USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 417 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 50 THR OG1 : rot 77:sc= 0.00061 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= -0.379 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= -0.036 USER MOD Set 2.2: A 34 TYR OH : rot 37:sc= -0.51 USER MOD Single : A 2 THR OG1 : rot 132:sc= 0.753 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0858) USER MOD Single : A 9 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -0.14 (180deg=-0.743) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 26 THR OG1 : rot -140:sc= -0.671 USER MOD Single : A 29 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 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.902 X(o=-0.9,f=-0.92) USER MOD Single : A 38 ASN : amide:sc= -4.27! C(o=-4.3!,f=-4.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 46 TYR OH : rot 180:sc= -2.92 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -16:sc= 0.326 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 14.144 -1.520 1.747 1.00 0.00 N ATOM 21 CA THR A 2 13.243 -0.495 1.140 1.00 0.00 C ATOM 22 C THR A 2 11.919 -0.435 1.908 1.00 0.00 C ATOM 23 O THR A 2 11.133 -1.364 1.881 1.00 0.00 O ATOM 24 CB THR A 2 13.017 -0.972 -0.297 1.00 0.00 C ATOM 25 OG1 THR A 2 14.266 -1.050 -0.969 1.00 0.00 O ATOM 26 CG2 THR A 2 12.102 0.010 -1.031 1.00 0.00 C ATOM 0 HA THR A 2 13.670 0.507 1.172 1.00 0.00 H new ATOM 0 HB THR A 2 12.548 -1.956 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.338 -1.914 -1.427 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.944 -0.334 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.143 0.068 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.566 0.996 -1.048 1.00 0.00 H new ATOM 34 N THR A 3 11.672 0.653 2.592 1.00 0.00 N ATOM 35 CA THR A 3 10.412 0.790 3.364 1.00 0.00 C ATOM 36 C THR A 3 9.339 1.482 2.518 1.00 0.00 C ATOM 37 O THR A 3 9.413 2.668 2.257 1.00 0.00 O ATOM 38 CB THR A 3 10.779 1.648 4.576 1.00 0.00 C ATOM 39 OG1 THR A 3 11.856 1.039 5.276 1.00 0.00 O ATOM 40 CG2 THR A 3 9.569 1.768 5.503 1.00 0.00 C ATOM 0 H THR A 3 12.298 1.456 2.646 1.00 0.00 H new ATOM 0 HA THR A 3 10.004 -0.177 3.658 1.00 0.00 H new ATOM 0 HB THR A 3 11.078 2.642 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.094 1.588 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.831 2.379 6.366 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.744 2.234 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.268 0.776 5.839 1.00 0.00 H new ATOM 48 N PHE A 4 8.343 0.747 2.092 1.00 0.00 N ATOM 49 CA PHE A 4 7.258 1.353 1.262 1.00 0.00 C ATOM 50 C PHE A 4 6.154 1.911 2.165 1.00 0.00 C ATOM 51 O PHE A 4 6.179 1.733 3.369 1.00 0.00 O ATOM 52 CB PHE A 4 6.719 0.201 0.417 1.00 0.00 C ATOM 53 CG PHE A 4 7.708 -0.149 -0.663 1.00 0.00 C ATOM 54 CD1 PHE A 4 7.692 0.540 -1.882 1.00 0.00 C ATOM 55 CD2 PHE A 4 8.637 -1.172 -0.448 1.00 0.00 C ATOM 56 CE1 PHE A 4 8.607 0.204 -2.885 1.00 0.00 C ATOM 57 CE2 PHE A 4 9.552 -1.506 -1.449 1.00 0.00 C ATOM 58 CZ PHE A 4 9.537 -0.820 -2.668 1.00 0.00 C ATOM 0 H PHE A 4 8.234 -0.249 2.284 1.00 0.00 H new ATOM 0 HA PHE A 4 7.619 2.178 0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.533 -0.668 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.765 0.481 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.974 1.330 -2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.647 -1.704 0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.596 0.734 -3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.271 -2.294 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.243 -1.080 -3.442 1.00 0.00 H new ATOM 68 N LYS A 5 5.186 2.581 1.592 1.00 0.00 N ATOM 69 CA LYS A 5 4.077 3.151 2.415 1.00 0.00 C ATOM 70 C LYS A 5 2.744 3.040 1.666 1.00 0.00 C ATOM 71 O LYS A 5 2.536 3.683 0.656 1.00 0.00 O ATOM 72 CB LYS A 5 4.454 4.617 2.626 1.00 0.00 C ATOM 73 CG LYS A 5 3.509 5.245 3.652 1.00 0.00 C ATOM 74 CD LYS A 5 3.771 6.751 3.736 1.00 0.00 C ATOM 75 CE LYS A 5 4.841 7.030 4.797 1.00 0.00 C ATOM 76 NZ LYS A 5 6.079 7.335 4.026 1.00 0.00 N ATOM 0 H LYS A 5 5.116 2.758 0.590 1.00 0.00 H new ATOM 0 HA LYS A 5 3.952 2.622 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.485 4.692 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.394 5.158 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.473 5.061 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.658 4.785 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.099 7.128 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.850 7.277 3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.556 7.868 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.984 6.168 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.913 7.123 4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.103 6.754 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.086 8.342 3.765 1.00 0.00 H new ATOM 90 N LEU A 6 1.840 2.232 2.161 1.00 0.00 N ATOM 91 CA LEU A 6 0.514 2.077 1.488 1.00 0.00 C ATOM 92 C LEU A 6 -0.517 2.994 2.149 1.00 0.00 C ATOM 93 O LEU A 6 -0.894 2.785 3.288 1.00 0.00 O ATOM 94 CB LEU A 6 0.120 0.607 1.714 1.00 0.00 C ATOM 95 CG LEU A 6 -0.814 0.042 0.600 1.00 0.00 C ATOM 96 CD1 LEU A 6 -1.886 -0.839 1.250 1.00 0.00 C ATOM 97 CD2 LEU A 6 -1.524 1.147 -0.209 1.00 0.00 C ATOM 0 H LEU A 6 1.964 1.672 3.004 1.00 0.00 H new ATOM 0 HA LEU A 6 0.558 2.336 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.023 -0.001 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.380 0.516 2.679 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.185 -0.523 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.545 -1.239 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.408 -1.662 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.469 -0.244 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.159 0.691 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.136 1.752 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.779 1.780 -0.691 1.00 0.00 H new ATOM 109 N ILE A 7 -0.986 3.996 1.448 1.00 0.00 N ATOM 110 CA ILE A 7 -2.005 4.906 2.051 1.00 0.00 C ATOM 111 C ILE A 7 -3.296 4.113 2.303 1.00 0.00 C ATOM 112 O ILE A 7 -3.412 2.971 1.896 1.00 0.00 O ATOM 113 CB ILE A 7 -2.184 6.059 1.029 1.00 0.00 C ATOM 114 CG1 ILE A 7 -2.479 7.351 1.788 1.00 0.00 C ATOM 115 CG2 ILE A 7 -3.325 5.788 0.034 1.00 0.00 C ATOM 116 CD1 ILE A 7 -2.019 8.548 0.955 1.00 0.00 C ATOM 0 H ILE A 7 -0.710 4.221 0.492 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.711 5.317 3.017 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.261 6.142 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.546 7.428 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.967 7.345 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.409 6.625 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.113 4.875 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.262 5.672 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.229 9.470 1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.948 8.472 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.552 8.556 0.004 1.00 0.00 H new ATOM 128 N ILE A 8 -4.258 4.701 2.964 1.00 0.00 N ATOM 129 CA ILE A 8 -5.528 3.966 3.232 1.00 0.00 C ATOM 130 C ILE A 8 -6.735 4.855 2.919 1.00 0.00 C ATOM 131 O ILE A 8 -7.428 5.309 3.810 1.00 0.00 O ATOM 132 CB ILE A 8 -5.482 3.610 4.722 1.00 0.00 C ATOM 133 CG1 ILE A 8 -4.233 2.771 5.016 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.725 2.803 5.095 1.00 0.00 C ATOM 135 CD1 ILE A 8 -4.106 2.552 6.525 1.00 0.00 C ATOM 0 H ILE A 8 -4.220 5.653 3.328 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.627 3.076 2.610 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.451 4.529 5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.298 1.811 4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.345 3.276 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.691 2.551 6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.618 3.395 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.755 1.887 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.218 1.955 6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.021 3.516 7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.989 2.028 6.892 1.00 0.00 H new ATOM 147 N ASN A 9 -6.999 5.095 1.658 1.00 0.00 N ATOM 148 CA ASN A 9 -8.173 5.942 1.287 1.00 0.00 C ATOM 149 C ASN A 9 -9.371 5.040 0.985 1.00 0.00 C ATOM 150 O ASN A 9 -10.053 5.199 -0.009 1.00 0.00 O ATOM 151 CB ASN A 9 -7.736 6.716 0.037 1.00 0.00 C ATOM 152 CG ASN A 9 -7.539 8.194 0.386 1.00 0.00 C ATOM 153 OD1 ASN A 9 -8.212 8.721 1.250 1.00 0.00 O ATOM 154 ND2 ASN A 9 -6.638 8.888 -0.253 1.00 0.00 N ATOM 0 H ASN A 9 -6.453 4.742 0.872 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.473 6.622 2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.809 6.298 -0.355 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.487 6.615 -0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.498 9.873 -0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.073 8.446 -0.978 1.00 0.00 H new ATOM 161 N GLY A 10 -9.621 4.090 1.846 1.00 0.00 N ATOM 162 CA GLY A 10 -10.762 3.156 1.636 1.00 0.00 C ATOM 163 C GLY A 10 -11.861 3.444 2.655 1.00 0.00 C ATOM 164 O GLY A 10 -11.623 4.049 3.683 1.00 0.00 O ATOM 0 H GLY A 10 -9.078 3.921 2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.153 3.267 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.423 2.125 1.735 1.00 0.00 H new ATOM 168 N LYS A 11 -13.060 3.000 2.380 1.00 0.00 N ATOM 169 CA LYS A 11 -14.183 3.229 3.335 1.00 0.00 C ATOM 170 C LYS A 11 -14.095 2.247 4.515 1.00 0.00 C ATOM 171 O LYS A 11 -14.894 2.306 5.431 1.00 0.00 O ATOM 172 CB LYS A 11 -15.455 2.979 2.523 1.00 0.00 C ATOM 173 CG LYS A 11 -16.681 3.349 3.364 1.00 0.00 C ATOM 174 CD LYS A 11 -17.752 3.970 2.464 1.00 0.00 C ATOM 175 CE LYS A 11 -18.604 2.862 1.843 1.00 0.00 C ATOM 176 NZ LYS A 11 -17.910 2.512 0.572 1.00 0.00 N ATOM 0 H LYS A 11 -13.309 2.488 1.534 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.160 4.233 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.437 3.571 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.508 1.932 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.077 2.462 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.398 4.051 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.381 4.646 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.283 4.565 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.674 1.999 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.622 3.204 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.584 2.058 -0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.534 3.376 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.128 1.857 0.773 1.00 0.00 H new ATOM 190 N THR A 12 -13.134 1.346 4.506 1.00 0.00 N ATOM 191 CA THR A 12 -13.007 0.374 5.628 1.00 0.00 C ATOM 192 C THR A 12 -11.888 0.813 6.575 1.00 0.00 C ATOM 193 O THR A 12 -11.936 0.555 7.764 1.00 0.00 O ATOM 194 CB THR A 12 -12.657 -0.957 4.962 1.00 0.00 C ATOM 195 OG1 THR A 12 -13.498 -1.156 3.834 1.00 0.00 O ATOM 196 CG2 THR A 12 -12.859 -2.099 5.959 1.00 0.00 C ATOM 0 H THR A 12 -12.437 1.248 3.768 1.00 0.00 H new ATOM 0 HA THR A 12 -13.918 0.302 6.222 1.00 0.00 H new ATOM 0 HB THR A 12 -11.615 -0.939 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.274 -2.008 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.609 -3.047 5.482 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.213 -1.946 6.823 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.900 -2.119 6.283 1.00 0.00 H new ATOM 204 N LEU A 13 -10.881 1.475 6.058 1.00 0.00 N ATOM 205 CA LEU A 13 -9.756 1.931 6.932 1.00 0.00 C ATOM 206 C LEU A 13 -9.298 3.336 6.528 1.00 0.00 C ATOM 207 O LEU A 13 -9.639 3.828 5.469 1.00 0.00 O ATOM 208 CB LEU A 13 -8.637 0.915 6.702 1.00 0.00 C ATOM 209 CG LEU A 13 -8.977 -0.391 7.421 1.00 0.00 C ATOM 210 CD1 LEU A 13 -8.004 -1.484 6.977 1.00 0.00 C ATOM 211 CD2 LEU A 13 -8.856 -0.185 8.932 1.00 0.00 C ATOM 0 H LEU A 13 -10.790 1.718 5.072 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.049 1.986 7.981 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.511 0.733 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.691 1.310 7.072 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.996 -0.689 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.245 -2.416 7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.087 -1.630 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.985 -1.187 7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.098 -1.115 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.836 0.111 9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.547 0.596 9.249 1.00 0.00 H new ATOM 223 N LYS A 14 -8.525 3.979 7.367 1.00 0.00 N ATOM 224 CA LYS A 14 -8.035 5.353 7.043 1.00 0.00 C ATOM 225 C LYS A 14 -6.682 5.605 7.716 1.00 0.00 C ATOM 226 O LYS A 14 -6.506 5.336 8.890 1.00 0.00 O ATOM 227 CB LYS A 14 -9.097 6.297 7.608 1.00 0.00 C ATOM 228 CG LYS A 14 -9.257 7.499 6.675 1.00 0.00 C ATOM 229 CD LYS A 14 -10.208 8.516 7.310 1.00 0.00 C ATOM 230 CE LYS A 14 -11.650 8.179 6.923 1.00 0.00 C ATOM 231 NZ LYS A 14 -12.493 8.940 7.886 1.00 0.00 N ATOM 0 H LYS A 14 -8.212 3.610 8.265 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.890 5.497 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.047 5.773 7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.809 6.632 8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.287 7.960 6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.646 7.174 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.099 8.504 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.957 9.523 6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.862 8.472 5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.838 7.108 6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.498 8.761 7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.274 8.635 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.297 9.957 7.791 1.00 0.00 H new ATOM 245 N GLY A 15 -5.727 6.118 6.981 1.00 0.00 N ATOM 246 CA GLY A 15 -4.385 6.391 7.570 1.00 0.00 C ATOM 247 C GLY A 15 -3.299 5.830 6.650 1.00 0.00 C ATOM 248 O GLY A 15 -3.329 6.028 5.450 1.00 0.00 O ATOM 0 H GLY A 15 -5.822 6.360 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.246 7.464 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.310 5.936 8.558 1.00 0.00 H new ATOM 252 N GLU A 16 -2.341 5.133 7.205 1.00 0.00 N ATOM 253 CA GLU A 16 -1.246 4.554 6.369 1.00 0.00 C ATOM 254 C GLU A 16 -0.511 3.452 7.139 1.00 0.00 C ATOM 255 O GLU A 16 -0.578 3.380 8.352 1.00 0.00 O ATOM 256 CB GLU A 16 -0.302 5.724 6.066 1.00 0.00 C ATOM 257 CG GLU A 16 0.207 6.345 7.373 1.00 0.00 C ATOM 258 CD GLU A 16 1.658 6.795 7.195 1.00 0.00 C ATOM 259 OE1 GLU A 16 1.862 7.896 6.712 1.00 0.00 O ATOM 260 OE2 GLU A 16 2.542 6.029 7.545 1.00 0.00 O ATOM 0 H GLU A 16 -2.270 4.939 8.204 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.629 4.099 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.540 5.376 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.823 6.478 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.417 7.195 7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.137 5.620 8.184 1.00 0.00 H new ATOM 267 N THR A 17 0.189 2.595 6.439 1.00 0.00 N ATOM 268 CA THR A 17 0.934 1.493 7.118 1.00 0.00 C ATOM 269 C THR A 17 2.290 1.280 6.440 1.00 0.00 C ATOM 270 O THR A 17 2.415 1.392 5.235 1.00 0.00 O ATOM 271 CB THR A 17 0.049 0.257 6.952 1.00 0.00 C ATOM 272 OG1 THR A 17 -1.244 0.530 7.475 1.00 0.00 O ATOM 273 CG2 THR A 17 0.667 -0.922 7.703 1.00 0.00 C ATOM 0 H THR A 17 0.276 2.612 5.423 1.00 0.00 H new ATOM 0 HA THR A 17 1.134 1.711 8.167 1.00 0.00 H new ATOM 0 HB THR A 17 -0.031 0.007 5.894 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.814 -0.260 7.368 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.034 -1.802 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.658 -1.130 7.301 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.750 -0.676 8.762 1.00 0.00 H new ATOM 281 N THR A 18 3.306 0.976 7.208 1.00 0.00 N ATOM 282 CA THR A 18 4.659 0.757 6.617 1.00 0.00 C ATOM 283 C THR A 18 5.181 -0.636 6.980 1.00 0.00 C ATOM 284 O THR A 18 4.856 -1.177 8.020 1.00 0.00 O ATOM 285 CB THR A 18 5.542 1.838 7.241 1.00 0.00 C ATOM 286 OG1 THR A 18 5.480 1.736 8.657 1.00 0.00 O ATOM 287 CG2 THR A 18 5.049 3.218 6.805 1.00 0.00 C ATOM 0 H THR A 18 3.255 0.870 8.221 1.00 0.00 H new ATOM 0 HA THR A 18 4.647 0.816 5.529 1.00 0.00 H new ATOM 0 HB THR A 18 6.572 1.703 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.047 2.427 9.060 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.680 3.987 7.251 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.096 3.295 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.019 3.357 7.134 1.00 0.00 H new ATOM 295 N THR A 19 5.989 -1.214 6.129 1.00 0.00 N ATOM 296 CA THR A 19 6.542 -2.572 6.414 1.00 0.00 C ATOM 297 C THR A 19 7.984 -2.674 5.908 1.00 0.00 C ATOM 298 O THR A 19 8.574 -1.694 5.491 1.00 0.00 O ATOM 299 CB THR A 19 5.630 -3.549 5.661 1.00 0.00 C ATOM 300 OG1 THR A 19 6.097 -4.876 5.861 1.00 0.00 O ATOM 301 CG2 THR A 19 5.633 -3.229 4.162 1.00 0.00 C ATOM 0 H THR A 19 6.291 -0.802 5.246 1.00 0.00 H new ATOM 0 HA THR A 19 6.567 -2.789 7.482 1.00 0.00 H new ATOM 0 HB THR A 19 4.613 -3.452 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.515 -5.503 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.982 -3.930 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.272 -2.212 4.006 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.647 -3.317 3.773 1.00 0.00 H new ATOM 309 N GLU A 20 8.551 -3.852 5.942 1.00 0.00 N ATOM 310 CA GLU A 20 9.955 -4.028 5.464 1.00 0.00 C ATOM 311 C GLU A 20 9.980 -4.915 4.217 1.00 0.00 C ATOM 312 O GLU A 20 9.767 -6.110 4.290 1.00 0.00 O ATOM 313 CB GLU A 20 10.685 -4.707 6.623 1.00 0.00 C ATOM 314 CG GLU A 20 10.941 -3.684 7.732 1.00 0.00 C ATOM 315 CD GLU A 20 11.402 -4.407 8.999 1.00 0.00 C ATOM 316 OE1 GLU A 20 12.194 -5.327 8.879 1.00 0.00 O ATOM 317 OE2 GLU A 20 10.956 -4.027 10.070 1.00 0.00 O ATOM 0 H GLU A 20 8.101 -4.702 6.281 1.00 0.00 H new ATOM 0 HA GLU A 20 10.421 -3.082 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.089 -5.535 7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.629 -5.128 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.699 -2.968 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.032 -3.117 7.935 1.00 0.00 H new ATOM 324 N ALA A 21 10.237 -4.333 3.073 1.00 0.00 N ATOM 325 CA ALA A 21 10.278 -5.131 1.811 1.00 0.00 C ATOM 326 C ALA A 21 11.531 -4.779 1.007 1.00 0.00 C ATOM 327 O ALA A 21 11.997 -3.656 1.034 1.00 0.00 O ATOM 328 CB ALA A 21 9.017 -4.723 1.041 1.00 0.00 C ATOM 0 H ALA A 21 10.421 -3.336 2.959 1.00 0.00 H new ATOM 0 HA ALA A 21 10.310 -6.204 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.974 -5.268 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.135 -4.958 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.044 -3.652 0.840 1.00 0.00 H new ATOM 334 N VAL A 22 12.073 -5.728 0.287 1.00 0.00 N ATOM 335 CA VAL A 22 13.292 -5.444 -0.530 1.00 0.00 C ATOM 336 C VAL A 22 12.945 -4.445 -1.640 1.00 0.00 C ATOM 337 O VAL A 22 13.762 -3.640 -2.044 1.00 0.00 O ATOM 338 CB VAL A 22 13.725 -6.799 -1.113 1.00 0.00 C ATOM 339 CG1 VAL A 22 12.626 -7.369 -2.018 1.00 0.00 C ATOM 340 CG2 VAL A 22 15.006 -6.613 -1.930 1.00 0.00 C ATOM 0 H VAL A 22 11.725 -6.685 0.229 1.00 0.00 H new ATOM 0 HA VAL A 22 14.095 -5.000 0.058 1.00 0.00 H new ATOM 0 HB VAL A 22 13.903 -7.494 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.949 -8.328 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.713 -7.508 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.434 -6.676 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.316 -7.572 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.821 -5.909 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.795 -6.225 -1.286 1.00 0.00 H new ATOM 350 N ASP A 23 11.727 -4.491 -2.126 1.00 0.00 N ATOM 351 CA ASP A 23 11.298 -3.547 -3.205 1.00 0.00 C ATOM 352 C ASP A 23 9.794 -3.698 -3.465 1.00 0.00 C ATOM 353 O ASP A 23 9.106 -4.420 -2.770 1.00 0.00 O ATOM 354 CB ASP A 23 12.100 -3.949 -4.444 1.00 0.00 C ATOM 355 CG ASP A 23 12.303 -2.728 -5.346 1.00 0.00 C ATOM 356 OD1 ASP A 23 11.427 -1.879 -5.370 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.332 -2.664 -5.998 1.00 0.00 O ATOM 0 H ASP A 23 11.008 -5.146 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 23 11.476 -2.506 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.066 -4.358 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.576 -4.733 -4.990 1.00 0.00 H new ATOM 362 N ALA A 24 9.280 -3.010 -4.456 1.00 0.00 N ATOM 363 CA ALA A 24 7.818 -3.093 -4.767 1.00 0.00 C ATOM 364 C ALA A 24 7.372 -4.550 -4.948 1.00 0.00 C ATOM 365 O ALA A 24 6.215 -4.878 -4.764 1.00 0.00 O ATOM 366 CB ALA A 24 7.640 -2.317 -6.074 1.00 0.00 C ATOM 0 H ALA A 24 9.814 -2.391 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 24 7.214 -2.683 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.590 -2.334 -6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.961 -1.285 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.242 -2.779 -6.856 1.00 0.00 H new ATOM 372 N ALA A 25 8.281 -5.421 -5.308 1.00 0.00 N ATOM 373 CA ALA A 25 7.913 -6.859 -5.505 1.00 0.00 C ATOM 374 C ALA A 25 7.340 -7.445 -4.211 1.00 0.00 C ATOM 375 O ALA A 25 6.419 -8.240 -4.236 1.00 0.00 O ATOM 376 CB ALA A 25 9.219 -7.563 -5.879 1.00 0.00 C ATOM 0 H ALA A 25 9.263 -5.200 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 25 7.151 -6.983 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.027 -8.624 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.620 -7.125 -6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.941 -7.443 -5.072 1.00 0.00 H new ATOM 382 N THR A 26 7.880 -7.057 -3.083 1.00 0.00 N ATOM 383 CA THR A 26 7.373 -7.590 -1.782 1.00 0.00 C ATOM 384 C THR A 26 6.450 -6.569 -1.109 1.00 0.00 C ATOM 385 O THR A 26 5.559 -6.926 -0.361 1.00 0.00 O ATOM 386 CB THR A 26 8.625 -7.820 -0.935 1.00 0.00 C ATOM 387 OG1 THR A 26 9.631 -8.425 -1.736 1.00 0.00 O ATOM 388 CG2 THR A 26 8.286 -8.736 0.242 1.00 0.00 C ATOM 0 H THR A 26 8.651 -6.393 -3.007 1.00 0.00 H new ATOM 0 HA THR A 26 6.792 -8.503 -1.910 1.00 0.00 H new ATOM 0 HB THR A 26 8.988 -6.865 -0.555 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.100 -9.107 -1.212 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.179 -8.899 0.845 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.514 -8.270 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.922 -9.692 -0.134 1.00 0.00 H new ATOM 396 N ALA A 27 6.658 -5.303 -1.369 1.00 0.00 N ATOM 397 CA ALA A 27 5.794 -4.253 -0.744 1.00 0.00 C ATOM 398 C ALA A 27 4.336 -4.439 -1.175 1.00 0.00 C ATOM 399 O ALA A 27 3.465 -4.674 -0.359 1.00 0.00 O ATOM 400 CB ALA A 27 6.338 -2.919 -1.260 1.00 0.00 C ATOM 0 H ALA A 27 7.389 -4.950 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 27 5.814 -4.304 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.751 -2.101 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.380 -2.810 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.271 -2.895 -2.348 1.00 0.00 H new ATOM 406 N GLU A 28 4.069 -4.334 -2.452 1.00 0.00 N ATOM 407 CA GLU A 28 2.666 -4.503 -2.946 1.00 0.00 C ATOM 408 C GLU A 28 2.148 -5.900 -2.601 1.00 0.00 C ATOM 409 O GLU A 28 0.995 -6.072 -2.267 1.00 0.00 O ATOM 410 CB GLU A 28 2.745 -4.320 -4.464 1.00 0.00 C ATOM 411 CG GLU A 28 1.333 -4.161 -5.033 1.00 0.00 C ATOM 412 CD GLU A 28 1.397 -4.127 -6.561 1.00 0.00 C ATOM 413 OE1 GLU A 28 1.480 -5.190 -7.154 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.362 -3.039 -7.112 1.00 0.00 O ATOM 0 H GLU A 28 4.761 -4.139 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 28 1.983 -3.788 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.346 -3.443 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.238 -5.179 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.702 -4.987 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.880 -3.244 -4.657 1.00 0.00 H new ATOM 421 N LYS A 29 2.994 -6.898 -2.675 1.00 0.00 N ATOM 422 CA LYS A 29 2.548 -8.291 -2.346 1.00 0.00 C ATOM 423 C LYS A 29 1.989 -8.350 -0.920 1.00 0.00 C ATOM 424 O LYS A 29 0.962 -8.954 -0.671 1.00 0.00 O ATOM 425 CB LYS A 29 3.805 -9.154 -2.464 1.00 0.00 C ATOM 426 CG LYS A 29 3.410 -10.632 -2.517 1.00 0.00 C ATOM 427 CD LYS A 29 4.598 -11.459 -3.014 1.00 0.00 C ATOM 428 CE LYS A 29 4.331 -12.944 -2.758 1.00 0.00 C ATOM 429 NZ LYS A 29 3.662 -13.433 -3.996 1.00 0.00 N ATOM 0 H LYS A 29 3.973 -6.810 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 29 1.756 -8.634 -3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.361 -8.883 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.463 -8.973 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.104 -10.973 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.556 -10.768 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.755 -11.285 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.509 -11.149 -2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.258 -13.485 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.696 -13.086 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.447 -14.446 -3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.779 -12.904 -4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.293 -13.291 -4.811 1.00 0.00 H new ATOM 443 N VAL A 30 2.656 -7.719 0.012 1.00 0.00 N ATOM 444 CA VAL A 30 2.170 -7.725 1.425 1.00 0.00 C ATOM 445 C VAL A 30 1.055 -6.689 1.595 1.00 0.00 C ATOM 446 O VAL A 30 0.030 -6.960 2.193 1.00 0.00 O ATOM 447 CB VAL A 30 3.393 -7.349 2.269 1.00 0.00 C ATOM 448 CG1 VAL A 30 3.005 -7.281 3.749 1.00 0.00 C ATOM 449 CG2 VAL A 30 4.485 -8.405 2.081 1.00 0.00 C ATOM 0 H VAL A 30 3.519 -7.198 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 30 1.758 -8.690 1.721 1.00 0.00 H new ATOM 0 HB VAL A 30 3.762 -6.375 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.879 -7.013 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.228 -6.529 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.631 -8.252 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.356 -8.139 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.109 -9.378 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.769 -8.451 1.030 1.00 0.00 H new ATOM 459 N PHE A 31 1.253 -5.504 1.077 1.00 0.00 N ATOM 460 CA PHE A 31 0.210 -4.443 1.209 1.00 0.00 C ATOM 461 C PHE A 31 -1.065 -4.858 0.472 1.00 0.00 C ATOM 462 O PHE A 31 -2.161 -4.540 0.894 1.00 0.00 O ATOM 463 CB PHE A 31 0.822 -3.188 0.581 1.00 0.00 C ATOM 464 CG PHE A 31 1.719 -2.499 1.588 1.00 0.00 C ATOM 465 CD1 PHE A 31 1.242 -2.206 2.874 1.00 0.00 C ATOM 466 CD2 PHE A 31 3.027 -2.150 1.234 1.00 0.00 C ATOM 467 CE1 PHE A 31 2.072 -1.567 3.801 1.00 0.00 C ATOM 468 CE2 PHE A 31 3.857 -1.510 2.162 1.00 0.00 C ATOM 469 CZ PHE A 31 3.379 -1.218 3.446 1.00 0.00 C ATOM 0 H PHE A 31 2.092 -5.225 0.568 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.071 -4.271 2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.395 -3.456 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.033 -2.509 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.233 -2.474 3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.396 -2.375 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.703 -1.343 4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.866 -1.241 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.019 -0.724 4.161 1.00 0.00 H new ATOM 479 N LYS A 32 -0.933 -5.578 -0.615 1.00 0.00 N ATOM 480 CA LYS A 32 -2.147 -6.027 -1.363 1.00 0.00 C ATOM 481 C LYS A 32 -2.951 -6.981 -0.477 1.00 0.00 C ATOM 482 O LYS A 32 -4.156 -6.866 -0.359 1.00 0.00 O ATOM 483 CB LYS A 32 -1.623 -6.750 -2.609 1.00 0.00 C ATOM 484 CG LYS A 32 -2.800 -7.268 -3.448 1.00 0.00 C ATOM 485 CD LYS A 32 -2.998 -6.369 -4.671 1.00 0.00 C ATOM 486 CE LYS A 32 -4.373 -6.637 -5.287 1.00 0.00 C ATOM 487 NZ LYS A 32 -4.142 -7.717 -6.287 1.00 0.00 N ATOM 0 H LYS A 32 -0.042 -5.873 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.801 -5.200 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.012 -6.071 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.982 -7.581 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.609 -8.293 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.709 -7.285 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.916 -5.321 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.216 -6.560 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.092 -6.948 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.776 -5.741 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.040 -7.957 -6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.459 -7.390 -7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.765 -8.559 -5.807 1.00 0.00 H new ATOM 501 N GLN A 33 -2.281 -7.909 0.164 1.00 0.00 N ATOM 502 CA GLN A 33 -2.995 -8.863 1.068 1.00 0.00 C ATOM 503 C GLN A 33 -3.630 -8.085 2.217 1.00 0.00 C ATOM 504 O GLN A 33 -4.696 -8.416 2.701 1.00 0.00 O ATOM 505 CB GLN A 33 -1.918 -9.818 1.588 1.00 0.00 C ATOM 506 CG GLN A 33 -2.562 -10.875 2.488 1.00 0.00 C ATOM 507 CD GLN A 33 -2.886 -12.121 1.662 1.00 0.00 C ATOM 508 OE1 GLN A 33 -2.011 -12.911 1.365 1.00 0.00 O ATOM 509 NE2 GLN A 33 -4.114 -12.333 1.276 1.00 0.00 N ATOM 0 H GLN A 33 -1.272 -8.046 0.100 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.791 -9.408 0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.409 -10.298 0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.163 -9.263 2.145 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.887 -11.132 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.472 -10.478 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.848 -11.670 1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.340 -13.161 0.725 1.00 0.00 H new ATOM 518 N TYR A 34 -2.980 -7.037 2.631 1.00 0.00 N ATOM 519 CA TYR A 34 -3.523 -6.185 3.732 1.00 0.00 C ATOM 520 C TYR A 34 -4.833 -5.541 3.249 1.00 0.00 C ATOM 521 O TYR A 34 -5.869 -5.670 3.875 1.00 0.00 O ATOM 522 CB TYR A 34 -2.407 -5.144 3.998 1.00 0.00 C ATOM 523 CG TYR A 34 -2.967 -3.844 4.541 1.00 0.00 C ATOM 524 CD1 TYR A 34 -3.241 -3.720 5.904 1.00 0.00 C ATOM 525 CD2 TYR A 34 -3.212 -2.774 3.674 1.00 0.00 C ATOM 526 CE1 TYR A 34 -3.762 -2.521 6.406 1.00 0.00 C ATOM 527 CE2 TYR A 34 -3.733 -1.575 4.171 1.00 0.00 C ATOM 528 CZ TYR A 34 -4.009 -1.448 5.539 1.00 0.00 C ATOM 529 OH TYR A 34 -4.523 -0.266 6.033 1.00 0.00 O ATOM 0 H TYR A 34 -2.085 -6.727 2.252 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.764 -6.727 4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.689 -5.555 4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.865 -4.948 3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.051 -4.548 6.571 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.999 -2.874 2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.973 -2.423 7.461 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.922 -0.749 3.502 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.138 -0.086 6.916 1.00 0.00 H new ATOM 539 N ALA A 35 -4.781 -4.855 2.138 1.00 0.00 N ATOM 540 CA ALA A 35 -6.008 -4.200 1.596 1.00 0.00 C ATOM 541 C ALA A 35 -7.062 -5.258 1.260 1.00 0.00 C ATOM 542 O ALA A 35 -8.229 -5.101 1.566 1.00 0.00 O ATOM 543 CB ALA A 35 -5.550 -3.478 0.329 1.00 0.00 C ATOM 0 H ALA A 35 -3.938 -4.720 1.580 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.460 -3.513 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.400 -2.971 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.784 -2.745 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.139 -4.202 -0.374 1.00 0.00 H new ATOM 549 N ASN A 36 -6.657 -6.333 0.631 1.00 0.00 N ATOM 550 CA ASN A 36 -7.626 -7.410 0.267 1.00 0.00 C ATOM 551 C ASN A 36 -8.333 -7.941 1.519 1.00 0.00 C ATOM 552 O ASN A 36 -9.500 -8.282 1.485 1.00 0.00 O ATOM 553 CB ASN A 36 -6.785 -8.516 -0.379 1.00 0.00 C ATOM 554 CG ASN A 36 -6.878 -8.410 -1.903 1.00 0.00 C ATOM 555 OD1 ASN A 36 -7.932 -8.138 -2.441 1.00 0.00 O ATOM 556 ND2 ASN A 36 -5.810 -8.614 -2.626 1.00 0.00 N ATOM 0 H ASN A 36 -5.692 -6.511 0.353 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.402 -7.044 -0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.746 -8.429 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.138 -9.494 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.861 -8.545 -3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.924 -8.842 -2.174 1.00 0.00 H new ATOM 563 N ASP A 37 -7.629 -8.011 2.621 1.00 0.00 N ATOM 564 CA ASP A 37 -8.253 -8.519 3.883 1.00 0.00 C ATOM 565 C ASP A 37 -9.418 -7.614 4.293 1.00 0.00 C ATOM 566 O ASP A 37 -10.472 -8.083 4.680 1.00 0.00 O ATOM 567 CB ASP A 37 -7.142 -8.468 4.934 1.00 0.00 C ATOM 568 CG ASP A 37 -7.301 -9.642 5.902 1.00 0.00 C ATOM 569 OD1 ASP A 37 -8.312 -9.689 6.583 1.00 0.00 O ATOM 570 OD2 ASP A 37 -6.410 -10.474 5.945 1.00 0.00 O ATOM 0 H ASP A 37 -6.649 -7.739 2.702 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.652 -9.526 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.166 -8.512 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.185 -7.525 5.479 1.00 0.00 H new ATOM 575 N ASN A 38 -9.233 -6.322 4.206 1.00 0.00 N ATOM 576 CA ASN A 38 -10.324 -5.376 4.584 1.00 0.00 C ATOM 577 C ASN A 38 -11.275 -5.177 3.401 1.00 0.00 C ATOM 578 O ASN A 38 -12.481 -5.158 3.560 1.00 0.00 O ATOM 579 CB ASN A 38 -9.612 -4.068 4.931 1.00 0.00 C ATOM 580 CG ASN A 38 -8.755 -4.272 6.181 1.00 0.00 C ATOM 581 OD1 ASN A 38 -9.273 -4.436 7.267 1.00 0.00 O ATOM 582 ND2 ASN A 38 -7.454 -4.268 6.073 1.00 0.00 N ATOM 0 H ASN A 38 -8.370 -5.880 3.888 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.924 -5.743 5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.987 -3.749 4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.343 -3.278 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.873 -4.403 6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.018 -4.130 5.161 1.00 0.00 H new ATOM 589 N GLY A 39 -10.736 -5.034 2.217 1.00 0.00 N ATOM 590 CA GLY A 39 -11.599 -4.842 1.015 1.00 0.00 C ATOM 591 C GLY A 39 -11.297 -3.487 0.371 1.00 0.00 C ATOM 592 O GLY A 39 -12.197 -2.735 0.048 1.00 0.00 O ATOM 0 H GLY A 39 -9.733 -5.042 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.422 -5.643 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.650 -4.894 1.299 1.00 0.00 H new ATOM 596 N ILE A 40 -10.039 -3.171 0.179 1.00 0.00 N ATOM 597 CA ILE A 40 -9.682 -1.863 -0.450 1.00 0.00 C ATOM 598 C ILE A 40 -9.432 -2.049 -1.950 1.00 0.00 C ATOM 599 O ILE A 40 -8.341 -1.820 -2.439 1.00 0.00 O ATOM 600 CB ILE A 40 -8.411 -1.395 0.276 1.00 0.00 C ATOM 601 CG1 ILE A 40 -8.753 -1.140 1.749 1.00 0.00 C ATOM 602 CG2 ILE A 40 -7.885 -0.097 -0.364 1.00 0.00 C ATOM 603 CD1 ILE A 40 -7.493 -0.751 2.529 1.00 0.00 C ATOM 0 H ILE A 40 -9.246 -3.762 0.430 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.481 -1.127 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.640 -2.162 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.495 -0.345 1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.198 -2.034 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.984 0.227 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.652 -0.277 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.646 0.680 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.752 -0.573 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.764 -1.559 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.066 0.156 2.101 1.00 0.00 H new ATOM 615 N ASP A 41 -10.442 -2.443 -2.683 1.00 0.00 N ATOM 616 CA ASP A 41 -10.277 -2.621 -4.156 1.00 0.00 C ATOM 617 C ASP A 41 -10.421 -1.260 -4.842 1.00 0.00 C ATOM 618 O ASP A 41 -11.295 -1.054 -5.663 1.00 0.00 O ATOM 619 CB ASP A 41 -11.407 -3.564 -4.574 1.00 0.00 C ATOM 620 CG ASP A 41 -11.076 -4.988 -4.126 1.00 0.00 C ATOM 621 OD1 ASP A 41 -10.810 -5.172 -2.950 1.00 0.00 O ATOM 622 OD2 ASP A 41 -11.093 -5.872 -4.968 1.00 0.00 O ATOM 0 H ASP A 41 -11.374 -2.649 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.303 -3.026 -4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.348 -3.241 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.539 -3.533 -5.656 1.00 0.00 H new ATOM 627 N GLY A 42 -9.575 -0.327 -4.489 1.00 0.00 N ATOM 628 CA GLY A 42 -9.652 1.034 -5.087 1.00 0.00 C ATOM 629 C GLY A 42 -8.780 1.107 -6.337 1.00 0.00 C ATOM 630 O GLY A 42 -8.721 0.183 -7.125 1.00 0.00 O ATOM 0 H GLY A 42 -8.828 -0.454 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.685 1.270 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.324 1.778 -4.361 1.00 0.00 H new ATOM 634 N GLU A 43 -8.095 2.205 -6.507 1.00 0.00 N ATOM 635 CA GLU A 43 -7.207 2.370 -7.679 1.00 0.00 C ATOM 636 C GLU A 43 -5.777 2.557 -7.188 1.00 0.00 C ATOM 637 O GLU A 43 -5.412 3.607 -6.694 1.00 0.00 O ATOM 638 CB GLU A 43 -7.711 3.619 -8.403 1.00 0.00 C ATOM 639 CG GLU A 43 -9.131 3.373 -8.914 1.00 0.00 C ATOM 640 CD GLU A 43 -9.509 4.465 -9.917 1.00 0.00 C ATOM 641 OE1 GLU A 43 -8.663 4.823 -10.720 1.00 0.00 O ATOM 642 OE2 GLU A 43 -10.637 4.926 -9.863 1.00 0.00 O ATOM 0 H GLU A 43 -8.117 3.002 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.216 1.508 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.699 4.474 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.050 3.862 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.194 2.393 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.834 3.371 -8.081 1.00 0.00 H new ATOM 649 N TRP A 44 -4.984 1.529 -7.285 1.00 0.00 N ATOM 650 CA TRP A 44 -3.589 1.609 -6.787 1.00 0.00 C ATOM 651 C TRP A 44 -2.710 2.487 -7.670 1.00 0.00 C ATOM 652 O TRP A 44 -2.810 2.489 -8.882 1.00 0.00 O ATOM 653 CB TRP A 44 -3.080 0.173 -6.778 1.00 0.00 C ATOM 654 CG TRP A 44 -3.741 -0.542 -5.652 1.00 0.00 C ATOM 655 CD1 TRP A 44 -5.028 -0.959 -5.647 1.00 0.00 C ATOM 656 CD2 TRP A 44 -3.182 -0.908 -4.360 1.00 0.00 C ATOM 657 NE1 TRP A 44 -5.292 -1.564 -4.433 1.00 0.00 N ATOM 658 CE2 TRP A 44 -4.185 -1.556 -3.606 1.00 0.00 C ATOM 659 CE3 TRP A 44 -1.913 -0.744 -3.776 1.00 0.00 C ATOM 660 CZ2 TRP A 44 -3.941 -2.022 -2.318 1.00 0.00 C ATOM 661 CZ3 TRP A 44 -1.663 -1.215 -2.478 1.00 0.00 C ATOM 662 CH2 TRP A 44 -2.676 -1.852 -1.750 1.00 0.00 C ATOM 0 H TRP A 44 -5.246 0.631 -7.691 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.557 2.066 -5.798 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.305 -0.317 -7.725 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.997 0.153 -6.658 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.732 -0.839 -6.457 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.194 -1.967 -4.178 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.127 -0.253 -4.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.725 -2.512 -1.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.685 -1.086 -2.038 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.479 -2.211 -0.751 1.00 0.00 H new ATOM 673 N THR A 45 -1.831 3.211 -7.043 1.00 0.00 N ATOM 674 CA THR A 45 -0.889 4.091 -7.778 1.00 0.00 C ATOM 675 C THR A 45 0.393 4.197 -6.961 1.00 0.00 C ATOM 676 O THR A 45 0.357 4.420 -5.764 1.00 0.00 O ATOM 677 CB THR A 45 -1.576 5.450 -7.889 1.00 0.00 C ATOM 678 OG1 THR A 45 -2.262 5.737 -6.679 1.00 0.00 O ATOM 679 CG2 THR A 45 -2.570 5.430 -9.051 1.00 0.00 C ATOM 0 H THR A 45 -1.724 3.230 -6.029 1.00 0.00 H new ATOM 0 HA THR A 45 -0.637 3.712 -8.769 1.00 0.00 H new ATOM 0 HB THR A 45 -0.826 6.220 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.701 6.610 -6.751 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.059 6.401 -9.128 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.040 5.216 -9.979 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.320 4.659 -8.875 1.00 0.00 H new ATOM 687 N TYR A 46 1.516 4.012 -7.588 1.00 0.00 N ATOM 688 CA TYR A 46 2.807 4.070 -6.846 1.00 0.00 C ATOM 689 C TYR A 46 3.578 5.340 -7.228 1.00 0.00 C ATOM 690 O TYR A 46 3.867 5.579 -8.385 1.00 0.00 O ATOM 691 CB TYR A 46 3.540 2.790 -7.289 1.00 0.00 C ATOM 692 CG TYR A 46 5.005 2.822 -6.900 1.00 0.00 C ATOM 693 CD1 TYR A 46 5.412 2.380 -5.635 1.00 0.00 C ATOM 694 CD2 TYR A 46 5.956 3.278 -7.821 1.00 0.00 C ATOM 695 CE1 TYR A 46 6.767 2.394 -5.293 1.00 0.00 C ATOM 696 CE2 TYR A 46 7.311 3.295 -7.477 1.00 0.00 C ATOM 697 CZ TYR A 46 7.717 2.853 -6.214 1.00 0.00 C ATOM 698 OH TYR A 46 9.054 2.863 -5.880 1.00 0.00 O ATOM 0 H TYR A 46 1.599 3.822 -8.587 1.00 0.00 H new ATOM 0 HA TYR A 46 2.690 4.114 -5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.062 1.921 -6.836 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.452 2.675 -8.369 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.679 2.028 -4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.643 3.617 -8.797 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.082 2.051 -4.318 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.044 3.649 -8.187 1.00 0.00 H new ATOM 0 HH TYR A 46 9.577 3.210 -6.633 1.00 0.00 H new ATOM 708 N ASP A 47 3.916 6.145 -6.255 1.00 0.00 N ATOM 709 CA ASP A 47 4.675 7.397 -6.539 1.00 0.00 C ATOM 710 C ASP A 47 6.159 7.191 -6.213 1.00 0.00 C ATOM 711 O ASP A 47 6.522 6.906 -5.086 1.00 0.00 O ATOM 712 CB ASP A 47 4.048 8.469 -5.634 1.00 0.00 C ATOM 713 CG ASP A 47 4.240 8.107 -4.154 1.00 0.00 C ATOM 714 OD1 ASP A 47 4.135 6.937 -3.828 1.00 0.00 O ATOM 715 OD2 ASP A 47 4.490 9.011 -3.374 1.00 0.00 O ATOM 0 H ASP A 47 3.697 5.988 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 47 4.621 7.689 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.504 9.438 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.985 8.564 -5.856 1.00 0.00 H new ATOM 720 N ASP A 48 7.012 7.326 -7.196 1.00 0.00 N ATOM 721 CA ASP A 48 8.476 7.135 -6.958 1.00 0.00 C ATOM 722 C ASP A 48 9.051 8.297 -6.140 1.00 0.00 C ATOM 723 O ASP A 48 10.108 8.181 -5.549 1.00 0.00 O ATOM 724 CB ASP A 48 9.108 7.098 -8.350 1.00 0.00 C ATOM 725 CG ASP A 48 10.580 6.697 -8.231 1.00 0.00 C ATOM 726 OD1 ASP A 48 11.397 7.577 -8.015 1.00 0.00 O ATOM 727 OD2 ASP A 48 10.864 5.518 -8.357 1.00 0.00 O ATOM 0 H ASP A 48 6.758 7.561 -8.156 1.00 0.00 H new ATOM 0 HA ASP A 48 8.677 6.225 -6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.577 6.388 -8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.023 8.075 -8.826 1.00 0.00 H new ATOM 732 N ALA A 49 8.369 9.420 -6.102 1.00 0.00 N ATOM 733 CA ALA A 49 8.877 10.595 -5.325 1.00 0.00 C ATOM 734 C ALA A 49 9.217 10.192 -3.884 1.00 0.00 C ATOM 735 O ALA A 49 10.182 10.660 -3.311 1.00 0.00 O ATOM 736 CB ALA A 49 7.733 11.611 -5.337 1.00 0.00 C ATOM 0 H ALA A 49 7.480 9.572 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 49 9.791 11.000 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.032 12.502 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.499 11.883 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.852 11.172 -4.868 1.00 0.00 H new ATOM 742 N THR A 50 8.428 9.324 -3.303 1.00 0.00 N ATOM 743 CA THR A 50 8.697 8.882 -1.901 1.00 0.00 C ATOM 744 C THR A 50 8.271 7.420 -1.700 1.00 0.00 C ATOM 745 O THR A 50 8.115 6.966 -0.583 1.00 0.00 O ATOM 746 CB THR A 50 7.853 9.812 -1.027 1.00 0.00 C ATOM 747 OG1 THR A 50 6.485 9.690 -1.391 1.00 0.00 O ATOM 748 CG2 THR A 50 8.309 11.259 -1.228 1.00 0.00 C ATOM 0 H THR A 50 7.608 8.902 -3.739 1.00 0.00 H new ATOM 0 HA THR A 50 9.757 8.933 -1.653 1.00 0.00 H new ATOM 0 HB THR A 50 7.977 9.537 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.120 8.861 -1.018 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.707 11.920 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.358 11.352 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.187 11.537 -2.275 1.00 0.00 H new ATOM 756 N LYS A 51 8.086 6.676 -2.770 1.00 0.00 N ATOM 757 CA LYS A 51 7.673 5.237 -2.646 1.00 0.00 C ATOM 758 C LYS A 51 6.468 5.091 -1.707 1.00 0.00 C ATOM 759 O LYS A 51 6.623 4.856 -0.522 1.00 0.00 O ATOM 760 CB LYS A 51 8.899 4.516 -2.067 1.00 0.00 C ATOM 761 CG LYS A 51 9.397 3.462 -3.061 1.00 0.00 C ATOM 762 CD LYS A 51 10.550 4.042 -3.887 1.00 0.00 C ATOM 763 CE LYS A 51 11.744 4.325 -2.973 1.00 0.00 C ATOM 764 NZ LYS A 51 12.943 4.081 -3.822 1.00 0.00 N ATOM 0 H LYS A 51 8.204 7.006 -3.728 1.00 0.00 H new ATOM 0 HA LYS A 51 7.368 4.820 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.691 5.235 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.641 4.043 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.730 2.572 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.584 3.154 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.837 3.342 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.231 4.960 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.724 5.350 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.738 3.671 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.804 4.255 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.938 3.096 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.925 4.722 -4.641 1.00 0.00 H new ATOM 778 N THR A 52 5.275 5.228 -2.226 1.00 0.00 N ATOM 779 CA THR A 52 4.066 5.099 -1.359 1.00 0.00 C ATOM 780 C THR A 52 2.867 4.596 -2.170 1.00 0.00 C ATOM 781 O THR A 52 2.273 5.334 -2.933 1.00 0.00 O ATOM 782 CB THR A 52 3.809 6.517 -0.837 1.00 0.00 C ATOM 783 OG1 THR A 52 4.959 6.974 -0.138 1.00 0.00 O ATOM 784 CG2 THR A 52 2.604 6.518 0.108 1.00 0.00 C ATOM 0 H THR A 52 5.086 5.423 -3.209 1.00 0.00 H new ATOM 0 HA THR A 52 4.213 4.382 -0.552 1.00 0.00 H new ATOM 0 HB THR A 52 3.601 7.178 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.800 7.881 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.429 7.530 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.721 6.168 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.802 5.857 0.951 1.00 0.00 H new ATOM 792 N PHE A 53 2.496 3.349 -1.995 1.00 0.00 N ATOM 793 CA PHE A 53 1.317 2.803 -2.741 1.00 0.00 C ATOM 794 C PHE A 53 0.068 3.585 -2.337 1.00 0.00 C ATOM 795 O PHE A 53 -0.197 3.767 -1.162 1.00 0.00 O ATOM 796 CB PHE A 53 1.191 1.343 -2.301 1.00 0.00 C ATOM 797 CG PHE A 53 2.389 0.560 -2.777 1.00 0.00 C ATOM 798 CD1 PHE A 53 2.429 0.067 -4.085 1.00 0.00 C ATOM 799 CD2 PHE A 53 3.457 0.324 -1.905 1.00 0.00 C ATOM 800 CE1 PHE A 53 3.540 -0.665 -4.523 1.00 0.00 C ATOM 801 CE2 PHE A 53 4.569 -0.407 -2.342 1.00 0.00 C ATOM 802 CZ PHE A 53 4.610 -0.901 -3.652 1.00 0.00 C ATOM 0 H PHE A 53 2.957 2.688 -1.370 1.00 0.00 H new ATOM 0 HA PHE A 53 1.433 2.883 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.116 1.286 -1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.277 0.909 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.604 0.251 -4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.424 0.705 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.571 -1.047 -5.533 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.394 -0.590 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.467 -1.464 -3.990 1.00 0.00 H new ATOM 812 N THR A 54 -0.686 4.073 -3.288 1.00 0.00 N ATOM 813 CA THR A 54 -1.901 4.870 -2.925 1.00 0.00 C ATOM 814 C THR A 54 -3.192 4.270 -3.506 1.00 0.00 C ATOM 815 O THR A 54 -3.502 4.460 -4.667 1.00 0.00 O ATOM 816 CB THR A 54 -1.644 6.257 -3.519 1.00 0.00 C ATOM 817 OG1 THR A 54 -0.411 6.760 -3.023 1.00 0.00 O ATOM 818 CG2 THR A 54 -2.777 7.210 -3.128 1.00 0.00 C ATOM 0 H THR A 54 -0.519 3.958 -4.288 1.00 0.00 H new ATOM 0 HA THR A 54 -2.050 4.887 -1.845 1.00 0.00 H new ATOM 0 HB THR A 54 -1.600 6.180 -4.605 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.243 7.648 -3.403 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.587 8.195 -3.554 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.723 6.826 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.828 7.288 -2.042 1.00 0.00 H new ATOM 826 N VAL A 55 -3.968 3.582 -2.692 1.00 0.00 N ATOM 827 CA VAL A 55 -5.256 3.019 -3.183 1.00 0.00 C ATOM 828 C VAL A 55 -6.416 3.889 -2.678 1.00 0.00 C ATOM 829 O VAL A 55 -6.241 4.731 -1.814 1.00 0.00 O ATOM 830 CB VAL A 55 -5.364 1.577 -2.642 1.00 0.00 C ATOM 831 CG1 VAL A 55 -5.531 1.571 -1.125 1.00 0.00 C ATOM 832 CG2 VAL A 55 -6.578 0.893 -3.273 1.00 0.00 C ATOM 0 H VAL A 55 -3.758 3.391 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.299 3.007 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.447 1.045 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.605 0.543 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.670 2.053 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.438 2.113 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.659 -0.126 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.481 1.448 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.460 0.869 -4.356 1.00 0.00 H new ATOM 842 N THR A 56 -7.588 3.693 -3.213 1.00 0.00 N ATOM 843 CA THR A 56 -8.761 4.505 -2.785 1.00 0.00 C ATOM 844 C THR A 56 -10.064 3.789 -3.159 1.00 0.00 C ATOM 845 O THR A 56 -10.408 3.684 -4.322 1.00 0.00 O ATOM 846 CB THR A 56 -8.615 5.807 -3.570 1.00 0.00 C ATOM 847 OG1 THR A 56 -7.397 6.441 -3.206 1.00 0.00 O ATOM 848 CG2 THR A 56 -9.789 6.743 -3.264 1.00 0.00 C ATOM 0 H THR A 56 -7.785 2.999 -3.934 1.00 0.00 H new ATOM 0 HA THR A 56 -8.795 4.670 -1.708 1.00 0.00 H new ATOM 0 HB THR A 56 -8.610 5.582 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.062 6.051 -2.372 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.674 7.668 -3.829 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.724 6.259 -3.547 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.806 6.969 -2.198 1.00 0.00 H new ATOM 856 N GLU A 57 -10.787 3.305 -2.182 1.00 0.00 N ATOM 857 CA GLU A 57 -12.071 2.601 -2.473 1.00 0.00 C ATOM 858 C GLU A 57 -13.253 3.548 -2.245 1.00 0.00 C ATOM 859 O GLU A 57 -14.311 3.284 -2.791 1.00 0.00 O ATOM 860 CB GLU A 57 -12.120 1.437 -1.482 1.00 0.00 C ATOM 861 CG GLU A 57 -12.803 0.235 -2.139 1.00 0.00 C ATOM 862 CD GLU A 57 -14.271 0.566 -2.413 1.00 0.00 C ATOM 863 OE1 GLU A 57 -15.062 0.472 -1.489 1.00 0.00 O ATOM 864 OE2 GLU A 57 -14.580 0.908 -3.543 1.00 0.00 O ATOM 865 OXT GLU A 57 -13.078 4.520 -1.529 1.00 0.00 O ATOM 0 H GLU A 57 -10.543 3.367 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.130 2.258 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.111 1.169 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.664 1.732 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.297 -0.019 -3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.731 -0.637 -1.489 1.00 0.00 H new