USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 436 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 Single : A 1 ARG N :NH3+ -173:sc= -1.67 (180deg=-1.79) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= -5.03! (180deg=-5.38!) USER MOD Single : A 16 SER OG : rot -125:sc= 0.13 USER MOD Single : A 21 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.1!) USER MOD Single : A 22 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.00055) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0502 USER MOD Single : A 26 ASN : amide:sc= -0.0213 X(o=-0.021,f=-0.064) USER MOD Single : A 27 HIS : no HD1:sc= -0.0655 X(o=-0.065,f=-0.28) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0507 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 46 TYR OH : rot -39:sc= 0.821 USER MOD Single : A 49 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 54 THR OG1 : rot 74:sc= 0.0705 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 59:sc= 0.251 USER MOD Single : A 67 SER OG : rot -33:sc= 0.669 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.266 -11.955 -2.725 1.00 0.00 N ATOM 2 CA ARG A 1 7.249 -11.287 -1.834 1.00 0.00 C ATOM 3 C ARG A 1 6.603 -10.145 -1.056 1.00 0.00 C ATOM 4 O ARG A 1 5.990 -9.251 -1.640 1.00 0.00 O ATOM 5 CB ARG A 1 8.403 -10.761 -2.692 1.00 0.00 C ATOM 6 CG ARG A 1 9.773 -11.211 -2.211 1.00 0.00 C ATOM 7 CD ARG A 1 10.071 -10.691 -0.814 1.00 0.00 C ATOM 8 NE ARG A 1 11.505 -10.639 -0.543 1.00 0.00 N ATOM 9 CZ ARG A 1 12.307 -9.671 -0.980 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.820 -8.672 -1.706 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.601 -9.701 -0.689 1.00 0.00 N ATOM 0 H1 ARG A 1 6.701 -12.798 -3.151 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.432 -12.237 -2.172 1.00 0.00 H new ATOM 0 H3 ARG A 1 5.976 -11.298 -3.477 1.00 0.00 H new ATOM 0 HA ARG A 1 7.621 -12.007 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 1 8.261 -11.093 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.370 -9.672 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.821 -12.300 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.537 -10.857 -2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 1 9.644 -9.695 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.586 -11.332 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 1 11.916 -11.388 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 1 10.826 -8.643 -1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.440 -7.933 -2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 1 13.981 -10.466 -0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.216 -8.959 -1.024 1.00 0.00 H new ATOM 27 N ASP A 2 6.744 -10.179 0.265 1.00 0.00 N ATOM 28 CA ASP A 2 6.176 -9.147 1.125 1.00 0.00 C ATOM 29 C ASP A 2 7.143 -7.979 1.280 1.00 0.00 C ATOM 30 O ASP A 2 7.945 -7.946 2.214 1.00 0.00 O ATOM 31 CB ASP A 2 5.835 -9.728 2.498 1.00 0.00 C ATOM 32 CG ASP A 2 4.544 -9.165 3.059 1.00 0.00 C ATOM 33 OD1 ASP A 2 4.137 -8.066 2.625 1.00 0.00 O ATOM 34 OD2 ASP A 2 3.940 -9.821 3.934 1.00 0.00 O ATOM 0 H ASP A 2 7.248 -10.912 0.764 1.00 0.00 H new ATOM 0 HA ASP A 2 5.262 -8.781 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.752 -10.812 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.650 -9.519 3.191 1.00 0.00 H new ATOM 39 N GLY A 3 7.068 -7.023 0.359 1.00 0.00 N ATOM 40 CA GLY A 3 7.950 -5.873 0.419 1.00 0.00 C ATOM 41 C GLY A 3 7.373 -4.649 -0.262 1.00 0.00 C ATOM 42 O GLY A 3 6.184 -4.607 -0.585 1.00 0.00 O ATOM 0 H GLY A 3 6.415 -7.024 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.160 -5.637 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.902 -6.127 -0.048 1.00 0.00 H new ATOM 46 N TYR A 4 8.226 -3.655 -0.487 1.00 0.00 N ATOM 47 CA TYR A 4 7.811 -2.423 -1.146 1.00 0.00 C ATOM 48 C TYR A 4 8.996 -1.748 -1.837 1.00 0.00 C ATOM 49 O TYR A 4 9.454 -0.685 -1.418 1.00 0.00 O ATOM 50 CB TYR A 4 7.141 -1.468 -0.146 1.00 0.00 C ATOM 51 CG TYR A 4 8.087 -0.746 0.795 1.00 0.00 C ATOM 52 CD1 TYR A 4 9.328 -1.279 1.131 1.00 0.00 C ATOM 53 CD2 TYR A 4 7.726 0.471 1.360 1.00 0.00 C ATOM 54 CE1 TYR A 4 10.177 -0.618 1.997 1.00 0.00 C ATOM 55 CE2 TYR A 4 8.571 1.139 2.226 1.00 0.00 C ATOM 56 CZ TYR A 4 9.795 0.590 2.542 1.00 0.00 C ATOM 57 OH TYR A 4 10.639 1.250 3.405 1.00 0.00 O ATOM 0 H TYR A 4 9.211 -3.679 -0.222 1.00 0.00 H new ATOM 0 HA TYR A 4 7.078 -2.679 -1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.572 -0.724 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.426 -2.035 0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 4 9.632 -2.225 0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.766 0.903 1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.137 -1.046 2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.274 2.086 2.653 1.00 0.00 H new ATOM 0 HH TYR A 4 10.219 2.086 3.697 1.00 0.00 H new ATOM 67 N PRO A 5 9.508 -2.357 -2.924 1.00 0.00 N ATOM 68 CA PRO A 5 10.636 -1.819 -3.684 1.00 0.00 C ATOM 69 C PRO A 5 10.554 -0.302 -3.868 1.00 0.00 C ATOM 70 O PRO A 5 11.567 0.359 -4.091 1.00 0.00 O ATOM 71 CB PRO A 5 10.543 -2.535 -5.043 1.00 0.00 C ATOM 72 CG PRO A 5 9.364 -3.460 -4.958 1.00 0.00 C ATOM 73 CD PRO A 5 9.030 -3.615 -3.500 1.00 0.00 C ATOM 0 HA PRO A 5 11.581 -1.988 -3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.414 -1.816 -5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.457 -3.090 -5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.515 -3.053 -5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.599 -4.426 -5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.960 -3.752 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.530 -4.478 -3.060 1.00 0.00 H new ATOM 81 N LEU A 6 9.340 0.242 -3.770 1.00 0.00 N ATOM 82 CA LEU A 6 9.111 1.676 -3.915 1.00 0.00 C ATOM 83 C LEU A 6 9.822 2.234 -5.150 1.00 0.00 C ATOM 84 O LEU A 6 10.838 2.919 -5.044 1.00 0.00 O ATOM 85 CB LEU A 6 9.535 2.428 -2.638 1.00 0.00 C ATOM 86 CG LEU A 6 11.040 2.470 -2.343 1.00 0.00 C ATOM 87 CD1 LEU A 6 11.437 3.841 -1.814 1.00 0.00 C ATOM 88 CD2 LEU A 6 11.419 1.386 -1.346 1.00 0.00 C ATOM 0 H LEU A 6 8.494 -0.298 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 6 8.042 1.831 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.171 3.453 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.032 1.968 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 6 11.580 2.286 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 6 12.507 3.856 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.199 4.601 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.889 4.049 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.490 1.431 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.872 1.540 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.167 0.409 -1.758 1.00 0.00 H new ATOM 100 N ALA A 7 9.257 1.930 -6.322 1.00 0.00 N ATOM 101 CA ALA A 7 9.794 2.384 -7.605 1.00 0.00 C ATOM 102 C ALA A 7 10.435 3.757 -7.498 1.00 0.00 C ATOM 103 O ALA A 7 11.659 3.888 -7.458 1.00 0.00 O ATOM 104 CB ALA A 7 8.680 2.409 -8.636 1.00 0.00 C ATOM 0 H ALA A 7 8.414 1.362 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 7 10.572 1.685 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.077 2.747 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.266 1.407 -8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.896 3.091 -8.308 1.00 0.00 H new ATOM 110 N SER A 8 9.593 4.773 -7.447 1.00 0.00 N ATOM 111 CA SER A 8 10.055 6.145 -7.336 1.00 0.00 C ATOM 112 C SER A 8 10.862 6.326 -6.048 1.00 0.00 C ATOM 113 O SER A 8 11.474 5.379 -5.557 1.00 0.00 O ATOM 114 CB SER A 8 8.861 7.104 -7.380 1.00 0.00 C ATOM 115 OG SER A 8 9.061 8.122 -8.345 1.00 0.00 O ATOM 0 H SER A 8 8.579 4.673 -7.481 1.00 0.00 H new ATOM 0 HA SER A 8 10.707 6.375 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.953 6.549 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.715 7.553 -6.398 1.00 0.00 H new ATOM 0 HG SER A 8 8.285 8.720 -8.355 1.00 0.00 H new ATOM 121 N ASN A 9 10.871 7.537 -5.506 1.00 0.00 N ATOM 122 CA ASN A 9 11.619 7.809 -4.284 1.00 0.00 C ATOM 123 C ASN A 9 10.779 7.561 -3.031 1.00 0.00 C ATOM 124 O ASN A 9 10.967 8.226 -2.012 1.00 0.00 O ATOM 125 CB ASN A 9 12.137 9.249 -4.290 1.00 0.00 C ATOM 126 CG ASN A 9 13.537 9.355 -4.862 1.00 0.00 C ATOM 127 OD1 ASN A 9 14.497 8.849 -4.282 1.00 0.00 O ATOM 128 ND2 ASN A 9 13.658 10.018 -6.006 1.00 0.00 N ATOM 0 H ASN A 9 10.373 8.341 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 9 12.462 7.119 -4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.460 9.874 -4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.132 9.639 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.575 10.124 -6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.834 10.421 -6.451 1.00 0.00 H new ATOM 135 N GLY A 10 9.868 6.591 -3.098 1.00 0.00 N ATOM 136 CA GLY A 10 9.045 6.280 -1.943 1.00 0.00 C ATOM 137 C GLY A 10 7.562 6.197 -2.257 1.00 0.00 C ATOM 138 O GLY A 10 6.766 6.965 -1.715 1.00 0.00 O ATOM 0 H GLY A 10 9.687 6.021 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.372 5.330 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.204 7.041 -1.179 1.00 0.00 H new ATOM 142 N CYS A 11 7.183 5.254 -3.114 1.00 0.00 N ATOM 143 CA CYS A 11 5.779 5.070 -3.473 1.00 0.00 C ATOM 144 C CYS A 11 5.565 3.748 -4.206 1.00 0.00 C ATOM 145 O CYS A 11 6.304 3.410 -5.131 1.00 0.00 O ATOM 146 CB CYS A 11 5.262 6.223 -4.343 1.00 0.00 C ATOM 147 SG CYS A 11 6.558 7.255 -5.102 1.00 0.00 S ATOM 0 H CYS A 11 7.825 4.607 -3.572 1.00 0.00 H new ATOM 0 HA CYS A 11 5.216 5.057 -2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.638 5.809 -5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.622 6.860 -3.733 1.00 0.00 H new ATOM 152 N LYS A 12 4.538 3.013 -3.795 1.00 0.00 N ATOM 153 CA LYS A 12 4.206 1.734 -4.416 1.00 0.00 C ATOM 154 C LYS A 12 2.799 1.790 -5.002 1.00 0.00 C ATOM 155 O LYS A 12 2.620 1.994 -6.203 1.00 0.00 O ATOM 156 CB LYS A 12 4.296 0.603 -3.391 1.00 0.00 C ATOM 157 CG LYS A 12 5.666 -0.049 -3.312 1.00 0.00 C ATOM 158 CD LYS A 12 5.950 -0.890 -4.544 1.00 0.00 C ATOM 159 CE LYS A 12 6.730 -0.105 -5.582 1.00 0.00 C ATOM 160 NZ LYS A 12 7.812 -0.919 -6.202 1.00 0.00 N ATOM 0 H LYS A 12 3.918 3.282 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 12 4.921 1.540 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.034 0.995 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.556 -0.158 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.432 0.720 -3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.722 -0.675 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.513 -1.778 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.010 -1.234 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.050 0.245 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.164 0.780 -5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.219 -0.401 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.555 -1.103 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.419 -1.822 -6.535 1.00 0.00 H new ATOM 174 N PHE A 13 1.803 1.629 -4.138 1.00 0.00 N ATOM 175 CA PHE A 13 0.408 1.681 -4.551 1.00 0.00 C ATOM 176 C PHE A 13 -0.239 2.947 -3.992 1.00 0.00 C ATOM 177 O PHE A 13 0.441 3.953 -3.789 1.00 0.00 O ATOM 178 CB PHE A 13 -0.340 0.432 -4.071 1.00 0.00 C ATOM 179 CG PHE A 13 0.332 -0.855 -4.449 1.00 0.00 C ATOM 180 CD1 PHE A 13 1.433 -1.309 -3.742 1.00 0.00 C ATOM 181 CD2 PHE A 13 -0.138 -1.613 -5.509 1.00 0.00 C ATOM 182 CE1 PHE A 13 2.053 -2.493 -4.085 1.00 0.00 C ATOM 183 CE2 PHE A 13 0.478 -2.801 -5.856 1.00 0.00 C ATOM 184 CZ PHE A 13 1.575 -3.240 -5.142 1.00 0.00 C ATOM 0 H PHE A 13 1.939 1.460 -3.141 1.00 0.00 H new ATOM 0 HA PHE A 13 0.355 1.706 -5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.441 0.474 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.348 0.441 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.811 -0.730 -2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.995 -1.272 -6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.912 -2.835 -3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.102 -3.384 -6.684 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.059 -4.168 -5.411 1.00 0.00 H new ATOM 194 N GLY A 14 -1.543 2.904 -3.737 1.00 0.00 N ATOM 195 CA GLY A 14 -2.217 4.067 -3.198 1.00 0.00 C ATOM 196 C GLY A 14 -2.525 3.927 -1.722 1.00 0.00 C ATOM 197 O GLY A 14 -3.376 3.128 -1.330 1.00 0.00 O ATOM 0 H GLY A 14 -2.139 2.091 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.595 4.948 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.145 4.231 -3.745 1.00 0.00 H new ATOM 201 N CYS A 15 -1.832 4.712 -0.904 1.00 0.00 N ATOM 202 CA CYS A 15 -2.029 4.683 0.542 1.00 0.00 C ATOM 203 C CYS A 15 -1.065 5.632 1.244 1.00 0.00 C ATOM 204 O CYS A 15 -0.667 5.400 2.385 1.00 0.00 O ATOM 205 CB CYS A 15 -1.834 3.268 1.078 1.00 0.00 C ATOM 206 SG CYS A 15 -2.961 2.823 2.439 1.00 0.00 S ATOM 0 H CYS A 15 -1.127 5.378 -1.218 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.049 5.008 0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.972 2.560 0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.806 3.161 1.423 1.00 0.00 H new ATOM 211 N SER A 16 -0.691 6.701 0.553 1.00 0.00 N ATOM 212 CA SER A 16 0.229 7.687 1.104 1.00 0.00 C ATOM 213 C SER A 16 -0.332 8.304 2.382 1.00 0.00 C ATOM 214 O SER A 16 0.418 8.759 3.244 1.00 0.00 O ATOM 215 CB SER A 16 0.507 8.785 0.076 1.00 0.00 C ATOM 216 OG SER A 16 -0.580 8.932 -0.821 1.00 0.00 O ATOM 0 H SER A 16 -1.012 6.908 -0.393 1.00 0.00 H new ATOM 0 HA SER A 16 1.162 7.179 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.690 9.729 0.589 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.412 8.545 -0.481 1.00 0.00 H new ATOM 0 HG SER A 16 -0.258 8.846 -1.742 1.00 0.00 H new ATOM 222 N GLY A 17 -1.656 8.318 2.495 1.00 0.00 N ATOM 223 CA GLY A 17 -2.294 8.885 3.669 1.00 0.00 C ATOM 224 C GLY A 17 -2.752 10.311 3.442 1.00 0.00 C ATOM 225 O GLY A 17 -3.714 10.768 4.060 1.00 0.00 O ATOM 0 H GLY A 17 -2.298 7.947 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.150 8.271 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.597 8.858 4.507 1.00 0.00 H new ATOM 229 N LEU A 18 -2.061 11.014 2.550 1.00 0.00 N ATOM 230 CA LEU A 18 -2.398 12.398 2.237 1.00 0.00 C ATOM 231 C LEU A 18 -3.602 12.468 1.302 1.00 0.00 C ATOM 232 O LEU A 18 -3.507 12.978 0.185 1.00 0.00 O ATOM 233 CB LEU A 18 -1.196 13.099 1.602 1.00 0.00 C ATOM 234 CG LEU A 18 0.149 12.817 2.278 1.00 0.00 C ATOM 235 CD1 LEU A 18 1.225 12.527 1.241 1.00 0.00 C ATOM 236 CD2 LEU A 18 0.557 13.988 3.161 1.00 0.00 C ATOM 0 H LEU A 18 -1.263 10.647 2.031 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.658 12.906 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.130 12.799 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.373 14.174 1.614 1.00 0.00 H new ATOM 0 HG LEU A 18 0.037 11.933 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.172 12.330 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.938 11.655 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.337 13.388 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.515 13.771 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.648 14.888 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.200 14.145 3.930 1.00 0.00 H new ATOM 248 N GLY A 19 -4.736 11.953 1.767 1.00 0.00 N ATOM 249 CA GLY A 19 -5.944 11.966 0.962 1.00 0.00 C ATOM 250 C GLY A 19 -6.433 10.571 0.624 1.00 0.00 C ATOM 251 O GLY A 19 -5.639 9.693 0.284 1.00 0.00 O ATOM 0 H GLY A 19 -4.840 11.527 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.728 12.502 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.756 12.515 0.039 1.00 0.00 H new ATOM 255 N GLU A 20 -7.744 10.366 0.716 1.00 0.00 N ATOM 256 CA GLU A 20 -8.343 9.068 0.418 1.00 0.00 C ATOM 257 C GLU A 20 -8.588 8.889 -1.083 1.00 0.00 C ATOM 258 O GLU A 20 -9.377 8.034 -1.489 1.00 0.00 O ATOM 259 CB GLU A 20 -9.660 8.906 1.183 1.00 0.00 C ATOM 260 CG GLU A 20 -9.725 7.639 2.019 1.00 0.00 C ATOM 261 CD GLU A 20 -11.046 6.911 1.873 1.00 0.00 C ATOM 262 OE1 GLU A 20 -11.630 6.953 0.770 1.00 0.00 O ATOM 263 OE2 GLU A 20 -11.500 6.299 2.864 1.00 0.00 O ATOM 0 H GLU A 20 -8.413 11.083 0.995 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.639 8.299 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.801 9.769 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.486 8.905 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.913 6.973 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.568 7.892 3.068 1.00 0.00 H new ATOM 270 N ASN A 21 -7.917 9.694 -1.904 1.00 0.00 N ATOM 271 CA ASN A 21 -8.077 9.612 -3.353 1.00 0.00 C ATOM 272 C ASN A 21 -7.227 8.492 -3.956 1.00 0.00 C ATOM 273 O ASN A 21 -7.154 8.353 -5.177 1.00 0.00 O ATOM 274 CB ASN A 21 -7.704 10.947 -4.001 1.00 0.00 C ATOM 275 CG ASN A 21 -8.866 11.920 -4.029 1.00 0.00 C ATOM 276 OD1 ASN A 21 -9.996 11.566 -3.690 1.00 0.00 O ATOM 277 ND2 ASN A 21 -8.594 13.154 -4.434 1.00 0.00 N ATOM 0 H ASN A 21 -7.259 10.408 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.124 9.386 -3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.873 11.393 -3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.358 10.769 -5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.336 13.853 -4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.643 13.404 -4.706 1.00 0.00 H new ATOM 284 N ASN A 22 -6.585 7.698 -3.104 1.00 0.00 N ATOM 285 CA ASN A 22 -5.747 6.599 -3.575 1.00 0.00 C ATOM 286 C ASN A 22 -5.907 5.358 -2.698 1.00 0.00 C ATOM 287 O ASN A 22 -4.927 4.827 -2.184 1.00 0.00 O ATOM 288 CB ASN A 22 -4.275 7.028 -3.605 1.00 0.00 C ATOM 289 CG ASN A 22 -3.895 7.891 -2.416 1.00 0.00 C ATOM 290 OD1 ASN A 22 -3.921 9.118 -2.493 1.00 0.00 O ATOM 291 ND2 ASN A 22 -3.539 7.249 -1.310 1.00 0.00 N ATOM 0 H ASN A 22 -6.628 7.794 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.071 6.345 -4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.642 6.141 -3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.079 7.578 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.272 7.776 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.532 6.229 -1.292 1.00 0.00 H new ATOM 298 N PRO A 23 -7.146 4.872 -2.512 1.00 0.00 N ATOM 299 CA PRO A 23 -7.417 3.690 -1.699 1.00 0.00 C ATOM 300 C PRO A 23 -7.393 2.402 -2.519 1.00 0.00 C ATOM 301 O PRO A 23 -8.071 1.430 -2.183 1.00 0.00 O ATOM 302 CB PRO A 23 -8.827 3.971 -1.199 1.00 0.00 C ATOM 303 CG PRO A 23 -9.484 4.691 -2.333 1.00 0.00 C ATOM 304 CD PRO A 23 -8.390 5.430 -3.074 1.00 0.00 C ATOM 0 HA PRO A 23 -6.675 3.536 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.354 3.049 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.815 4.580 -0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.992 3.989 -2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.239 5.386 -1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.453 5.264 -4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.454 6.506 -2.913 1.00 0.00 H new ATOM 312 N THR A 24 -6.628 2.407 -3.606 1.00 0.00 N ATOM 313 CA THR A 24 -6.538 1.246 -4.485 1.00 0.00 C ATOM 314 C THR A 24 -5.568 0.191 -3.951 1.00 0.00 C ATOM 315 O THR A 24 -5.688 -0.987 -4.285 1.00 0.00 O ATOM 316 CB THR A 24 -6.111 1.680 -5.890 1.00 0.00 C ATOM 317 OG1 THR A 24 -6.296 3.074 -6.063 1.00 0.00 O ATOM 318 CG2 THR A 24 -6.877 0.977 -6.991 1.00 0.00 C ATOM 0 H THR A 24 -6.061 3.203 -3.900 1.00 0.00 H new ATOM 0 HA THR A 24 -7.529 0.793 -4.525 1.00 0.00 H new ATOM 0 HB THR A 24 -5.058 1.408 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.016 3.332 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.526 1.330 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.717 -0.099 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.941 1.193 -6.889 1.00 0.00 H new ATOM 326 N CYS A 25 -4.604 0.609 -3.132 1.00 0.00 N ATOM 327 CA CYS A 25 -3.619 -0.327 -2.581 1.00 0.00 C ATOM 328 C CYS A 25 -4.291 -1.581 -2.028 1.00 0.00 C ATOM 329 O CYS A 25 -3.757 -2.684 -2.144 1.00 0.00 O ATOM 330 CB CYS A 25 -2.784 0.336 -1.482 1.00 0.00 C ATOM 331 SG CYS A 25 -1.456 -0.734 -0.834 1.00 0.00 S ATOM 0 H CYS A 25 -4.482 1.578 -2.837 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.960 -0.617 -3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.343 1.252 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.441 0.624 -0.661 1.00 0.00 H new ATOM 336 N ASN A 26 -5.464 -1.408 -1.428 1.00 0.00 N ATOM 337 CA ASN A 26 -6.202 -2.531 -0.863 1.00 0.00 C ATOM 338 C ASN A 26 -6.653 -3.490 -1.960 1.00 0.00 C ATOM 339 O ASN A 26 -6.331 -4.679 -1.931 1.00 0.00 O ATOM 340 CB ASN A 26 -7.416 -2.028 -0.078 1.00 0.00 C ATOM 341 CG ASN A 26 -7.038 -1.008 0.978 1.00 0.00 C ATOM 342 OD1 ASN A 26 -6.080 -1.200 1.728 1.00 0.00 O ATOM 343 ND2 ASN A 26 -7.791 0.083 1.043 1.00 0.00 N ATOM 0 H ASN A 26 -5.923 -0.503 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.538 -3.067 -0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -8.133 -1.584 -0.768 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.913 -2.873 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.585 0.804 1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.575 0.200 0.401 1.00 0.00 H new ATOM 350 N HIS A 27 -7.398 -2.965 -2.927 1.00 0.00 N ATOM 351 CA HIS A 27 -7.894 -3.773 -4.034 1.00 0.00 C ATOM 352 C HIS A 27 -6.744 -4.273 -4.904 1.00 0.00 C ATOM 353 O HIS A 27 -6.651 -5.463 -5.197 1.00 0.00 O ATOM 354 CB HIS A 27 -8.878 -2.965 -4.881 1.00 0.00 C ATOM 355 CG HIS A 27 -10.292 -3.046 -4.393 1.00 0.00 C ATOM 356 ND1 HIS A 27 -10.932 -4.240 -4.134 1.00 0.00 N ATOM 357 CD2 HIS A 27 -11.191 -2.072 -4.113 1.00 0.00 C ATOM 358 CE1 HIS A 27 -12.162 -3.998 -3.718 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.345 -2.690 -3.695 1.00 0.00 N ATOM 0 H HIS A 27 -7.671 -1.983 -2.966 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.410 -4.638 -3.617 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.565 -1.921 -4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.836 -3.320 -5.911 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.031 -1.008 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.894 -4.743 -3.443 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.203 -2.216 -3.413 1.00 0.00 H new ATOM 368 N VAL A 28 -5.871 -3.356 -5.315 1.00 0.00 N ATOM 369 CA VAL A 28 -4.727 -3.705 -6.155 1.00 0.00 C ATOM 370 C VAL A 28 -3.983 -4.919 -5.604 1.00 0.00 C ATOM 371 O VAL A 28 -3.711 -5.874 -6.333 1.00 0.00 O ATOM 372 CB VAL A 28 -3.741 -2.526 -6.285 1.00 0.00 C ATOM 373 CG1 VAL A 28 -2.630 -2.863 -7.268 1.00 0.00 C ATOM 374 CG2 VAL A 28 -4.471 -1.259 -6.707 1.00 0.00 C ATOM 0 H VAL A 28 -5.934 -2.365 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.125 -3.946 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.289 -2.348 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.945 -2.019 -7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.087 -3.740 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.061 -3.072 -8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.757 -0.439 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.955 -1.421 -7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.224 -1.007 -5.961 1.00 0.00 H new ATOM 384 N CYS A 29 -3.661 -4.880 -4.314 1.00 0.00 N ATOM 385 CA CYS A 29 -2.953 -5.982 -3.671 1.00 0.00 C ATOM 386 C CYS A 29 -3.723 -7.287 -3.835 1.00 0.00 C ATOM 387 O CYS A 29 -3.185 -8.281 -4.317 1.00 0.00 O ATOM 388 CB CYS A 29 -2.739 -5.684 -2.186 1.00 0.00 C ATOM 389 SG CYS A 29 -1.258 -4.682 -1.833 1.00 0.00 S ATOM 0 H CYS A 29 -3.879 -4.099 -3.695 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.982 -6.089 -4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.616 -5.164 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.664 -6.627 -1.644 1.00 0.00 H new ATOM 394 N GLU A 30 -4.990 -7.276 -3.440 1.00 0.00 N ATOM 395 CA GLU A 30 -5.831 -8.461 -3.556 1.00 0.00 C ATOM 396 C GLU A 30 -6.328 -8.652 -4.991 1.00 0.00 C ATOM 397 O GLU A 30 -7.120 -9.554 -5.263 1.00 0.00 O ATOM 398 CB GLU A 30 -7.022 -8.360 -2.600 1.00 0.00 C ATOM 399 CG GLU A 30 -7.704 -9.693 -2.336 1.00 0.00 C ATOM 400 CD GLU A 30 -9.216 -9.590 -2.364 1.00 0.00 C ATOM 401 OE1 GLU A 30 -9.752 -8.971 -3.307 1.00 0.00 O ATOM 402 OE2 GLU A 30 -9.865 -10.128 -1.441 1.00 0.00 O ATOM 0 H GLU A 30 -5.457 -6.463 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.227 -9.328 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.683 -7.941 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.751 -7.664 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.379 -10.417 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.387 -10.073 -1.365 1.00 0.00 H new ATOM 409 N LYS A 31 -5.869 -7.797 -5.905 1.00 0.00 N ATOM 410 CA LYS A 31 -6.280 -7.879 -7.301 1.00 0.00 C ATOM 411 C LYS A 31 -5.386 -8.828 -8.094 1.00 0.00 C ATOM 412 O LYS A 31 -5.857 -9.839 -8.618 1.00 0.00 O ATOM 413 CB LYS A 31 -6.260 -6.492 -7.944 1.00 0.00 C ATOM 414 CG LYS A 31 -6.776 -6.479 -9.375 1.00 0.00 C ATOM 415 CD LYS A 31 -8.255 -6.829 -9.437 1.00 0.00 C ATOM 416 CE LYS A 31 -8.473 -8.240 -9.959 1.00 0.00 C ATOM 417 NZ LYS A 31 -9.918 -8.543 -10.157 1.00 0.00 N ATOM 0 H LYS A 31 -5.214 -7.042 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.296 -8.273 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.864 -5.813 -7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.240 -6.109 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.616 -5.493 -9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.207 -7.190 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.694 -6.736 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.771 -6.118 -10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.944 -8.363 -10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.045 -8.956 -9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.023 -9.514 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.419 -8.451 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.321 -7.876 -10.845 1.00 0.00 H new ATOM 431 N LYS A 32 -4.099 -8.499 -8.194 1.00 0.00 N ATOM 432 CA LYS A 32 -3.168 -9.335 -8.947 1.00 0.00 C ATOM 433 C LYS A 32 -2.014 -9.854 -8.089 1.00 0.00 C ATOM 434 O LYS A 32 -1.074 -10.453 -8.611 1.00 0.00 O ATOM 435 CB LYS A 32 -2.608 -8.575 -10.146 1.00 0.00 C ATOM 436 CG LYS A 32 -1.720 -9.436 -11.028 1.00 0.00 C ATOM 437 CD LYS A 32 -1.981 -9.186 -12.504 1.00 0.00 C ATOM 438 CE LYS A 32 -1.596 -7.772 -12.906 1.00 0.00 C ATOM 439 NZ LYS A 32 -0.126 -7.629 -13.099 1.00 0.00 N ATOM 0 H LYS A 32 -3.682 -7.671 -7.769 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.739 -10.197 -9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.434 -8.185 -10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.037 -7.717 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.674 -9.229 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.892 -10.488 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.416 -9.902 -13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.036 -9.353 -12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.111 -7.504 -13.829 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.931 -7.073 -12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.095 -6.650 -13.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.365 -7.860 -12.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.190 -8.277 -13.848 1.00 0.00 H new ATOM 453 N ALA A 33 -2.083 -9.649 -6.780 1.00 0.00 N ATOM 454 CA ALA A 33 -1.030 -10.135 -5.897 1.00 0.00 C ATOM 455 C ALA A 33 -1.438 -11.465 -5.273 1.00 0.00 C ATOM 456 O ALA A 33 -0.597 -12.217 -4.781 1.00 0.00 O ATOM 457 CB ALA A 33 -0.706 -9.109 -4.820 1.00 0.00 C ATOM 0 H ALA A 33 -2.844 -9.158 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.129 -10.292 -6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.082 -9.496 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.370 -8.184 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.598 -8.912 -4.225 1.00 0.00 H new ATOM 463 N GLY A 34 -2.735 -11.757 -5.312 1.00 0.00 N ATOM 464 CA GLY A 34 -3.231 -13.003 -4.765 1.00 0.00 C ATOM 465 C GLY A 34 -3.403 -12.970 -3.257 1.00 0.00 C ATOM 466 O GLY A 34 -3.953 -13.903 -2.671 1.00 0.00 O ATOM 0 H GLY A 34 -3.450 -11.151 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.189 -13.239 -5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.543 -13.807 -5.028 1.00 0.00 H new ATOM 470 N SER A 35 -2.931 -11.900 -2.620 1.00 0.00 N ATOM 471 CA SER A 35 -3.040 -11.766 -1.173 1.00 0.00 C ATOM 472 C SER A 35 -3.499 -10.364 -0.787 1.00 0.00 C ATOM 473 O SER A 35 -3.741 -9.521 -1.651 1.00 0.00 O ATOM 474 CB SER A 35 -1.697 -12.075 -0.509 1.00 0.00 C ATOM 475 OG SER A 35 -1.866 -12.393 0.861 1.00 0.00 O ATOM 0 H SER A 35 -2.471 -11.117 -3.084 1.00 0.00 H new ATOM 0 HA SER A 35 -3.785 -12.481 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.217 -12.908 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.033 -11.216 -0.607 1.00 0.00 H new ATOM 0 HG SER A 35 -0.993 -12.588 1.262 1.00 0.00 H new ATOM 481 N ASP A 36 -3.613 -10.121 0.514 1.00 0.00 N ATOM 482 CA ASP A 36 -4.040 -8.819 1.014 1.00 0.00 C ATOM 483 C ASP A 36 -3.110 -8.331 2.120 1.00 0.00 C ATOM 484 O ASP A 36 -3.557 -7.748 3.108 1.00 0.00 O ATOM 485 CB ASP A 36 -5.476 -8.895 1.533 1.00 0.00 C ATOM 486 CG ASP A 36 -6.259 -7.626 1.256 1.00 0.00 C ATOM 487 OD1 ASP A 36 -5.682 -6.528 1.410 1.00 0.00 O ATOM 488 OD2 ASP A 36 -7.447 -7.729 0.884 1.00 0.00 O ATOM 0 H ASP A 36 -3.416 -10.808 1.241 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.998 -8.108 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.983 -9.740 1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.462 -9.083 2.607 1.00 0.00 H new ATOM 493 N TYR A 37 -1.815 -8.576 1.948 1.00 0.00 N ATOM 494 CA TYR A 37 -0.822 -8.161 2.934 1.00 0.00 C ATOM 495 C TYR A 37 -0.108 -6.890 2.485 1.00 0.00 C ATOM 496 O TYR A 37 0.623 -6.891 1.493 1.00 0.00 O ATOM 497 CB TYR A 37 0.194 -9.282 3.164 1.00 0.00 C ATOM 498 CG TYR A 37 0.027 -9.985 4.493 1.00 0.00 C ATOM 499 CD1 TYR A 37 -1.100 -10.752 4.758 1.00 0.00 C ATOM 500 CD2 TYR A 37 0.997 -9.881 5.481 1.00 0.00 C ATOM 501 CE1 TYR A 37 -1.257 -11.395 5.970 1.00 0.00 C ATOM 502 CE2 TYR A 37 0.848 -10.522 6.696 1.00 0.00 C ATOM 503 CZ TYR A 37 -0.280 -11.277 6.936 1.00 0.00 C ATOM 504 OH TYR A 37 -0.432 -11.917 8.145 1.00 0.00 O ATOM 0 H TYR A 37 -1.429 -9.059 1.137 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.338 -7.951 3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.104 -10.014 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.200 -8.867 3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.867 -10.847 4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.882 -9.290 5.297 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.140 -11.987 6.160 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.612 -10.432 7.454 1.00 0.00 H new ATOM 0 HH TYR A 37 0.345 -11.733 8.713 1.00 0.00 H new ATOM 514 N GLY A 38 -0.328 -5.807 3.225 1.00 0.00 N ATOM 515 CA GLY A 38 0.299 -4.540 2.896 1.00 0.00 C ATOM 516 C GLY A 38 0.458 -3.639 4.105 1.00 0.00 C ATOM 517 O GLY A 38 0.111 -4.024 5.221 1.00 0.00 O ATOM 0 H GLY A 38 -0.930 -5.785 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.278 -4.727 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.298 -4.028 2.141 1.00 0.00 H new ATOM 521 N TYR A 39 0.978 -2.433 3.884 1.00 0.00 N ATOM 522 CA TYR A 39 1.170 -1.479 4.981 1.00 0.00 C ATOM 523 C TYR A 39 0.887 -0.046 4.535 1.00 0.00 C ATOM 524 O TYR A 39 1.035 0.294 3.362 1.00 0.00 O ATOM 525 CB TYR A 39 2.589 -1.614 5.577 1.00 0.00 C ATOM 526 CG TYR A 39 3.502 -0.401 5.421 1.00 0.00 C ATOM 527 CD1 TYR A 39 3.722 0.198 4.182 1.00 0.00 C ATOM 528 CD2 TYR A 39 4.161 0.132 6.523 1.00 0.00 C ATOM 529 CE1 TYR A 39 4.566 1.285 4.048 1.00 0.00 C ATOM 530 CE2 TYR A 39 5.007 1.218 6.397 1.00 0.00 C ATOM 531 CZ TYR A 39 5.207 1.790 5.159 1.00 0.00 C ATOM 532 OH TYR A 39 6.049 2.870 5.031 1.00 0.00 O ATOM 0 H TYR A 39 1.272 -2.094 2.968 1.00 0.00 H new ATOM 0 HA TYR A 39 0.450 -1.719 5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.495 -1.838 6.640 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.076 -2.472 5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.223 -0.195 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.009 -0.311 7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.722 1.736 3.079 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.510 1.617 7.266 1.00 0.00 H new ATOM 0 HH TYR A 39 6.419 3.102 5.908 1.00 0.00 H new ATOM 542 N CYS A 40 0.485 0.786 5.490 1.00 0.00 N ATOM 543 CA CYS A 40 0.183 2.187 5.221 1.00 0.00 C ATOM 544 C CYS A 40 0.601 3.054 6.402 1.00 0.00 C ATOM 545 O CYS A 40 -0.135 3.184 7.380 1.00 0.00 O ATOM 546 CB CYS A 40 -1.311 2.368 4.945 1.00 0.00 C ATOM 547 SG CYS A 40 -1.921 1.440 3.500 1.00 0.00 S ATOM 0 H CYS A 40 0.360 0.511 6.464 1.00 0.00 H new ATOM 0 HA CYS A 40 0.743 2.497 4.339 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.872 2.057 5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.516 3.428 4.795 1.00 0.00 H new ATOM 552 N TYR A 41 1.789 3.639 6.309 1.00 0.00 N ATOM 553 CA TYR A 41 2.306 4.487 7.377 1.00 0.00 C ATOM 554 C TYR A 41 2.696 5.859 6.842 1.00 0.00 C ATOM 555 O TYR A 41 2.164 6.880 7.274 1.00 0.00 O ATOM 556 CB TYR A 41 3.515 3.823 8.042 1.00 0.00 C ATOM 557 CG TYR A 41 3.400 3.721 9.547 1.00 0.00 C ATOM 558 CD1 TYR A 41 2.769 2.636 10.142 1.00 0.00 C ATOM 559 CD2 TYR A 41 3.922 4.710 10.371 1.00 0.00 C ATOM 560 CE1 TYR A 41 2.662 2.538 11.516 1.00 0.00 C ATOM 561 CE2 TYR A 41 3.819 4.620 11.747 1.00 0.00 C ATOM 562 CZ TYR A 41 3.188 3.532 12.314 1.00 0.00 C ATOM 563 OH TYR A 41 3.083 3.438 13.683 1.00 0.00 O ATOM 0 H TYR A 41 2.412 3.542 5.507 1.00 0.00 H new ATOM 0 HA TYR A 41 1.517 4.618 8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.643 2.823 7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.412 4.389 7.792 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.355 1.856 9.520 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.416 5.563 9.930 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.169 1.687 11.963 1.00 0.00 H new ATOM 0 HE2 TYR A 41 4.230 5.397 12.374 1.00 0.00 H new ATOM 0 HH TYR A 41 3.506 4.219 14.098 1.00 0.00 H new ATOM 573 N ALA A 42 3.627 5.872 5.897 1.00 0.00 N ATOM 574 CA ALA A 42 4.089 7.109 5.300 1.00 0.00 C ATOM 575 C ALA A 42 3.351 7.382 3.991 1.00 0.00 C ATOM 576 O ALA A 42 2.198 6.982 3.826 1.00 0.00 O ATOM 577 CB ALA A 42 5.594 7.045 5.085 1.00 0.00 C ATOM 0 H ALA A 42 4.076 5.033 5.529 1.00 0.00 H new ATOM 0 HA ALA A 42 3.873 7.936 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.937 7.977 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.093 6.899 6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.832 6.213 4.422 1.00 0.00 H new ATOM 583 N TRP A 43 4.013 8.064 3.066 1.00 0.00 N ATOM 584 CA TRP A 43 3.410 8.390 1.780 1.00 0.00 C ATOM 585 C TRP A 43 3.624 7.270 0.758 1.00 0.00 C ATOM 586 O TRP A 43 4.185 7.497 -0.314 1.00 0.00 O ATOM 587 CB TRP A 43 3.980 9.711 1.253 1.00 0.00 C ATOM 588 CG TRP A 43 3.783 10.859 2.201 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.984 10.880 3.310 1.00 0.00 C ATOM 590 CD2 TRP A 43 4.394 12.151 2.123 1.00 0.00 C ATOM 591 NE1 TRP A 43 3.064 12.105 3.926 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.923 12.904 3.217 1.00 0.00 C ATOM 593 CE3 TRP A 43 5.295 12.747 1.237 1.00 0.00 C ATOM 594 CZ2 TRP A 43 4.323 14.218 3.445 1.00 0.00 C ATOM 595 CZ3 TRP A 43 5.691 14.051 1.464 1.00 0.00 C ATOM 596 CH2 TRP A 43 5.206 14.774 2.561 1.00 0.00 C ATOM 0 H TRP A 43 4.968 8.402 3.182 1.00 0.00 H new ATOM 0 HA TRP A 43 2.336 8.498 1.930 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.045 9.588 1.058 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.507 9.949 0.300 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.378 10.054 3.652 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.565 12.376 4.773 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.676 12.197 0.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.949 14.778 4.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.386 14.521 0.784 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.536 15.791 2.712 1.00 0.00 H new ATOM 607 N THR A 44 3.170 6.062 1.094 1.00 0.00 N ATOM 608 CA THR A 44 3.311 4.916 0.197 1.00 0.00 C ATOM 609 C THR A 44 2.478 3.732 0.687 1.00 0.00 C ATOM 610 O THR A 44 1.553 3.905 1.480 1.00 0.00 O ATOM 611 CB THR A 44 4.783 4.513 0.077 1.00 0.00 C ATOM 612 OG1 THR A 44 4.949 3.515 -0.917 1.00 0.00 O ATOM 613 CG2 THR A 44 5.366 3.980 1.369 1.00 0.00 C ATOM 0 H THR A 44 2.704 5.853 1.977 1.00 0.00 H new ATOM 0 HA THR A 44 2.943 5.208 -0.787 1.00 0.00 H new ATOM 0 HB THR A 44 5.313 5.427 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.896 3.271 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.411 3.713 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.298 4.745 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.809 3.097 1.683 1.00 0.00 H new ATOM 621 N CYS A 45 2.798 2.531 0.204 1.00 0.00 N ATOM 622 CA CYS A 45 2.057 1.339 0.598 1.00 0.00 C ATOM 623 C CYS A 45 2.883 0.065 0.422 1.00 0.00 C ATOM 624 O CYS A 45 3.723 -0.031 -0.472 1.00 0.00 O ATOM 625 CB CYS A 45 0.769 1.233 -0.221 1.00 0.00 C ATOM 626 SG CYS A 45 -0.591 0.372 0.632 1.00 0.00 S ATOM 0 H CYS A 45 3.558 2.361 -0.454 1.00 0.00 H new ATOM 0 HA CYS A 45 1.819 1.437 1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.438 2.237 -0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.986 0.711 -1.153 1.00 0.00 H new ATOM 631 N TYR A 46 2.614 -0.917 1.279 1.00 0.00 N ATOM 632 CA TYR A 46 3.295 -2.210 1.237 1.00 0.00 C ATOM 633 C TYR A 46 2.375 -3.251 0.620 1.00 0.00 C ATOM 634 O TYR A 46 1.157 -3.157 0.763 1.00 0.00 O ATOM 635 CB TYR A 46 3.673 -2.665 2.650 1.00 0.00 C ATOM 636 CG TYR A 46 5.156 -2.837 2.887 1.00 0.00 C ATOM 637 CD1 TYR A 46 5.992 -1.737 3.023 1.00 0.00 C ATOM 638 CD2 TYR A 46 5.716 -4.104 2.993 1.00 0.00 C ATOM 639 CE1 TYR A 46 7.345 -1.895 3.258 1.00 0.00 C ATOM 640 CE2 TYR A 46 7.067 -4.269 3.224 1.00 0.00 C ATOM 641 CZ TYR A 46 7.877 -3.162 3.357 1.00 0.00 C ATOM 642 OH TYR A 46 9.224 -3.323 3.590 1.00 0.00 O ATOM 0 H TYR A 46 1.919 -0.840 2.021 1.00 0.00 H new ATOM 0 HA TYR A 46 4.200 -2.103 0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.287 -1.939 3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.174 -3.612 2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.579 -0.742 2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.084 -4.974 2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.982 -1.029 3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.487 -5.261 3.300 1.00 0.00 H new ATOM 0 HH TYR A 46 9.726 -2.652 3.082 1.00 0.00 H new ATOM 652 N CYS A 47 2.954 -4.242 -0.050 1.00 0.00 N ATOM 653 CA CYS A 47 2.162 -5.298 -0.672 1.00 0.00 C ATOM 654 C CYS A 47 2.927 -6.615 -0.707 1.00 0.00 C ATOM 655 O CYS A 47 4.159 -6.636 -0.759 1.00 0.00 O ATOM 656 CB CYS A 47 1.756 -4.895 -2.088 1.00 0.00 C ATOM 657 SG CYS A 47 0.252 -5.726 -2.697 1.00 0.00 S ATOM 0 H CYS A 47 3.962 -4.336 -0.176 1.00 0.00 H new ATOM 0 HA CYS A 47 1.265 -5.440 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.599 -3.817 -2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.580 -5.115 -2.767 1.00 0.00 H new ATOM 662 N GLU A 48 2.182 -7.716 -0.679 1.00 0.00 N ATOM 663 CA GLU A 48 2.778 -9.044 -0.708 1.00 0.00 C ATOM 664 C GLU A 48 2.538 -9.721 -2.053 1.00 0.00 C ATOM 665 O GLU A 48 1.533 -9.470 -2.718 1.00 0.00 O ATOM 666 CB GLU A 48 2.205 -9.902 0.419 1.00 0.00 C ATOM 667 CG GLU A 48 3.007 -11.164 0.690 1.00 0.00 C ATOM 668 CD GLU A 48 2.244 -12.428 0.343 1.00 0.00 C ATOM 669 OE1 GLU A 48 1.315 -12.353 -0.489 1.00 0.00 O ATOM 670 OE2 GLU A 48 2.576 -13.496 0.902 1.00 0.00 O ATOM 0 H GLU A 48 1.163 -7.713 -0.636 1.00 0.00 H new ATOM 0 HA GLU A 48 3.853 -8.937 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.161 -9.307 1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.181 -10.179 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.932 -11.133 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.288 -11.192 1.743 1.00 0.00 H new ATOM 677 N HIS A 49 3.471 -10.583 -2.446 1.00 0.00 N ATOM 678 CA HIS A 49 3.374 -11.305 -3.713 1.00 0.00 C ATOM 679 C HIS A 49 3.594 -10.376 -4.905 1.00 0.00 C ATOM 680 O HIS A 49 3.369 -10.763 -6.052 1.00 0.00 O ATOM 681 CB HIS A 49 2.013 -11.995 -3.834 1.00 0.00 C ATOM 682 CG HIS A 49 2.102 -13.417 -4.295 1.00 0.00 C ATOM 683 ND1 HIS A 49 2.411 -14.464 -3.452 1.00 0.00 N ATOM 684 CD2 HIS A 49 1.918 -13.965 -5.520 1.00 0.00 C ATOM 685 CE1 HIS A 49 2.415 -15.593 -4.138 1.00 0.00 C ATOM 686 NE2 HIS A 49 2.117 -15.318 -5.394 1.00 0.00 N ATOM 0 H HIS A 49 4.307 -10.800 -1.903 1.00 0.00 H new ATOM 0 HA HIS A 49 4.160 -12.060 -3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.513 -11.966 -2.866 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.391 -11.434 -4.531 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.662 -13.437 -6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.626 -16.574 -3.739 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.046 -16.000 -6.149 1.00 0.00 H new ATOM 695 N VAL A 50 4.041 -9.156 -4.631 1.00 0.00 N ATOM 696 CA VAL A 50 4.298 -8.182 -5.688 1.00 0.00 C ATOM 697 C VAL A 50 5.751 -7.722 -5.674 1.00 0.00 C ATOM 698 O VAL A 50 6.268 -7.234 -6.678 1.00 0.00 O ATOM 699 CB VAL A 50 3.383 -6.948 -5.570 1.00 0.00 C ATOM 700 CG1 VAL A 50 3.455 -6.116 -6.842 1.00 0.00 C ATOM 701 CG2 VAL A 50 1.950 -7.367 -5.278 1.00 0.00 C ATOM 0 H VAL A 50 4.233 -8.817 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 50 4.085 -8.688 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 50 3.730 -6.336 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.804 -5.247 -6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.481 -5.785 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.132 -6.719 -7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.321 -6.481 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.584 -8.000 -6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.917 -7.921 -4.340 1.00 0.00 H new ATOM 711 N ALA A 51 6.408 -7.882 -4.532 1.00 0.00 N ATOM 712 CA ALA A 51 7.802 -7.484 -4.392 1.00 0.00 C ATOM 713 C ALA A 51 8.746 -8.537 -4.973 1.00 0.00 C ATOM 714 O ALA A 51 9.965 -8.371 -4.940 1.00 0.00 O ATOM 715 CB ALA A 51 8.133 -7.222 -2.930 1.00 0.00 C ATOM 0 H ALA A 51 5.997 -8.285 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 51 7.944 -6.563 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.178 -6.926 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.496 -6.424 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.963 -8.129 -2.350 1.00 0.00 H new ATOM 721 N GLU A 52 8.182 -9.620 -5.507 1.00 0.00 N ATOM 722 CA GLU A 52 8.983 -10.689 -6.093 1.00 0.00 C ATOM 723 C GLU A 52 9.355 -10.367 -7.540 1.00 0.00 C ATOM 724 O GLU A 52 9.155 -11.181 -8.442 1.00 0.00 O ATOM 725 CB GLU A 52 8.224 -12.019 -6.022 1.00 0.00 C ATOM 726 CG GLU A 52 8.980 -13.111 -5.282 1.00 0.00 C ATOM 727 CD GLU A 52 10.021 -13.791 -6.149 1.00 0.00 C ATOM 728 OE1 GLU A 52 9.910 -13.702 -7.390 1.00 0.00 O ATOM 729 OE2 GLU A 52 10.947 -14.413 -5.587 1.00 0.00 O ATOM 0 H GLU A 52 7.175 -9.778 -5.545 1.00 0.00 H new ATOM 0 HA GLU A 52 9.905 -10.776 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.265 -11.855 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.009 -12.360 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.467 -12.681 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.272 -13.856 -4.920 1.00 0.00 H new ATOM 736 N GLY A 53 9.902 -9.175 -7.754 1.00 0.00 N ATOM 737 CA GLY A 53 10.298 -8.768 -9.089 1.00 0.00 C ATOM 738 C GLY A 53 9.115 -8.449 -9.983 1.00 0.00 C ATOM 739 O GLY A 53 9.208 -8.560 -11.206 1.00 0.00 O ATOM 0 H GLY A 53 10.078 -8.483 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.942 -7.891 -9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.888 -9.562 -9.546 1.00 0.00 H new ATOM 743 N THR A 54 8.000 -8.052 -9.376 1.00 0.00 N ATOM 744 CA THR A 54 6.799 -7.715 -10.134 1.00 0.00 C ATOM 745 C THR A 54 6.819 -6.251 -10.564 1.00 0.00 C ATOM 746 O THR A 54 7.665 -5.476 -10.121 1.00 0.00 O ATOM 747 CB THR A 54 5.546 -7.998 -9.302 1.00 0.00 C ATOM 748 OG1 THR A 54 5.743 -9.123 -8.463 1.00 0.00 O ATOM 749 CG2 THR A 54 4.316 -8.268 -10.143 1.00 0.00 C ATOM 0 H THR A 54 7.903 -7.956 -8.365 1.00 0.00 H new ATOM 0 HA THR A 54 6.779 -8.338 -11.029 1.00 0.00 H new ATOM 0 HB THR A 54 5.379 -7.092 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.338 -8.879 -7.723 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.464 -8.461 -9.491 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.105 -7.400 -10.768 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.492 -9.137 -10.776 1.00 0.00 H new ATOM 757 N VAL A 55 5.881 -5.882 -11.433 1.00 0.00 N ATOM 758 CA VAL A 55 5.794 -4.512 -11.925 1.00 0.00 C ATOM 759 C VAL A 55 5.450 -3.543 -10.799 1.00 0.00 C ATOM 760 O VAL A 55 4.886 -3.938 -9.779 1.00 0.00 O ATOM 761 CB VAL A 55 4.736 -4.385 -13.038 1.00 0.00 C ATOM 762 CG1 VAL A 55 4.784 -3.001 -13.668 1.00 0.00 C ATOM 763 CG2 VAL A 55 4.939 -5.465 -14.090 1.00 0.00 C ATOM 0 H VAL A 55 5.173 -6.512 -11.810 1.00 0.00 H new ATOM 0 HA VAL A 55 6.773 -4.258 -12.331 1.00 0.00 H new ATOM 0 HB VAL A 55 3.750 -4.521 -12.594 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.029 -2.932 -14.452 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.586 -2.247 -12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.771 -2.831 -14.099 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.183 -5.361 -14.869 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.931 -5.362 -14.530 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.848 -6.447 -13.626 1.00 0.00 H new ATOM 773 N LEU A 56 5.797 -2.270 -10.992 1.00 0.00 N ATOM 774 CA LEU A 56 5.532 -1.228 -9.999 1.00 0.00 C ATOM 775 C LEU A 56 6.297 0.045 -10.345 1.00 0.00 C ATOM 776 O LEU A 56 7.520 0.098 -10.218 1.00 0.00 O ATOM 777 CB LEU A 56 5.921 -1.706 -8.588 1.00 0.00 C ATOM 778 CG LEU A 56 4.782 -1.807 -7.553 1.00 0.00 C ATOM 779 CD1 LEU A 56 3.409 -1.868 -8.216 1.00 0.00 C ATOM 780 CD2 LEU A 56 4.987 -3.023 -6.660 1.00 0.00 C ATOM 0 H LEU A 56 6.266 -1.934 -11.833 1.00 0.00 H new ATOM 0 HA LEU A 56 4.463 -1.014 -10.012 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.388 -2.687 -8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.678 -1.027 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 56 4.813 -0.902 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.638 -1.939 -7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.251 -0.967 -8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.357 -2.742 -8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.176 -3.082 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.994 -3.926 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.938 -2.933 -6.135 1.00 0.00 H new ATOM 792 N TRP A 57 5.570 1.069 -10.783 1.00 0.00 N ATOM 793 CA TRP A 57 6.183 2.342 -11.146 1.00 0.00 C ATOM 794 C TRP A 57 5.205 3.496 -10.943 1.00 0.00 C ATOM 795 O TRP A 57 4.901 4.241 -11.875 1.00 0.00 O ATOM 796 CB TRP A 57 6.668 2.304 -12.598 1.00 0.00 C ATOM 797 CG TRP A 57 7.922 1.502 -12.774 1.00 0.00 C ATOM 798 CD1 TRP A 57 8.072 0.363 -13.509 1.00 0.00 C ATOM 799 CD2 TRP A 57 9.199 1.776 -12.191 1.00 0.00 C ATOM 800 NE1 TRP A 57 9.367 -0.091 -13.416 1.00 0.00 N ATOM 801 CE2 TRP A 57 10.078 0.761 -12.610 1.00 0.00 C ATOM 802 CE3 TRP A 57 9.685 2.784 -11.353 1.00 0.00 C ATOM 803 CZ2 TRP A 57 11.414 0.725 -12.219 1.00 0.00 C ATOM 804 CZ3 TRP A 57 11.009 2.745 -10.963 1.00 0.00 C ATOM 805 CH2 TRP A 57 11.860 1.722 -11.395 1.00 0.00 C ATOM 0 H TRP A 57 4.557 1.042 -10.895 1.00 0.00 H new ATOM 0 HA TRP A 57 7.041 2.505 -10.493 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.883 1.884 -13.227 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.843 3.323 -12.944 1.00 0.00 H new ATOM 0 HD1 TRP A 57 7.289 -0.113 -14.080 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.738 -0.925 -13.872 1.00 0.00 H new ATOM 0 HE3 TRP A 57 9.036 3.579 -11.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 12.074 -0.061 -12.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 11.394 3.517 -10.314 1.00 0.00 H new ATOM 0 HH2 TRP A 57 12.890 1.719 -11.071 1.00 0.00 H new ATOM 816 N GLY A 58 4.721 3.638 -9.713 1.00 0.00 N ATOM 817 CA GLY A 58 3.787 4.703 -9.398 1.00 0.00 C ATOM 818 C GLY A 58 2.350 4.340 -9.729 1.00 0.00 C ATOM 819 O GLY A 58 1.970 4.286 -10.899 1.00 0.00 O ATOM 0 H GLY A 58 4.960 3.033 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.861 4.944 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.067 5.601 -9.949 1.00 0.00 H new ATOM 823 N ASP A 59 1.549 4.093 -8.696 1.00 0.00 N ATOM 824 CA ASP A 59 0.146 3.735 -8.881 1.00 0.00 C ATOM 825 C ASP A 59 -0.754 4.975 -8.789 1.00 0.00 C ATOM 826 O ASP A 59 -0.709 5.841 -9.663 1.00 0.00 O ATOM 827 CB ASP A 59 -0.262 2.669 -7.858 1.00 0.00 C ATOM 828 CG ASP A 59 -1.657 2.132 -8.107 1.00 0.00 C ATOM 829 OD1 ASP A 59 -1.901 1.600 -9.209 1.00 0.00 O ATOM 830 OD2 ASP A 59 -2.507 2.245 -7.198 1.00 0.00 O ATOM 0 H ASP A 59 1.848 4.134 -7.722 1.00 0.00 H new ATOM 0 HA ASP A 59 0.019 3.317 -9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.452 1.846 -7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.213 3.094 -6.855 1.00 0.00 H new ATOM 835 N SER A 60 -1.568 5.061 -7.738 1.00 0.00 N ATOM 836 CA SER A 60 -2.464 6.198 -7.555 1.00 0.00 C ATOM 837 C SER A 60 -1.935 7.146 -6.481 1.00 0.00 C ATOM 838 O SER A 60 -1.915 8.362 -6.669 1.00 0.00 O ATOM 839 CB SER A 60 -3.865 5.712 -7.176 1.00 0.00 C ATOM 840 OG SER A 60 -4.865 6.510 -7.785 1.00 0.00 O ATOM 0 H SER A 60 -1.624 4.357 -7.002 1.00 0.00 H new ATOM 0 HA SER A 60 -2.516 6.742 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.988 4.673 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.982 5.741 -6.093 1.00 0.00 H new ATOM 0 HG SER A 60 -5.750 6.177 -7.528 1.00 0.00 H new ATOM 846 N GLY A 61 -1.511 6.582 -5.354 1.00 0.00 N ATOM 847 CA GLY A 61 -0.992 7.394 -4.267 1.00 0.00 C ATOM 848 C GLY A 61 0.434 7.861 -4.502 1.00 0.00 C ATOM 849 O GLY A 61 0.979 8.625 -3.707 1.00 0.00 O ATOM 0 H GLY A 61 -1.517 5.578 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.635 8.263 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.032 6.820 -3.341 1.00 0.00 H new ATOM 853 N THR A 62 1.040 7.401 -5.594 1.00 0.00 N ATOM 854 CA THR A 62 2.411 7.778 -5.924 1.00 0.00 C ATOM 855 C THR A 62 2.509 9.287 -6.196 1.00 0.00 C ATOM 856 O THR A 62 2.160 10.092 -5.334 1.00 0.00 O ATOM 857 CB THR A 62 2.895 6.959 -7.124 1.00 0.00 C ATOM 858 OG1 THR A 62 4.155 7.420 -7.584 1.00 0.00 O ATOM 859 CG2 THR A 62 1.935 7.001 -8.291 1.00 0.00 C ATOM 0 H THR A 62 0.604 6.768 -6.264 1.00 0.00 H new ATOM 0 HA THR A 62 3.058 7.559 -5.074 1.00 0.00 H new ATOM 0 HB THR A 62 2.968 5.933 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.810 7.361 -6.857 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.332 6.402 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.970 6.599 -7.983 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.810 8.032 -8.622 1.00 0.00 H new ATOM 867 N GLY A 63 2.985 9.675 -7.384 1.00 0.00 N ATOM 868 CA GLY A 63 3.109 11.087 -7.708 1.00 0.00 C ATOM 869 C GLY A 63 3.867 11.854 -6.640 1.00 0.00 C ATOM 870 O GLY A 63 5.083 11.706 -6.517 1.00 0.00 O ATOM 0 H GLY A 63 3.285 9.038 -8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.621 11.195 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.116 11.519 -7.828 1.00 0.00 H new ATOM 874 N PRO A 64 3.175 12.680 -5.834 1.00 0.00 N ATOM 875 CA PRO A 64 3.809 13.453 -4.765 1.00 0.00 C ATOM 876 C PRO A 64 4.049 12.611 -3.513 1.00 0.00 C ATOM 877 O PRO A 64 3.888 13.087 -2.390 1.00 0.00 O ATOM 878 CB PRO A 64 2.780 14.544 -4.486 1.00 0.00 C ATOM 879 CG PRO A 64 1.472 13.887 -4.762 1.00 0.00 C ATOM 880 CD PRO A 64 1.719 12.921 -5.894 1.00 0.00 C ATOM 0 HA PRO A 64 4.792 13.830 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.840 14.895 -3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.934 15.411 -5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.104 13.366 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.716 14.623 -5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.154 11.998 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.422 13.344 -6.854 1.00 0.00 H new ATOM 888 N CYS A 65 4.429 11.354 -3.721 1.00 0.00 N ATOM 889 CA CYS A 65 4.689 10.429 -2.626 1.00 0.00 C ATOM 890 C CYS A 65 5.842 10.918 -1.752 1.00 0.00 C ATOM 891 O CYS A 65 6.147 12.110 -1.726 1.00 0.00 O ATOM 892 CB CYS A 65 5.003 9.042 -3.189 1.00 0.00 C ATOM 893 SG CYS A 65 6.679 8.880 -3.891 1.00 0.00 S ATOM 0 H CYS A 65 4.564 10.951 -4.648 1.00 0.00 H new ATOM 0 HA CYS A 65 3.797 10.374 -2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.881 8.304 -2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.273 8.803 -3.962 1.00 0.00 H new ATOM 898 N ARG A 66 6.481 9.988 -1.042 1.00 0.00 N ATOM 899 CA ARG A 66 7.605 10.325 -0.174 1.00 0.00 C ATOM 900 C ARG A 66 8.745 10.944 -0.977 1.00 0.00 C ATOM 901 O ARG A 66 9.694 10.256 -1.352 1.00 0.00 O ATOM 902 CB ARG A 66 8.106 9.078 0.552 1.00 0.00 C ATOM 903 CG ARG A 66 7.241 8.662 1.730 1.00 0.00 C ATOM 904 CD ARG A 66 8.000 7.744 2.675 1.00 0.00 C ATOM 905 NE ARG A 66 8.998 8.467 3.461 1.00 0.00 N ATOM 906 CZ ARG A 66 10.279 8.591 3.114 1.00 0.00 C ATOM 907 NH1 ARG A 66 10.730 8.053 1.986 1.00 0.00 N ATOM 908 NH2 ARG A 66 11.114 9.260 3.898 1.00 0.00 N ATOM 0 H ARG A 66 6.239 8.997 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 66 7.259 11.053 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.157 8.252 -0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.121 9.258 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.907 9.548 2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.347 8.155 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.296 7.254 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.491 6.959 2.100 1.00 0.00 H new ATOM 0 HE ARG A 66 8.695 8.905 4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.094 7.539 1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.712 8.154 1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.775 9.678 4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.095 9.356 3.634 1.00 0.00 H new ATOM 922 N SER A 67 8.648 12.242 -1.237 1.00 0.00 N ATOM 923 CA SER A 67 9.675 12.946 -1.996 1.00 0.00 C ATOM 924 C SER A 67 9.505 14.458 -1.872 1.00 0.00 C ATOM 925 O SER A 67 8.536 14.892 -1.215 1.00 0.00 O ATOM 926 CB SER A 67 9.623 12.535 -3.469 1.00 0.00 C ATOM 927 OG SER A 67 10.706 13.093 -4.193 1.00 0.00 O ATOM 928 OXT SER A 67 10.343 15.194 -2.433 1.00 0.00 O ATOM 0 H SER A 67 7.870 12.828 -0.934 1.00 0.00 H new ATOM 0 HA SER A 67 10.646 12.673 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.650 11.448 -3.548 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.681 12.863 -3.908 1.00 0.00 H new ATOM 0 HG SER A 67 10.933 13.970 -3.818 1.00 0.00 H new