USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 555 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 4 HIS : no HD1:sc= 1.31 K(o=1.5,f=-4.9!) USER MOD Set 1.2: A 6 TYR OH : rot 138:sc= 0.17 USER MOD Single : A 0 SER OG : rot 31:sc= 0.0468 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -1 GLN : amide:sc= -0.0437 K(o=-0.044,f=-0.65) USER MOD Single : A -1 GLN N :NH3+ -171:sc= 0 (180deg=-0.2) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0347 (180deg=-0.286) USER MOD Single : A 16 SER OG : rot 151:sc= 1.23 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -27:sc= 0.185 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -59:sc= 0.403 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=0.000168 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 40 MET CE :methyl 168:sc= -0.134 (180deg=-0.697) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -2.32! USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.14) USER MOD Single : A 46 ASN : amide:sc= 0.88 K(o=0.88,f=-3.4!) USER MOD Single : A 50 HIS : no HD1:sc= -0.054 X(o=-0.054,f=-0.0023) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.092 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.0951 K(o=-0.095,f=-0.84) USER MOD Single : A 67 HIS : no HD1:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 68 TYR OH : rot 90:sc= 0.579 USER MOD Single : A 69 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=-0.035) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A -1 -0.961 9.636 -13.802 1.00 0.00 N ATOM 2 CA GLN A -1 -0.662 11.048 -13.465 1.00 0.00 C ATOM 3 C GLN A -1 -0.472 11.198 -11.957 1.00 0.00 C ATOM 4 O GLN A -1 0.654 11.263 -11.465 1.00 0.00 O ATOM 5 CB GLN A -1 -1.791 11.968 -13.948 1.00 0.00 C ATOM 6 CG GLN A -1 -2.122 11.812 -15.424 1.00 0.00 C ATOM 7 CD GLN A -1 -0.920 12.022 -16.323 1.00 0.00 C ATOM 8 OE1 GLN A -1 -0.185 11.080 -16.620 1.00 0.00 O ATOM 9 NE2 GLN A -1 -0.717 13.248 -16.773 1.00 0.00 N ATOM 0 H1 GLN A -1 -0.938 9.513 -14.834 1.00 0.00 H new ATOM 0 H2 GLN A -1 -0.250 9.016 -13.364 1.00 0.00 H new ATOM 0 H3 GLN A -1 -1.905 9.386 -13.445 1.00 0.00 H new ATOM 0 HA GLN A -1 0.260 11.337 -13.970 1.00 0.00 H new ATOM 0 HB2 GLN A -1 -2.687 11.766 -13.361 1.00 0.00 H new ATOM 0 HB3 GLN A -1 -1.510 13.004 -13.756 1.00 0.00 H new ATOM 0 HG2 GLN A -1 -2.529 10.816 -15.597 1.00 0.00 H new ATOM 0 HG3 GLN A -1 -2.901 12.525 -15.694 1.00 0.00 H new ATOM 0 HE21 GLN A -1 -1.349 14.001 -16.503 1.00 0.00 H new ATOM 0 HE22 GLN A -1 0.072 13.441 -17.390 1.00 0.00 H new ATOM 20 N SER A 0 -1.579 11.239 -11.227 1.00 0.00 N ATOM 21 CA SER A 0 -1.538 11.284 -9.775 1.00 0.00 C ATOM 22 C SER A 0 -1.518 9.865 -9.222 1.00 0.00 C ATOM 23 O SER A 0 -1.951 8.926 -9.894 1.00 0.00 O ATOM 24 CB SER A 0 -2.751 12.059 -9.254 1.00 0.00 C ATOM 25 OG SER A 0 -3.926 11.711 -9.971 1.00 0.00 O ATOM 0 H SER A 0 -2.520 11.242 -11.621 1.00 0.00 H new ATOM 0 HA SER A 0 -0.634 11.795 -9.444 1.00 0.00 H new ATOM 0 HB2 SER A 0 -2.893 11.849 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.569 13.130 -9.345 1.00 0.00 H new ATOM 0 HG SER A 0 -3.864 10.779 -10.268 1.00 0.00 H new ATOM 31 N MET A 1 -0.989 9.697 -8.016 1.00 0.00 N ATOM 32 CA MET A 1 -0.898 8.374 -7.420 1.00 0.00 C ATOM 33 C MET A 1 -2.286 7.858 -7.089 1.00 0.00 C ATOM 34 O MET A 1 -3.079 8.540 -6.436 1.00 0.00 O ATOM 35 CB MET A 1 -0.052 8.362 -6.148 1.00 0.00 C ATOM 36 CG MET A 1 1.257 9.141 -6.234 1.00 0.00 C ATOM 37 SD MET A 1 1.018 10.930 -6.304 1.00 0.00 S ATOM 38 CE MET A 1 2.713 11.504 -6.262 1.00 0.00 C ATOM 0 H MET A 1 -0.621 10.453 -7.438 1.00 0.00 H new ATOM 0 HA MET A 1 -0.413 7.730 -8.154 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.647 8.770 -5.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.175 7.327 -5.891 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.875 8.897 -5.370 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.806 8.819 -7.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.729 12.593 -6.299 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.189 11.165 -5.342 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.254 11.104 -7.120 1.00 0.00 H new ATOM 48 N ALA A 2 -2.553 6.653 -7.532 1.00 0.00 N ATOM 49 CA ALA A 2 -3.859 6.028 -7.364 1.00 0.00 C ATOM 50 C ALA A 2 -3.745 4.730 -6.584 1.00 0.00 C ATOM 51 O ALA A 2 -4.684 4.309 -5.913 1.00 0.00 O ATOM 52 CB ALA A 2 -4.498 5.770 -8.720 1.00 0.00 C ATOM 0 H ALA A 2 -1.874 6.070 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.492 6.712 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.473 5.303 -8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.621 6.715 -9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.859 5.107 -9.303 1.00 0.00 H new ATOM 58 N LEU A 3 -2.585 4.106 -6.671 1.00 0.00 N ATOM 59 CA LEU A 3 -2.354 2.837 -6.013 1.00 0.00 C ATOM 60 C LEU A 3 -1.747 3.073 -4.654 1.00 0.00 C ATOM 61 O LEU A 3 -0.958 3.998 -4.462 1.00 0.00 O ATOM 62 CB LEU A 3 -1.438 1.941 -6.851 1.00 0.00 C ATOM 63 CG LEU A 3 -1.998 1.539 -8.207 1.00 0.00 C ATOM 64 CD1 LEU A 3 -1.802 2.661 -9.185 1.00 0.00 C ATOM 65 CD2 LEU A 3 -1.349 0.260 -8.710 1.00 0.00 C ATOM 0 H LEU A 3 -1.785 4.461 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.311 2.328 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.491 2.458 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.220 1.037 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.065 1.343 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.204 2.372 -10.156 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.322 3.550 -8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.738 2.877 -9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.769 -0.003 -9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.274 0.412 -8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.538 -0.547 -8.002 1.00 0.00 H new ATOM 77 N HIS A 4 -2.117 2.233 -3.717 1.00 0.00 N ATOM 78 CA HIS A 4 -1.635 2.372 -2.358 1.00 0.00 C ATOM 79 C HIS A 4 -0.241 1.791 -2.255 1.00 0.00 C ATOM 80 O HIS A 4 -0.019 0.615 -2.548 1.00 0.00 O ATOM 81 CB HIS A 4 -2.554 1.678 -1.361 1.00 0.00 C ATOM 82 CG HIS A 4 -3.866 2.367 -1.119 1.00 0.00 C ATOM 83 ND1 HIS A 4 -4.332 2.654 0.146 1.00 0.00 N ATOM 84 CD2 HIS A 4 -4.823 2.804 -1.976 1.00 0.00 C ATOM 85 CE1 HIS A 4 -5.513 3.232 0.059 1.00 0.00 C ATOM 86 NE2 HIS A 4 -5.835 3.336 -1.215 1.00 0.00 N ATOM 0 H HIS A 4 -2.749 1.447 -3.867 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.618 3.434 -2.113 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.752 0.667 -1.716 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.029 1.585 -0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.794 2.745 -3.054 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.116 3.565 0.891 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.696 3.745 -1.577 1.00 0.00 H new ATOM 95 N TYR A 5 0.674 2.619 -1.811 1.00 0.00 N ATOM 96 CA TYR A 5 2.083 2.267 -1.747 1.00 0.00 C ATOM 97 C TYR A 5 2.462 1.787 -0.356 1.00 0.00 C ATOM 98 O TYR A 5 2.313 2.517 0.623 1.00 0.00 O ATOM 99 CB TYR A 5 2.950 3.475 -2.118 1.00 0.00 C ATOM 100 CG TYR A 5 3.312 3.594 -3.582 1.00 0.00 C ATOM 101 CD1 TYR A 5 4.412 4.351 -3.969 1.00 0.00 C ATOM 102 CD2 TYR A 5 2.584 2.948 -4.570 1.00 0.00 C ATOM 103 CE1 TYR A 5 4.772 4.463 -5.295 1.00 0.00 C ATOM 104 CE2 TYR A 5 2.937 3.057 -5.901 1.00 0.00 C ATOM 105 CZ TYR A 5 4.031 3.814 -6.259 1.00 0.00 C ATOM 106 OH TYR A 5 4.387 3.916 -7.584 1.00 0.00 O ATOM 0 H TYR A 5 0.467 3.562 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 5 2.257 1.460 -2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.426 4.382 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.871 3.431 -1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.995 4.861 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.728 2.350 -4.294 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.630 5.056 -5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.357 2.550 -6.658 1.00 0.00 H new ATOM 0 HH TYR A 5 3.761 3.398 -8.132 1.00 0.00 H new ATOM 116 N TYR A 6 2.940 0.559 -0.276 1.00 0.00 N ATOM 117 CA TYR A 6 3.473 0.017 0.966 1.00 0.00 C ATOM 118 C TYR A 6 4.830 -0.606 0.673 1.00 0.00 C ATOM 119 O TYR A 6 4.994 -1.293 -0.333 1.00 0.00 O ATOM 120 CB TYR A 6 2.503 -0.996 1.575 1.00 0.00 C ATOM 121 CG TYR A 6 1.136 -0.403 1.849 1.00 0.00 C ATOM 122 CD1 TYR A 6 0.898 0.353 2.993 1.00 0.00 C ATOM 123 CD2 TYR A 6 0.089 -0.586 0.957 1.00 0.00 C ATOM 124 CE1 TYR A 6 -0.347 0.907 3.234 1.00 0.00 C ATOM 125 CE2 TYR A 6 -1.155 -0.037 1.194 1.00 0.00 C ATOM 126 CZ TYR A 6 -1.369 0.708 2.332 1.00 0.00 C ATOM 127 OH TYR A 6 -2.612 1.262 2.565 1.00 0.00 O ATOM 0 H TYR A 6 2.971 -0.089 -1.063 1.00 0.00 H new ATOM 0 HA TYR A 6 3.596 0.812 1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.398 -1.844 0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.921 -1.380 2.505 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.697 0.510 3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.250 -1.168 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.517 1.493 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.958 -0.191 0.489 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.969 1.628 1.729 1.00 0.00 H new ATOM 137 N CYS A 7 5.812 -0.337 1.519 1.00 0.00 N ATOM 138 CA CYS A 7 7.181 -0.658 1.168 1.00 0.00 C ATOM 139 C CYS A 7 7.524 -2.129 1.297 1.00 0.00 C ATOM 140 O CYS A 7 7.125 -2.812 2.237 1.00 0.00 O ATOM 141 CB CYS A 7 8.209 0.135 1.967 1.00 0.00 C ATOM 142 SG CYS A 7 9.869 -0.136 1.264 1.00 0.00 S ATOM 0 H CYS A 7 5.689 0.094 2.435 1.00 0.00 H new ATOM 0 HA CYS A 7 7.235 -0.376 0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.962 1.196 1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.190 -0.175 3.012 1.00 0.00 H new ATOM 147 N ARG A 8 8.302 -2.573 0.322 1.00 0.00 N ATOM 148 CA ARG A 8 8.992 -3.843 0.360 1.00 0.00 C ATOM 149 C ARG A 8 9.924 -3.878 1.575 1.00 0.00 C ATOM 150 O ARG A 8 10.832 -3.053 1.691 1.00 0.00 O ATOM 151 CB ARG A 8 9.776 -4.004 -0.960 1.00 0.00 C ATOM 152 CG ARG A 8 10.544 -5.311 -1.126 1.00 0.00 C ATOM 153 CD ARG A 8 11.883 -5.303 -0.397 1.00 0.00 C ATOM 154 NE ARG A 8 12.745 -4.184 -0.797 1.00 0.00 N ATOM 155 CZ ARG A 8 13.931 -3.928 -0.242 1.00 0.00 C ATOM 156 NH1 ARG A 8 14.392 -4.696 0.739 1.00 0.00 N ATOM 157 NH2 ARG A 8 14.661 -2.906 -0.669 1.00 0.00 N ATOM 0 H ARG A 8 8.472 -2.045 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 8 8.289 -4.670 0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.075 -3.910 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.482 -3.178 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.936 -6.135 -0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.713 -5.496 -2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.706 -5.252 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.402 -6.242 -0.591 1.00 0.00 H new ATOM 0 HE ARG A 8 12.419 -3.567 -1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.839 -5.486 1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.299 -4.496 1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.316 -2.313 -1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.567 -2.713 -0.242 1.00 0.00 H new ATOM 171 N HIS A 9 9.629 -4.788 2.499 1.00 0.00 N ATOM 172 CA HIS A 9 10.475 -5.074 3.671 1.00 0.00 C ATOM 173 C HIS A 9 10.168 -4.134 4.833 1.00 0.00 C ATOM 174 O HIS A 9 10.021 -4.579 5.969 1.00 0.00 O ATOM 175 CB HIS A 9 11.973 -5.034 3.325 1.00 0.00 C ATOM 176 CG HIS A 9 12.866 -5.488 4.439 1.00 0.00 C ATOM 177 ND1 HIS A 9 13.844 -4.693 5.000 1.00 0.00 N ATOM 178 CD2 HIS A 9 12.934 -6.676 5.083 1.00 0.00 C ATOM 179 CE1 HIS A 9 14.473 -5.374 5.940 1.00 0.00 C ATOM 180 NE2 HIS A 9 13.940 -6.579 6.011 1.00 0.00 N ATOM 0 H HIS A 9 8.785 -5.360 2.461 1.00 0.00 H new ATOM 0 HA HIS A 9 10.234 -6.089 3.985 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.151 -5.661 2.451 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.245 -4.016 3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.312 -7.540 4.901 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.286 -5.007 6.548 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.229 -7.318 6.652 1.00 0.00 H new ATOM 189 N CYS A 10 10.077 -2.841 4.559 1.00 0.00 N ATOM 190 CA CYS A 10 9.737 -1.881 5.604 1.00 0.00 C ATOM 191 C CYS A 10 8.278 -2.028 6.012 1.00 0.00 C ATOM 192 O CYS A 10 7.935 -1.990 7.194 1.00 0.00 O ATOM 193 CB CYS A 10 9.944 -0.447 5.130 1.00 0.00 C ATOM 194 SG CYS A 10 11.617 -0.013 4.655 1.00 0.00 S ATOM 0 H CYS A 10 10.231 -2.434 3.636 1.00 0.00 H new ATOM 0 HA CYS A 10 10.394 -2.088 6.449 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.287 -0.268 4.279 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.626 0.227 5.925 1.00 0.00 H new ATOM 199 N GLY A 11 7.424 -2.195 5.008 1.00 0.00 N ATOM 200 CA GLY A 11 5.998 -2.194 5.232 1.00 0.00 C ATOM 201 C GLY A 11 5.460 -0.787 5.398 1.00 0.00 C ATOM 202 O GLY A 11 4.299 -0.598 5.756 1.00 0.00 O ATOM 0 H GLY A 11 7.702 -2.332 4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.497 -2.679 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.769 -2.779 6.123 1.00 0.00 H new ATOM 206 N VAL A 12 6.307 0.209 5.119 1.00 0.00 N ATOM 207 CA VAL A 12 5.940 1.595 5.330 1.00 0.00 C ATOM 208 C VAL A 12 4.985 2.102 4.268 1.00 0.00 C ATOM 209 O VAL A 12 5.135 1.807 3.083 1.00 0.00 O ATOM 210 CB VAL A 12 7.173 2.528 5.445 1.00 0.00 C ATOM 211 CG1 VAL A 12 8.171 2.302 4.333 1.00 0.00 C ATOM 212 CG2 VAL A 12 6.756 3.972 5.428 1.00 0.00 C ATOM 0 H VAL A 12 7.247 0.072 4.748 1.00 0.00 H new ATOM 0 HA VAL A 12 5.421 1.620 6.288 1.00 0.00 H new ATOM 0 HB VAL A 12 7.650 2.286 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.016 2.979 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.525 1.271 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.694 2.492 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.638 4.607 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.238 4.190 4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.089 4.168 6.268 1.00 0.00 H new ATOM 222 N LYS A 13 3.991 2.852 4.726 1.00 0.00 N ATOM 223 CA LYS A 13 2.995 3.448 3.858 1.00 0.00 C ATOM 224 C LYS A 13 3.624 4.569 3.038 1.00 0.00 C ATOM 225 O LYS A 13 3.754 5.700 3.511 1.00 0.00 O ATOM 226 CB LYS A 13 1.823 4.010 4.677 1.00 0.00 C ATOM 227 CG LYS A 13 1.160 3.015 5.625 1.00 0.00 C ATOM 228 CD LYS A 13 1.850 2.970 6.984 1.00 0.00 C ATOM 229 CE LYS A 13 1.085 2.107 7.981 1.00 0.00 C ATOM 230 NZ LYS A 13 -0.272 2.648 8.274 1.00 0.00 N ATOM 0 H LYS A 13 3.856 3.062 5.715 1.00 0.00 H new ATOM 0 HA LYS A 13 2.617 2.673 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.181 4.859 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.068 4.390 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.113 3.286 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.177 2.021 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.860 2.579 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.944 3.982 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.993 1.095 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.654 2.037 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.645 2.202 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.213 3.677 8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.907 2.443 7.476 1.00 0.00 H new ATOM 244 N VAL A 14 4.012 4.255 1.813 1.00 0.00 N ATOM 245 CA VAL A 14 4.639 5.237 0.940 1.00 0.00 C ATOM 246 C VAL A 14 3.595 5.942 0.084 1.00 0.00 C ATOM 247 O VAL A 14 3.924 6.782 -0.753 1.00 0.00 O ATOM 248 CB VAL A 14 5.715 4.625 0.012 1.00 0.00 C ATOM 249 CG1 VAL A 14 7.055 5.296 0.255 1.00 0.00 C ATOM 250 CG2 VAL A 14 5.838 3.115 0.191 1.00 0.00 C ATOM 0 H VAL A 14 3.905 3.329 1.400 1.00 0.00 H new ATOM 0 HA VAL A 14 5.133 5.950 1.600 1.00 0.00 H new ATOM 0 HB VAL A 14 5.401 4.804 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.806 4.858 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.970 6.363 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.353 5.149 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.605 2.730 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.113 2.892 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.883 2.642 -0.040 1.00 0.00 H new ATOM 260 N GLY A 15 2.332 5.593 0.299 1.00 0.00 N ATOM 261 CA GLY A 15 1.250 6.229 -0.426 1.00 0.00 C ATOM 262 C GLY A 15 0.712 7.429 0.320 1.00 0.00 C ATOM 263 O GLY A 15 -0.476 7.743 0.229 1.00 0.00 O ATOM 0 H GLY A 15 2.038 4.878 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.603 6.539 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.447 5.510 -0.588 1.00 0.00 H new ATOM 267 N SER A 16 1.606 8.094 1.050 1.00 0.00 N ATOM 268 CA SER A 16 1.273 9.246 1.880 1.00 0.00 C ATOM 269 C SER A 16 0.424 8.841 3.085 1.00 0.00 C ATOM 270 O SER A 16 -0.691 8.332 2.951 1.00 0.00 O ATOM 271 CB SER A 16 0.566 10.339 1.073 1.00 0.00 C ATOM 272 OG SER A 16 0.348 11.486 1.875 1.00 0.00 O ATOM 0 H SER A 16 2.594 7.843 1.081 1.00 0.00 H new ATOM 0 HA SER A 16 2.215 9.653 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.168 10.605 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.386 9.964 0.698 1.00 0.00 H new ATOM 0 HG SER A 16 0.340 12.285 1.308 1.00 0.00 H new ATOM 278 N LEU A 17 0.979 9.063 4.265 1.00 0.00 N ATOM 279 CA LEU A 17 0.277 8.816 5.514 1.00 0.00 C ATOM 280 C LEU A 17 -0.220 10.130 6.088 1.00 0.00 C ATOM 281 O LEU A 17 -0.945 10.165 7.081 1.00 0.00 O ATOM 282 CB LEU A 17 1.209 8.144 6.517 1.00 0.00 C ATOM 283 CG LEU A 17 2.502 8.912 6.805 1.00 0.00 C ATOM 284 CD1 LEU A 17 2.814 8.894 8.290 1.00 0.00 C ATOM 285 CD2 LEU A 17 3.657 8.319 6.012 1.00 0.00 C ATOM 0 H LEU A 17 1.927 9.419 4.384 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.570 8.158 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.670 8.002 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.467 7.153 6.145 1.00 0.00 H new ATOM 0 HG LEU A 17 2.364 9.948 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.736 9.445 8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.996 9.361 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.934 7.863 8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.569 8.875 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.794 7.275 6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.437 8.381 4.946 1.00 0.00 H new ATOM 297 N GLU A 18 0.200 11.206 5.446 1.00 0.00 N ATOM 298 CA GLU A 18 -0.133 12.555 5.872 1.00 0.00 C ATOM 299 C GLU A 18 -1.640 12.798 5.838 1.00 0.00 C ATOM 300 O GLU A 18 -2.349 12.315 4.948 1.00 0.00 O ATOM 301 CB GLU A 18 0.581 13.570 4.981 1.00 0.00 C ATOM 302 CG GLU A 18 2.095 13.485 5.060 1.00 0.00 C ATOM 303 CD GLU A 18 2.787 14.482 4.157 1.00 0.00 C ATOM 304 OE1 GLU A 18 3.413 14.057 3.160 1.00 0.00 O ATOM 305 OE2 GLU A 18 2.720 15.697 4.443 1.00 0.00 O ATOM 0 H GLU A 18 0.784 11.169 4.611 1.00 0.00 H new ATOM 0 HA GLU A 18 0.200 12.675 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.270 13.417 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.266 14.575 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.410 13.654 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.412 12.477 4.791 1.00 0.00 H new ATOM 312 N SER A 19 -2.118 13.552 6.818 1.00 0.00 N ATOM 313 CA SER A 19 -3.526 13.899 6.907 1.00 0.00 C ATOM 314 C SER A 19 -3.918 14.790 5.736 1.00 0.00 C ATOM 315 O SER A 19 -3.075 15.509 5.194 1.00 0.00 O ATOM 316 CB SER A 19 -3.805 14.612 8.228 1.00 0.00 C ATOM 317 OG SER A 19 -3.332 13.847 9.326 1.00 0.00 O ATOM 0 H SER A 19 -1.544 13.937 7.568 1.00 0.00 H new ATOM 0 HA SER A 19 -4.120 12.986 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.324 15.590 8.227 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.876 14.784 8.334 1.00 0.00 H new ATOM 0 HG SER A 19 -3.520 14.323 10.162 1.00 0.00 H new ATOM 323 N SER A 20 -5.188 14.707 5.338 1.00 0.00 N ATOM 324 CA SER A 20 -5.721 15.461 4.202 1.00 0.00 C ATOM 325 C SER A 20 -5.255 14.844 2.881 1.00 0.00 C ATOM 326 O SER A 20 -5.755 15.190 1.810 1.00 0.00 O ATOM 327 CB SER A 20 -5.324 16.942 4.294 1.00 0.00 C ATOM 328 OG SER A 20 -5.960 17.726 3.296 1.00 0.00 O ATOM 0 H SER A 20 -5.879 14.113 5.796 1.00 0.00 H new ATOM 0 HA SER A 20 -6.809 15.407 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.586 17.327 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.243 17.034 4.193 1.00 0.00 H new ATOM 0 HG SER A 20 -6.161 17.165 2.518 1.00 0.00 H new ATOM 334 N MET A 21 -4.307 13.919 2.965 1.00 0.00 N ATOM 335 CA MET A 21 -3.847 13.184 1.801 1.00 0.00 C ATOM 336 C MET A 21 -4.409 11.777 1.864 1.00 0.00 C ATOM 337 O MET A 21 -4.789 11.192 0.849 1.00 0.00 O ATOM 338 CB MET A 21 -2.320 13.160 1.744 1.00 0.00 C ATOM 339 CG MET A 21 -1.702 14.541 1.598 1.00 0.00 C ATOM 340 SD MET A 21 0.095 14.492 1.461 1.00 0.00 S ATOM 341 CE MET A 21 0.464 16.242 1.370 1.00 0.00 C ATOM 0 H MET A 21 -3.841 13.661 3.835 1.00 0.00 H new ATOM 0 HA MET A 21 -4.198 13.676 0.894 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.937 12.692 2.651 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.004 12.538 0.906 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.116 15.028 0.715 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.980 15.151 2.458 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.541 16.383 1.282 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.031 16.673 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.106 16.737 2.273 1.00 0.00 H new ATOM 351 N VAL A 22 -4.456 11.243 3.077 1.00 0.00 N ATOM 352 CA VAL A 22 -5.192 10.023 3.349 1.00 0.00 C ATOM 353 C VAL A 22 -6.689 10.315 3.279 1.00 0.00 C ATOM 354 O VAL A 22 -7.228 11.039 4.116 1.00 0.00 O ATOM 355 CB VAL A 22 -4.834 9.447 4.739 1.00 0.00 C ATOM 356 CG1 VAL A 22 -5.718 8.266 5.086 1.00 0.00 C ATOM 357 CG2 VAL A 22 -3.373 9.038 4.785 1.00 0.00 C ATOM 0 H VAL A 22 -3.988 11.641 3.891 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.920 9.280 2.600 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.005 10.229 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.443 7.882 6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.761 8.583 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.587 7.482 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.139 8.635 5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.184 8.277 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.745 9.908 4.590 1.00 0.00 H new ATOM 367 N SER A 23 -7.354 9.767 2.276 1.00 0.00 N ATOM 368 CA SER A 23 -8.759 10.067 2.042 1.00 0.00 C ATOM 369 C SER A 23 -9.665 9.068 2.749 1.00 0.00 C ATOM 370 O SER A 23 -10.892 9.150 2.657 1.00 0.00 O ATOM 371 CB SER A 23 -9.048 10.059 0.543 1.00 0.00 C ATOM 372 OG SER A 23 -8.187 10.956 -0.143 1.00 0.00 O ATOM 0 H SER A 23 -6.945 9.112 1.610 1.00 0.00 H new ATOM 0 HA SER A 23 -8.965 11.057 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.919 9.051 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.087 10.339 0.367 1.00 0.00 H new ATOM 0 HG SER A 23 -8.388 10.934 -1.102 1.00 0.00 H new ATOM 378 N THR A 24 -9.041 8.132 3.459 1.00 0.00 N ATOM 379 CA THR A 24 -9.755 7.053 4.130 1.00 0.00 C ATOM 380 C THR A 24 -10.551 6.252 3.100 1.00 0.00 C ATOM 381 O THR A 24 -11.709 5.889 3.305 1.00 0.00 O ATOM 382 CB THR A 24 -10.681 7.589 5.242 1.00 0.00 C ATOM 383 OG1 THR A 24 -9.999 8.607 5.990 1.00 0.00 O ATOM 384 CG2 THR A 24 -11.096 6.472 6.190 1.00 0.00 C ATOM 0 H THR A 24 -8.029 8.101 3.584 1.00 0.00 H new ATOM 0 HA THR A 24 -9.025 6.401 4.609 1.00 0.00 H new ATOM 0 HB THR A 24 -11.573 8.002 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.590 8.947 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.748 6.876 6.965 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.628 5.701 5.633 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.209 6.039 6.652 1.00 0.00 H new ATOM 392 N ASP A 25 -9.896 5.981 1.982 1.00 0.00 N ATOM 393 CA ASP A 25 -10.517 5.291 0.861 1.00 0.00 C ATOM 394 C ASP A 25 -10.243 3.810 0.976 1.00 0.00 C ATOM 395 O ASP A 25 -10.787 2.998 0.232 1.00 0.00 O ATOM 396 CB ASP A 25 -9.953 5.818 -0.457 1.00 0.00 C ATOM 397 CG ASP A 25 -8.500 5.421 -0.677 1.00 0.00 C ATOM 398 OD1 ASP A 25 -7.612 6.038 -0.053 1.00 0.00 O ATOM 399 OD2 ASP A 25 -8.238 4.498 -1.477 1.00 0.00 O ATOM 0 H ASP A 25 -8.920 6.233 1.826 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.592 5.469 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.557 5.441 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.034 6.905 -0.473 1.00 0.00 H new ATOM 404 N SER A 26 -9.396 3.485 1.937 1.00 0.00 N ATOM 405 CA SER A 26 -8.913 2.130 2.154 1.00 0.00 C ATOM 406 C SER A 26 -10.005 1.203 2.710 1.00 0.00 C ATOM 407 O SER A 26 -9.856 0.615 3.785 1.00 0.00 O ATOM 408 CB SER A 26 -7.707 2.180 3.096 1.00 0.00 C ATOM 409 OG SER A 26 -7.163 0.891 3.339 1.00 0.00 O ATOM 0 H SER A 26 -9.018 4.163 2.598 1.00 0.00 H new ATOM 0 HA SER A 26 -8.617 1.711 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.938 2.822 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.006 2.631 4.042 1.00 0.00 H new ATOM 0 HG SER A 26 -7.852 0.314 3.730 1.00 0.00 H new ATOM 415 N LEU A 27 -11.098 1.074 1.975 1.00 0.00 N ATOM 416 CA LEU A 27 -12.117 0.090 2.295 1.00 0.00 C ATOM 417 C LEU A 27 -12.213 -0.940 1.188 1.00 0.00 C ATOM 418 O LEU A 27 -11.916 -0.658 0.022 1.00 0.00 O ATOM 419 CB LEU A 27 -13.489 0.724 2.517 1.00 0.00 C ATOM 420 CG LEU A 27 -13.653 1.501 3.821 1.00 0.00 C ATOM 421 CD1 LEU A 27 -15.091 1.960 3.991 1.00 0.00 C ATOM 422 CD2 LEU A 27 -13.218 0.664 5.013 1.00 0.00 C ATOM 0 H LEU A 27 -11.302 1.640 1.151 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.816 -0.388 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.697 1.397 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.242 -0.063 2.487 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.011 2.380 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.189 2.512 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.368 2.606 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.750 1.092 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.345 1.241 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.827 -0.238 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.169 0.388 4.901 1.00 0.00 H new ATOM 434 N GLY A 28 -12.635 -2.121 1.565 1.00 0.00 N ATOM 435 CA GLY A 28 -12.746 -3.217 0.644 1.00 0.00 C ATOM 436 C GLY A 28 -13.182 -4.457 1.373 1.00 0.00 C ATOM 437 O GLY A 28 -12.352 -5.190 1.910 1.00 0.00 O ATOM 0 H GLY A 28 -12.911 -2.347 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.464 -2.974 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.788 -3.391 0.155 1.00 0.00 H new ATOM 441 N PHE A 29 -14.482 -4.680 1.414 1.00 0.00 N ATOM 442 CA PHE A 29 -15.043 -5.744 2.187 1.00 0.00 C ATOM 443 C PHE A 29 -14.718 -7.086 1.566 1.00 0.00 C ATOM 444 O PHE A 29 -14.143 -7.184 0.478 1.00 0.00 O ATOM 445 CB PHE A 29 -16.555 -5.565 2.317 1.00 0.00 C ATOM 446 CG PHE A 29 -16.985 -4.517 3.313 1.00 0.00 C ATOM 447 CD1 PHE A 29 -16.453 -3.227 3.311 1.00 0.00 C ATOM 448 CD2 PHE A 29 -17.946 -4.834 4.258 1.00 0.00 C ATOM 449 CE1 PHE A 29 -16.877 -2.292 4.235 1.00 0.00 C ATOM 450 CE2 PHE A 29 -18.369 -3.903 5.181 1.00 0.00 C ATOM 451 CZ PHE A 29 -17.835 -2.630 5.171 1.00 0.00 C ATOM 0 H PHE A 29 -15.170 -4.122 0.908 1.00 0.00 H new ATOM 0 HA PHE A 29 -14.603 -5.715 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -16.961 -5.305 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.996 -6.520 2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.704 -2.958 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.371 -5.827 4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -16.459 -1.296 4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -19.118 -4.169 5.912 1.00 0.00 H new ATOM 0 HZ PHE A 29 -18.166 -1.899 5.894 1.00 0.00 H new ATOM 461 N GLN A 30 -15.106 -8.105 2.281 1.00 0.00 N ATOM 462 CA GLN A 30 -14.711 -9.469 1.991 1.00 0.00 C ATOM 463 C GLN A 30 -15.853 -10.397 2.309 1.00 0.00 C ATOM 464 O GLN A 30 -16.305 -11.183 1.481 1.00 0.00 O ATOM 465 CB GLN A 30 -13.524 -9.862 2.867 1.00 0.00 C ATOM 466 CG GLN A 30 -12.435 -8.814 2.916 1.00 0.00 C ATOM 467 CD GLN A 30 -11.120 -9.334 3.464 1.00 0.00 C ATOM 468 OE1 GLN A 30 -10.266 -9.818 2.717 1.00 0.00 O ATOM 469 NE2 GLN A 30 -10.941 -9.227 4.769 1.00 0.00 N ATOM 0 H GLN A 30 -15.714 -8.018 3.095 1.00 0.00 H new ATOM 0 HA GLN A 30 -14.440 -9.541 0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.878 -10.054 3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.102 -10.796 2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.272 -8.423 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.772 -7.980 3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.672 -8.821 5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.072 -9.551 5.193 1.00 0.00 H new ATOM 478 N HIS A 31 -16.312 -10.275 3.533 1.00 0.00 N ATOM 479 CA HIS A 31 -17.384 -11.114 4.038 1.00 0.00 C ATOM 480 C HIS A 31 -18.632 -10.283 4.279 1.00 0.00 C ATOM 481 O HIS A 31 -18.763 -9.606 5.302 1.00 0.00 O ATOM 482 CB HIS A 31 -16.959 -11.832 5.319 1.00 0.00 C ATOM 483 CG HIS A 31 -15.971 -12.937 5.093 1.00 0.00 C ATOM 484 ND1 HIS A 31 -16.339 -14.258 4.964 1.00 0.00 N ATOM 485 CD2 HIS A 31 -14.621 -12.914 4.973 1.00 0.00 C ATOM 486 CE1 HIS A 31 -15.264 -14.997 4.776 1.00 0.00 C ATOM 487 NE2 HIS A 31 -14.207 -14.207 4.776 1.00 0.00 N ATOM 0 H HIS A 31 -15.958 -9.596 4.207 1.00 0.00 H new ATOM 0 HA HIS A 31 -17.609 -11.872 3.288 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -16.526 -11.105 6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -17.844 -12.242 5.805 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.989 -12.040 5.023 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.250 -16.069 4.644 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.241 -14.508 4.650 1.00 0.00 H new ATOM 496 N LEU A 32 -19.537 -10.331 3.319 1.00 0.00 N ATOM 497 CA LEU A 32 -20.754 -9.544 3.363 1.00 0.00 C ATOM 498 C LEU A 32 -21.872 -10.253 2.626 1.00 0.00 C ATOM 499 O LEU A 32 -21.634 -11.029 1.697 1.00 0.00 O ATOM 500 CB LEU A 32 -20.556 -8.131 2.772 1.00 0.00 C ATOM 501 CG LEU A 32 -19.963 -8.013 1.357 1.00 0.00 C ATOM 502 CD1 LEU A 32 -20.002 -6.564 0.915 1.00 0.00 C ATOM 503 CD2 LEU A 32 -18.535 -8.523 1.289 1.00 0.00 C ATOM 0 H LEU A 32 -19.449 -10.916 2.488 1.00 0.00 H new ATOM 0 HA LEU A 32 -21.022 -9.432 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -21.525 -7.632 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -19.911 -7.573 3.451 1.00 0.00 H new ATOM 0 HG LEU A 32 -20.566 -8.632 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -19.582 -6.478 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -21.034 -6.214 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -19.418 -5.957 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.160 -8.419 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.909 -7.943 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.509 -9.573 1.580 1.00 0.00 H new ATOM 515 N THR A 33 -23.086 -9.989 3.059 1.00 0.00 N ATOM 516 CA THR A 33 -24.260 -10.564 2.444 1.00 0.00 C ATOM 517 C THR A 33 -24.728 -9.692 1.297 1.00 0.00 C ATOM 518 O THR A 33 -24.111 -8.663 1.016 1.00 0.00 O ATOM 519 CB THR A 33 -25.394 -10.702 3.466 1.00 0.00 C ATOM 520 OG1 THR A 33 -25.402 -9.557 4.329 1.00 0.00 O ATOM 521 CG2 THR A 33 -25.243 -11.966 4.287 1.00 0.00 C ATOM 0 H THR A 33 -23.285 -9.371 3.846 1.00 0.00 H new ATOM 0 HA THR A 33 -23.996 -11.553 2.069 1.00 0.00 H new ATOM 0 HB THR A 33 -26.339 -10.763 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 33 -26.128 -9.644 4.982 1.00 0.00 H new ATOM 0 HG21 THR A 33 -26.062 -12.035 5.003 1.00 0.00 H new ATOM 0 HG22 THR A 33 -25.264 -12.833 3.627 1.00 0.00 H new ATOM 0 HG23 THR A 33 -24.294 -11.941 4.823 1.00 0.00 H new ATOM 529 N ASN A 34 -25.819 -10.078 0.653 1.00 0.00 N ATOM 530 CA ASN A 34 -26.379 -9.274 -0.427 1.00 0.00 C ATOM 531 C ASN A 34 -26.691 -7.873 0.078 1.00 0.00 C ATOM 532 O ASN A 34 -26.521 -6.886 -0.641 1.00 0.00 O ATOM 533 CB ASN A 34 -27.656 -9.904 -0.998 1.00 0.00 C ATOM 534 CG ASN A 34 -27.421 -11.261 -1.632 1.00 0.00 C ATOM 535 OD1 ASN A 34 -27.046 -11.359 -2.802 1.00 0.00 O ATOM 536 ND2 ASN A 34 -27.676 -12.319 -0.880 1.00 0.00 N ATOM 0 H ASN A 34 -26.332 -10.936 0.856 1.00 0.00 H new ATOM 0 HA ASN A 34 -25.636 -9.227 -1.223 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -28.391 -10.006 -0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -28.084 -9.232 -1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -27.564 -13.257 -1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -27.985 -12.197 0.084 1.00 0.00 H new ATOM 543 N GLU A 35 -27.112 -7.788 1.334 1.00 0.00 N ATOM 544 CA GLU A 35 -27.515 -6.514 1.905 1.00 0.00 C ATOM 545 C GLU A 35 -26.314 -5.645 2.283 1.00 0.00 C ATOM 546 O GLU A 35 -26.325 -4.447 2.021 1.00 0.00 O ATOM 547 CB GLU A 35 -28.449 -6.722 3.090 1.00 0.00 C ATOM 548 CG GLU A 35 -27.898 -7.652 4.139 1.00 0.00 C ATOM 549 CD GLU A 35 -28.889 -7.918 5.248 1.00 0.00 C ATOM 550 OE1 GLU A 35 -28.875 -7.180 6.256 1.00 0.00 O ATOM 551 OE2 GLU A 35 -29.689 -8.867 5.116 1.00 0.00 O ATOM 0 H GLU A 35 -27.182 -8.582 1.971 1.00 0.00 H new ATOM 0 HA GLU A 35 -28.062 -5.971 1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -28.661 -5.756 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -29.398 -7.118 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -27.616 -8.596 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -26.990 -7.222 4.562 1.00 0.00 H new ATOM 558 N GLU A 36 -25.259 -6.238 2.853 1.00 0.00 N ATOM 559 CA GLU A 36 -24.084 -5.466 3.217 1.00 0.00 C ATOM 560 C GLU A 36 -23.353 -5.038 1.953 1.00 0.00 C ATOM 561 O GLU A 36 -22.665 -4.016 1.924 1.00 0.00 O ATOM 562 CB GLU A 36 -23.168 -6.290 4.115 1.00 0.00 C ATOM 563 CG GLU A 36 -23.728 -6.549 5.500 1.00 0.00 C ATOM 564 CD GLU A 36 -22.772 -7.349 6.357 1.00 0.00 C ATOM 565 OE1 GLU A 36 -22.837 -8.596 6.321 1.00 0.00 O ATOM 566 OE2 GLU A 36 -21.941 -6.737 7.059 1.00 0.00 O ATOM 0 H GLU A 36 -25.202 -7.234 3.066 1.00 0.00 H new ATOM 0 HA GLU A 36 -24.390 -4.578 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -22.967 -7.246 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -22.212 -5.775 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -23.943 -5.598 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -24.673 -7.085 5.415 1.00 0.00 H new ATOM 573 N ARG A 37 -23.522 -5.837 0.909 1.00 0.00 N ATOM 574 CA ARG A 37 -22.974 -5.549 -0.389 1.00 0.00 C ATOM 575 C ARG A 37 -23.727 -4.402 -1.045 1.00 0.00 C ATOM 576 O ARG A 37 -23.147 -3.621 -1.783 1.00 0.00 O ATOM 577 CB ARG A 37 -23.060 -6.807 -1.239 1.00 0.00 C ATOM 578 CG ARG A 37 -22.457 -6.661 -2.610 1.00 0.00 C ATOM 579 CD ARG A 37 -22.629 -7.935 -3.416 1.00 0.00 C ATOM 580 NE ARG A 37 -22.096 -9.098 -2.705 1.00 0.00 N ATOM 581 CZ ARG A 37 -22.764 -10.239 -2.523 1.00 0.00 C ATOM 582 NH1 ARG A 37 -23.991 -10.386 -3.009 1.00 0.00 N ATOM 583 NH2 ARG A 37 -22.204 -11.234 -1.849 1.00 0.00 N ATOM 0 H ARG A 37 -24.050 -6.709 0.950 1.00 0.00 H new ATOM 0 HA ARG A 37 -21.932 -5.244 -0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -22.557 -7.621 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -24.107 -7.093 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -22.929 -5.829 -3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -21.397 -6.422 -2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -23.686 -8.091 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -22.122 -7.831 -4.375 1.00 0.00 H new ATOM 0 HE ARG A 37 -21.152 -9.032 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -24.430 -9.624 -3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -24.495 -11.261 -2.866 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -21.263 -11.127 -1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -22.714 -12.106 -1.710 1.00 0.00 H new ATOM 597 N ASN A 38 -25.017 -4.291 -0.750 1.00 0.00 N ATOM 598 CA ASN A 38 -25.838 -3.227 -1.323 1.00 0.00 C ATOM 599 C ASN A 38 -25.389 -1.869 -0.794 1.00 0.00 C ATOM 600 O ASN A 38 -25.253 -0.909 -1.556 1.00 0.00 O ATOM 601 CB ASN A 38 -27.320 -3.456 -1.008 1.00 0.00 C ATOM 602 CG ASN A 38 -28.226 -2.460 -1.713 1.00 0.00 C ATOM 603 OD1 ASN A 38 -27.910 -1.972 -2.800 1.00 0.00 O ATOM 604 ND2 ASN A 38 -29.365 -2.165 -1.109 1.00 0.00 N ATOM 0 H ASN A 38 -25.516 -4.920 -0.121 1.00 0.00 H new ATOM 0 HA ASN A 38 -25.711 -3.242 -2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -27.599 -4.468 -1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -27.475 -3.384 0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -30.018 -1.512 -1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -29.590 -2.590 -0.210 1.00 0.00 H new ATOM 611 N ASP A 39 -25.142 -1.800 0.510 1.00 0.00 N ATOM 612 CA ASP A 39 -24.645 -0.575 1.140 1.00 0.00 C ATOM 613 C ASP A 39 -23.271 -0.204 0.590 1.00 0.00 C ATOM 614 O ASP A 39 -22.956 0.972 0.402 1.00 0.00 O ATOM 615 CB ASP A 39 -24.545 -0.744 2.661 1.00 0.00 C ATOM 616 CG ASP A 39 -25.892 -0.881 3.340 1.00 0.00 C ATOM 617 OD1 ASP A 39 -26.411 0.131 3.857 1.00 0.00 O ATOM 618 OD2 ASP A 39 -26.430 -2.002 3.379 1.00 0.00 O ATOM 0 H ASP A 39 -25.277 -2.578 1.155 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.354 0.221 0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.943 -1.625 2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.020 0.114 3.081 1.00 0.00 H new ATOM 623 N MET A 40 -22.466 -1.221 0.317 1.00 0.00 N ATOM 624 CA MET A 40 -21.093 -1.028 -0.132 1.00 0.00 C ATOM 625 C MET A 40 -21.015 -1.047 -1.662 1.00 0.00 C ATOM 626 O MET A 40 -19.929 -1.021 -2.242 1.00 0.00 O ATOM 627 CB MET A 40 -20.207 -2.129 0.467 1.00 0.00 C ATOM 628 CG MET A 40 -18.716 -1.919 0.260 1.00 0.00 C ATOM 629 SD MET A 40 -18.104 -0.428 1.065 1.00 0.00 S ATOM 630 CE MET A 40 -16.367 -0.520 0.642 1.00 0.00 C ATOM 0 H MET A 40 -22.744 -2.199 0.400 1.00 0.00 H new ATOM 0 HA MET A 40 -20.739 -0.055 0.207 1.00 0.00 H new ATOM 0 HB2 MET A 40 -20.407 -2.197 1.536 1.00 0.00 H new ATOM 0 HB3 MET A 40 -20.491 -3.086 0.028 1.00 0.00 H new ATOM 0 HG2 MET A 40 -18.175 -2.783 0.646 1.00 0.00 H new ATOM 0 HG3 MET A 40 -18.506 -1.862 -0.808 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.884 0.428 0.878 1.00 0.00 H new ATOM 0 HE2 MET A 40 -15.895 -1.320 1.213 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.262 -0.725 -0.423 1.00 0.00 H new ATOM 640 N ILE A 41 -22.183 -1.078 -2.304 1.00 0.00 N ATOM 641 CA ILE A 41 -22.290 -1.191 -3.760 1.00 0.00 C ATOM 642 C ILE A 41 -21.843 -2.580 -4.226 1.00 0.00 C ATOM 643 O ILE A 41 -22.671 -3.394 -4.637 1.00 0.00 O ATOM 644 CB ILE A 41 -21.471 -0.103 -4.501 1.00 0.00 C ATOM 645 CG1 ILE A 41 -21.919 1.301 -4.072 1.00 0.00 C ATOM 646 CG2 ILE A 41 -21.603 -0.264 -6.012 1.00 0.00 C ATOM 647 CD1 ILE A 41 -23.376 1.598 -4.359 1.00 0.00 C ATOM 0 H ILE A 41 -23.084 -1.025 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.340 -1.041 -4.009 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.422 -0.227 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.739 1.418 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.301 2.040 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -21.021 0.510 -6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -21.232 -1.246 -6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.651 -0.171 -6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -23.614 2.609 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -23.560 1.516 -5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -24.005 0.884 -3.827 1.00 0.00 H new ATOM 659 N SER A 42 -20.536 -2.837 -4.124 1.00 0.00 N ATOM 660 CA SER A 42 -19.919 -4.108 -4.513 1.00 0.00 C ATOM 661 C SER A 42 -18.424 -3.898 -4.683 1.00 0.00 C ATOM 662 O SER A 42 -17.616 -4.797 -4.441 1.00 0.00 O ATOM 663 CB SER A 42 -20.493 -4.644 -5.831 1.00 0.00 C ATOM 664 OG SER A 42 -19.959 -5.920 -6.148 1.00 0.00 O ATOM 0 H SER A 42 -19.867 -2.157 -3.763 1.00 0.00 H new ATOM 0 HA SER A 42 -20.129 -4.836 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 42 -21.578 -4.711 -5.756 1.00 0.00 H new ATOM 0 HB3 SER A 42 -20.271 -3.945 -6.637 1.00 0.00 H new ATOM 0 HG SER A 42 -20.345 -6.236 -6.992 1.00 0.00 H new ATOM 670 N TYR A 43 -18.074 -2.692 -5.094 1.00 0.00 N ATOM 671 CA TYR A 43 -16.705 -2.352 -5.426 1.00 0.00 C ATOM 672 C TYR A 43 -15.910 -1.992 -4.175 1.00 0.00 C ATOM 673 O TYR A 43 -16.444 -1.417 -3.225 1.00 0.00 O ATOM 674 CB TYR A 43 -16.711 -1.189 -6.422 1.00 0.00 C ATOM 675 CG TYR A 43 -15.342 -0.768 -6.911 1.00 0.00 C ATOM 676 CD1 TYR A 43 -14.833 0.489 -6.610 1.00 0.00 C ATOM 677 CD2 TYR A 43 -14.566 -1.621 -7.685 1.00 0.00 C ATOM 678 CE1 TYR A 43 -13.593 0.884 -7.069 1.00 0.00 C ATOM 679 CE2 TYR A 43 -13.323 -1.235 -8.144 1.00 0.00 C ATOM 680 CZ TYR A 43 -12.840 0.019 -7.835 1.00 0.00 C ATOM 681 OH TYR A 43 -11.606 0.412 -8.299 1.00 0.00 O ATOM 0 H TYR A 43 -18.733 -1.921 -5.206 1.00 0.00 H new ATOM 0 HA TYR A 43 -16.219 -3.216 -5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -17.319 -1.468 -7.282 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -17.195 -0.331 -5.955 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.417 1.168 -6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -14.942 -2.603 -7.932 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.214 1.866 -6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.731 -1.912 -8.742 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.206 -0.315 -8.821 1.00 0.00 H new ATOM 691 N LYS A 44 -14.641 -2.365 -4.173 1.00 0.00 N ATOM 692 CA LYS A 44 -13.734 -2.003 -3.095 1.00 0.00 C ATOM 693 C LYS A 44 -13.275 -0.561 -3.286 1.00 0.00 C ATOM 694 O LYS A 44 -12.537 -0.261 -4.223 1.00 0.00 O ATOM 695 CB LYS A 44 -12.539 -2.961 -3.074 1.00 0.00 C ATOM 696 CG LYS A 44 -12.955 -4.422 -2.961 1.00 0.00 C ATOM 697 CD LYS A 44 -11.767 -5.371 -3.038 1.00 0.00 C ATOM 698 CE LYS A 44 -10.870 -5.248 -1.819 1.00 0.00 C ATOM 699 NZ LYS A 44 -9.757 -6.232 -1.846 1.00 0.00 N ATOM 0 H LYS A 44 -14.213 -2.923 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.248 -2.083 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.954 -2.824 -3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.890 -2.707 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.479 -4.576 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.659 -4.659 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.126 -6.397 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.189 -5.159 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.461 -4.239 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.463 -5.396 -0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.121 -6.059 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.144 -7.195 -1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.226 -6.131 -2.735 1.00 0.00 H new ATOM 713 N GLU A 45 -13.721 0.313 -2.389 1.00 0.00 N ATOM 714 CA GLU A 45 -13.525 1.764 -2.507 1.00 0.00 C ATOM 715 C GLU A 45 -12.070 2.165 -2.749 1.00 0.00 C ATOM 716 O GLU A 45 -11.804 3.182 -3.388 1.00 0.00 O ATOM 717 CB GLU A 45 -14.038 2.458 -1.247 1.00 0.00 C ATOM 718 CG GLU A 45 -15.542 2.438 -1.114 1.00 0.00 C ATOM 719 CD GLU A 45 -16.225 3.371 -2.091 1.00 0.00 C ATOM 720 OE1 GLU A 45 -16.587 2.930 -3.200 1.00 0.00 O ATOM 721 OE2 GLU A 45 -16.405 4.559 -1.750 1.00 0.00 O ATOM 0 H GLU A 45 -14.233 0.037 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.091 2.082 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.598 1.977 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.696 3.493 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.904 1.422 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.817 2.718 -0.097 1.00 0.00 H new ATOM 728 N ASN A 46 -11.130 1.376 -2.250 1.00 0.00 N ATOM 729 CA ASN A 46 -9.716 1.723 -2.372 1.00 0.00 C ATOM 730 C ASN A 46 -9.188 1.423 -3.772 1.00 0.00 C ATOM 731 O ASN A 46 -8.048 1.750 -4.093 1.00 0.00 O ATOM 732 CB ASN A 46 -8.876 0.988 -1.322 1.00 0.00 C ATOM 733 CG ASN A 46 -8.656 -0.478 -1.642 1.00 0.00 C ATOM 734 OD1 ASN A 46 -7.696 -0.837 -2.318 1.00 0.00 O ATOM 735 ND2 ASN A 46 -9.534 -1.334 -1.150 1.00 0.00 N ATOM 0 H ASN A 46 -11.314 0.500 -1.761 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.630 2.795 -2.197 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.908 1.481 -1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.367 1.070 -0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.427 -2.333 -1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.319 -0.996 -0.593 1.00 0.00 H new ATOM 742 N GLY A 47 -10.022 0.806 -4.601 1.00 0.00 N ATOM 743 CA GLY A 47 -9.622 0.483 -5.959 1.00 0.00 C ATOM 744 C GLY A 47 -8.917 -0.854 -6.046 1.00 0.00 C ATOM 745 O GLY A 47 -8.547 -1.301 -7.135 1.00 0.00 O ATOM 0 H GLY A 47 -10.971 0.523 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.502 0.470 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.963 1.264 -6.337 1.00 0.00 H new ATOM 749 N ASP A 48 -8.748 -1.487 -4.887 1.00 0.00 N ATOM 750 CA ASP A 48 -8.026 -2.749 -4.763 1.00 0.00 C ATOM 751 C ASP A 48 -6.629 -2.617 -5.365 1.00 0.00 C ATOM 752 O ASP A 48 -6.173 -3.461 -6.134 1.00 0.00 O ATOM 753 CB ASP A 48 -8.814 -3.883 -5.420 1.00 0.00 C ATOM 754 CG ASP A 48 -8.207 -5.252 -5.159 1.00 0.00 C ATOM 755 OD1 ASP A 48 -8.308 -5.741 -4.013 1.00 0.00 O ATOM 756 OD2 ASP A 48 -7.635 -5.849 -6.093 1.00 0.00 O ATOM 0 H ASP A 48 -9.112 -1.135 -4.001 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.915 -2.993 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.839 -3.869 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.861 -3.711 -6.495 1.00 0.00 H new ATOM 761 N VAL A 49 -5.962 -1.529 -5.024 1.00 0.00 N ATOM 762 CA VAL A 49 -4.628 -1.271 -5.509 1.00 0.00 C ATOM 763 C VAL A 49 -3.635 -1.261 -4.349 1.00 0.00 C ATOM 764 O VAL A 49 -3.420 -0.240 -3.698 1.00 0.00 O ATOM 765 CB VAL A 49 -4.580 0.064 -6.284 1.00 0.00 C ATOM 766 CG1 VAL A 49 -5.118 -0.125 -7.695 1.00 0.00 C ATOM 767 CG2 VAL A 49 -5.385 1.144 -5.566 1.00 0.00 C ATOM 0 H VAL A 49 -6.332 -0.806 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.347 -2.070 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.540 0.385 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.078 0.824 -8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.511 -0.863 -8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.150 -0.472 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.334 2.073 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.424 0.827 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.972 1.304 -4.570 1.00 0.00 H new ATOM 777 N HIS A 50 -3.037 -2.416 -4.106 1.00 0.00 N ATOM 778 CA HIS A 50 -2.102 -2.601 -3.006 1.00 0.00 C ATOM 779 C HIS A 50 -0.754 -3.042 -3.558 1.00 0.00 C ATOM 780 O HIS A 50 -0.533 -4.227 -3.803 1.00 0.00 O ATOM 781 CB HIS A 50 -2.645 -3.658 -2.034 1.00 0.00 C ATOM 782 CG HIS A 50 -1.850 -3.810 -0.771 1.00 0.00 C ATOM 783 ND1 HIS A 50 -2.284 -3.338 0.448 1.00 0.00 N ATOM 784 CD2 HIS A 50 -0.658 -4.408 -0.534 1.00 0.00 C ATOM 785 CE1 HIS A 50 -1.394 -3.635 1.376 1.00 0.00 C ATOM 786 NE2 HIS A 50 -0.398 -4.283 0.807 1.00 0.00 N ATOM 0 H HIS A 50 -3.186 -3.255 -4.667 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.980 -1.660 -2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.671 -3.400 -1.773 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.678 -4.620 -2.545 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.029 -4.893 -1.265 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.469 -3.388 2.425 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.431 -4.634 1.286 1.00 0.00 H new ATOM 795 N VAL A 51 0.141 -2.092 -3.755 1.00 0.00 N ATOM 796 CA VAL A 51 1.426 -2.386 -4.365 1.00 0.00 C ATOM 797 C VAL A 51 2.565 -2.288 -3.358 1.00 0.00 C ATOM 798 O VAL A 51 2.603 -1.380 -2.523 1.00 0.00 O ATOM 799 CB VAL A 51 1.710 -1.458 -5.564 1.00 0.00 C ATOM 800 CG1 VAL A 51 0.818 -1.813 -6.740 1.00 0.00 C ATOM 801 CG2 VAL A 51 1.504 -0.010 -5.181 1.00 0.00 C ATOM 0 H VAL A 51 0.004 -1.113 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 51 1.370 -3.414 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 51 2.750 -1.598 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.034 -1.147 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.005 -2.844 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.227 -1.704 -6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.710 0.627 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.473 0.138 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.180 0.251 -4.367 1.00 0.00 H new ATOM 811 N LEU A 52 3.477 -3.245 -3.435 1.00 0.00 N ATOM 812 CA LEU A 52 4.658 -3.258 -2.589 1.00 0.00 C ATOM 813 C LEU A 52 5.821 -2.640 -3.344 1.00 0.00 C ATOM 814 O LEU A 52 6.341 -3.229 -4.294 1.00 0.00 O ATOM 815 CB LEU A 52 5.019 -4.688 -2.151 1.00 0.00 C ATOM 816 CG LEU A 52 4.024 -5.385 -1.206 1.00 0.00 C ATOM 817 CD1 LEU A 52 3.703 -4.502 -0.011 1.00 0.00 C ATOM 818 CD2 LEU A 52 2.749 -5.780 -1.939 1.00 0.00 C ATOM 0 H LEU A 52 3.419 -4.031 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 52 4.446 -2.678 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.129 -5.302 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.993 -4.660 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 52 4.497 -6.297 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.998 -5.016 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.619 -4.288 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.262 -3.567 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.067 -6.270 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.273 -4.888 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.993 -6.465 -2.751 1.00 0.00 H new ATOM 830 N THR A 53 6.222 -1.457 -2.932 1.00 0.00 N ATOM 831 CA THR A 53 7.236 -0.710 -3.651 1.00 0.00 C ATOM 832 C THR A 53 8.410 -0.373 -2.739 1.00 0.00 C ATOM 833 O THR A 53 8.348 -0.579 -1.531 1.00 0.00 O ATOM 834 CB THR A 53 6.634 0.589 -4.231 1.00 0.00 C ATOM 835 OG1 THR A 53 7.555 1.215 -5.134 1.00 0.00 O ATOM 836 CG2 THR A 53 6.271 1.561 -3.119 1.00 0.00 C ATOM 0 H THR A 53 5.861 -0.989 -2.101 1.00 0.00 H new ATOM 0 HA THR A 53 7.599 -1.332 -4.469 1.00 0.00 H new ATOM 0 HB THR A 53 5.728 0.321 -4.775 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.156 2.035 -5.492 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.849 2.468 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.538 1.100 -2.457 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.166 1.813 -2.550 1.00 0.00 H new ATOM 844 N ILE A 54 9.480 0.134 -3.327 1.00 0.00 N ATOM 845 CA ILE A 54 10.645 0.561 -2.573 1.00 0.00 C ATOM 846 C ILE A 54 10.475 2.008 -2.124 1.00 0.00 C ATOM 847 O ILE A 54 10.225 2.898 -2.940 1.00 0.00 O ATOM 848 CB ILE A 54 11.934 0.379 -3.413 1.00 0.00 C ATOM 849 CG1 ILE A 54 12.581 -0.961 -3.079 1.00 0.00 C ATOM 850 CG2 ILE A 54 12.924 1.516 -3.210 1.00 0.00 C ATOM 851 CD1 ILE A 54 13.653 -1.378 -4.058 1.00 0.00 C ATOM 0 H ILE A 54 9.565 0.261 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 54 10.740 -0.062 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 54 11.648 0.395 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 54 13.015 -0.906 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.809 -1.730 -3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.810 1.341 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.461 2.458 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.211 1.565 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 54 14.067 -2.340 -3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.221 -1.466 -5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.445 -0.630 -4.071 1.00 0.00 H new ATOM 863 N CYS A 55 10.567 2.225 -0.818 1.00 0.00 N ATOM 864 CA CYS A 55 10.427 3.560 -0.259 1.00 0.00 C ATOM 865 C CYS A 55 11.657 4.401 -0.582 1.00 0.00 C ATOM 866 O CYS A 55 12.688 3.855 -0.990 1.00 0.00 O ATOM 867 CB CYS A 55 10.196 3.501 1.264 1.00 0.00 C ATOM 868 SG CYS A 55 11.632 2.981 2.245 1.00 0.00 S ATOM 0 H CYS A 55 10.738 1.493 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 55 9.554 4.029 -0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 55 9.881 4.487 1.606 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.372 2.816 1.464 1.00 0.00 H new ATOM 873 N GLU A 56 11.554 5.712 -0.405 1.00 0.00 N ATOM 874 CA GLU A 56 12.669 6.610 -0.664 1.00 0.00 C ATOM 875 C GLU A 56 13.888 6.168 0.146 1.00 0.00 C ATOM 876 O GLU A 56 15.019 6.167 -0.348 1.00 0.00 O ATOM 877 CB GLU A 56 12.267 8.038 -0.289 1.00 0.00 C ATOM 878 CG GLU A 56 13.204 9.114 -0.811 1.00 0.00 C ATOM 879 CD GLU A 56 13.181 9.232 -2.320 1.00 0.00 C ATOM 880 OE1 GLU A 56 12.178 9.739 -2.862 1.00 0.00 O ATOM 881 OE2 GLU A 56 14.167 8.833 -2.971 1.00 0.00 O ATOM 0 H GLU A 56 10.706 6.177 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 56 12.927 6.580 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.264 8.231 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.216 8.114 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.929 10.073 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.220 8.894 -0.484 1.00 0.00 H new ATOM 888 N ASP A 57 13.629 5.749 1.382 1.00 0.00 N ATOM 889 CA ASP A 57 14.676 5.285 2.284 1.00 0.00 C ATOM 890 C ASP A 57 15.357 4.030 1.736 1.00 0.00 C ATOM 891 O ASP A 57 16.575 3.883 1.842 1.00 0.00 O ATOM 892 CB ASP A 57 14.089 5.014 3.673 1.00 0.00 C ATOM 893 CG ASP A 57 15.132 4.571 4.679 1.00 0.00 C ATOM 894 OD1 ASP A 57 15.893 5.429 5.172 1.00 0.00 O ATOM 895 OD2 ASP A 57 15.186 3.364 4.993 1.00 0.00 O ATOM 0 H ASP A 57 12.692 5.722 1.784 1.00 0.00 H new ATOM 0 HA ASP A 57 15.431 6.067 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.601 5.918 4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.320 4.246 3.593 1.00 0.00 H new ATOM 900 N CYS A 58 14.576 3.133 1.132 1.00 0.00 N ATOM 901 CA CYS A 58 15.147 1.931 0.529 1.00 0.00 C ATOM 902 C CYS A 58 15.975 2.280 -0.693 1.00 0.00 C ATOM 903 O CYS A 58 17.158 1.974 -0.730 1.00 0.00 O ATOM 904 CB CYS A 58 14.071 0.913 0.136 1.00 0.00 C ATOM 905 SG CYS A 58 13.543 -0.169 1.470 1.00 0.00 S ATOM 0 H CYS A 58 13.563 3.214 1.048 1.00 0.00 H new ATOM 0 HA CYS A 58 15.786 1.477 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 58 13.202 1.451 -0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 58 14.450 0.301 -0.682 1.00 0.00 H new ATOM 910 N GLN A 59 15.362 2.973 -1.654 1.00 0.00 N ATOM 911 CA GLN A 59 16.023 3.347 -2.905 1.00 0.00 C ATOM 912 C GLN A 59 17.386 3.984 -2.650 1.00 0.00 C ATOM 913 O GLN A 59 18.308 3.864 -3.457 1.00 0.00 O ATOM 914 CB GLN A 59 15.174 4.322 -3.711 1.00 0.00 C ATOM 915 CG GLN A 59 15.679 4.481 -5.133 1.00 0.00 C ATOM 916 CD GLN A 59 15.362 5.829 -5.717 1.00 0.00 C ATOM 917 OE1 GLN A 59 14.325 6.026 -6.343 1.00 0.00 O ATOM 918 NE2 GLN A 59 16.262 6.765 -5.514 1.00 0.00 N ATOM 0 H GLN A 59 14.395 3.290 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 59 16.156 2.425 -3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.142 3.972 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 59 15.172 5.294 -3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 59 16.758 4.328 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.237 3.706 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.109 6.552 -4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.114 7.704 -5.884 1.00 0.00 H new ATOM 927 N GLU A 60 17.498 4.679 -1.537 1.00 0.00 N ATOM 928 CA GLU A 60 18.735 5.327 -1.170 1.00 0.00 C ATOM 929 C GLU A 60 19.822 4.305 -0.894 1.00 0.00 C ATOM 930 O GLU A 60 20.897 4.332 -1.496 1.00 0.00 O ATOM 931 CB GLU A 60 18.496 6.157 0.077 1.00 0.00 C ATOM 932 CG GLU A 60 19.535 7.217 0.330 1.00 0.00 C ATOM 933 CD GLU A 60 19.538 8.310 -0.719 1.00 0.00 C ATOM 934 OE1 GLU A 60 18.938 9.377 -0.471 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.149 8.116 -1.791 1.00 0.00 O ATOM 0 H GLU A 60 16.739 4.809 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 60 19.063 5.960 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.519 6.635 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.457 5.491 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.360 7.662 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.520 6.751 0.363 1.00 0.00 H new ATOM 942 N ALA A 61 19.523 3.408 0.027 1.00 0.00 N ATOM 943 CA ALA A 61 20.390 2.288 0.330 1.00 0.00 C ATOM 944 C ALA A 61 20.607 1.462 -0.927 1.00 0.00 C ATOM 945 O ALA A 61 21.666 0.871 -1.136 1.00 0.00 O ATOM 946 CB ALA A 61 19.765 1.450 1.432 1.00 0.00 C ATOM 0 H ALA A 61 18.670 3.437 0.586 1.00 0.00 H new ATOM 0 HA ALA A 61 21.359 2.648 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 61 20.416 0.607 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.635 2.062 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.795 1.080 1.102 1.00 0.00 H new ATOM 952 N LEU A 62 19.579 1.469 -1.759 1.00 0.00 N ATOM 953 CA LEU A 62 19.531 0.686 -2.990 1.00 0.00 C ATOM 954 C LEU A 62 20.617 1.096 -3.968 1.00 0.00 C ATOM 955 O LEU A 62 21.477 0.297 -4.335 1.00 0.00 O ATOM 956 CB LEU A 62 18.189 0.942 -3.653 1.00 0.00 C ATOM 957 CG LEU A 62 17.075 -0.075 -3.404 1.00 0.00 C ATOM 958 CD1 LEU A 62 17.164 -1.226 -4.383 1.00 0.00 C ATOM 959 CD2 LEU A 62 17.097 -0.607 -1.979 1.00 0.00 C ATOM 0 H LEU A 62 18.740 2.026 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 62 19.677 -0.364 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.833 1.919 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.352 1.006 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 62 16.131 0.449 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.361 -1.935 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.070 -0.846 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.126 -1.726 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.289 -1.326 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.052 -1.096 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.966 0.219 -1.280 1.00 0.00 H new ATOM 971 N ASP A 63 20.550 2.350 -4.393 1.00 0.00 N ATOM 972 CA ASP A 63 21.520 2.892 -5.343 1.00 0.00 C ATOM 973 C ASP A 63 22.933 2.798 -4.784 1.00 0.00 C ATOM 974 O ASP A 63 23.898 2.616 -5.528 1.00 0.00 O ATOM 975 CB ASP A 63 21.193 4.346 -5.695 1.00 0.00 C ATOM 976 CG ASP A 63 22.147 4.919 -6.729 1.00 0.00 C ATOM 977 OD1 ASP A 63 22.038 4.551 -7.919 1.00 0.00 O ATOM 978 OD2 ASP A 63 23.005 5.749 -6.359 1.00 0.00 O ATOM 0 H ASP A 63 19.835 3.014 -4.097 1.00 0.00 H new ATOM 0 HA ASP A 63 21.461 2.294 -6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.173 4.405 -6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.233 4.954 -4.791 1.00 0.00 H new ATOM 983 N ARG A 64 23.042 2.908 -3.468 1.00 0.00 N ATOM 984 CA ARG A 64 24.323 2.790 -2.798 1.00 0.00 C ATOM 985 C ARG A 64 24.857 1.365 -2.916 1.00 0.00 C ATOM 986 O ARG A 64 25.836 1.116 -3.619 1.00 0.00 O ATOM 987 CB ARG A 64 24.193 3.185 -1.324 1.00 0.00 C ATOM 988 CG ARG A 64 25.514 3.163 -0.573 1.00 0.00 C ATOM 989 CD ARG A 64 25.334 3.527 0.891 1.00 0.00 C ATOM 990 NE ARG A 64 24.527 2.543 1.617 1.00 0.00 N ATOM 991 CZ ARG A 64 23.706 2.852 2.619 1.00 0.00 C ATOM 992 NH1 ARG A 64 23.590 4.108 3.020 1.00 0.00 N ATOM 993 NH2 ARG A 64 23.009 1.901 3.229 1.00 0.00 N ATOM 0 H ARG A 64 22.254 3.079 -2.844 1.00 0.00 H new ATOM 0 HA ARG A 64 25.028 3.467 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.764 4.185 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.494 2.507 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.960 2.171 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 64 26.209 3.861 -1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.312 3.611 1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 64 24.860 4.506 0.963 1.00 0.00 H new ATOM 0 HE ARG A 64 24.598 1.564 1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 64 24.130 4.842 2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 64 22.961 4.342 3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 64 23.101 0.930 2.931 1.00 0.00 H new ATOM 0 HH22 ARG A 64 22.381 2.141 3.996 1.00 0.00 H new ATOM 1007 N ASN A 65 24.186 0.426 -2.261 1.00 0.00 N ATOM 1008 CA ASN A 65 24.649 -0.957 -2.212 1.00 0.00 C ATOM 1009 C ASN A 65 23.485 -1.914 -2.439 1.00 0.00 C ATOM 1010 O ASN A 65 22.474 -1.852 -1.738 1.00 0.00 O ATOM 1011 CB ASN A 65 25.303 -1.255 -0.856 1.00 0.00 C ATOM 1012 CG ASN A 65 26.619 -0.523 -0.653 1.00 0.00 C ATOM 1013 OD1 ASN A 65 27.369 -0.285 -1.599 1.00 0.00 O ATOM 1014 ND2 ASN A 65 26.909 -0.157 0.588 1.00 0.00 N ATOM 0 H ASN A 65 23.317 0.597 -1.755 1.00 0.00 H new ATOM 0 HA ASN A 65 25.387 -1.098 -3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 65 24.614 -0.978 -0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 65 25.474 -2.328 -0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 65 27.778 0.339 0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 65 26.263 -0.372 1.347 1.00 0.00 H new ATOM 1021 N PRO A 66 23.619 -2.816 -3.432 1.00 0.00 N ATOM 1022 CA PRO A 66 22.589 -3.812 -3.749 1.00 0.00 C ATOM 1023 C PRO A 66 22.238 -4.669 -2.543 1.00 0.00 C ATOM 1024 O PRO A 66 21.075 -4.993 -2.310 1.00 0.00 O ATOM 1025 CB PRO A 66 23.236 -4.677 -4.834 1.00 0.00 C ATOM 1026 CG PRO A 66 24.297 -3.820 -5.433 1.00 0.00 C ATOM 1027 CD PRO A 66 24.786 -2.929 -4.327 1.00 0.00 C ATOM 0 HA PRO A 66 21.657 -3.343 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 66 23.658 -5.589 -4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 66 22.505 -4.981 -5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 66 25.109 -4.427 -5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 66 23.902 -3.232 -6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 66 25.645 -3.361 -3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 66 25.098 -1.955 -4.705 1.00 0.00 H new ATOM 1035 N HIS A 67 23.259 -5.042 -1.785 1.00 0.00 N ATOM 1036 CA HIS A 67 23.063 -5.794 -0.557 1.00 0.00 C ATOM 1037 C HIS A 67 23.370 -4.901 0.635 1.00 0.00 C ATOM 1038 O HIS A 67 24.304 -5.151 1.397 1.00 0.00 O ATOM 1039 CB HIS A 67 23.947 -7.049 -0.520 1.00 0.00 C ATOM 1040 CG HIS A 67 23.562 -8.105 -1.513 1.00 0.00 C ATOM 1041 ND1 HIS A 67 24.136 -9.357 -1.537 1.00 0.00 N ATOM 1042 CD2 HIS A 67 22.658 -8.089 -2.519 1.00 0.00 C ATOM 1043 CE1 HIS A 67 23.602 -10.062 -2.517 1.00 0.00 C ATOM 1044 NE2 HIS A 67 22.701 -9.319 -3.126 1.00 0.00 N ATOM 0 H HIS A 67 24.234 -4.835 -2.001 1.00 0.00 H new ATOM 0 HA HIS A 67 22.024 -6.121 -0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 67 24.981 -6.756 -0.701 1.00 0.00 H new ATOM 0 HB3 HIS A 67 23.908 -7.477 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 67 22.021 -7.262 -2.794 1.00 0.00 H new ATOM 0 HE1 HIS A 67 23.861 -11.078 -2.776 1.00 0.00 H new ATOM 0 HE2 HIS A 67 22.129 -9.610 -3.919 1.00 0.00 H new ATOM 1053 N TYR A 68 22.576 -3.850 0.778 1.00 0.00 N ATOM 1054 CA TYR A 68 22.768 -2.868 1.840 1.00 0.00 C ATOM 1055 C TYR A 68 22.447 -3.463 3.208 1.00 0.00 C ATOM 1056 O TYR A 68 22.809 -2.898 4.241 1.00 0.00 O ATOM 1057 CB TYR A 68 21.880 -1.642 1.592 1.00 0.00 C ATOM 1058 CG TYR A 68 20.396 -1.946 1.629 1.00 0.00 C ATOM 1059 CD1 TYR A 68 19.676 -1.851 2.814 1.00 0.00 C ATOM 1060 CD2 TYR A 68 19.716 -2.329 0.480 1.00 0.00 C ATOM 1061 CE1 TYR A 68 18.325 -2.131 2.854 1.00 0.00 C ATOM 1062 CE2 TYR A 68 18.363 -2.610 0.513 1.00 0.00 C ATOM 1063 CZ TYR A 68 17.673 -2.509 1.702 1.00 0.00 C ATOM 1064 OH TYR A 68 16.324 -2.786 1.737 1.00 0.00 O ATOM 0 H TYR A 68 21.784 -3.653 0.166 1.00 0.00 H new ATOM 0 HA TYR A 68 23.816 -2.568 1.832 1.00 0.00 H new ATOM 0 HB2 TYR A 68 22.105 -0.884 2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 68 22.130 -1.214 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 68 20.183 -1.553 3.720 1.00 0.00 H new ATOM 0 HD2 TYR A 68 20.253 -2.408 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 68 17.782 -2.054 3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 68 17.849 -2.907 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 68 15.817 -1.966 1.561 1.00 0.00 H new ATOM 1074 N HIS A 69 21.769 -4.601 3.210 1.00 0.00 N ATOM 1075 CA HIS A 69 21.338 -5.227 4.445 1.00 0.00 C ATOM 1076 C HIS A 69 21.805 -6.680 4.479 1.00 0.00 C ATOM 1077 O HIS A 69 21.016 -7.598 4.705 1.00 0.00 O ATOM 1078 CB HIS A 69 19.811 -5.137 4.558 1.00 0.00 C ATOM 1079 CG HIS A 69 19.267 -5.461 5.916 1.00 0.00 C ATOM 1080 ND1 HIS A 69 19.279 -4.566 6.962 1.00 0.00 N ATOM 1081 CD2 HIS A 69 18.677 -6.583 6.390 1.00 0.00 C ATOM 1082 CE1 HIS A 69 18.722 -5.122 8.020 1.00 0.00 C ATOM 1083 NE2 HIS A 69 18.348 -6.345 7.699 1.00 0.00 N ATOM 0 H HIS A 69 21.506 -5.109 2.366 1.00 0.00 H new ATOM 0 HA HIS A 69 21.780 -4.708 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 69 19.498 -4.129 4.287 1.00 0.00 H new ATOM 0 HB3 HIS A 69 19.365 -5.816 3.831 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.499 -7.495 5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 69 18.594 -4.655 8.985 1.00 0.00 H new ATOM 0 HE2 HIS A 69 17.888 -7.007 8.324 1.00 0.00 H new ATOM 1092 N GLU A 70 23.098 -6.886 4.256 1.00 0.00 N ATOM 1093 CA GLU A 70 23.658 -8.235 4.217 1.00 0.00 C ATOM 1094 C GLU A 70 23.982 -8.746 5.621 1.00 0.00 C ATOM 1095 O GLU A 70 24.981 -9.437 5.828 1.00 0.00 O ATOM 1096 CB GLU A 70 24.908 -8.286 3.331 1.00 0.00 C ATOM 1097 CG GLU A 70 25.982 -7.281 3.711 1.00 0.00 C ATOM 1098 CD GLU A 70 27.284 -7.525 2.979 1.00 0.00 C ATOM 1099 OE1 GLU A 70 27.310 -7.396 1.736 1.00 0.00 O ATOM 1100 OE2 GLU A 70 28.295 -7.837 3.640 1.00 0.00 O ATOM 0 H GLU A 70 23.777 -6.141 4.100 1.00 0.00 H new ATOM 0 HA GLU A 70 22.900 -8.889 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 70 25.332 -9.289 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 70 24.613 -8.112 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 70 25.628 -6.274 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 70 26.158 -7.330 4.786 1.00 0.00 H new ATOM 1107 N TYR A 71 23.129 -8.404 6.578 1.00 0.00 N ATOM 1108 CA TYR A 71 23.271 -8.884 7.945 1.00 0.00 C ATOM 1109 C TYR A 71 23.035 -10.388 7.984 1.00 0.00 C ATOM 1110 O TYR A 71 23.807 -11.140 8.576 1.00 0.00 O ATOM 1111 CB TYR A 71 22.274 -8.163 8.857 1.00 0.00 C ATOM 1112 CG TYR A 71 22.369 -8.555 10.314 1.00 0.00 C ATOM 1113 CD1 TYR A 71 21.447 -9.425 10.883 1.00 0.00 C ATOM 1114 CD2 TYR A 71 23.376 -8.047 11.124 1.00 0.00 C ATOM 1115 CE1 TYR A 71 21.527 -9.774 12.218 1.00 0.00 C ATOM 1116 CE2 TYR A 71 23.464 -8.394 12.455 1.00 0.00 C ATOM 1117 CZ TYR A 71 22.538 -9.257 12.999 1.00 0.00 C ATOM 1118 OH TYR A 71 22.620 -9.597 14.330 1.00 0.00 O ATOM 0 H TYR A 71 22.327 -7.792 6.430 1.00 0.00 H new ATOM 0 HA TYR A 71 24.280 -8.675 8.300 1.00 0.00 H new ATOM 0 HB2 TYR A 71 22.432 -7.088 8.771 1.00 0.00 H new ATOM 0 HB3 TYR A 71 21.263 -8.366 8.503 1.00 0.00 H new ATOM 0 HD1 TYR A 71 20.656 -9.835 10.273 1.00 0.00 H new ATOM 0 HD2 TYR A 71 24.103 -7.368 10.704 1.00 0.00 H new ATOM 0 HE1 TYR A 71 20.801 -10.449 12.647 1.00 0.00 H new ATOM 0 HE2 TYR A 71 24.256 -7.991 13.069 1.00 0.00 H new ATOM 0 HH TYR A 71 23.390 -9.147 14.736 1.00 0.00 H new ATOM 1128 N HIS A 72 21.962 -10.811 7.336 1.00 0.00 N ATOM 1129 CA HIS A 72 21.634 -12.221 7.214 1.00 0.00 C ATOM 1130 C HIS A 72 21.086 -12.491 5.820 1.00 0.00 C ATOM 1131 O HIS A 72 19.886 -12.373 5.579 1.00 0.00 O ATOM 1132 CB HIS A 72 20.615 -12.629 8.288 1.00 0.00 C ATOM 1133 CG HIS A 72 20.245 -14.084 8.267 1.00 0.00 C ATOM 1134 ND1 HIS A 72 20.901 -15.038 9.014 1.00 0.00 N ATOM 1135 CD2 HIS A 72 19.272 -14.744 7.593 1.00 0.00 C ATOM 1136 CE1 HIS A 72 20.348 -16.218 8.799 1.00 0.00 C ATOM 1137 NE2 HIS A 72 19.358 -16.067 7.942 1.00 0.00 N ATOM 0 H HIS A 72 21.295 -10.188 6.881 1.00 0.00 H new ATOM 0 HA HIS A 72 22.535 -12.816 7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 72 21.021 -12.383 9.269 1.00 0.00 H new ATOM 0 HB3 HIS A 72 19.711 -12.034 8.159 1.00 0.00 H new ATOM 0 HD2 HIS A 72 18.560 -14.308 6.908 1.00 0.00 H new ATOM 0 HE1 HIS A 72 20.655 -17.150 9.250 1.00 0.00 H new ATOM 0 HE2 HIS A 72 18.755 -16.813 7.595 1.00 0.00 H new ATOM 1146 N THR A 73 21.974 -12.828 4.903 1.00 0.00 N ATOM 1147 CA THR A 73 21.590 -13.091 3.531 1.00 0.00 C ATOM 1148 C THR A 73 22.166 -14.432 3.071 1.00 0.00 C ATOM 1149 O THR A 73 21.417 -15.431 3.091 1.00 0.00 O ATOM 1150 CB THR A 73 22.019 -11.930 2.595 1.00 0.00 C ATOM 1151 OG1 THR A 73 21.752 -12.255 1.224 1.00 0.00 O ATOM 1152 CG2 THR A 73 23.492 -11.578 2.767 1.00 0.00 C ATOM 1153 OXT THR A 73 23.369 -14.503 2.740 1.00 0.00 O ATOM 0 H THR A 73 22.972 -12.926 5.087 1.00 0.00 H new ATOM 0 HA THR A 73 20.503 -13.154 3.480 1.00 0.00 H new ATOM 0 HB THR A 73 21.428 -11.058 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 73 22.028 -11.509 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 73 23.752 -10.761 2.094 1.00 0.00 H new ATOM 0 HG22 THR A 73 23.675 -11.272 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 73 24.104 -12.449 2.533 1.00 0.00 H new TER 1161 THR A 73 HETATM 1162 ZN ZN A 101 11.654 0.690 2.459 1.00 0.00 ZN