USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 407 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 19 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.9!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 THR OG1 : rot -170:sc= -0.688 USER MOD Set 2.2: A 37 GLN : amide:sc= -4.62! K(o=-5.3!,f=1.6) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 150:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.75! K(o=-7.7!,f=-2.8) USER MOD Single : A 53 ASN : amide:sc= -3.09! K(o=-3.1!,f=-1.5) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.125 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 18.111 1.796 -1.753 1.00 0.00 N ATOM 2 CA CYS A 18 16.879 1.112 -2.141 1.00 0.00 C ATOM 3 C CYS A 18 17.066 -0.353 -1.855 1.00 0.00 C ATOM 4 O CYS A 18 18.088 -0.950 -2.228 1.00 0.00 O ATOM 5 CB CYS A 18 16.509 1.255 -3.633 1.00 0.00 C ATOM 6 SG CYS A 18 16.619 2.946 -4.309 1.00 0.00 S ATOM 0 HA CYS A 18 16.070 1.571 -1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 18 17.163 0.606 -4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.491 0.891 -3.774 1.00 0.00 H new ATOM 11 N GLN A 19 16.090 -0.924 -1.189 1.00 0.00 N ATOM 12 CA GLN A 19 16.108 -2.326 -0.861 1.00 0.00 C ATOM 13 C GLN A 19 14.783 -2.941 -1.291 1.00 0.00 C ATOM 14 O GLN A 19 13.726 -2.700 -0.699 1.00 0.00 O ATOM 15 CB GLN A 19 16.453 -2.517 0.636 1.00 0.00 C ATOM 16 CG GLN A 19 15.842 -1.481 1.599 1.00 0.00 C ATOM 17 CD GLN A 19 14.637 -1.987 2.376 1.00 0.00 C ATOM 18 OE1 GLN A 19 13.816 -2.755 1.874 1.00 0.00 O ATOM 19 NE2 GLN A 19 14.531 -1.556 3.624 1.00 0.00 N ATOM 0 H GLN A 19 15.262 -0.428 -0.860 1.00 0.00 H new ATOM 0 HA GLN A 19 16.891 -2.856 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.123 -3.510 0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.537 -2.493 0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.608 -1.162 2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.548 -0.600 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.231 -0.920 4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.749 -1.860 4.204 1.00 0.00 H new ATOM 28 N LEU A 20 14.882 -3.712 -2.371 1.00 0.00 N ATOM 29 CA LEU A 20 13.746 -4.374 -2.992 1.00 0.00 C ATOM 30 C LEU A 20 13.713 -5.879 -2.694 1.00 0.00 C ATOM 31 O LEU A 20 14.439 -6.681 -3.299 1.00 0.00 O ATOM 32 CB LEU A 20 13.770 -4.084 -4.523 1.00 0.00 C ATOM 33 CG LEU A 20 12.473 -4.314 -5.364 1.00 0.00 C ATOM 34 CD1 LEU A 20 12.357 -5.765 -5.815 1.00 0.00 C ATOM 35 CD2 LEU A 20 11.204 -3.887 -4.619 1.00 0.00 C ATOM 0 H LEU A 20 15.767 -3.895 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 20 12.828 -3.972 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.066 -3.043 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.558 -4.697 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 20 12.563 -3.678 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.445 -5.893 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.219 -6.025 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.324 -6.416 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.333 -4.069 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.112 -4.463 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.263 -2.825 -4.379 1.00 0.00 H new ATOM 47 N PHE A 21 12.872 -6.217 -1.723 1.00 0.00 N ATOM 48 CA PHE A 21 12.613 -7.596 -1.312 1.00 0.00 C ATOM 49 C PHE A 21 11.091 -7.822 -1.373 1.00 0.00 C ATOM 50 O PHE A 21 10.339 -7.378 -0.497 1.00 0.00 O ATOM 51 CB PHE A 21 13.240 -7.918 0.081 1.00 0.00 C ATOM 52 CG PHE A 21 12.638 -7.215 1.285 1.00 0.00 C ATOM 53 CD1 PHE A 21 12.972 -5.903 1.590 1.00 0.00 C ATOM 54 CD2 PHE A 21 11.745 -7.881 2.113 1.00 0.00 C ATOM 55 CE1 PHE A 21 12.425 -5.274 2.693 1.00 0.00 C ATOM 56 CE2 PHE A 21 11.196 -7.255 3.215 1.00 0.00 C ATOM 57 CZ PHE A 21 11.537 -5.949 3.506 1.00 0.00 C ATOM 0 H PHE A 21 12.341 -5.530 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 21 13.099 -8.297 -1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.168 -8.993 0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.301 -7.672 0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.666 -5.368 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.476 -8.903 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.693 -4.252 2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.501 -7.786 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.110 -5.457 4.367 1.00 0.00 H new ATOM 67 N CYS A 22 10.654 -8.466 -2.456 1.00 0.00 N ATOM 68 CA CYS A 22 9.229 -8.704 -2.703 1.00 0.00 C ATOM 69 C CYS A 22 8.733 -10.119 -2.313 1.00 0.00 C ATOM 70 O CYS A 22 8.968 -11.084 -3.055 1.00 0.00 O ATOM 71 CB CYS A 22 8.914 -8.428 -4.177 1.00 0.00 C ATOM 72 SG CYS A 22 9.310 -6.735 -4.712 1.00 0.00 S ATOM 0 H CYS A 22 11.270 -8.835 -3.181 1.00 0.00 H new ATOM 0 HA CYS A 22 8.691 -8.016 -2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.470 -9.133 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.855 -8.616 -4.353 1.00 0.00 H new ATOM 77 N PRO A 23 8.064 -10.277 -1.118 1.00 0.00 N ATOM 78 CA PRO A 23 7.466 -11.565 -0.697 1.00 0.00 C ATOM 79 C PRO A 23 6.044 -11.733 -1.279 1.00 0.00 C ATOM 80 O PRO A 23 5.461 -10.754 -1.760 1.00 0.00 O ATOM 81 CB PRO A 23 7.405 -11.458 0.844 1.00 0.00 C ATOM 82 CG PRO A 23 7.960 -10.108 1.200 1.00 0.00 C ATOM 83 CD PRO A 23 7.896 -9.267 -0.046 1.00 0.00 C ATOM 0 HA PRO A 23 8.041 -12.424 -1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.380 -11.562 1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.987 -12.252 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.382 -9.652 2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.987 -10.194 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.947 -8.738 -0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.684 -8.514 -0.069 1.00 0.00 H new ATOM 91 N MET A 24 5.491 -12.957 -1.237 1.00 0.00 N ATOM 92 CA MET A 24 4.142 -13.200 -1.773 1.00 0.00 C ATOM 93 C MET A 24 3.097 -13.279 -0.648 1.00 0.00 C ATOM 94 O MET A 24 2.855 -14.346 -0.066 1.00 0.00 O ATOM 95 CB MET A 24 4.124 -14.476 -2.631 1.00 0.00 C ATOM 96 CG MET A 24 4.719 -14.295 -4.025 1.00 0.00 C ATOM 97 SD MET A 24 4.714 -15.817 -4.997 1.00 0.00 S ATOM 98 CE MET A 24 6.253 -16.579 -4.476 1.00 0.00 C ATOM 0 H MET A 24 5.948 -13.780 -0.845 1.00 0.00 H new ATOM 0 HA MET A 24 3.876 -12.355 -2.408 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.675 -15.259 -2.111 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.095 -14.822 -2.728 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.156 -13.528 -4.558 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.743 -13.933 -3.933 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.383 -17.528 -4.995 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.086 -15.918 -4.715 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.226 -16.754 -3.401 1.00 0.00 H new ATOM 108 N ILE A 25 2.510 -12.109 -0.328 1.00 0.00 N ATOM 109 CA ILE A 25 1.463 -11.970 0.709 1.00 0.00 C ATOM 110 C ILE A 25 0.553 -10.796 0.328 1.00 0.00 C ATOM 111 O ILE A 25 0.986 -9.889 -0.390 1.00 0.00 O ATOM 112 CB ILE A 25 2.008 -11.710 2.170 1.00 0.00 C ATOM 113 CG1 ILE A 25 3.383 -12.354 2.435 1.00 0.00 C ATOM 114 CG2 ILE A 25 1.003 -12.227 3.207 1.00 0.00 C ATOM 115 CD1 ILE A 25 4.389 -11.411 3.069 1.00 0.00 C ATOM 0 H ILE A 25 2.749 -11.228 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 25 0.939 -12.925 0.737 1.00 0.00 H new ATOM 0 HB ILE A 25 2.135 -10.631 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.250 -13.219 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.789 -12.723 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.388 -12.043 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.052 -11.708 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.853 -13.298 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.332 -11.936 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.553 -10.558 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.006 -11.061 4.028 1.00 0.00 H new ATOM 127 N TYR A 26 -0.712 -10.832 0.768 1.00 0.00 N ATOM 128 CA TYR A 26 -1.632 -9.724 0.495 1.00 0.00 C ATOM 129 C TYR A 26 -1.947 -8.971 1.800 1.00 0.00 C ATOM 130 O TYR A 26 -2.775 -9.394 2.616 1.00 0.00 O ATOM 131 CB TYR A 26 -2.912 -10.206 -0.237 1.00 0.00 C ATOM 132 CG TYR A 26 -3.656 -11.363 0.415 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.342 -12.679 0.110 1.00 0.00 C ATOM 134 CD2 TYR A 26 -4.675 -11.125 1.324 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.024 -13.729 0.696 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.364 -12.167 1.915 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.033 -13.468 1.597 1.00 0.00 C ATOM 138 OH TYR A 26 -5.716 -14.510 2.182 1.00 0.00 O ATOM 0 H TYR A 26 -1.114 -11.601 1.304 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.145 -9.025 -0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.597 -9.362 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.638 -10.500 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.552 -12.887 -0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.935 -10.107 1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.767 -14.748 0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.156 -11.964 2.621 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.395 -14.154 2.793 1.00 0.00 H new ATOM 148 N ALA A 27 -1.221 -7.866 1.989 1.00 0.00 N ATOM 149 CA ALA A 27 -1.361 -7.002 3.166 1.00 0.00 C ATOM 150 C ALA A 27 -1.431 -5.515 2.763 1.00 0.00 C ATOM 151 O ALA A 27 -0.608 -5.082 1.950 1.00 0.00 O ATOM 152 CB ALA A 27 -0.203 -7.225 4.136 1.00 0.00 C ATOM 0 H ALA A 27 -0.516 -7.543 1.327 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.295 -7.267 3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.324 -6.575 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.195 -8.266 4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.739 -6.994 3.638 1.00 0.00 H new ATOM 158 N PRO A 28 -2.410 -4.697 3.288 1.00 0.00 N ATOM 159 CA PRO A 28 -2.489 -3.258 2.963 1.00 0.00 C ATOM 160 C PRO A 28 -1.571 -2.396 3.856 1.00 0.00 C ATOM 161 O PRO A 28 -1.560 -2.563 5.081 1.00 0.00 O ATOM 162 CB PRO A 28 -3.969 -2.901 3.223 1.00 0.00 C ATOM 163 CG PRO A 28 -4.634 -4.161 3.707 1.00 0.00 C ATOM 164 CD PRO A 28 -3.538 -5.085 4.167 1.00 0.00 C ATOM 0 HA PRO A 28 -2.161 -3.063 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.052 -2.108 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.446 -2.536 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.324 -3.945 4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.217 -4.621 2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.300 -4.941 5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.810 -6.133 4.041 1.00 0.00 H new ATOM 172 N ILE A 29 -0.797 -1.496 3.229 1.00 0.00 N ATOM 173 CA ILE A 29 0.113 -0.602 3.974 1.00 0.00 C ATOM 174 C ILE A 29 -0.198 0.873 3.677 1.00 0.00 C ATOM 175 O ILE A 29 -0.412 1.247 2.520 1.00 0.00 O ATOM 176 CB ILE A 29 1.620 -0.910 3.639 1.00 0.00 C ATOM 177 CG1 ILE A 29 1.980 -2.367 3.969 1.00 0.00 C ATOM 178 CG2 ILE A 29 2.586 0.027 4.376 1.00 0.00 C ATOM 179 CD1 ILE A 29 1.796 -3.320 2.811 1.00 0.00 C ATOM 0 H ILE A 29 -0.780 -1.366 2.217 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.049 -0.788 5.036 1.00 0.00 H new ATOM 0 HB ILE A 29 1.730 -0.743 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.018 -2.409 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.365 -2.703 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.612 -0.227 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.382 1.059 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.451 -0.084 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.070 -4.328 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.753 -3.309 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.431 -3.011 1.981 1.00 0.00 H new ATOM 191 N CYS A 30 -0.214 1.695 4.749 1.00 0.00 N ATOM 192 CA CYS A 30 -0.487 3.136 4.626 1.00 0.00 C ATOM 193 C CYS A 30 0.796 3.955 4.815 1.00 0.00 C ATOM 194 O CYS A 30 1.598 3.666 5.709 1.00 0.00 O ATOM 195 CB CYS A 30 -1.546 3.561 5.646 1.00 0.00 C ATOM 196 SG CYS A 30 -2.807 4.692 4.977 1.00 0.00 S ATOM 0 H CYS A 30 -0.041 1.383 5.704 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.866 3.328 3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.041 2.670 6.034 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.051 4.043 6.489 1.00 0.00 H new ATOM 201 N ALA A 31 0.969 4.980 3.956 1.00 0.00 N ATOM 202 CA ALA A 31 2.143 5.864 3.970 1.00 0.00 C ATOM 203 C ALA A 31 1.747 7.267 3.516 1.00 0.00 C ATOM 204 O ALA A 31 1.008 7.417 2.537 1.00 0.00 O ATOM 205 CB ALA A 31 3.242 5.312 3.061 1.00 0.00 C ATOM 0 H ALA A 31 0.292 5.216 3.230 1.00 0.00 H new ATOM 0 HA ALA A 31 2.527 5.913 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.103 5.980 3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.540 4.323 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.867 5.239 2.040 1.00 0.00 H new ATOM 211 N THR A 32 2.260 8.288 4.216 1.00 0.00 N ATOM 212 CA THR A 32 1.941 9.686 3.897 1.00 0.00 C ATOM 213 C THR A 32 3.192 10.509 3.585 1.00 0.00 C ATOM 214 O THR A 32 4.233 10.349 4.232 1.00 0.00 O ATOM 215 CB THR A 32 1.134 10.396 5.036 1.00 0.00 C ATOM 216 OG1 THR A 32 0.737 11.706 4.606 1.00 0.00 O ATOM 217 CG2 THR A 32 1.919 10.533 6.347 1.00 0.00 C ATOM 0 H THR A 32 2.896 8.172 5.005 1.00 0.00 H new ATOM 0 HA THR A 32 1.315 9.638 3.006 1.00 0.00 H new ATOM 0 HB THR A 32 0.269 9.763 5.235 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.374 12.204 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.300 11.034 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.195 9.543 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.821 11.120 6.172 1.00 0.00 H new ATOM 225 N ASP A 33 3.061 11.373 2.585 1.00 0.00 N ATOM 226 CA ASP A 33 4.138 12.297 2.201 1.00 0.00 C ATOM 227 C ASP A 33 3.694 13.757 2.473 1.00 0.00 C ATOM 228 O ASP A 33 4.061 14.686 1.738 1.00 0.00 O ATOM 229 CB ASP A 33 4.508 12.085 0.720 1.00 0.00 C ATOM 230 CG ASP A 33 5.894 12.611 0.375 1.00 0.00 C ATOM 231 OD1 ASP A 33 6.874 11.855 0.538 1.00 0.00 O ATOM 232 OD2 ASP A 33 5.995 13.779 -0.055 1.00 0.00 O ATOM 0 H ASP A 33 2.217 11.458 2.019 1.00 0.00 H new ATOM 0 HA ASP A 33 5.027 12.096 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.460 11.021 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.769 12.582 0.091 1.00 0.00 H new ATOM 237 N GLY A 34 2.919 13.945 3.567 1.00 0.00 N ATOM 238 CA GLY A 34 2.383 15.270 3.927 1.00 0.00 C ATOM 239 C GLY A 34 0.991 15.469 3.337 1.00 0.00 C ATOM 240 O GLY A 34 0.070 15.956 4.000 1.00 0.00 O ATOM 0 H GLY A 34 2.655 13.198 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.341 15.368 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.052 16.049 3.563 1.00 0.00 H new ATOM 244 N VAL A 35 0.888 15.069 2.065 1.00 0.00 N ATOM 245 CA VAL A 35 -0.325 15.074 1.251 1.00 0.00 C ATOM 246 C VAL A 35 -1.206 13.870 1.631 1.00 0.00 C ATOM 247 O VAL A 35 -0.742 13.003 2.386 1.00 0.00 O ATOM 248 CB VAL A 35 0.020 15.013 -0.269 1.00 0.00 C ATOM 249 CG1 VAL A 35 0.424 16.385 -0.792 1.00 0.00 C ATOM 250 CG2 VAL A 35 1.114 13.977 -0.569 1.00 0.00 C ATOM 0 H VAL A 35 1.694 14.714 1.551 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.864 16.002 1.443 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.884 14.696 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.659 16.315 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.398 17.086 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.301 16.738 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.323 13.968 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.021 14.238 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.775 12.989 -0.257 1.00 0.00 H new ATOM 260 N SER A 36 -2.466 13.819 1.146 1.00 0.00 N ATOM 261 CA SER A 36 -3.365 12.691 1.458 1.00 0.00 C ATOM 262 C SER A 36 -2.660 11.376 1.095 1.00 0.00 C ATOM 263 O SER A 36 -2.126 11.222 -0.009 1.00 0.00 O ATOM 264 CB SER A 36 -4.685 12.822 0.690 1.00 0.00 C ATOM 265 OG SER A 36 -5.364 14.016 1.042 1.00 0.00 O ATOM 0 H SER A 36 -2.877 14.535 0.546 1.00 0.00 H new ATOM 0 HA SER A 36 -3.597 12.698 2.523 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.488 12.815 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.320 11.962 0.903 1.00 0.00 H new ATOM 0 HG SER A 36 -6.202 14.077 0.537 1.00 0.00 H new ATOM 271 N GLN A 37 -2.673 10.447 2.057 1.00 0.00 N ATOM 272 CA GLN A 37 -1.950 9.171 1.967 1.00 0.00 C ATOM 273 C GLN A 37 -2.641 8.126 1.100 1.00 0.00 C ATOM 274 O GLN A 37 -3.844 8.202 0.826 1.00 0.00 O ATOM 275 CB GLN A 37 -1.688 8.596 3.374 1.00 0.00 C ATOM 276 CG GLN A 37 -2.753 8.904 4.420 1.00 0.00 C ATOM 277 CD GLN A 37 -2.466 10.158 5.244 1.00 0.00 C ATOM 278 OE1 GLN A 37 -2.764 10.205 6.437 1.00 0.00 O ATOM 279 NE2 GLN A 37 -1.910 11.188 4.606 1.00 0.00 N ATOM 0 H GLN A 37 -3.190 10.560 2.929 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.006 9.403 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.587 7.514 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.732 8.979 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.715 9.021 3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.844 8.052 5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.678 11.109 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.717 12.055 5.108 1.00 0.00 H new ATOM 288 N ARG A 38 -1.827 7.151 0.690 1.00 0.00 N ATOM 289 CA ARG A 38 -2.259 6.054 -0.169 1.00 0.00 C ATOM 290 C ARG A 38 -1.909 4.696 0.426 1.00 0.00 C ATOM 291 O ARG A 38 -0.964 4.570 1.213 1.00 0.00 O ATOM 292 CB ARG A 38 -1.630 6.188 -1.555 1.00 0.00 C ATOM 293 CG ARG A 38 -2.618 6.649 -2.602 1.00 0.00 C ATOM 294 CD ARG A 38 -1.973 6.775 -3.972 1.00 0.00 C ATOM 295 NE ARG A 38 -2.932 7.215 -4.994 1.00 0.00 N ATOM 296 CZ ARG A 38 -2.654 7.356 -6.301 1.00 0.00 C ATOM 297 NH1 ARG A 38 -1.440 7.096 -6.786 1.00 0.00 N ATOM 298 NH2 ARG A 38 -3.607 7.762 -7.129 1.00 0.00 N ATOM 0 H ARG A 38 -0.842 7.103 0.949 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.344 6.114 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.802 6.895 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.212 5.227 -1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.447 5.943 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.036 7.611 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.148 7.485 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.549 5.814 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.881 7.430 -4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.697 6.782 -6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.254 7.211 -7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.541 7.964 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.406 7.872 -8.123 1.00 0.00 H new ATOM 312 N THR A 39 -2.690 3.689 0.026 1.00 0.00 N ATOM 313 CA THR A 39 -2.501 2.314 0.493 1.00 0.00 C ATOM 314 C THR A 39 -1.984 1.431 -0.645 1.00 0.00 C ATOM 315 O THR A 39 -2.563 1.406 -1.737 1.00 0.00 O ATOM 316 CB THR A 39 -3.812 1.705 1.065 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.670 2.738 1.571 1.00 0.00 O ATOM 318 CG2 THR A 39 -3.515 0.712 2.187 1.00 0.00 C ATOM 0 H THR A 39 -3.466 3.803 -0.626 1.00 0.00 H new ATOM 0 HA THR A 39 -1.766 2.348 1.297 1.00 0.00 H new ATOM 0 HB THR A 39 -4.311 1.182 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.605 2.461 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.451 0.302 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.895 -0.097 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.987 1.221 2.993 1.00 0.00 H new ATOM 326 N PHE A 40 -0.887 0.715 -0.366 1.00 0.00 N ATOM 327 CA PHE A 40 -0.261 -0.196 -1.331 1.00 0.00 C ATOM 328 C PHE A 40 -0.701 -1.639 -1.048 1.00 0.00 C ATOM 329 O PHE A 40 -1.129 -1.955 0.069 1.00 0.00 O ATOM 330 CB PHE A 40 1.280 -0.094 -1.258 1.00 0.00 C ATOM 331 CG PHE A 40 1.868 1.273 -1.582 1.00 0.00 C ATOM 332 CD1 PHE A 40 1.760 2.334 -0.688 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.548 1.486 -2.776 1.00 0.00 C ATOM 334 CE1 PHE A 40 2.311 3.569 -0.979 1.00 0.00 C ATOM 335 CE2 PHE A 40 3.102 2.724 -3.069 1.00 0.00 C ATOM 336 CZ PHE A 40 2.983 3.763 -2.168 1.00 0.00 C ATOM 0 H PHE A 40 -0.409 0.751 0.535 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.580 0.089 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.597 -0.377 -0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.707 -0.825 -1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.238 2.191 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.646 0.677 -3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.215 4.382 -0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.626 2.875 -4.001 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.415 4.727 -2.394 1.00 0.00 H new ATOM 346 N SER A 41 -0.584 -2.513 -2.064 1.00 0.00 N ATOM 347 CA SER A 41 -0.968 -3.932 -1.937 1.00 0.00 C ATOM 348 C SER A 41 0.056 -4.738 -1.115 1.00 0.00 C ATOM 349 O SER A 41 -0.270 -5.811 -0.597 1.00 0.00 O ATOM 350 CB SER A 41 -1.129 -4.554 -3.330 1.00 0.00 C ATOM 351 OG SER A 41 -1.820 -5.793 -3.266 1.00 0.00 O ATOM 0 H SER A 41 -0.226 -2.261 -2.985 1.00 0.00 H new ATOM 0 HA SER A 41 -1.918 -3.970 -1.403 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.672 -3.865 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.147 -4.706 -3.778 1.00 0.00 H new ATOM 0 HG SER A 41 -1.909 -6.165 -4.168 1.00 0.00 H new ATOM 357 N ASN A 42 1.293 -4.203 -1.010 1.00 0.00 N ATOM 358 CA ASN A 42 2.403 -4.836 -0.263 1.00 0.00 C ATOM 359 C ASN A 42 3.623 -3.876 -0.268 1.00 0.00 C ATOM 360 O ASN A 42 3.658 -2.979 -1.120 1.00 0.00 O ATOM 361 CB ASN A 42 2.792 -6.200 -0.905 1.00 0.00 C ATOM 362 CG ASN A 42 3.147 -7.280 0.104 1.00 0.00 C ATOM 363 OD1 ASN A 42 4.317 -7.621 0.279 1.00 0.00 O ATOM 364 ND2 ASN A 42 2.140 -7.830 0.768 1.00 0.00 N ATOM 0 H ASN A 42 1.550 -3.316 -1.443 1.00 0.00 H new ATOM 0 HA ASN A 42 2.085 -5.025 0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.963 -6.550 -1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.641 -6.047 -1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.321 -8.564 1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.184 -7.519 0.594 1.00 0.00 H new ATOM 371 N PRO A 43 4.655 -4.010 0.662 1.00 0.00 N ATOM 372 CA PRO A 43 5.846 -3.110 0.669 1.00 0.00 C ATOM 373 C PRO A 43 6.604 -3.067 -0.668 1.00 0.00 C ATOM 374 O PRO A 43 7.231 -2.055 -0.987 1.00 0.00 O ATOM 375 CB PRO A 43 6.743 -3.699 1.765 1.00 0.00 C ATOM 376 CG PRO A 43 5.799 -4.396 2.675 1.00 0.00 C ATOM 377 CD PRO A 43 4.757 -4.995 1.775 1.00 0.00 C ATOM 0 HA PRO A 43 5.544 -2.077 0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.478 -4.389 1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.297 -2.919 2.288 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.307 -5.165 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.353 -3.702 3.387 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.055 -5.979 1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.804 -5.119 2.290 1.00 0.00 H new ATOM 385 N CYS A 44 6.510 -4.165 -1.455 1.00 0.00 N ATOM 386 CA CYS A 44 7.163 -4.282 -2.779 1.00 0.00 C ATOM 387 C CYS A 44 6.759 -3.128 -3.715 1.00 0.00 C ATOM 388 O CYS A 44 7.613 -2.530 -4.377 1.00 0.00 O ATOM 389 CB CYS A 44 6.795 -5.634 -3.418 1.00 0.00 C ATOM 390 SG CYS A 44 7.495 -5.912 -5.081 1.00 0.00 S ATOM 0 H CYS A 44 5.979 -4.994 -1.189 1.00 0.00 H new ATOM 0 HA CYS A 44 8.242 -4.225 -2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.132 -6.435 -2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.709 -5.707 -3.480 1.00 0.00 H new ATOM 395 N ASP A 45 5.446 -2.833 -3.750 1.00 0.00 N ATOM 396 CA ASP A 45 4.883 -1.750 -4.568 1.00 0.00 C ATOM 397 C ASP A 45 5.239 -0.356 -4.022 1.00 0.00 C ATOM 398 O ASP A 45 5.257 0.618 -4.784 1.00 0.00 O ATOM 399 CB ASP A 45 3.357 -1.892 -4.671 1.00 0.00 C ATOM 400 CG ASP A 45 2.931 -3.067 -5.535 1.00 0.00 C ATOM 401 OD1 ASP A 45 2.777 -2.879 -6.760 1.00 0.00 O ATOM 402 OD2 ASP A 45 2.755 -4.174 -4.984 1.00 0.00 O ATOM 0 H ASP A 45 4.747 -3.342 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 45 5.328 -1.840 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.940 -2.012 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.938 -0.974 -5.083 1.00 0.00 H new ATOM 407 N LEU A 46 5.522 -0.270 -2.701 1.00 0.00 N ATOM 408 CA LEU A 46 5.854 0.992 -2.051 1.00 0.00 C ATOM 409 C LEU A 46 7.325 1.396 -2.234 1.00 0.00 C ATOM 410 O LEU A 46 7.603 2.472 -2.758 1.00 0.00 O ATOM 411 CB LEU A 46 5.547 0.851 -0.547 1.00 0.00 C ATOM 412 CG LEU A 46 5.819 2.096 0.286 1.00 0.00 C ATOM 413 CD1 LEU A 46 4.698 2.355 1.266 1.00 0.00 C ATOM 414 CD2 LEU A 46 7.150 1.996 1.021 1.00 0.00 C ATOM 0 H LEU A 46 5.523 -1.073 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 46 5.255 1.776 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.499 0.576 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.139 0.028 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 46 5.874 2.938 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.921 3.250 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.765 2.499 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.598 1.503 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.312 2.902 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.134 1.133 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.957 1.882 0.298 1.00 0.00 H new ATOM 426 N LYS A 47 8.246 0.501 -1.842 1.00 0.00 N ATOM 427 CA LYS A 47 9.695 0.734 -1.921 1.00 0.00 C ATOM 428 C LYS A 47 10.150 1.088 -3.340 1.00 0.00 C ATOM 429 O LYS A 47 11.042 1.921 -3.533 1.00 0.00 O ATOM 430 CB LYS A 47 10.449 -0.517 -1.442 1.00 0.00 C ATOM 431 CG LYS A 47 9.932 -1.172 -0.144 1.00 0.00 C ATOM 432 CD LYS A 47 10.161 -0.333 1.126 1.00 0.00 C ATOM 433 CE LYS A 47 11.579 -0.470 1.656 1.00 0.00 C ATOM 434 NZ LYS A 47 11.825 0.411 2.831 1.00 0.00 N ATOM 0 H LYS A 47 8.003 -0.412 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 47 9.922 1.584 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.416 -1.262 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.496 -0.251 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.865 -1.366 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.421 -2.138 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.956 0.715 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.455 -0.643 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.762 -1.507 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.287 -0.224 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.804 0.286 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.676 1.403 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.168 0.160 3.597 1.00 0.00 H new ATOM 448 N VAL A 48 9.512 0.432 -4.312 1.00 0.00 N ATOM 449 CA VAL A 48 9.761 0.635 -5.744 1.00 0.00 C ATOM 450 C VAL A 48 9.397 2.069 -6.188 1.00 0.00 C ATOM 451 O VAL A 48 10.086 2.658 -7.020 1.00 0.00 O ATOM 452 CB VAL A 48 8.971 -0.443 -6.554 1.00 0.00 C ATOM 453 CG1 VAL A 48 7.523 -0.055 -6.870 1.00 0.00 C ATOM 454 CG2 VAL A 48 9.723 -0.849 -7.820 1.00 0.00 C ATOM 0 H VAL A 48 8.795 -0.268 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 48 10.826 0.518 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 48 8.904 -1.308 -5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.046 -0.857 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.979 0.108 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.512 0.860 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.147 -1.600 -8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.865 0.025 -8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.694 -1.263 -7.549 1.00 0.00 H new ATOM 464 N TYR A 49 8.326 2.609 -5.591 1.00 0.00 N ATOM 465 CA TYR A 49 7.836 3.960 -5.906 1.00 0.00 C ATOM 466 C TYR A 49 8.757 5.041 -5.325 1.00 0.00 C ATOM 467 O TYR A 49 8.932 6.100 -5.912 1.00 0.00 O ATOM 468 CB TYR A 49 6.414 4.136 -5.353 1.00 0.00 C ATOM 469 CG TYR A 49 5.472 4.895 -6.271 1.00 0.00 C ATOM 470 CD1 TYR A 49 4.735 4.234 -7.249 1.00 0.00 C ATOM 471 CD2 TYR A 49 5.316 6.271 -6.151 1.00 0.00 C ATOM 472 CE1 TYR A 49 3.875 4.925 -8.082 1.00 0.00 C ATOM 473 CE2 TYR A 49 4.456 6.968 -6.979 1.00 0.00 C ATOM 474 CZ TYR A 49 3.739 6.291 -7.943 1.00 0.00 C ATOM 475 OH TYR A 49 2.882 6.980 -8.769 1.00 0.00 O ATOM 0 H TYR A 49 7.777 2.126 -4.880 1.00 0.00 H new ATOM 0 HA TYR A 49 7.828 4.073 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.991 3.152 -5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.471 4.659 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.837 3.164 -7.359 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.876 6.805 -5.398 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.312 4.398 -8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.346 8.037 -6.871 1.00 0.00 H new ATOM 0 HH TYR A 49 2.902 7.933 -8.540 1.00 0.00 H new ATOM 485 N ASN A 50 9.334 4.736 -4.167 1.00 0.00 N ATOM 486 CA ASN A 50 10.227 5.639 -3.428 1.00 0.00 C ATOM 487 C ASN A 50 11.631 5.759 -4.044 1.00 0.00 C ATOM 488 O ASN A 50 12.264 6.816 -3.942 1.00 0.00 O ATOM 489 CB ASN A 50 10.338 5.161 -1.967 1.00 0.00 C ATOM 490 CG ASN A 50 8.993 4.977 -1.244 1.00 0.00 C ATOM 491 OD1 ASN A 50 8.935 5.015 -0.014 1.00 0.00 O ATOM 492 ND2 ASN A 50 7.913 4.784 -2.002 1.00 0.00 N ATOM 0 H ASN A 50 9.195 3.839 -3.702 1.00 0.00 H new ATOM 0 HA ASN A 50 9.784 6.634 -3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.876 4.213 -1.950 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.939 5.879 -1.409 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.999 4.662 -1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.001 4.759 -3.018 1.00 0.00 H new ATOM 499 N CYS A 51 12.102 4.673 -4.684 1.00 0.00 N ATOM 500 CA CYS A 51 13.448 4.609 -5.271 1.00 0.00 C ATOM 501 C CYS A 51 13.602 5.423 -6.568 1.00 0.00 C ATOM 502 O CYS A 51 14.488 6.281 -6.650 1.00 0.00 O ATOM 503 CB CYS A 51 13.814 3.141 -5.520 1.00 0.00 C ATOM 504 SG CYS A 51 15.545 2.853 -6.034 1.00 0.00 S ATOM 0 H CYS A 51 11.559 3.818 -4.807 1.00 0.00 H new ATOM 0 HA CYS A 51 14.131 5.065 -4.554 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.622 2.575 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 51 13.151 2.742 -6.288 1.00 0.00 H new ATOM 509 N TRP A 52 12.747 5.155 -7.567 1.00 0.00 N ATOM 510 CA TRP A 52 12.847 5.846 -8.866 1.00 0.00 C ATOM 511 C TRP A 52 11.925 7.069 -9.045 1.00 0.00 C ATOM 512 O TRP A 52 12.034 7.787 -10.048 1.00 0.00 O ATOM 513 CB TRP A 52 12.728 4.837 -10.013 1.00 0.00 C ATOM 514 CG TRP A 52 11.447 4.062 -10.152 1.00 0.00 C ATOM 515 CD1 TRP A 52 11.184 2.813 -9.676 1.00 0.00 C ATOM 516 CD2 TRP A 52 10.291 4.470 -10.874 1.00 0.00 C ATOM 517 NE1 TRP A 52 9.919 2.423 -10.052 1.00 0.00 N ATOM 518 CE2 TRP A 52 9.349 3.430 -10.789 1.00 0.00 C ATOM 519 CE3 TRP A 52 9.960 5.630 -11.572 1.00 0.00 C ATOM 520 CZ2 TRP A 52 8.097 3.513 -11.390 1.00 0.00 C ATOM 521 CZ3 TRP A 52 8.717 5.718 -12.164 1.00 0.00 C ATOM 522 CH2 TRP A 52 7.798 4.663 -12.073 1.00 0.00 C ATOM 0 H TRP A 52 11.989 4.476 -7.505 1.00 0.00 H new ATOM 0 HA TRP A 52 13.841 6.293 -8.888 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.894 5.374 -10.947 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.541 4.119 -9.909 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.868 2.217 -9.090 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.478 1.533 -9.821 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.664 6.445 -11.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.387 2.702 -11.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.448 6.613 -12.706 1.00 0.00 H new ATOM 0 HH2 TRP A 52 6.834 4.759 -12.551 1.00 0.00 H new ATOM 533 N ASN A 53 11.031 7.290 -8.086 1.00 0.00 N ATOM 534 CA ASN A 53 10.130 8.452 -8.093 1.00 0.00 C ATOM 535 C ASN A 53 10.584 9.483 -7.028 1.00 0.00 C ATOM 536 O ASN A 53 10.126 9.427 -5.876 1.00 0.00 O ATOM 537 CB ASN A 53 8.670 8.037 -7.835 1.00 0.00 C ATOM 538 CG ASN A 53 8.105 7.076 -8.866 1.00 0.00 C ATOM 539 OD1 ASN A 53 7.140 7.390 -9.562 1.00 0.00 O ATOM 540 ND2 ASN A 53 8.709 5.899 -8.966 1.00 0.00 N ATOM 0 H ASN A 53 10.906 6.675 -7.282 1.00 0.00 H new ATOM 0 HA ASN A 53 10.179 8.907 -9.082 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.604 7.575 -6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.049 8.932 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.376 5.211 -9.641 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.506 5.682 -8.368 1.00 0.00 H new ATOM 547 N PRO A 54 11.519 10.430 -7.377 1.00 0.00 N ATOM 548 CA PRO A 54 12.015 11.467 -6.429 1.00 0.00 C ATOM 549 C PRO A 54 10.966 12.550 -6.089 1.00 0.00 C ATOM 550 O PRO A 54 10.888 13.008 -4.943 1.00 0.00 O ATOM 551 CB PRO A 54 13.200 12.088 -7.191 1.00 0.00 C ATOM 552 CG PRO A 54 12.852 11.900 -8.629 1.00 0.00 C ATOM 553 CD PRO A 54 12.198 10.552 -8.698 1.00 0.00 C ATOM 0 HA PRO A 54 12.272 11.034 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.322 13.143 -6.946 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.138 11.592 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.179 12.683 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.741 11.940 -9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.487 10.492 -9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.929 9.758 -8.849 1.00 0.00 H new ATOM 561 N ASP A 55 10.173 12.935 -7.106 1.00 0.00 N ATOM 562 CA ASP A 55 9.124 13.966 -6.973 1.00 0.00 C ATOM 563 C ASP A 55 7.887 13.490 -6.190 1.00 0.00 C ATOM 564 O ASP A 55 7.223 14.308 -5.541 1.00 0.00 O ATOM 565 CB ASP A 55 8.688 14.457 -8.358 1.00 0.00 C ATOM 566 CG ASP A 55 9.697 15.401 -8.991 1.00 0.00 C ATOM 567 OD1 ASP A 55 9.594 16.623 -8.755 1.00 0.00 O ATOM 568 OD2 ASP A 55 10.588 14.915 -9.719 1.00 0.00 O ATOM 0 H ASP A 55 10.241 12.540 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 55 9.571 14.778 -6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.539 13.598 -9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.727 14.963 -8.273 1.00 0.00 H new ATOM 573 N ASN A 56 7.576 12.178 -6.250 1.00 0.00 N ATOM 574 CA ASN A 56 6.411 11.624 -5.548 1.00 0.00 C ATOM 575 C ASN A 56 6.783 10.447 -4.600 1.00 0.00 C ATOM 576 O ASN A 56 6.382 9.301 -4.847 1.00 0.00 O ATOM 577 CB ASN A 56 5.353 11.187 -6.573 1.00 0.00 C ATOM 578 CG ASN A 56 4.474 12.336 -7.029 1.00 0.00 C ATOM 579 OD1 ASN A 56 4.788 13.027 -7.997 1.00 0.00 O ATOM 580 ND2 ASN A 56 3.364 12.544 -6.330 1.00 0.00 N ATOM 0 H ASN A 56 8.115 11.490 -6.776 1.00 0.00 H new ATOM 0 HA ASN A 56 6.004 12.410 -4.913 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.850 10.749 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.729 10.408 -6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.732 13.302 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.143 11.946 -5.534 1.00 0.00 H new ATOM 587 N PRO A 57 7.576 10.697 -3.496 1.00 0.00 N ATOM 588 CA PRO A 57 7.956 9.647 -2.517 1.00 0.00 C ATOM 589 C PRO A 57 6.860 9.395 -1.457 1.00 0.00 C ATOM 590 O PRO A 57 5.904 10.170 -1.362 1.00 0.00 O ATOM 591 CB PRO A 57 9.227 10.225 -1.847 1.00 0.00 C ATOM 592 CG PRO A 57 9.497 11.538 -2.520 1.00 0.00 C ATOM 593 CD PRO A 57 8.191 11.985 -3.112 1.00 0.00 C ATOM 0 HA PRO A 57 8.108 8.682 -3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.075 10.361 -0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.072 9.546 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.871 12.271 -1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.257 11.429 -3.293 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.581 12.531 -2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.335 12.641 -3.970 1.00 0.00 H new ATOM 601 N TYR A 58 6.996 8.297 -0.687 1.00 0.00 N ATOM 602 CA TYR A 58 6.040 7.966 0.378 1.00 0.00 C ATOM 603 C TYR A 58 6.767 7.536 1.649 1.00 0.00 C ATOM 604 O TYR A 58 7.781 6.833 1.584 1.00 0.00 O ATOM 605 CB TYR A 58 5.071 6.856 -0.060 1.00 0.00 C ATOM 606 CG TYR A 58 3.994 7.316 -1.028 1.00 0.00 C ATOM 607 CD1 TYR A 58 4.197 7.272 -2.404 1.00 0.00 C ATOM 608 CD2 TYR A 58 2.772 7.791 -0.563 1.00 0.00 C ATOM 609 CE1 TYR A 58 3.217 7.689 -3.285 1.00 0.00 C ATOM 610 CE2 TYR A 58 1.788 8.208 -1.437 1.00 0.00 C ATOM 611 CZ TYR A 58 2.014 8.155 -2.796 1.00 0.00 C ATOM 612 OH TYR A 58 1.036 8.571 -3.670 1.00 0.00 O ATOM 0 H TYR A 58 7.759 7.628 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 58 5.464 8.868 0.583 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.643 6.053 -0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.593 6.436 0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.137 6.906 -2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.590 7.834 0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.392 7.650 -4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.845 8.574 -1.058 1.00 0.00 H new ATOM 0 HH TYR A 58 1.111 8.069 -4.508 1.00 0.00 H new ATOM 622 N LYS A 59 6.237 7.972 2.796 1.00 0.00 N ATOM 623 CA LYS A 59 6.810 7.645 4.100 1.00 0.00 C ATOM 624 C LYS A 59 5.813 6.794 4.891 1.00 0.00 C ATOM 625 O LYS A 59 4.670 7.208 5.107 1.00 0.00 O ATOM 626 CB LYS A 59 7.178 8.929 4.857 1.00 0.00 C ATOM 627 CG LYS A 59 8.384 9.666 4.288 1.00 0.00 C ATOM 628 CD LYS A 59 8.678 10.938 5.066 1.00 0.00 C ATOM 629 CE LYS A 59 9.865 11.687 4.487 1.00 0.00 C ATOM 630 NZ LYS A 59 10.152 12.942 5.237 1.00 0.00 N ATOM 0 H LYS A 59 5.404 8.558 2.844 1.00 0.00 H new ATOM 0 HA LYS A 59 7.726 7.070 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.319 9.600 4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.378 8.679 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.256 9.013 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.201 9.912 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.800 11.583 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.877 10.689 6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.745 11.044 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.668 11.926 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.969 13.423 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.322 13.568 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.365 12.713 6.229 1.00 0.00 H new ATOM 644 N GLU A 60 6.262 5.602 5.328 1.00 0.00 N ATOM 645 CA GLU A 60 5.401 4.636 6.045 1.00 0.00 C ATOM 646 C GLU A 60 5.075 5.023 7.503 1.00 0.00 C ATOM 647 O GLU A 60 5.965 5.202 8.341 1.00 0.00 O ATOM 648 CB GLU A 60 5.998 3.207 5.967 1.00 0.00 C ATOM 649 CG GLU A 60 7.349 3.025 6.659 1.00 0.00 C ATOM 650 CD GLU A 60 7.800 1.579 6.691 1.00 0.00 C ATOM 651 OE1 GLU A 60 7.464 0.874 7.666 1.00 0.00 O ATOM 652 OE2 GLU A 60 8.490 1.150 5.742 1.00 0.00 O ATOM 0 H GLU A 60 7.221 5.282 5.197 1.00 0.00 H new ATOM 0 HA GLU A 60 4.443 4.659 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.286 2.509 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.106 2.933 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.100 3.624 6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.284 3.404 7.679 1.00 0.00 H new ATOM 659 N VAL A 61 3.770 5.136 7.756 1.00 0.00 N ATOM 660 CA VAL A 61 3.199 5.462 9.076 1.00 0.00 C ATOM 661 C VAL A 61 2.845 4.171 9.843 1.00 0.00 C ATOM 662 O VAL A 61 3.173 4.034 11.026 1.00 0.00 O ATOM 663 CB VAL A 61 1.898 6.334 8.926 1.00 0.00 C ATOM 664 CG1 VAL A 61 1.474 6.967 10.250 1.00 0.00 C ATOM 665 CG2 VAL A 61 2.063 7.423 7.870 1.00 0.00 C ATOM 0 H VAL A 61 3.060 5.001 7.036 1.00 0.00 H new ATOM 0 HA VAL A 61 3.949 6.027 9.629 1.00 0.00 H new ATOM 0 HB VAL A 61 1.114 5.649 8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.572 7.559 10.098 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.274 6.183 10.981 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.273 7.611 10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.142 8.002 7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.885 8.081 8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.280 6.964 6.905 1.00 0.00 H new ATOM 675 N LYS A 62 2.175 3.238 9.139 1.00 0.00 N ATOM 676 CA LYS A 62 1.730 1.946 9.698 1.00 0.00 C ATOM 677 C LYS A 62 1.283 1.023 8.561 1.00 0.00 C ATOM 678 O LYS A 62 1.174 1.466 7.411 1.00 0.00 O ATOM 679 CB LYS A 62 0.536 2.158 10.652 1.00 0.00 C ATOM 680 CG LYS A 62 0.520 1.222 11.854 1.00 0.00 C ATOM 681 CD LYS A 62 -0.680 1.484 12.749 1.00 0.00 C ATOM 682 CE LYS A 62 -0.698 0.546 13.945 1.00 0.00 C ATOM 683 NZ LYS A 62 -1.870 0.796 14.828 1.00 0.00 N ATOM 0 H LYS A 62 1.925 3.361 8.158 1.00 0.00 H new ATOM 0 HA LYS A 62 2.561 1.501 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.549 3.188 11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.390 2.027 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.500 0.188 11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.438 1.350 12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.658 2.517 13.096 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.598 1.360 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.720 -0.487 13.596 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.221 0.670 14.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.846 0.136 15.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.836 1.774 15.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.748 0.653 14.289 1.00 0.00 H new ATOM 697 N VAL A 63 1.023 -0.259 8.878 1.00 0.00 N ATOM 698 CA VAL A 63 0.534 -1.190 7.861 1.00 0.00 C ATOM 699 C VAL A 63 -0.988 -1.374 8.033 1.00 0.00 C ATOM 700 O VAL A 63 -1.461 -2.103 8.915 1.00 0.00 O ATOM 701 CB VAL A 63 1.285 -2.569 7.890 1.00 0.00 C ATOM 702 CG1 VAL A 63 2.732 -2.416 7.431 1.00 0.00 C ATOM 703 CG2 VAL A 63 1.256 -3.207 9.275 1.00 0.00 C ATOM 0 H VAL A 63 1.142 -0.661 9.808 1.00 0.00 H new ATOM 0 HA VAL A 63 0.741 -0.761 6.881 1.00 0.00 H new ATOM 0 HB VAL A 63 0.756 -3.226 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.228 -3.386 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.752 -2.030 6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.252 -1.722 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.787 -4.159 9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.738 -2.542 9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.222 -3.377 9.576 1.00 0.00 H new ATOM 713 N GLY A 64 -1.728 -0.665 7.188 1.00 0.00 N ATOM 714 CA GLY A 64 -3.184 -0.705 7.211 1.00 0.00 C ATOM 715 C GLY A 64 -3.793 0.287 6.239 1.00 0.00 C ATOM 716 O GLY A 64 -3.125 0.749 5.307 1.00 0.00 O ATOM 0 H GLY A 64 -1.338 -0.051 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.523 -1.711 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.537 -0.489 8.219 1.00 0.00 H new ATOM 720 N GLU A 65 -5.073 0.602 6.469 1.00 0.00 N ATOM 721 CA GLU A 65 -5.792 1.599 5.677 1.00 0.00 C ATOM 722 C GLU A 65 -6.081 2.805 6.570 1.00 0.00 C ATOM 723 O GLU A 65 -6.876 2.721 7.518 1.00 0.00 O ATOM 724 CB GLU A 65 -7.091 1.039 5.104 1.00 0.00 C ATOM 725 CG GLU A 65 -7.300 1.355 3.631 1.00 0.00 C ATOM 726 CD GLU A 65 -8.480 0.610 3.037 1.00 0.00 C ATOM 727 OE1 GLU A 65 -9.609 1.143 3.095 1.00 0.00 O ATOM 728 OE2 GLU A 65 -8.275 -0.505 2.513 1.00 0.00 O ATOM 0 H GLU A 65 -5.634 0.174 7.206 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.173 1.892 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.100 -0.043 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.930 1.438 5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.455 2.427 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.397 1.099 3.077 1.00 0.00 H new ATOM 735 N CYS A 66 -5.405 3.911 6.271 1.00 0.00 N ATOM 736 CA CYS A 66 -5.526 5.140 7.047 1.00 0.00 C ATOM 737 C CYS A 66 -6.132 6.292 6.234 1.00 0.00 C ATOM 738 O CYS A 66 -6.046 6.311 5.000 1.00 0.00 O ATOM 739 CB CYS A 66 -4.146 5.528 7.602 1.00 0.00 C ATOM 740 SG CYS A 66 -2.942 6.156 6.376 1.00 0.00 S ATOM 0 H CYS A 66 -4.759 3.980 5.485 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.215 4.951 7.871 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.285 6.289 8.369 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.715 4.656 8.093 1.00 0.00 H new ATOM 745 N ASP A 67 -6.738 7.245 6.959 1.00 0.00 N ATOM 746 CA ASP A 67 -7.368 8.428 6.365 1.00 0.00 C ATOM 747 C ASP A 67 -6.466 9.667 6.548 1.00 0.00 C ATOM 748 O ASP A 67 -5.431 9.594 7.222 1.00 0.00 O ATOM 749 CB ASP A 67 -8.749 8.649 7.008 1.00 0.00 C ATOM 750 CG ASP A 67 -9.749 9.277 6.052 1.00 0.00 C ATOM 751 OD1 ASP A 67 -10.452 8.522 5.348 1.00 0.00 O ATOM 752 OD2 ASP A 67 -9.826 10.523 6.009 1.00 0.00 O ATOM 0 H ASP A 67 -6.804 7.214 7.976 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.501 8.270 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.139 7.693 7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.639 9.289 7.884 1.00 0.00 H new ATOM 757 N ASP A 68 -6.874 10.804 5.944 1.00 0.00 N ATOM 758 CA ASP A 68 -6.117 12.077 6.020 1.00 0.00 C ATOM 759 C ASP A 68 -6.202 12.757 7.412 1.00 0.00 C ATOM 760 O ASP A 68 -5.485 13.730 7.675 1.00 0.00 O ATOM 761 CB ASP A 68 -6.581 13.050 4.906 1.00 0.00 C ATOM 762 CG ASP A 68 -8.088 13.292 4.869 1.00 0.00 C ATOM 763 OD1 ASP A 68 -8.555 14.230 5.549 1.00 0.00 O ATOM 764 OD2 ASP A 68 -8.793 12.544 4.160 1.00 0.00 O ATOM 0 H ASP A 68 -7.730 10.868 5.394 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.068 11.825 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.075 14.006 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.265 12.655 3.940 1.00 0.00 H new ATOM 769 N ALA A 69 -7.070 12.223 8.290 1.00 0.00 N ATOM 770 CA ALA A 69 -7.259 12.757 9.649 1.00 0.00 C ATOM 771 C ALA A 69 -6.367 12.037 10.686 1.00 0.00 C ATOM 772 O ALA A 69 -6.553 12.196 11.901 1.00 0.00 O ATOM 773 CB ALA A 69 -8.734 12.657 10.032 1.00 0.00 C ATOM 0 H ALA A 69 -7.656 11.415 8.079 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.954 13.804 9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.876 13.052 11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.333 13.234 9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.047 11.613 10.004 1.00 0.00 H new ATOM 779 N ASN A 70 -5.380 11.270 10.189 1.00 0.00 N ATOM 780 CA ASN A 70 -4.450 10.520 11.034 1.00 0.00 C ATOM 781 C ASN A 70 -3.115 11.265 11.166 1.00 0.00 C ATOM 782 O ASN A 70 -2.734 12.045 10.284 1.00 0.00 O ATOM 783 CB ASN A 70 -4.229 9.118 10.446 1.00 0.00 C ATOM 784 CG ASN A 70 -3.997 8.061 11.513 1.00 0.00 C ATOM 785 OD1 ASN A 70 -2.862 7.805 11.911 1.00 0.00 O ATOM 786 ND2 ASN A 70 -5.076 7.445 11.978 1.00 0.00 N ATOM 0 H ASN A 70 -5.210 11.157 9.190 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.881 10.423 12.030 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.096 8.839 9.848 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.372 9.142 9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.983 6.726 12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.998 7.690 11.618 1.00 0.00 H new ATOM 793 N LYS A 71 -2.418 11.001 12.277 1.00 0.00 N ATOM 794 CA LYS A 71 -1.118 11.628 12.576 1.00 0.00 C ATOM 795 C LYS A 71 0.064 10.781 12.032 1.00 0.00 C ATOM 796 O LYS A 71 0.124 9.581 12.317 1.00 0.00 O ATOM 797 CB LYS A 71 -0.959 11.882 14.102 1.00 0.00 C ATOM 798 CG LYS A 71 -1.176 10.662 15.019 1.00 0.00 C ATOM 799 CD LYS A 71 -2.613 10.577 15.518 1.00 0.00 C ATOM 800 CE LYS A 71 -2.834 9.334 16.366 1.00 0.00 C ATOM 801 NZ LYS A 71 -4.235 9.239 16.860 1.00 0.00 N ATOM 0 H LYS A 71 -2.735 10.349 12.995 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.096 12.591 12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.042 12.273 14.282 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.663 12.661 14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.925 9.750 14.476 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.499 10.723 15.871 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.849 11.465 16.104 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.295 10.565 14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.596 8.447 15.779 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.150 9.348 17.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.343 8.378 17.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.455 10.072 17.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.887 9.200 16.050 1.00 0.00 H new ATOM 815 N PRO A 72 1.023 11.382 11.234 1.00 0.00 N ATOM 816 CA PRO A 72 2.190 10.642 10.683 1.00 0.00 C ATOM 817 C PRO A 72 3.249 10.304 11.742 1.00 0.00 C ATOM 818 O PRO A 72 3.482 11.093 12.664 1.00 0.00 O ATOM 819 CB PRO A 72 2.793 11.611 9.648 1.00 0.00 C ATOM 820 CG PRO A 72 1.784 12.696 9.468 1.00 0.00 C ATOM 821 CD PRO A 72 1.045 12.793 10.769 1.00 0.00 C ATOM 0 HA PRO A 72 1.876 9.683 10.272 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.743 12.015 9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.991 11.102 8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.267 13.642 9.222 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.103 12.464 8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.555 13.446 11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.039 13.192 10.635 1.00 0.00 H new ATOM 829 N VAL A 73 3.875 9.125 11.594 1.00 0.00 N ATOM 830 CA VAL A 73 4.928 8.673 12.519 1.00 0.00 C ATOM 831 C VAL A 73 6.163 8.020 11.805 1.00 0.00 C ATOM 832 O VAL A 73 7.020 7.476 12.516 1.00 0.00 O ATOM 833 CB VAL A 73 4.395 7.712 13.647 1.00 0.00 C ATOM 834 CG1 VAL A 73 3.659 8.503 14.721 1.00 0.00 C ATOM 835 CG2 VAL A 73 3.492 6.593 13.111 1.00 0.00 C ATOM 0 H VAL A 73 3.670 8.467 10.842 1.00 0.00 H new ATOM 0 HA VAL A 73 5.269 9.595 12.989 1.00 0.00 H new ATOM 0 HB VAL A 73 5.273 7.232 14.079 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.298 7.822 15.492 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.338 9.229 15.168 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.813 9.025 14.273 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.159 5.967 13.938 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.626 7.031 12.615 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.050 5.986 12.398 1.00 0.00 H new