908 -7.259 -0.277 1.00 0.00 C ATOM 478 OG SER A 32 8.167 -6.654 -0.435 1.00 0.00 O ATOM 0 H SER A 32 6.501 -4.815 -0.508 1.00 0.00 H new ATOM 0 HA SER A 32 5.036 -6.928 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.037 -8.280 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.410 -7.323 -1.245 1.00 0.00 H new ATOM 0 HG SER A 32 8.084 -5.875 -1.023 1.00 0.00 H new ATOM 484 N GLN A 33 7.134 -5.606 2.698 1.00 0.00 N ATOM 485 CA GLN A 33 7.508 -5.445 4.084 1.00 0.00 C ATOM 486 C GLN A 33 6.429 -4.716 4.867 1.00 0.00 C ATOM 487 O GLN A 33 6.167 -5.158 5.978 1.00 0.00 O ATOM 488 CB GLN A 33 8.813 -4.640 4.209 1.00 0.00 C ATOM 489 CG GLN A 33 10.059 -5.499 4.001 1.00 0.00 C ATOM 490 CD GLN A 33 10.273 -6.270 5.302 1.00 0.00 C ATOM 491 OE1 GLN A 33 10.574 -5.672 6.337 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.979 -7.560 5.321 1.00 0.00 N ATOM 0 H GLN A 33 7.468 -4.836 2.118 1.00 0.00 H new ATOM 0 HA GLN A 33 7.644 -6.447 4.492 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.808 -3.832 3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.856 -4.177 5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.924 -6.182 3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.925 -4.878 3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.732 -8.040 4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.999 -8.075 6.201 1.00 0.00 H new ATOM 501 N VAL A 34 5.770 -3.679 4.339 1.00 0.00 N ATOM 502 CA VAL A 34 4.820 -2.849 5.081 1.00 0.00 C ATOM 503 C VAL A 34 3.761 -3.776 5.658 1.00 0.00 C ATOM 504 O VAL A 34 3.401 -3.685 6.827 1.00 0.00 O ATOM 505 CB VAL A 34 4.145 -1.768 4.189 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.933 -2.138 3.306 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.733 -0.563 4.995 1.00 0.00 C ATOM 0 H VAL A 34 5.885 -3.390 3.368 1.00 0.00 H new ATOM 0 HA VAL A 34 5.357 -2.312 5.863 1.00 0.00 H new ATOM 0 HB VAL A 34 4.961 -1.592 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.600 -1.257 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.221 -2.917 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.121 -2.502 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.265 0.171 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.024 -0.866 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.612 -0.122 5.465 1.00 0.00 H new ATOM 517 N CYS A 35 3.332 -4.739 4.842 1.00 0.00 N ATOM 518 CA CYS A 35 2.327 -5.685 5.220 1.00 0.00 C ATOM 519 C CYS A 35 2.864 -6.606 6.282 1.00 0.00 C ATOM 520 O CYS A 35 2.161 -6.880 7.246 1.00 0.00 O ATOM 521 CB CYS A 35 1.971 -6.561 4.017 1.00 0.00 C ATOM 522 SG CYS A 35 1.138 -5.763 2.653 1.00 0.00 S ATOM 0 H CYS A 35 3.687 -4.871 3.895 1.00 0.00 H new ATOM 0 HA CYS A 35 1.458 -5.135 5.582 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.891 -7.007 3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.341 -7.379 4.367 1.00 0.00 H new ATOM 527 N ASP A 36 3.987 -7.260 5.979 1.00 0.00 N ATOM 528 CA ASP A 36 4.541 -8.272 6.859 1.00 0.00 C ATOM 529 C ASP A 36 4.692 -7.696 8.292 1.00 0.00 C ATOM 530 O ASP A 36 4.324 -8.289 9.302 1.00 0.00 O ATOM 531 CB ASP A 36 5.828 -8.815 6.259 1.00 0.00 C ATOM 532 CG ASP A 36 6.042 -10.189 6.867 1.00 0.00 C ATOM 533 OD1 ASP A 36 6.290 -10.341 8.076 1.00 0.00 O ATOM 534 OD2 ASP A 36 5.698 -11.112 6.091 1.00 0.00 O ATOM 0 H ASP A 36 4.526 -7.101 5.128 1.00 0.00 H new ATOM 0 HA ASP A 36 3.868 -9.124 6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.753 -8.879 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.668 -8.157 6.482 1.00 0.00 H new ATOM 539 N LYS A 37 5.171 -6.449 8.326 1.00 0.00 N ATOM 540 CA LYS A 37 5.558 -5.606 9.452 1.00 0.00 C ATOM 541 C LYS A 37 4.326 -5.099 10.203 1.00 0.00 C ATOM 542 O LYS A 37 4.357 -5.000 11.432 1.00 0.00 O ATOM 543 CB LYS A 37 6.444 -4.491 8.867 1.00 0.00 C ATOM 544 CG LYS A 37 7.282 -3.648 9.839 1.00 0.00 C ATOM 545 CD LYS A 37 8.742 -3.530 9.350 1.00 0.00 C ATOM 546 CE LYS A 37 8.926 -2.897 7.959 1.00 0.00 C ATOM 547 NZ LYS A 37 10.304 -3.096 7.436 1.00 0.00 N ATOM 0 H LYS A 37 5.313 -5.947 7.450 1.00 0.00 H new ATOM 0 HA LYS A 37 6.124 -6.152 10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.125 -4.948 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.800 -3.813 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.845 -2.654 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.262 -4.101 10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.303 -2.941 10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.184 -4.526 9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.208 -3.333 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.709 -1.830 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.497 -2.397 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.989 -2.976 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.391 -4.055 7.042 1.00 0.00 H new ATOM 561 N LEU A 38 3.242 -4.762 9.499 1.00 0.00 N ATOM 562 CA LEU A 38 1.984 -4.360 10.116 1.00 0.00 C ATOM 563 C LEU A 38 1.383 -5.646 10.689 1.00 0.00 C ATOM 564 O LEU A 38 0.669 -6.389 10.010 1.00 0.00 O ATOM 565 CB LEU A 38 1.013 -3.760 9.073 1.00 0.00 C ATOM 566 CG LEU A 38 1.253 -2.288 8.683 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.510 -1.985 7.375 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.741 -1.319 9.758 1.00 0.00 C ATOM 0 H LEU A 38 3.217 -4.762 8.479 1.00 0.00 H new ATOM 0 HA LEU A 38 2.149 -3.596 10.876 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.065 -4.366 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.002 -3.850 9.459 1.00 0.00 H new ATOM 0 HG LEU A 38 2.328 -2.149 8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.676 -0.945 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.882 -2.638 6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.557 -2.157 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.930 -0.293 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.330 -1.464 9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.259 -1.511 10.698 1.00 0.00 H new ATOM 580 N LYS A 39 1.595 -5.881 11.987 1.00 0.00 N ATOM 581 CA LYS A 39 1.176 -7.142 12.597 1.00 0.00 C ATOM 582 C LYS A 39 -0.331 -7.051 12.822 1.00 0.00 C ATOM 583 O LYS A 39 -0.894 -5.957 12.841 1.00 0.00 O ATOM 584 CB LYS A 39 1.981 -7.428 13.883 1.00 0.00 C ATOM 585 CG LYS A 39 1.885 -6.354 14.987 1.00 0.00 C ATOM 586 CD LYS A 39 2.785 -6.709 16.185 1.00 0.00 C ATOM 587 CE LYS A 39 2.734 -5.612 17.263 1.00 0.00 C ATOM 588 NZ LYS A 39 3.623 -5.900 18.418 1.00 0.00 N ATOM 0 H LYS A 39 2.047 -5.226 12.625 1.00 0.00 H new ATOM 0 HA LYS A 39 1.383 -7.992 11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.644 -8.379 14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.030 -7.552 13.613 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.178 -5.385 14.583 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.851 -6.261 15.320 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.466 -7.659 16.614 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.812 -6.841 15.845 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.020 -4.659 16.819 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.709 -5.504 17.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.550 -5.130 19.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.336 -6.796 18.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.606 -5.976 18.089 1.00 0.00 H new ATOM 602 N ILE A 40 -0.986 -8.208 12.961 1.00 0.00 N ATOM 603 CA ILE A 40 -2.442 -8.389 13.041 1.00 0.00 C ATOM 604 C ILE A 40 -2.965 -8.220 11.609 1.00 0.00 C ATOM 605 O ILE A 40 -3.435 -9.181 10.999 1.00 0.00 O ATOM 606 CB ILE A 40 -3.165 -7.479 14.079 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.597 -7.630 15.509 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.691 -7.697 14.065 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.653 -9.049 16.093 1.00 0.00 C ATOM 0 H ILE A 40 -0.487 -9.095 13.025 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.668 -9.381 13.432 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.967 -6.453 13.768 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.559 -7.297 15.507 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.145 -6.961 16.172 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.159 -7.044 14.802 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.083 -7.465 13.075 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.912 -8.736 14.308 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.231 -9.046 17.098 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.689 -9.384 16.136 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.079 -9.726 15.460 1.00 0.00 H new ATOM 621 N LEU A 41 -2.760 -7.050 11.000 1.00 0.00 N ATOM 622 CA LEU A 41 -3.315 -6.710 9.696 1.00 0.00 C ATOM 623 C LEU A 41 -2.458 -7.249 8.532 1.00 0.00 C ATOM 624 O LEU A 41 -2.803 -7.046 7.364 1.00 0.00 O ATOM 625 CB LEU A 41 -3.452 -5.175 9.663 1.00 0.00 C ATOM 626 CG LEU A 41 -4.449 -4.621 8.630 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.890 -5.075 8.901 1.00 0.00 C ATOM 628 CD2 LEU A 41 -4.403 -3.090 8.676 1.00 0.00 C ATOM 0 H LEU A 41 -2.196 -6.305 11.408 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.287 -7.184 9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.754 -4.833 10.653 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.471 -4.744 9.463 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.158 -5.004 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.552 -4.656 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.941 -6.163 8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.201 -4.729 9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.105 -2.683 7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.676 -2.748 9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.395 -2.749 8.438 1.00 0.00 H new ATOM 640 N ARG A 42 -1.448 -8.082 8.826 1.00 0.00 N ATOM 641 CA ARG A 42 -0.596 -8.756 7.843 1.00 0.00 C ATOM 642 C ARG A 42 -1.464 -9.608 6.928 1.00 0.00 C ATOM 643 O ARG A 42 -1.304 -9.563 5.708 1.00 0.00 O ATOM 644 CB ARG A 42 0.487 -9.596 8.574 1.00 0.00 C ATOM 645 CG ARG A 42 1.361 -10.438 7.618 1.00 0.00 C ATOM 646 CD ARG A 42 2.686 -10.955 8.217 1.00 0.00 C ATOM 647 NE ARG A 42 2.599 -12.155 9.066 1.00 0.00 N ATOM 648 CZ ARG A 42 3.679 -12.762 9.599 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.917 -12.304 9.414 1.00 0.00 N ATOM 650 NH2 ARG A 42 3.510 -13.860 10.336 1.00 0.00 N ATOM 0 H ARG A 42 -1.196 -8.310 9.788 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.076 -8.024 7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.129 -8.927 9.147 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.000 -10.260 9.288 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.777 -11.293 7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.590 -9.837 6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.372 -11.166 7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.131 -10.152 8.805 1.00 0.00 H new ATOM 0 HE ARG A 42 1.677 -12.546 9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.072 -11.467 8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.709 -12.791 9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.573 -14.231 10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.318 -14.329 10.745 1.00 0.00 H new ATOM 664 N GLY A 43 -2.412 -10.354 7.500 1.00 0.00 N ATOM 665 CA GLY A 43 -3.303 -11.226 6.748 1.00 0.00 C ATOM 666 C GLY A 43 -4.168 -10.476 5.731 1.00 0.00 C ATOM 667 O GLY A 43 -4.597 -11.082 4.742 1.00 0.00 O ATOM 0 H GLY A 43 -2.580 -10.367 8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.710 -11.977 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.952 -11.758 7.444 1.00 0.00 H new ATOM 671 N LEU A 44 -4.498 -9.204 5.990 1.00 0.00 N ATOM 672 CA LEU A 44 -5.238 -8.365 5.057 1.00 0.00 C ATOM 673 C LEU A 44 -4.282 -7.793 4.009 1.00 0.00 C ATOM 674 O LEU A 44 -4.423 -8.115 2.834 1.00 0.00 O ATOM 675 CB LEU A 44 -6.067 -7.325 5.831 1.00 0.00 C ATOM 676 CG LEU A 44 -7.235 -6.751 4.997 1.00 0.00 C ATOM 677 CD1 LEU A 44 -8.422 -6.417 5.904 1.00 0.00 C ATOM 678 CD2 LEU A 44 -6.816 -5.497 4.231 1.00 0.00 C ATOM 0 H LEU A 44 -4.254 -8.731 6.860 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.968 -8.947 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.464 -7.784 6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.416 -6.509 6.146 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.526 -7.514 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.237 -6.014 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.758 -7.321 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.117 -5.678 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.663 -5.122 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.489 -4.733 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.997 -5.741 3.554 1.00 0.00 H new ATOM 690 N CYS A 45 -3.278 -7.009 4.414 1.00 0.00 N ATOM 691 CA CYS A 45 -2.304 -6.378 3.542 1.00 0.00 C ATOM 692 C CYS A 45 -1.642 -7.347 2.550 1.00 0.00 C ATOM 693 O CYS A 45 -1.677 -7.091 1.347 1.00 0.00 O ATOM 694 CB CYS A 45 -1.293 -5.671 4.445 1.00 0.00 C ATOM 695 SG CYS A 45 -0.162 -4.554 3.599 1.00 0.00 S ATOM 0 H CYS A 45 -3.123 -6.793 5.399 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.805 -5.660 2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.838 -5.107 5.202 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.708 -6.426 4.970 1.00 0.00 H new ATOM 700 N LYS A 46 -1.065 -8.472 3.002 1.00 0.00 N ATOM 701 CA LYS A 46 -0.430 -9.421 2.071 1.00 0.00 C ATOM 702 C LYS A 46 -1.466 -9.895 1.035 1.00 0.00 C ATOM 703 O LYS A 46 -1.134 -10.056 -0.137 1.00 0.00 O ATOM 704 CB LYS A 46 0.249 -10.616 2.786 1.00 0.00 C ATOM 705 CG LYS A 46 1.317 -10.294 3.859 1.00 0.00 C ATOM 706 CD LYS A 46 2.727 -9.845 3.416 1.00 0.00 C ATOM 707 CE LYS A 46 3.693 -10.994 3.061 1.00 0.00 C ATOM 708 NZ LYS A 46 5.110 -10.693 3.405 1.00 0.00 N ATOM 0 H LYS A 46 -1.024 -8.744 3.984 1.00 0.00 H new ATOM 0 HA LYS A 46 0.376 -8.894 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.531 -11.214 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.715 -11.243 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.911 -9.511 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.437 -11.183 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.629 -9.192 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.171 -9.250 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.382 -11.897 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.621 -11.204 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.741 -11.229 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.287 -9.675 3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.293 -10.964 4.392 1.00 0.00 H new ATOM 722 N LYS A 47 -2.723 -10.121 1.445 1.00 0.00 N ATOM 723 CA LYS A 47 -3.798 -10.544 0.547 1.00 0.00 C ATOM 724 C LYS A 47 -4.156 -9.446 -0.465 1.00 0.00 C ATOM 725 O LYS A 47 -4.370 -9.784 -1.627 1.00 0.00 O ATOM 726 CB LYS A 47 -5.008 -11.009 1.374 1.00 0.00 C ATOM 727 CG LYS A 47 -6.049 -11.760 0.532 1.00 0.00 C ATOM 728 CD LYS A 47 -7.280 -12.214 1.336 1.00 0.00 C ATOM 729 CE LYS A 47 -6.986 -13.296 2.392 1.00 0.00 C ATOM 730 NZ LYS A 47 -6.662 -12.751 3.734 1.00 0.00 N ATOM 0 H LYS A 47 -3.020 -10.014 2.415 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.454 -11.391 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.664 -11.656 2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.479 -10.143 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.376 -11.117 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.578 -12.633 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.714 -11.347 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.031 -12.594 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.852 -13.953 2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.153 -13.909 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.824 -13.483 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.665 -12.457 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.270 -11.931 3.932 1.00 0.00 H new ATOM 744 N ILE A 48 -4.187 -8.167 -0.062 1.00 0.00 N ATOM 745 CA ILE A 48 -4.394 -7.030 -0.969 1.00 0.00 C ATOM 746 C ILE A 48 -3.342 -7.146 -2.074 1.00 0.00 C ATOM 747 O ILE A 48 -3.689 -7.179 -3.249 1.00 0.00 O ATOM 748 CB ILE A 48 -4.304 -5.674 -0.209 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.466 -5.458 0.789 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.125 -4.441 -1.117 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.717 -4.734 0.272 1.00 0.00 C ATOM 0 H ILE A 48 -4.068 -7.891 0.913 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.394 -7.054 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.382 -5.765 0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.773 -6.434 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.079 -4.896 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.072 -3.542 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.204 -4.543 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.972 -4.365 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.448 -4.652 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.444 -3.737 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.148 -5.298 -0.555 1.00 0.00 H new ATOM 763 N MET A 49 -2.064 -7.256 -1.708 1.00 0.00 N ATOM 764 CA MET A 49 -0.966 -7.337 -2.667 1.00 0.00 C ATOM 765 C MET A 49 -1.064 -8.587 -3.540 1.00 0.00 C ATOM 766 O MET A 49 -0.831 -8.468 -4.735 1.00 0.00 O ATOM 767 CB MET A 49 0.368 -7.193 -1.934 1.00 0.00 C ATOM 768 CG MET A 49 0.450 -5.732 -1.477 1.00 0.00 C ATOM 769 SD MET A 49 1.915 -5.257 -0.553 1.00 0.00 S ATOM 770 CE MET A 49 1.250 -3.692 0.087 1.00 0.00 C ATOM 0 H MET A 49 -1.762 -7.291 -0.734 1.00 0.00 H new ATOM 0 HA MET A 49 -1.036 -6.506 -3.369 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.419 -7.871 -1.082 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.202 -7.443 -2.590 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.383 -5.095 -2.359 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.424 -5.518 -0.862 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.778 -3.419 1.000 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.384 -2.908 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.188 -3.809 0.303 1.00 0.00 H new ATOM 780 N ARG A 50 -1.497 -9.752 -3.036 1.00 0.00 N ATOM 781 CA ARG A 50 -1.708 -10.926 -3.900 1.00 0.00 C ATOM 782 C ARG A 50 -2.592 -10.544 -5.089 1.00 0.00 C ATOM 783 O ARG A 50 -2.315 -10.960 -6.214 1.00 0.00 O ATOM 784 CB ARG A 50 -2.300 -12.099 -3.086 1.00 0.00 C ATOM 785 CG ARG A 50 -2.117 -13.514 -3.688 1.00 0.00 C ATOM 786 CD ARG A 50 -3.257 -14.068 -4.569 1.00 0.00 C ATOM 787 NE ARG A 50 -3.270 -13.474 -5.911 1.00 0.00 N ATOM 788 CZ ARG A 50 -4.096 -13.708 -6.935 1.00 0.00 C ATOM 789 NH1 ARG A 50 -4.980 -14.704 -6.892 1.00 0.00 N ATOM 790 NH2 ARG A 50 -4.021 -12.915 -8.000 1.00 0.00 N ATOM 0 H ARG A 50 -1.706 -9.907 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.749 -11.264 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.849 -12.089 -2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.367 -11.919 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.204 -13.511 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.959 -14.211 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.152 -15.150 -4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.213 -13.878 -4.082 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.542 -12.781 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.034 -15.303 -6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.603 -14.868 -7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.345 -12.151 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.639 -13.070 -8.796 1.00 0.00 H new ATOM 804 N SER A 51 -3.658 -9.789 -4.841 1.00 0.00 N ATOM 805 CA SER A 51 -4.633 -9.444 -5.859 1.00 0.00 C ATOM 806 C SER A 51 -4.284 -8.159 -6.625 1.00 0.00 C ATOM 807 O SER A 51 -4.664 -8.050 -7.788 1.00 0.00 O ATOM 808 CB SER A 51 -5.992 -9.307 -5.157 1.00 0.00 C ATOM 809 OG SER A 51 -7.063 -9.439 -6.064 1.00 0.00 O ATOM 0 H SER A 51 -3.867 -9.399 -3.922 1.00 0.00 H new ATOM 0 HA SER A 51 -4.649 -10.231 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.078 -10.066 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.051 -8.337 -4.663 1.00 0.00 H new ATOM 0 HG SER A 51 -7.441 -8.555 -6.255 1.00 0.00 H new ATOM 815 N PHE A 52 -3.539 -7.213 -6.038 1.00 0.00 N ATOM 816 CA PHE A 52 -3.290 -5.905 -6.643 1.00 0.00 C ATOM 817 C PHE A 52 -1.876 -5.350 -6.375 1.00 0.00 C ATOM 818 O PHE A 52 -1.741 -4.133 -6.258 1.00 0.00 O ATOM 819 CB PHE A 52 -4.340 -4.924 -6.054 1.00 0.00 C ATOM 820 CG PHE A 52 -5.760 -5.427 -5.840 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.596 -5.730 -6.931 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.258 -5.557 -4.529 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.916 -6.159 -6.707 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.578 -5.978 -4.303 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.409 -6.278 -5.394 1.00 0.00 C ATOM 0 H PHE A 52 -3.093 -7.337 -5.129 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.369 -6.014 -7.725 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.964 -4.573 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.391 -4.057 -6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.224 -5.633 -7.940 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.618 -5.331 -3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.554 -6.398 -7.545 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.953 -6.071 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.426 -6.600 -5.226 1.00 0.00 H new ATOM 835 N LEU A 53 -0.798 -6.150 -6.385 1.00 0.00 N ATOM 836 CA LEU A 53 0.534 -5.668 -5.984 1.00 0.00 C ATOM 837 C LEU A 53 0.983 -4.483 -6.839 1.00 0.00 C ATOM 838 O LEU A 53 1.153 -3.394 -6.294 1.00 0.00 O ATOM 839 CB LEU A 53 1.581 -6.800 -6.049 1.00 0.00 C ATOM 840 CG LEU A 53 2.835 -6.557 -5.181 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.727 -7.799 -5.252 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.655 -5.316 -5.526 1.00 0.00 C ATOM 0 H LEU A 53 -0.822 -7.130 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 53 0.454 -5.330 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.111 -7.732 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.891 -6.933 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 53 2.463 -6.369 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.618 -7.643 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.178 -8.663 -4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.021 -7.977 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.510 -5.246 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.008 -5.387 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.034 -4.427 -5.416 1.00 0.00 H new ATOM 854 N ARG A 54 1.130 -4.637 -8.162 1.00 0.00 N ATOM 855 CA ARG A 54 1.622 -3.517 -8.969 1.00 0.00 C ATOM 856 C ARG A 54 0.645 -2.337 -8.944 1.00 0.00 C ATOM 857 O ARG A 54 1.056 -1.214 -9.216 1.00 0.00 O ATOM 858 CB ARG A 54 2.019 -3.955 -10.392 1.00 0.00 C ATOM 859 CG ARG A 54 2.989 -2.933 -11.021 1.00 0.00 C ATOM 860 CD ARG A 54 3.633 -3.424 -12.323 1.00 0.00 C ATOM 861 NE ARG A 54 4.633 -2.458 -12.809 1.00 0.00 N ATOM 862 CZ ARG A 54 5.197 -2.392 -14.021 1.00 0.00 C ATOM 863 NH1 ARG A 54 4.879 -3.267 -14.976 1.00 0.00 N ATOM 864 NH2 ARG A 54 6.083 -1.439 -14.270 1.00 0.00 N ATOM 0 H ARG A 54 0.924 -5.492 -8.679 1.00 0.00 H new ATOM 0 HA ARG A 54 2.543 -3.159 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.489 -4.938 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.127 -4.049 -11.012 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.450 -2.006 -11.218 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.774 -2.699 -10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.106 -4.392 -12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.864 -3.571 -13.081 1.00 0.00 H new ATOM 0 HE ARG A 54 4.933 -1.751 -12.138 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.196 -4.001 -14.788 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.319 -3.202 -15.894 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.328 -0.767 -13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.521 -1.377 -15.189 1.00 0.00 H new ATOM 878 N ARG A 55 -0.641 -2.532 -8.608 1.00 0.00 N ATOM 879 CA ARG A 55 -1.530 -1.406 -8.444 1.00 0.00 C ATOM 880 C ARG A 55 -1.097 -0.625 -7.196 1.00 0.00 C ATOM 881 O ARG A 55 -1.010 0.592 -7.273 1.00 0.00 O ATOM 882 CB ARG A 55 -2.999 -1.827 -8.458 1.00 0.00 C ATOM 883 CG ARG A 55 -3.474 -2.010 -9.914 1.00 0.00 C ATOM 884 CD ARG A 55 -4.927 -1.638 -10.226 1.00 0.00 C ATOM 885 NE ARG A 55 -5.172 -0.192 -10.444 1.00 0.00 N ATOM 886 CZ ARG A 55 -6.348 0.408 -10.725 1.00 0.00 C ATOM 887 NH1 ARG A 55 -7.442 -0.295 -11.007 1.00 0.00 N ATOM 888 NH2 ARG A 55 -6.436 1.730 -10.693 1.00 0.00 N ATOM 0 H ARG A 55 -1.067 -3.445 -8.451 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.452 -0.731 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.126 -2.757 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.608 -1.073 -7.959 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.827 -1.415 -10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.325 -3.054 -10.190 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.242 -2.183 -11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.557 -1.978 -9.404 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.359 0.419 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.405 -1.314 -11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.317 0.185 -11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.617 2.290 -10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.323 2.187 -10.905 1.00 0.00 H new ATOM 902 N ILE A 56 -0.745 -1.266 -6.080 1.00 0.00 N ATOM 903 CA ILE A 56 -0.218 -0.527 -4.927 1.00 0.00 C ATOM 904 C ILE A 56 1.073 0.218 -5.311 1.00 0.00 C ATOM 905 O ILE A 56 1.325 1.292 -4.768 1.00 0.00 O ATOM 906 CB ILE A 56 -0.069 -1.426 -3.680 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.346 -2.244 -3.368 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.293 -0.567 -2.455 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.678 -1.490 -3.511 1.00 0.00 C ATOM 0 H ILE A 56 -0.812 -2.275 -5.948 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.945 0.232 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 56 0.728 -2.136 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.369 -3.111 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.272 -2.622 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.396 -1.208 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.234 -0.049 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.495 0.165 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.503 -2.160 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.689 -0.639 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.788 -1.136 -4.536 1.00 0.00 H new ATOM 921 N SER A 57 1.824 -0.268 -6.304 1.00 0.00 N ATOM 922 CA SER A 57 2.986 0.442 -6.810 1.00 0.00 C ATOM 923 C SER A 57 2.503 1.709 -7.530 1.00 0.00 C ATOM 924 O SER A 57 2.808 2.806 -7.068 1.00 0.00 O ATOM 925 CB SER A 57 3.823 -0.486 -7.694 1.00 0.00 C ATOM 926 OG SER A 57 5.137 -0.013 -7.814 1.00 0.00 O ATOM 0 H SER A 57 1.640 -1.156 -6.771 1.00 0.00 H new ATOM 0 HA SER A 57 3.645 0.755 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.831 -1.490 -7.269 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.368 -0.562 -8.682 1.00 0.00 H new ATOM 0 HG SER A 57 5.610 -0.531 -8.498 1.00 0.00 H new ATOM 932 N TRP A 58 1.661 1.587 -8.570 1.00 0.00 N ATOM 933 CA TRP A 58 1.027 2.713 -9.272 1.00 0.00 C ATOM 934 C TRP A 58 0.482 3.752 -8.285 1.00 0.00 C ATOM 935 O TRP A 58 0.696 4.949 -8.473 1.00 0.00 O ATOM 936 CB TRP A 58 -0.068 2.228 -10.252 1.00 0.00 C ATOM 937 CG TRP A 58 -1.315 3.075 -10.318 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.407 4.324 -10.824 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.611 2.829 -9.699 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.653 4.857 -10.553 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.425 3.991 -9.806 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.157 1.748 -8.993 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.695 4.061 -9.202 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.382 1.825 -8.331 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.154 2.984 -8.420 1.00 0.00 C ATOM 0 H TRP A 58 1.397 0.680 -8.954 1.00 0.00 H new ATOM 0 HA TRP A 58 1.798 3.203 -9.867 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.364 2.173 -11.251 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.355 1.214 -9.973 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.621 4.832 -11.362 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.963 5.777 -10.866 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.607 0.819 -8.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.313 4.936 -9.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.734 0.986 -7.749 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.095 3.054 -7.894 1.00 0.00 H new ATOM 956 N ASP A 59 -0.261 3.301 -7.274 1.00 0.00 N ATOM 957 CA ASP A 59 -0.901 4.133 -6.267 1.00 0.00 C ATOM 958 C ASP A 59 0.088 5.118 -5.651 1.00 0.00 C ATOM 959 O ASP A 59 -0.123 6.330 -5.709 1.00 0.00 O ATOM 960 CB ASP A 59 -1.526 3.248 -5.171 1.00 0.00 C ATOM 961 CG ASP A 59 -2.877 2.682 -5.559 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.763 3.460 -5.953 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.221 1.385 -5.374 1.00 0.00 O ATOM 0 H ASP A 59 -0.438 2.306 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.687 4.710 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.846 2.426 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.633 3.833 -4.258 1.00 0.00 H new ATOM 969 N ILE A 60 1.136 4.585 -5.025 1.00 0.00 N ATOM 970 CA ILE A 60 2.227 5.352 -4.444 1.00 0.00 C ATOM 971 C ILE A 60 2.970 6.167 -5.513 1.00 0.00 C ATOM 972 O ILE A 60 3.229 7.344 -5.285 1.00 0.00 O ATOM 973 CB ILE A 60 3.108 4.403 -3.601 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.543 4.132 -2.187 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.533 4.919 -3.402 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.111 3.606 -2.093 1.00 0.00 C ATOM 0 H ILE A 60 1.249 3.578 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 60 1.849 6.112 -3.760 1.00 0.00 H new ATOM 0 HB ILE A 60 3.112 3.486 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.199 3.415 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.600 5.060 -1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.098 4.206 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.015 5.039 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.504 5.881 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.845 3.461 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.429 4.326 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.037 2.656 -2.621 1.00 0.00 H new ATOM 988 N LEU A 61 3.320 5.571 -6.659 1.00 0.00 N ATOM 989 CA LEU A 61 4.112 6.221 -7.709 1.00 0.00 C ATOM 990 C LEU A 61 3.406 7.463 -8.260 1.00 0.00 C ATOM 991 O LEU A 61 4.051 8.475 -8.497 1.00 0.00 O ATOM 992 CB LEU A 61 4.415 5.240 -8.859 1.00 0.00 C ATOM 993 CG LEU A 61 5.405 4.110 -8.507 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.355 3.021 -9.586 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.851 4.597 -8.380 1.00 0.00 C ATOM 0 H LEU A 61 3.058 4.612 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 61 5.051 6.534 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.478 4.792 -9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.815 5.804 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 61 5.096 3.721 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.056 2.225 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.346 2.612 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.627 3.451 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.498 3.756 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.172 5.034 -9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.914 5.348 -7.593 1.00 0.00 H new ATOM 1007 N THR A 62 2.084 7.417 -8.441 1.00 0.00 N ATOM 1008 CA THR A 62 1.288 8.574 -8.864 1.00 0.00 C ATOM 1009 C THR A 62 0.969 9.519 -7.692 1.00 0.00 C ATOM 1010 O THR A 62 0.130 10.410 -7.827 1.00 0.00 O ATOM 1011 CB THR A 62 0.032 8.118 -9.639 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.770 7.171 -8.948 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.423 7.503 -10.989 1.00 0.00 C ATOM 0 H THR A 62 1.532 6.572 -8.298 1.00 0.00 H new ATOM 0 HA THR A 62 1.889 9.166 -9.554 1.00 0.00 H new ATOM 0 HB THR A 62 -0.559 9.025 -9.766 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.297 6.314 -8.900 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.476 7.188 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.956 8.244 -11.586 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.067 6.640 -10.823 1.00 0.00 H new ATOM 1021 N GLY A 63 1.608 9.310 -6.535 1.00 0.00 N ATOM 1022 CA GLY A 63 1.407 9.976 -5.261 1.00 0.00 C ATOM 1023 C GLY A 63 -0.058 10.259 -4.973 1.00 0.00 C ATOM 1024 O GLY A 63 -0.389 11.330 -4.452 1.00 0.00 O ATOM 0 H GLY A 63 2.343 8.606 -6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.817 9.357 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.962 10.914 -5.254 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.934 9.263 -5.143 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.354 9.496 -4.932 1.00 0.00 C ATOM 1030 C LYS A 64 -2.560 9.226 -3.451 1.00 0.00 C ATOM 1031 O LYS A 64 -1.895 8.387 -2.850 1.00 0.00 O ATOM 1032 CB LYS A 64 -3.138 8.570 -5.881 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.669 8.666 -5.741 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.437 8.684 -7.075 1.00 0.00 C ATOM 1035 CE LYS A 64 -5.052 7.563 -8.055 1.00 0.00 C ATOM 1036 NZ LYS A 64 -5.952 7.537 -9.233 1.00 0.00 N ATOM 0 H LYS A 64 -0.687 8.313 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.709 10.501 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.864 8.807 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.832 7.540 -5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.020 7.822 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.913 9.571 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.504 8.613 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.271 9.645 -7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.023 7.705 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.093 6.601 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.495 6.650 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.607 8.343 -9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.386 7.600 -10.103 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.431 10.003 -2.813 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.577 9.886 -1.363 1.00 0.00 C ATOM 1052 C LYS A 65 -4.287 8.576 -0.997 1.00 0.00 C ATOM 1053 O LYS A 65 -5.126 8.114 -1.769 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.223 11.170 -0.813 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.330 12.422 -0.989 1.00 0.00 C ATOM 1056 CD LYS A 65 -1.898 12.312 -0.416 1.00 0.00 C ATOM 1057 CE LYS A 65 -0.870 11.821 -1.454 1.00 0.00 C ATOM 1058 NZ LYS A 65 0.432 11.473 -0.846 1.00 0.00 N ATOM 0 H LYS A 65 -4.029 10.699 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.607 9.811 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.175 11.336 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.443 11.034 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.259 12.648 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.827 13.269 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.588 13.286 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.904 11.628 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.270 10.949 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.720 12.596 -2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.938 10.808 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.001 12.335 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.275 11.030 0.082 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.133 8.069 0.237 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.645 6.773 0.681 1.00 0.00 C ATOM 1074 C PRO A 66 -6.150 6.648 0.535 1.00 0.00 C ATOM 1075 O PRO A 66 -6.649 5.661 0.001 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.208 6.624 2.148 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.783 8.031 2.549 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.240 8.583 1.246 1.00 0.00 C ATOM 0 HA PRO A 66 -4.242 5.976 0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.024 6.260 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.387 5.914 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.621 8.619 2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.026 8.020 3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.231 9.673 1.250 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.215 8.256 1.073 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.884 7.642 1.028 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.334 7.624 0.991 1.00 0.00 C ATOM 1088 C GLN A 67 -8.854 7.570 -0.452 1.00 0.00 C ATOM 1089 O GLN A 67 -9.895 6.967 -0.685 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.838 8.830 1.791 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.288 8.673 2.267 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.606 9.670 3.382 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.862 9.775 4.359 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.698 10.408 3.269 1.00 0.00 N ATOM 0 H GLN A 67 -6.488 8.476 1.461 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.727 6.720 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.192 8.980 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.759 9.726 1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.969 8.828 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.450 7.656 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.300 10.306 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.938 11.079 3.999 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.115 8.140 -1.412 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.455 8.044 -2.824 1.00 0.00 C ATOM 1105 C ALA A 68 -8.027 6.685 -3.382 1.00 0.00 C ATOM 1106 O ALA A 68 -8.794 6.089 -4.129 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.800 9.189 -3.606 1.00 0.00 C ATOM 0 H ALA A 68 -7.268 8.678 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.536 8.131 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.062 9.106 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.155 10.144 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.717 9.132 -3.496 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.843 6.178 -3.013 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.327 4.884 -3.472 1.00 0.00 C ATOM 1115 C ILE A 69 -7.369 3.781 -3.252 1.00 0.00 C ATOM 1116 O ILE A 69 -7.721 3.055 -4.179 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.976 4.580 -2.768 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.863 5.478 -3.353 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.644 3.072 -2.822 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.557 5.482 -2.554 1.00 0.00 C ATOM 0 H ILE A 69 -6.209 6.663 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.136 4.923 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.056 4.823 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.649 5.152 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.236 6.500 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.693 2.891 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.431 2.508 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.573 2.752 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.835 6.139 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.750 5.839 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.154 4.470 -2.510 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.846 3.642 -2.019 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.811 2.625 -1.629 1.00 0.00 C ATOM 1134 C CYS A 70 -10.108 2.778 -2.426 1.00 0.00 C ATOM 1135 O CYS A 70 -10.679 1.764 -2.800 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.047 2.823 -0.123 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.523 2.743 0.863 1.00 0.00 S ATOM 0 H CYS A 70 -7.565 4.248 -1.248 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.445 1.619 -1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.525 3.789 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.741 2.061 0.232 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.598 3.988 -2.692 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.812 4.123 -3.495 1.00 0.00 C ATOM 1144 C VAL A 71 -11.532 3.764 -4.971 1.00 0.00 C ATOM 1145 O VAL A 71 -12.365 3.110 -5.590 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.483 5.487 -3.222 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.800 5.690 -3.985 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.848 5.625 -1.725 1.00 0.00 C ATOM 0 H VAL A 71 -10.187 4.866 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.565 3.394 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.749 6.224 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.213 6.669 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.612 5.629 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.511 4.915 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.320 6.593 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.539 4.830 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.943 5.550 -1.122 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.352 4.092 -5.517 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.982 3.860 -6.924 1.00 0.00 C ATOM 1160 C ASP A 72 -9.960 2.369 -7.277 1.00 0.00 C ATOM 1161 O ASP A 72 -10.593 1.947 -8.242 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.615 4.506 -7.202 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.183 4.516 -8.677 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.069 3.446 -9.318 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.766 5.615 -9.116 1.00 0.00 O ATOM 0 H ASP A 72 -9.608 4.538 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.741 4.320 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.636 5.534 -6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.857 3.979 -6.622 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.262 1.548 -6.480 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.216 0.092 -6.701 1.00 0.00 C ATOM 1172 C ILE A 73 -10.377 -0.678 -6.070 1.00 0.00 C ATOM 1173 O ILE A 73 -10.467 -1.895 -6.224 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.833 -0.495 -6.399 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.152 0.128 -5.175 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.988 -0.375 -7.663 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -5.992 -0.738 -4.714 1.00 0.00 C ATOM 0 H ILE A 73 -8.721 1.865 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.374 -0.051 -7.770 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.949 -1.543 -6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.792 1.127 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.875 0.239 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.996 -0.786 -7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.464 -0.928 -8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.900 0.675 -7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.520 -0.281 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.361 -1.729 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.262 -0.827 -5.518 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.256 0.055 -5.398 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.526 -0.332 -4.803 1.00 0.00 C ATOM 1191 C LYS A 74 -12.316 -1.176 -3.546 1.00 0.00 C ATOM 1192 O LYS A 74 -12.301 -2.406 -3.595 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.396 -0.998 -5.891 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.860 -1.050 -5.467 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.656 -2.249 -5.960 1.00 0.00 C ATOM 1196 CE LYS A 74 -17.107 -2.191 -5.451 1.00 0.00 C ATOM 1197 NZ LYS A 74 -17.904 -1.102 -6.061 1.00 0.00 N ATOM 0 H LYS A 74 -11.074 1.046 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.071 0.543 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.304 -0.443 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.034 -2.008 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.903 -1.034 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.352 -0.143 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.649 -2.272 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.183 -3.170 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.594 -3.145 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.099 -2.062 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.894 -1.182 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.521 -0.182 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.857 -1.176 -7.097 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.164 -0.508 -2.401 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.817 -1.141 -1.137 1.00 0.00 C ATOM 1213 C ILE A 75 -12.655 -0.543 0.019 1.00 0.00 C ATOM 1214 O ILE A 75 -12.800 -1.182 1.066 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.333 -0.777 -0.845 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.284 -0.946 -1.971 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.826 -1.614 0.342 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.903 -2.337 -2.404 1.00 0.00 C ATOM 0 H ILE A 75 -12.281 0.503 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.994 -2.214 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.397 0.297 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.654 -0.417 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.373 -0.438 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.786 -1.360 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.433 -1.402 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.899 -2.674 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.159 -2.280 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.487 -2.881 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.787 -2.859 -2.771 1.00 0.00 H new