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 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot -19:sc= 0.206 USER MOD Set 2.1: A 17 THR OG1 : rot 177:sc= -0.419 USER MOD Set 2.2: A 34 TYR OH : rot 30:sc= -0.0826 USER MOD Single : A 2 THR OG1 : rot 125:sc= 0.905 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -160:sc= -0.0822 USER MOD Single : A 26 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -115:sc= 0.707 (180deg=-0.11) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.12) USER MOD Single : A 36 ASN : amide:sc= -0.62 K(o=-0.62,f=-2.9!) USER MOD Single : A 38 ASN : amide:sc= -0.0569 K(o=-0.057,f=-3.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 46 TYR OH : rot 180:sc= -1.76 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.0653 (180deg=-0.222) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -11:sc= -0.228! USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 13.979 -1.298 0.654 1.00 0.00 N ATOM 21 CA THR A 2 13.061 -0.155 0.367 1.00 0.00 C ATOM 22 C THR A 2 11.785 -0.276 1.205 1.00 0.00 C ATOM 23 O THR A 2 10.986 -1.173 1.008 1.00 0.00 O ATOM 24 CB THR A 2 12.739 -0.272 -1.122 1.00 0.00 C ATOM 25 OG1 THR A 2 13.949 -0.300 -1.866 1.00 0.00 O ATOM 26 CG2 THR A 2 11.898 0.928 -1.557 1.00 0.00 C ATOM 0 HA THR A 2 13.510 0.807 0.613 1.00 0.00 H new ATOM 0 HB THR A 2 12.180 -1.190 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.970 -1.104 -2.427 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.668 0.845 -2.619 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.970 0.948 -0.985 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.455 1.847 -1.377 1.00 0.00 H new ATOM 34 N THR A 3 11.595 0.618 2.142 1.00 0.00 N ATOM 35 CA THR A 3 10.386 0.566 3.003 1.00 0.00 C ATOM 36 C THR A 3 9.234 1.354 2.370 1.00 0.00 C ATOM 37 O THR A 3 9.116 2.551 2.555 1.00 0.00 O ATOM 38 CB THR A 3 10.815 1.208 4.324 1.00 0.00 C ATOM 39 OG1 THR A 3 11.966 0.539 4.821 1.00 0.00 O ATOM 40 CG2 THR A 3 9.678 1.097 5.342 1.00 0.00 C ATOM 0 H THR A 3 12.234 1.386 2.345 1.00 0.00 H new ATOM 0 HA THR A 3 10.025 -0.454 3.139 1.00 0.00 H new ATOM 0 HB THR A 3 11.048 2.260 4.158 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.244 0.950 5.666 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.985 1.555 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.796 1.611 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.442 0.046 5.510 1.00 0.00 H new ATOM 48 N PHE A 4 8.381 0.688 1.631 1.00 0.00 N ATOM 49 CA PHE A 4 7.227 1.392 0.990 1.00 0.00 C ATOM 50 C PHE A 4 6.137 1.666 2.032 1.00 0.00 C ATOM 51 O PHE A 4 6.172 1.137 3.127 1.00 0.00 O ATOM 52 CB PHE A 4 6.706 0.425 -0.077 1.00 0.00 C ATOM 53 CG PHE A 4 7.727 0.271 -1.178 1.00 0.00 C ATOM 54 CD1 PHE A 4 7.821 1.236 -2.188 1.00 0.00 C ATOM 55 CD2 PHE A 4 8.573 -0.844 -1.193 1.00 0.00 C ATOM 56 CE1 PHE A 4 8.762 1.084 -3.213 1.00 0.00 C ATOM 57 CE2 PHE A 4 9.515 -0.993 -2.218 1.00 0.00 C ATOM 58 CZ PHE A 4 9.609 -0.029 -3.227 1.00 0.00 C ATOM 0 H PHE A 4 8.434 -0.313 1.444 1.00 0.00 H new ATOM 0 HA PHE A 4 7.518 2.351 0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.495 -0.545 0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.768 0.797 -0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.168 2.096 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.499 -1.589 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.834 1.827 -3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.169 -1.852 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.336 -0.144 -4.017 1.00 0.00 H new ATOM 68 N LYS A 5 5.170 2.484 1.697 1.00 0.00 N ATOM 69 CA LYS A 5 4.073 2.790 2.666 1.00 0.00 C ATOM 70 C LYS A 5 2.720 2.825 1.946 1.00 0.00 C ATOM 71 O LYS A 5 2.533 3.563 0.997 1.00 0.00 O ATOM 72 CB LYS A 5 4.419 4.168 3.233 1.00 0.00 C ATOM 73 CG LYS A 5 3.392 4.558 4.299 1.00 0.00 C ATOM 74 CD LYS A 5 3.298 6.082 4.385 1.00 0.00 C ATOM 75 CE LYS A 5 2.579 6.478 5.676 1.00 0.00 C ATOM 76 NZ LYS A 5 3.052 7.858 5.972 1.00 0.00 N ATOM 0 H LYS A 5 5.093 2.953 0.794 1.00 0.00 H new ATOM 0 HA LYS A 5 3.992 2.036 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.419 4.154 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.428 4.909 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.418 4.137 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.681 4.146 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.296 6.520 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.759 6.473 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.497 6.450 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.823 5.794 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.602 8.199 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.085 7.852 6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.800 8.488 5.184 1.00 0.00 H new ATOM 90 N LEU A 6 1.778 2.031 2.391 1.00 0.00 N ATOM 91 CA LEU A 6 0.434 2.013 1.736 1.00 0.00 C ATOM 92 C LEU A 6 -0.564 2.851 2.545 1.00 0.00 C ATOM 93 O LEU A 6 -0.783 2.605 3.717 1.00 0.00 O ATOM 94 CB LEU A 6 0.016 0.534 1.725 1.00 0.00 C ATOM 95 CG LEU A 6 -1.412 0.388 1.173 1.00 0.00 C ATOM 96 CD1 LEU A 6 -1.425 0.717 -0.322 1.00 0.00 C ATOM 97 CD2 LEU A 6 -1.897 -1.049 1.383 1.00 0.00 C ATOM 0 H LEU A 6 1.882 1.394 3.181 1.00 0.00 H new ATOM 0 HA LEU A 6 0.459 2.436 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.710 -0.043 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.066 0.127 2.735 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.073 1.077 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.439 0.612 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.083 1.741 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.762 0.032 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.909 -1.152 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.234 -1.737 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.894 -1.282 2.448 1.00 0.00 H new ATOM 109 N ILE A 7 -1.188 3.818 1.919 1.00 0.00 N ATOM 110 CA ILE A 7 -2.193 4.649 2.642 1.00 0.00 C ATOM 111 C ILE A 7 -3.472 3.816 2.823 1.00 0.00 C ATOM 112 O ILE A 7 -3.615 2.768 2.219 1.00 0.00 O ATOM 113 CB ILE A 7 -2.405 5.900 1.749 1.00 0.00 C ATOM 114 CG1 ILE A 7 -2.805 7.085 2.631 1.00 0.00 C ATOM 115 CG2 ILE A 7 -3.495 5.673 0.688 1.00 0.00 C ATOM 116 CD1 ILE A 7 -1.607 7.517 3.478 1.00 0.00 C ATOM 0 H ILE A 7 -1.044 4.066 0.940 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.881 4.959 3.639 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.468 6.102 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.144 7.915 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.639 6.807 3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.610 6.574 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.209 4.841 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.440 5.443 1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.891 8.361 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.288 6.687 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.786 7.812 2.824 1.00 0.00 H new ATOM 128 N ILE A 8 -4.395 4.264 3.633 1.00 0.00 N ATOM 129 CA ILE A 8 -5.648 3.477 3.825 1.00 0.00 C ATOM 130 C ILE A 8 -6.875 4.363 3.597 1.00 0.00 C ATOM 131 O ILE A 8 -7.566 4.729 4.527 1.00 0.00 O ATOM 132 CB ILE A 8 -5.598 2.973 5.271 1.00 0.00 C ATOM 133 CG1 ILE A 8 -4.324 2.146 5.489 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.821 2.094 5.545 1.00 0.00 C ATOM 135 CD1 ILE A 8 -4.213 1.753 6.964 1.00 0.00 C ATOM 0 H ILE A 8 -4.337 5.132 4.165 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.723 2.651 3.117 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.597 3.827 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.347 1.253 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.449 2.722 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.787 1.734 6.573 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.729 2.677 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.818 1.244 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.308 1.166 7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.170 2.653 7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.082 1.160 7.249 1.00 0.00 H new ATOM 147 N ASN A 9 -7.160 4.697 2.363 1.00 0.00 N ATOM 148 CA ASN A 9 -8.357 5.543 2.076 1.00 0.00 C ATOM 149 C ASN A 9 -9.535 4.634 1.719 1.00 0.00 C ATOM 150 O ASN A 9 -10.229 4.844 0.743 1.00 0.00 O ATOM 151 CB ASN A 9 -7.958 6.427 0.887 1.00 0.00 C ATOM 152 CG ASN A 9 -7.867 7.888 1.335 1.00 0.00 C ATOM 153 OD1 ASN A 9 -8.820 8.438 1.851 1.00 0.00 O ATOM 154 ND2 ASN A 9 -6.752 8.544 1.159 1.00 0.00 N ATOM 0 H ASN A 9 -6.617 4.421 1.545 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.661 6.152 2.927 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.999 6.100 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.691 6.328 0.086 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.681 9.518 1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.952 8.083 0.726 1.00 0.00 H new ATOM 161 N GLY A 10 -9.751 3.617 2.512 1.00 0.00 N ATOM 162 CA GLY A 10 -10.866 2.667 2.244 1.00 0.00 C ATOM 163 C GLY A 10 -11.970 2.858 3.278 1.00 0.00 C ATOM 164 O GLY A 10 -11.744 3.375 4.356 1.00 0.00 O ATOM 0 H GLY A 10 -9.196 3.404 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.262 2.831 1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.498 1.642 2.277 1.00 0.00 H new ATOM 168 N LYS A 11 -13.161 2.422 2.960 1.00 0.00 N ATOM 169 CA LYS A 11 -14.290 2.550 3.925 1.00 0.00 C ATOM 170 C LYS A 11 -14.210 1.445 4.992 1.00 0.00 C ATOM 171 O LYS A 11 -15.027 1.392 5.892 1.00 0.00 O ATOM 172 CB LYS A 11 -15.554 2.389 3.081 1.00 0.00 C ATOM 173 CG LYS A 11 -16.778 2.782 3.911 1.00 0.00 C ATOM 174 CD LYS A 11 -17.819 3.441 3.004 1.00 0.00 C ATOM 175 CE LYS A 11 -18.723 2.365 2.396 1.00 0.00 C ATOM 176 NZ LYS A 11 -19.414 3.039 1.262 1.00 0.00 N ATOM 0 H LYS A 11 -13.400 1.982 2.071 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.272 3.502 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.490 3.013 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.648 1.357 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.204 1.901 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.486 3.468 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.416 4.152 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.323 4.004 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.142 1.509 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.439 1.991 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.053 2.364 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.964 3.845 1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.708 3.379 0.578 1.00 0.00 H new ATOM 190 N THR A 12 -13.235 0.564 4.903 1.00 0.00 N ATOM 191 CA THR A 12 -13.112 -0.526 5.912 1.00 0.00 C ATOM 192 C THR A 12 -12.046 -0.164 6.947 1.00 0.00 C ATOM 193 O THR A 12 -12.146 -0.531 8.103 1.00 0.00 O ATOM 194 CB THR A 12 -12.690 -1.760 5.113 1.00 0.00 C ATOM 195 OG1 THR A 12 -13.597 -1.958 4.037 1.00 0.00 O ATOM 196 CG2 THR A 12 -12.701 -2.988 6.024 1.00 0.00 C ATOM 0 H THR A 12 -12.523 0.559 4.173 1.00 0.00 H new ATOM 0 HA THR A 12 -14.041 -0.694 6.457 1.00 0.00 H new ATOM 0 HB THR A 12 -11.685 -1.612 4.719 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.327 -2.747 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.400 -3.867 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.005 -2.835 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.705 -3.139 6.420 1.00 0.00 H new ATOM 204 N LEU A 13 -11.025 0.553 6.541 1.00 0.00 N ATOM 205 CA LEU A 13 -9.951 0.937 7.509 1.00 0.00 C ATOM 206 C LEU A 13 -9.386 2.317 7.159 1.00 0.00 C ATOM 207 O LEU A 13 -9.706 2.887 6.133 1.00 0.00 O ATOM 208 CB LEU A 13 -8.874 -0.146 7.362 1.00 0.00 C ATOM 209 CG LEU A 13 -8.829 -1.007 8.628 1.00 0.00 C ATOM 210 CD1 LEU A 13 -8.465 -2.445 8.257 1.00 0.00 C ATOM 211 CD2 LEU A 13 -7.775 -0.448 9.587 1.00 0.00 C ATOM 0 H LEU A 13 -10.890 0.887 5.587 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.322 1.002 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.088 -0.770 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.902 0.316 7.190 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.806 -0.993 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.433 -3.057 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.214 -2.845 7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.488 -2.460 7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.742 -1.060 10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.799 -0.462 9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.033 0.577 9.854 1.00 0.00 H new ATOM 223 N LYS A 14 -8.550 2.857 8.012 1.00 0.00 N ATOM 224 CA LYS A 14 -7.959 4.202 7.742 1.00 0.00 C ATOM 225 C LYS A 14 -6.642 4.367 8.509 1.00 0.00 C ATOM 226 O LYS A 14 -6.491 3.871 9.610 1.00 0.00 O ATOM 227 CB LYS A 14 -9.006 5.207 8.241 1.00 0.00 C ATOM 228 CG LYS A 14 -9.632 5.938 7.050 1.00 0.00 C ATOM 229 CD LYS A 14 -10.144 7.308 7.502 1.00 0.00 C ATOM 230 CE LYS A 14 -9.945 8.327 6.377 1.00 0.00 C ATOM 231 NZ LYS A 14 -8.685 9.040 6.724 1.00 0.00 N ATOM 0 H LYS A 14 -8.252 2.422 8.885 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.729 4.347 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.779 4.689 8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.541 5.925 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.896 6.057 6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.452 5.349 6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.200 7.244 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.611 7.630 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.866 7.835 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.786 9.018 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.480 9.756 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.792 9.504 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.901 8.358 6.768 1.00 0.00 H new ATOM 245 N GLY A 15 -5.691 5.061 7.932 1.00 0.00 N ATOM 246 CA GLY A 15 -4.384 5.264 8.618 1.00 0.00 C ATOM 247 C GLY A 15 -3.244 5.049 7.622 1.00 0.00 C ATOM 248 O GLY A 15 -3.260 5.576 6.526 1.00 0.00 O ATOM 0 H GLY A 15 -5.768 5.496 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.332 6.270 9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.288 4.569 9.452 1.00 0.00 H new ATOM 252 N GLU A 16 -2.255 4.279 7.998 1.00 0.00 N ATOM 253 CA GLU A 16 -1.105 4.024 7.077 1.00 0.00 C ATOM 254 C GLU A 16 -0.442 2.684 7.411 1.00 0.00 C ATOM 255 O GLU A 16 -0.642 2.131 8.476 1.00 0.00 O ATOM 256 CB GLU A 16 -0.131 5.184 7.317 1.00 0.00 C ATOM 257 CG GLU A 16 0.288 5.223 8.791 1.00 0.00 C ATOM 258 CD GLU A 16 1.027 6.531 9.079 1.00 0.00 C ATOM 259 OE1 GLU A 16 0.580 7.559 8.598 1.00 0.00 O ATOM 260 OE2 GLU A 16 2.027 6.483 9.775 1.00 0.00 O ATOM 0 H GLU A 16 -2.194 3.815 8.904 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.419 3.969 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.749 5.068 6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.601 6.127 7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.590 5.141 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.930 4.373 9.020 1.00 0.00 H new ATOM 267 N THR A 17 0.346 2.162 6.505 1.00 0.00 N ATOM 268 CA THR A 17 1.029 0.859 6.758 1.00 0.00 C ATOM 269 C THR A 17 2.369 0.814 6.019 1.00 0.00 C ATOM 270 O THR A 17 2.508 1.354 4.937 1.00 0.00 O ATOM 271 CB THR A 17 0.076 -0.202 6.204 1.00 0.00 C ATOM 272 OG1 THR A 17 -1.206 -0.038 6.796 1.00 0.00 O ATOM 273 CG2 THR A 17 0.617 -1.596 6.529 1.00 0.00 C ATOM 0 H THR A 17 0.546 2.585 5.598 1.00 0.00 H new ATOM 0 HA THR A 17 1.243 0.703 7.815 1.00 0.00 H new ATOM 0 HB THR A 17 -0.005 -0.091 5.123 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.829 -0.690 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.063 -2.351 6.134 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.600 -1.720 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.699 -1.712 7.610 1.00 0.00 H new ATOM 281 N THR A 18 3.354 0.175 6.598 1.00 0.00 N ATOM 282 CA THR A 18 4.691 0.091 5.937 1.00 0.00 C ATOM 283 C THR A 18 5.209 -1.349 5.971 1.00 0.00 C ATOM 284 O THR A 18 4.681 -2.190 6.674 1.00 0.00 O ATOM 285 CB THR A 18 5.598 1.008 6.758 1.00 0.00 C ATOM 286 OG1 THR A 18 5.505 0.657 8.132 1.00 0.00 O ATOM 287 CG2 THR A 18 5.160 2.462 6.570 1.00 0.00 C ATOM 0 H THR A 18 3.289 -0.293 7.502 1.00 0.00 H new ATOM 0 HA THR A 18 4.653 0.389 4.889 1.00 0.00 H new ATOM 0 HB THR A 18 6.629 0.895 6.423 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.087 1.243 8.659 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.807 3.115 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.232 2.730 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.129 2.578 6.905 1.00 0.00 H new ATOM 295 N THR A 19 6.238 -1.635 5.214 1.00 0.00 N ATOM 296 CA THR A 19 6.798 -3.020 5.194 1.00 0.00 C ATOM 297 C THR A 19 8.208 -3.015 4.593 1.00 0.00 C ATOM 298 O THR A 19 8.655 -2.024 4.048 1.00 0.00 O ATOM 299 CB THR A 19 5.834 -3.831 4.318 1.00 0.00 C ATOM 300 OG1 THR A 19 6.296 -5.171 4.228 1.00 0.00 O ATOM 301 CG2 THR A 19 5.759 -3.222 2.913 1.00 0.00 C ATOM 0 H THR A 19 6.715 -0.968 4.608 1.00 0.00 H new ATOM 0 HA THR A 19 6.886 -3.443 6.195 1.00 0.00 H new ATOM 0 HB THR A 19 4.841 -3.812 4.767 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.893 -5.604 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.072 -3.805 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.402 -2.194 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.750 -3.233 2.458 1.00 0.00 H new ATOM 309 N GLU A 20 8.905 -4.119 4.689 1.00 0.00 N ATOM 310 CA GLU A 20 10.286 -4.191 4.126 1.00 0.00 C ATOM 311 C GLU A 20 10.271 -4.931 2.785 1.00 0.00 C ATOM 312 O GLU A 20 9.827 -6.060 2.696 1.00 0.00 O ATOM 313 CB GLU A 20 11.095 -4.975 5.161 1.00 0.00 C ATOM 314 CG GLU A 20 11.597 -4.022 6.247 1.00 0.00 C ATOM 315 CD GLU A 20 10.424 -3.586 7.128 1.00 0.00 C ATOM 316 OE1 GLU A 20 9.580 -4.420 7.412 1.00 0.00 O ATOM 317 OE2 GLU A 20 10.390 -2.426 7.503 1.00 0.00 O ATOM 0 H GLU A 20 8.575 -4.975 5.134 1.00 0.00 H new ATOM 0 HA GLU A 20 10.709 -3.204 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.477 -5.756 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.938 -5.471 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.358 -4.514 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.067 -3.150 5.792 1.00 0.00 H new ATOM 324 N ALA A 21 10.753 -4.300 1.744 1.00 0.00 N ATOM 325 CA ALA A 21 10.770 -4.958 0.402 1.00 0.00 C ATOM 326 C ALA A 21 11.922 -4.409 -0.443 1.00 0.00 C ATOM 327 O ALA A 21 12.277 -3.250 -0.343 1.00 0.00 O ATOM 328 CB ALA A 21 9.425 -4.599 -0.232 1.00 0.00 C ATOM 0 H ALA A 21 11.136 -3.355 1.766 1.00 0.00 H new ATOM 0 HA ALA A 21 10.914 -6.036 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.359 -5.046 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.616 -4.979 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.340 -3.516 -0.316 1.00 0.00 H new ATOM 334 N VAL A 22 12.505 -5.236 -1.275 1.00 0.00 N ATOM 335 CA VAL A 22 13.637 -4.765 -2.133 1.00 0.00 C ATOM 336 C VAL A 22 13.161 -3.640 -3.061 1.00 0.00 C ATOM 337 O VAL A 22 13.900 -2.723 -3.367 1.00 0.00 O ATOM 338 CB VAL A 22 14.080 -5.998 -2.936 1.00 0.00 C ATOM 339 CG1 VAL A 22 12.928 -6.503 -3.810 1.00 0.00 C ATOM 340 CG2 VAL A 22 15.270 -5.631 -3.827 1.00 0.00 C ATOM 0 H VAL A 22 12.247 -6.215 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 22 14.461 -4.359 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 22 14.371 -6.785 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.255 -7.377 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.083 -6.775 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.625 -5.717 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.583 -6.507 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.978 -4.837 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.097 -5.287 -3.206 1.00 0.00 H new ATOM 350 N ASP A 23 11.930 -3.707 -3.505 1.00 0.00 N ATOM 351 CA ASP A 23 11.392 -2.644 -4.410 1.00 0.00 C ATOM 352 C ASP A 23 9.879 -2.815 -4.590 1.00 0.00 C ATOM 353 O ASP A 23 9.287 -3.744 -4.075 1.00 0.00 O ATOM 354 CB ASP A 23 12.123 -2.831 -5.747 1.00 0.00 C ATOM 355 CG ASP A 23 11.932 -4.262 -6.276 1.00 0.00 C ATOM 356 OD1 ASP A 23 11.084 -4.970 -5.755 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.643 -4.625 -7.199 1.00 0.00 O ATOM 0 H ASP A 23 11.273 -4.454 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 23 11.552 -1.645 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.745 -2.115 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.185 -2.624 -5.618 1.00 0.00 H new ATOM 362 N ALA A 24 9.252 -1.919 -5.312 1.00 0.00 N ATOM 363 CA ALA A 24 7.773 -2.010 -5.528 1.00 0.00 C ATOM 364 C ALA A 24 7.381 -3.387 -6.076 1.00 0.00 C ATOM 365 O ALA A 24 6.275 -3.852 -5.875 1.00 0.00 O ATOM 366 CB ALA A 24 7.448 -0.920 -6.551 1.00 0.00 C ATOM 0 H ALA A 24 9.703 -1.124 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 24 7.224 -1.878 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.378 -0.925 -6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.735 0.052 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.999 -1.110 -7.472 1.00 0.00 H new ATOM 372 N ALA A 25 8.284 -4.040 -6.764 1.00 0.00 N ATOM 373 CA ALA A 25 7.972 -5.392 -7.328 1.00 0.00 C ATOM 374 C ALA A 25 7.575 -6.364 -6.209 1.00 0.00 C ATOM 375 O ALA A 25 6.900 -7.348 -6.445 1.00 0.00 O ATOM 376 CB ALA A 25 9.265 -5.856 -8.003 1.00 0.00 C ATOM 0 H ALA A 25 9.224 -3.696 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 25 7.137 -5.356 -8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.113 -6.843 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.540 -5.150 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.064 -5.906 -7.263 1.00 0.00 H new ATOM 382 N THR A 26 7.993 -6.095 -4.996 1.00 0.00 N ATOM 383 CA THR A 26 7.645 -7.001 -3.860 1.00 0.00 C ATOM 384 C THR A 26 6.805 -6.266 -2.804 1.00 0.00 C ATOM 385 O THR A 26 6.217 -6.886 -1.937 1.00 0.00 O ATOM 386 CB THR A 26 8.992 -7.425 -3.272 1.00 0.00 C ATOM 387 OG1 THR A 26 9.811 -7.956 -4.305 1.00 0.00 O ATOM 388 CG2 THR A 26 8.771 -8.487 -2.195 1.00 0.00 C ATOM 0 H THR A 26 8.561 -5.286 -4.745 1.00 0.00 H new ATOM 0 HA THR A 26 7.048 -7.852 -4.188 1.00 0.00 H new ATOM 0 HB THR A 26 9.483 -6.560 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.607 -8.371 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.732 -8.787 -1.778 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.144 -8.077 -1.403 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.279 -9.355 -2.635 1.00 0.00 H new ATOM 396 N ALA A 27 6.747 -4.955 -2.862 1.00 0.00 N ATOM 397 CA ALA A 27 5.945 -4.192 -1.854 1.00 0.00 C ATOM 398 C ALA A 27 4.447 -4.382 -2.109 1.00 0.00 C ATOM 399 O ALA A 27 3.692 -4.701 -1.209 1.00 0.00 O ATOM 400 CB ALA A 27 6.341 -2.727 -2.050 1.00 0.00 C ATOM 0 H ALA A 27 7.219 -4.383 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 27 6.138 -4.532 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.792 -2.104 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.411 -2.613 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.102 -2.419 -3.068 1.00 0.00 H new ATOM 406 N GLU A 28 4.013 -4.186 -3.328 1.00 0.00 N ATOM 407 CA GLU A 28 2.560 -4.352 -3.652 1.00 0.00 C ATOM 408 C GLU A 28 2.102 -5.777 -3.335 1.00 0.00 C ATOM 409 O GLU A 28 0.963 -5.998 -2.986 1.00 0.00 O ATOM 410 CB GLU A 28 2.447 -4.073 -5.152 1.00 0.00 C ATOM 411 CG GLU A 28 0.986 -3.795 -5.510 1.00 0.00 C ATOM 412 CD GLU A 28 0.881 -3.443 -6.995 1.00 0.00 C ATOM 413 OE1 GLU A 28 1.723 -2.697 -7.468 1.00 0.00 O ATOM 414 OE2 GLU A 28 -0.039 -3.925 -7.635 1.00 0.00 O ATOM 0 H GLU A 28 4.602 -3.917 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 28 1.932 -3.681 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.068 -3.218 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.816 -4.927 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.374 -4.669 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.602 -2.975 -4.903 1.00 0.00 H new ATOM 421 N LYS A 29 2.979 -6.742 -3.450 1.00 0.00 N ATOM 422 CA LYS A 29 2.583 -8.156 -3.150 1.00 0.00 C ATOM 423 C LYS A 29 2.082 -8.274 -1.707 1.00 0.00 C ATOM 424 O LYS A 29 1.117 -8.962 -1.430 1.00 0.00 O ATOM 425 CB LYS A 29 3.855 -8.984 -3.343 1.00 0.00 C ATOM 426 CG LYS A 29 4.194 -9.064 -4.833 1.00 0.00 C ATOM 427 CD LYS A 29 5.147 -10.236 -5.076 1.00 0.00 C ATOM 428 CE LYS A 29 4.935 -10.782 -6.490 1.00 0.00 C ATOM 429 NZ LYS A 29 5.518 -9.750 -7.392 1.00 0.00 N ATOM 0 H LYS A 29 3.949 -6.615 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 29 1.775 -8.498 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.682 -8.532 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.714 -9.986 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.283 -9.194 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.654 -8.133 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.180 -9.910 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.969 -11.021 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.429 -11.745 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.876 -10.937 -6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.764 -9.329 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.972 -9.008 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.226 -10.192 -8.013 1.00 0.00 H new ATOM 443 N VAL A 30 2.730 -7.603 -0.789 1.00 0.00 N ATOM 444 CA VAL A 30 2.298 -7.667 0.640 1.00 0.00 C ATOM 445 C VAL A 30 1.154 -6.677 0.883 1.00 0.00 C ATOM 446 O VAL A 30 0.192 -6.985 1.561 1.00 0.00 O ATOM 447 CB VAL A 30 3.539 -7.274 1.450 1.00 0.00 C ATOM 448 CG1 VAL A 30 3.209 -7.291 2.945 1.00 0.00 C ATOM 449 CG2 VAL A 30 4.669 -8.271 1.173 1.00 0.00 C ATOM 0 H VAL A 30 3.542 -7.012 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 30 1.931 -8.654 0.921 1.00 0.00 H new ATOM 0 HB VAL A 30 3.853 -6.272 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.094 -7.011 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.407 -6.582 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.891 -8.292 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.551 -7.991 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.350 -9.272 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.911 -8.260 0.110 1.00 0.00 H new ATOM 459 N PHE A 31 1.255 -5.492 0.334 1.00 0.00 N ATOM 460 CA PHE A 31 0.175 -4.479 0.531 1.00 0.00 C ATOM 461 C PHE A 31 -1.099 -4.921 -0.191 1.00 0.00 C ATOM 462 O PHE A 31 -2.197 -4.696 0.283 1.00 0.00 O ATOM 463 CB PHE A 31 0.717 -3.179 -0.070 1.00 0.00 C ATOM 464 CG PHE A 31 1.656 -2.512 0.912 1.00 0.00 C ATOM 465 CD1 PHE A 31 1.263 -2.310 2.243 1.00 0.00 C ATOM 466 CD2 PHE A 31 2.923 -2.094 0.488 1.00 0.00 C ATOM 467 CE1 PHE A 31 2.135 -1.691 3.145 1.00 0.00 C ATOM 468 CE2 PHE A 31 3.795 -1.475 1.392 1.00 0.00 C ATOM 469 CZ PHE A 31 3.401 -1.274 2.720 1.00 0.00 C ATOM 0 H PHE A 31 2.038 -5.183 -0.242 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.083 -4.354 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.241 -3.389 -1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.107 -2.508 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.286 -2.633 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.228 -2.249 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.831 -1.535 4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.772 -1.152 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.074 -0.797 3.417 1.00 0.00 H new ATOM 479 N LYS A 32 -0.962 -5.558 -1.329 1.00 0.00 N ATOM 480 CA LYS A 32 -2.170 -6.025 -2.074 1.00 0.00 C ATOM 481 C LYS A 32 -2.907 -7.067 -1.231 1.00 0.00 C ATOM 482 O LYS A 32 -4.110 -7.004 -1.060 1.00 0.00 O ATOM 483 CB LYS A 32 -1.645 -6.653 -3.368 1.00 0.00 C ATOM 484 CG LYS A 32 -2.823 -7.124 -4.224 1.00 0.00 C ATOM 485 CD LYS A 32 -2.340 -7.404 -5.648 1.00 0.00 C ATOM 486 CE LYS A 32 -3.325 -8.344 -6.348 1.00 0.00 C ATOM 487 NZ LYS A 32 -4.202 -7.449 -7.155 1.00 0.00 N ATOM 0 H LYS A 32 -0.069 -5.773 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.867 -5.214 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.048 -5.927 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.991 -7.494 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.262 -8.024 -3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.604 -6.364 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.255 -6.470 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.347 -7.853 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.804 -9.062 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.905 -8.918 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.905 -8.020 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.690 -6.781 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.623 -6.920 -7.839 1.00 0.00 H new ATOM 501 N GLN A 33 -2.182 -8.014 -0.686 1.00 0.00 N ATOM 502 CA GLN A 33 -2.827 -9.056 0.171 1.00 0.00 C ATOM 503 C GLN A 33 -3.452 -8.392 1.396 1.00 0.00 C ATOM 504 O GLN A 33 -4.458 -8.835 1.918 1.00 0.00 O ATOM 505 CB GLN A 33 -1.696 -10.002 0.583 1.00 0.00 C ATOM 506 CG GLN A 33 -2.270 -11.153 1.411 1.00 0.00 C ATOM 507 CD GLN A 33 -3.124 -12.051 0.514 1.00 0.00 C ATOM 508 OE1 GLN A 33 -2.640 -12.596 -0.458 1.00 0.00 O ATOM 509 NE2 GLN A 33 -4.385 -12.227 0.800 1.00 0.00 N ATOM 0 H GLN A 33 -1.173 -8.110 -0.798 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.621 -9.592 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.193 -10.392 -0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.948 -9.461 1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.462 -11.731 1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.873 -10.761 2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.792 -11.770 1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.964 -12.822 0.208 1.00 0.00 H new ATOM 518 N TYR A 34 -2.863 -7.319 1.837 1.00 0.00 N ATOM 519 CA TYR A 34 -3.403 -6.578 3.016 1.00 0.00 C ATOM 520 C TYR A 34 -4.725 -5.905 2.614 1.00 0.00 C ATOM 521 O TYR A 34 -5.718 -6.001 3.309 1.00 0.00 O ATOM 522 CB TYR A 34 -2.300 -5.552 3.364 1.00 0.00 C ATOM 523 CG TYR A 34 -2.848 -4.397 4.179 1.00 0.00 C ATOM 524 CD1 TYR A 34 -2.974 -4.517 5.565 1.00 0.00 C ATOM 525 CD2 TYR A 34 -3.227 -3.212 3.539 1.00 0.00 C ATOM 526 CE1 TYR A 34 -3.480 -3.449 6.316 1.00 0.00 C ATOM 527 CE2 TYR A 34 -3.732 -2.143 4.287 1.00 0.00 C ATOM 528 CZ TYR A 34 -3.860 -2.261 5.677 1.00 0.00 C ATOM 529 OH TYR A 34 -4.358 -1.208 6.416 1.00 0.00 O ATOM 0 H TYR A 34 -2.020 -6.916 1.428 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.627 -7.209 3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.505 -6.047 3.922 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.854 -5.170 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.681 -5.433 6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.130 -3.122 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.577 -3.541 7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.023 -1.228 3.793 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.965 -1.224 7.314 1.00 0.00 H new ATOM 539 N ALA A 35 -4.734 -5.232 1.492 1.00 0.00 N ATOM 540 CA ALA A 35 -5.982 -4.554 1.030 1.00 0.00 C ATOM 541 C ALA A 35 -6.982 -5.592 0.516 1.00 0.00 C ATOM 542 O ALA A 35 -8.178 -5.434 0.654 1.00 0.00 O ATOM 543 CB ALA A 35 -5.540 -3.631 -0.106 1.00 0.00 C ATOM 0 H ALA A 35 -3.929 -5.123 0.875 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.473 -4.003 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.405 -3.097 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.811 -2.914 0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.088 -4.224 -0.902 1.00 0.00 H new ATOM 549 N ASN A 36 -6.494 -6.650 -0.079 1.00 0.00 N ATOM 550 CA ASN A 36 -7.403 -7.706 -0.611 1.00 0.00 C ATOM 551 C ASN A 36 -8.237 -8.314 0.522 1.00 0.00 C ATOM 552 O ASN A 36 -9.448 -8.391 0.440 1.00 0.00 O ATOM 553 CB ASN A 36 -6.482 -8.765 -1.224 1.00 0.00 C ATOM 554 CG ASN A 36 -7.319 -9.865 -1.887 1.00 0.00 C ATOM 555 OD1 ASN A 36 -8.521 -9.926 -1.712 1.00 0.00 O ATOM 556 ND2 ASN A 36 -6.727 -10.745 -2.648 1.00 0.00 N ATOM 0 H ASN A 36 -5.499 -6.828 -0.219 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.105 -7.306 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.823 -8.304 -1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.845 -9.196 -0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.272 -11.482 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.719 -10.695 -2.796 1.00 0.00 H new ATOM 563 N ASP A 37 -7.591 -8.751 1.573 1.00 0.00 N ATOM 564 CA ASP A 37 -8.337 -9.364 2.717 1.00 0.00 C ATOM 565 C ASP A 37 -9.301 -8.347 3.336 1.00 0.00 C ATOM 566 O ASP A 37 -10.382 -8.695 3.774 1.00 0.00 O ATOM 567 CB ASP A 37 -7.263 -9.765 3.731 1.00 0.00 C ATOM 568 CG ASP A 37 -7.668 -11.072 4.414 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.490 -12.115 3.806 1.00 0.00 O ATOM 570 OD2 ASP A 37 -8.149 -11.008 5.534 1.00 0.00 O ATOM 0 H ASP A 37 -6.579 -8.710 1.690 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.937 -10.217 2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.302 -9.887 3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.138 -8.978 4.474 1.00 0.00 H new ATOM 575 N ASN A 38 -8.916 -7.097 3.376 1.00 0.00 N ATOM 576 CA ASN A 38 -9.807 -6.053 3.969 1.00 0.00 C ATOM 577 C ASN A 38 -10.891 -5.648 2.967 1.00 0.00 C ATOM 578 O ASN A 38 -12.045 -5.488 3.319 1.00 0.00 O ATOM 579 CB ASN A 38 -8.887 -4.870 4.274 1.00 0.00 C ATOM 580 CG ASN A 38 -8.145 -5.126 5.588 1.00 0.00 C ATOM 581 OD1 ASN A 38 -8.643 -4.815 6.651 1.00 0.00 O ATOM 582 ND2 ASN A 38 -6.967 -5.686 5.560 1.00 0.00 N ATOM 0 H ASN A 38 -8.023 -6.753 3.024 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.320 -6.409 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.173 -4.732 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.470 -3.952 4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.465 -5.862 6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.548 -5.948 4.668 1.00 0.00 H new ATOM 589 N GLY A 39 -10.526 -5.483 1.721 1.00 0.00 N ATOM 590 CA GLY A 39 -11.525 -5.090 0.686 1.00 0.00 C ATOM 591 C GLY A 39 -11.239 -3.664 0.211 1.00 0.00 C ATOM 592 O GLY A 39 -12.146 -2.877 0.012 1.00 0.00 O ATOM 0 H GLY A 39 -9.574 -5.605 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.481 -5.780 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.533 -5.152 1.097 1.00 0.00 H new ATOM 596 N ILE A 40 -9.986 -3.327 0.027 1.00 0.00 N ATOM 597 CA ILE A 40 -9.640 -1.950 -0.437 1.00 0.00 C ATOM 598 C ILE A 40 -9.365 -1.954 -1.945 1.00 0.00 C ATOM 599 O ILE A 40 -8.296 -1.583 -2.393 1.00 0.00 O ATOM 600 CB ILE A 40 -8.391 -1.556 0.365 1.00 0.00 C ATOM 601 CG1 ILE A 40 -8.768 -1.493 1.851 1.00 0.00 C ATOM 602 CG2 ILE A 40 -7.878 -0.180 -0.096 1.00 0.00 C ATOM 603 CD1 ILE A 40 -7.534 -1.183 2.701 1.00 0.00 C ATOM 0 H ILE A 40 -9.190 -3.946 0.178 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.450 -1.239 -0.276 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.603 -2.292 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.527 -0.727 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.203 -2.442 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.992 0.089 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.624 -0.223 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.654 0.569 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.818 -1.142 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.787 -1.964 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.117 -0.222 2.400 1.00 0.00 H new ATOM 615 N ASP A 41 -10.334 -2.352 -2.730 1.00 0.00 N ATOM 616 CA ASP A 41 -10.146 -2.356 -4.212 1.00 0.00 C ATOM 617 C ASP A 41 -10.366 -0.936 -4.742 1.00 0.00 C ATOM 618 O ASP A 41 -11.270 -0.682 -5.516 1.00 0.00 O ATOM 619 CB ASP A 41 -11.208 -3.321 -4.759 1.00 0.00 C ATOM 620 CG ASP A 41 -12.610 -2.846 -4.362 1.00 0.00 C ATOM 621 OD1 ASP A 41 -13.029 -3.156 -3.258 1.00 0.00 O ATOM 622 OD2 ASP A 41 -13.239 -2.180 -5.168 1.00 0.00 O ATOM 0 H ASP A 41 -11.247 -2.674 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.147 -2.669 -4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.130 -3.381 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.033 -4.324 -4.371 1.00 0.00 H new ATOM 627 N GLY A 42 -9.555 -0.010 -4.302 1.00 0.00 N ATOM 628 CA GLY A 42 -9.709 1.405 -4.739 1.00 0.00 C ATOM 629 C GLY A 42 -8.860 1.675 -5.978 1.00 0.00 C ATOM 630 O GLY A 42 -8.784 0.868 -6.885 1.00 0.00 O ATOM 0 H GLY A 42 -8.786 -0.177 -3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.757 1.613 -4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.411 2.076 -3.933 1.00 0.00 H new ATOM 634 N GLU A 43 -8.216 2.811 -6.007 1.00 0.00 N ATOM 635 CA GLU A 43 -7.355 3.165 -7.162 1.00 0.00 C ATOM 636 C GLU A 43 -5.911 3.310 -6.690 1.00 0.00 C ATOM 637 O GLU A 43 -5.537 4.292 -6.076 1.00 0.00 O ATOM 638 CB GLU A 43 -7.903 4.491 -7.709 1.00 0.00 C ATOM 639 CG GLU A 43 -7.907 5.571 -6.612 1.00 0.00 C ATOM 640 CD GLU A 43 -9.333 6.084 -6.392 1.00 0.00 C ATOM 641 OE1 GLU A 43 -10.211 5.263 -6.178 1.00 0.00 O ATOM 642 OE2 GLU A 43 -9.523 7.288 -6.440 1.00 0.00 O ATOM 0 H GLU A 43 -8.253 3.514 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.364 2.401 -7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.295 4.822 -8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.915 4.344 -8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.512 5.160 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.255 6.396 -6.899 1.00 0.00 H new ATOM 649 N TRP A 44 -5.111 2.314 -6.943 1.00 0.00 N ATOM 650 CA TRP A 44 -3.700 2.347 -6.483 1.00 0.00 C ATOM 651 C TRP A 44 -2.851 3.336 -7.274 1.00 0.00 C ATOM 652 O TRP A 44 -2.984 3.490 -8.472 1.00 0.00 O ATOM 653 CB TRP A 44 -3.184 0.926 -6.667 1.00 0.00 C ATOM 654 CG TRP A 44 -3.758 0.086 -5.581 1.00 0.00 C ATOM 655 CD1 TRP A 44 -5.056 -0.282 -5.494 1.00 0.00 C ATOM 656 CD2 TRP A 44 -3.090 -0.473 -4.417 1.00 0.00 C ATOM 657 NE1 TRP A 44 -5.227 -1.036 -4.348 1.00 0.00 N ATOM 658 CE2 TRP A 44 -4.043 -1.180 -3.651 1.00 0.00 C ATOM 659 CE3 TRP A 44 -1.762 -0.436 -3.957 1.00 0.00 C ATOM 660 CZ2 TRP A 44 -3.693 -1.825 -2.468 1.00 0.00 C ATOM 661 CZ3 TRP A 44 -1.405 -1.088 -2.766 1.00 0.00 C ATOM 662 CH2 TRP A 44 -2.370 -1.779 -2.022 1.00 0.00 C ATOM 0 H TRP A 44 -5.378 1.472 -7.453 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.640 2.681 -5.447 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.475 0.538 -7.643 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.095 0.908 -6.628 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.831 -0.029 -6.202 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.118 -1.437 -4.053 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.012 0.097 -4.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.440 -2.358 -1.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.382 -1.057 -2.422 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.091 -2.276 -1.104 1.00 0.00 H new ATOM 673 N THR A 45 -1.958 3.983 -6.584 1.00 0.00 N ATOM 674 CA THR A 45 -1.038 4.957 -7.225 1.00 0.00 C ATOM 675 C THR A 45 0.246 4.994 -6.404 1.00 0.00 C ATOM 676 O THR A 45 0.210 5.061 -5.189 1.00 0.00 O ATOM 677 CB THR A 45 -1.752 6.308 -7.183 1.00 0.00 C ATOM 678 OG1 THR A 45 -2.454 6.441 -5.955 1.00 0.00 O ATOM 679 CG2 THR A 45 -2.736 6.404 -8.349 1.00 0.00 C ATOM 0 H THR A 45 -1.825 3.874 -5.579 1.00 0.00 H new ATOM 0 HA THR A 45 -0.786 4.697 -8.253 1.00 0.00 H new ATOM 0 HB THR A 45 -1.015 7.107 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.909 7.309 -5.931 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.244 7.368 -8.318 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.195 6.310 -9.290 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.471 5.603 -8.271 1.00 0.00 H new ATOM 687 N TYR A 46 1.372 4.917 -7.050 1.00 0.00 N ATOM 688 CA TYR A 46 2.663 4.909 -6.304 1.00 0.00 C ATOM 689 C TYR A 46 3.402 6.241 -6.504 1.00 0.00 C ATOM 690 O TYR A 46 3.460 6.774 -7.596 1.00 0.00 O ATOM 691 CB TYR A 46 3.426 3.716 -6.915 1.00 0.00 C ATOM 692 CG TYR A 46 4.910 3.769 -6.598 1.00 0.00 C ATOM 693 CD1 TYR A 46 5.398 3.231 -5.401 1.00 0.00 C ATOM 694 CD2 TYR A 46 5.795 4.344 -7.518 1.00 0.00 C ATOM 695 CE1 TYR A 46 6.769 3.268 -5.126 1.00 0.00 C ATOM 696 CE2 TYR A 46 7.165 4.385 -7.241 1.00 0.00 C ATOM 697 CZ TYR A 46 7.653 3.846 -6.046 1.00 0.00 C ATOM 698 OH TYR A 46 9.006 3.881 -5.778 1.00 0.00 O ATOM 0 H TYR A 46 1.457 4.859 -8.065 1.00 0.00 H new ATOM 0 HA TYR A 46 2.548 4.805 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.007 2.784 -6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.286 3.711 -7.996 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.716 2.788 -4.690 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.419 4.756 -8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.146 2.851 -4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.846 4.833 -7.950 1.00 0.00 H new ATOM 0 HH TYR A 46 9.475 4.315 -6.521 1.00 0.00 H new ATOM 708 N ASP A 47 3.974 6.767 -5.451 1.00 0.00 N ATOM 709 CA ASP A 47 4.724 8.052 -5.557 1.00 0.00 C ATOM 710 C ASP A 47 6.222 7.788 -5.385 1.00 0.00 C ATOM 711 O ASP A 47 6.651 7.230 -4.391 1.00 0.00 O ATOM 712 CB ASP A 47 4.194 8.922 -4.411 1.00 0.00 C ATOM 713 CG ASP A 47 3.267 10.005 -4.970 1.00 0.00 C ATOM 714 OD1 ASP A 47 2.493 9.693 -5.860 1.00 0.00 O ATOM 715 OD2 ASP A 47 3.348 11.127 -4.498 1.00 0.00 O ATOM 0 H ASP A 47 3.953 6.358 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 47 4.589 8.537 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.655 8.305 -3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.025 9.382 -3.876 1.00 0.00 H new ATOM 720 N ASP A 48 7.016 8.179 -6.349 1.00 0.00 N ATOM 721 CA ASP A 48 8.490 7.950 -6.255 1.00 0.00 C ATOM 722 C ASP A 48 9.138 8.981 -5.325 1.00 0.00 C ATOM 723 O ASP A 48 10.194 8.746 -4.769 1.00 0.00 O ATOM 724 CB ASP A 48 9.011 8.115 -7.683 1.00 0.00 C ATOM 725 CG ASP A 48 10.487 7.716 -7.738 1.00 0.00 C ATOM 726 OD1 ASP A 48 10.757 6.527 -7.789 1.00 0.00 O ATOM 727 OD2 ASP A 48 11.322 8.605 -7.728 1.00 0.00 O ATOM 0 H ASP A 48 6.706 8.648 -7.200 1.00 0.00 H new ATOM 0 HA ASP A 48 8.724 6.968 -5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.430 7.496 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.890 9.148 -8.008 1.00 0.00 H new ATOM 732 N ALA A 49 8.516 10.125 -5.156 1.00 0.00 N ATOM 733 CA ALA A 49 9.094 11.180 -4.267 1.00 0.00 C ATOM 734 C ALA A 49 9.384 10.617 -2.869 1.00 0.00 C ATOM 735 O ALA A 49 10.388 10.936 -2.261 1.00 0.00 O ATOM 736 CB ALA A 49 8.027 12.274 -4.190 1.00 0.00 C ATOM 0 H ALA A 49 7.630 10.372 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 49 10.040 11.558 -4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.382 13.084 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.828 12.660 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.110 11.859 -3.772 1.00 0.00 H new ATOM 742 N THR A 50 8.512 9.783 -2.363 1.00 0.00 N ATOM 743 CA THR A 50 8.732 9.194 -1.007 1.00 0.00 C ATOM 744 C THR A 50 8.285 7.724 -0.963 1.00 0.00 C ATOM 745 O THR A 50 8.174 7.140 0.098 1.00 0.00 O ATOM 746 CB THR A 50 7.875 10.044 -0.068 1.00 0.00 C ATOM 747 OG1 THR A 50 6.522 10.003 -0.496 1.00 0.00 O ATOM 748 CG2 THR A 50 8.376 11.489 -0.088 1.00 0.00 C ATOM 0 H THR A 50 7.656 9.484 -2.831 1.00 0.00 H new ATOM 0 HA THR A 50 9.786 9.201 -0.728 1.00 0.00 H new ATOM 0 HB THR A 50 7.946 9.651 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.972 10.546 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.765 12.095 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.414 11.519 0.242 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.306 11.884 -1.101 1.00 0.00 H new ATOM 756 N LYS A 51 8.036 7.116 -2.104 1.00 0.00 N ATOM 757 CA LYS A 51 7.606 5.677 -2.130 1.00 0.00 C ATOM 758 C LYS A 51 6.428 5.432 -1.176 1.00 0.00 C ATOM 759 O LYS A 51 6.615 5.190 0.002 1.00 0.00 O ATOM 760 CB LYS A 51 8.838 4.883 -1.676 1.00 0.00 C ATOM 761 CG LYS A 51 9.432 4.129 -2.867 1.00 0.00 C ATOM 762 CD LYS A 51 10.517 4.985 -3.525 1.00 0.00 C ATOM 763 CE LYS A 51 11.723 5.111 -2.583 1.00 0.00 C ATOM 764 NZ LYS A 51 11.835 6.567 -2.283 1.00 0.00 N ATOM 0 H LYS A 51 8.113 7.557 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 51 7.264 5.379 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.582 5.558 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.561 4.181 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.854 3.180 -2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.650 3.896 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.826 4.535 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.121 5.974 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.573 4.532 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.631 4.735 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.390 6.701 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.309 7.049 -3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.885 6.969 -2.153 1.00 0.00 H new ATOM 778 N THR A 52 5.221 5.487 -1.681 1.00 0.00 N ATOM 779 CA THR A 52 4.034 5.252 -0.805 1.00 0.00 C ATOM 780 C THR A 52 2.820 4.824 -1.638 1.00 0.00 C ATOM 781 O THR A 52 2.196 5.633 -2.299 1.00 0.00 O ATOM 782 CB THR A 52 3.772 6.601 -0.127 1.00 0.00 C ATOM 783 OG1 THR A 52 4.930 6.995 0.596 1.00 0.00 O ATOM 784 CG2 THR A 52 2.586 6.479 0.833 1.00 0.00 C ATOM 0 H THR A 52 5.007 5.684 -2.659 1.00 0.00 H new ATOM 0 HA THR A 52 4.211 4.455 -0.083 1.00 0.00 H new ATOM 0 HB THR A 52 3.541 7.348 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.498 6.212 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.405 7.441 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.698 6.177 0.278 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.809 5.731 1.594 1.00 0.00 H new ATOM 792 N PHE A 53 2.470 3.559 -1.594 1.00 0.00 N ATOM 793 CA PHE A 53 1.279 3.078 -2.365 1.00 0.00 C ATOM 794 C PHE A 53 0.030 3.813 -1.871 1.00 0.00 C ATOM 795 O PHE A 53 -0.178 3.949 -0.680 1.00 0.00 O ATOM 796 CB PHE A 53 1.170 1.582 -2.055 1.00 0.00 C ATOM 797 CG PHE A 53 2.259 0.828 -2.779 1.00 0.00 C ATOM 798 CD1 PHE A 53 3.503 0.635 -2.167 1.00 0.00 C ATOM 799 CD2 PHE A 53 2.022 0.315 -4.060 1.00 0.00 C ATOM 800 CE1 PHE A 53 4.511 -0.069 -2.836 1.00 0.00 C ATOM 801 CE2 PHE A 53 3.029 -0.390 -4.729 1.00 0.00 C ATOM 802 CZ PHE A 53 4.274 -0.583 -4.117 1.00 0.00 C ATOM 0 H PHE A 53 2.957 2.841 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 53 1.374 3.259 -3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.254 1.417 -0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.192 1.209 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.685 1.029 -1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.062 0.463 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.471 -0.216 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.846 -0.785 -5.717 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.051 -1.128 -4.633 1.00 0.00 H new ATOM 812 N THR A 54 -0.785 4.316 -2.764 1.00 0.00 N ATOM 813 CA THR A 54 -1.997 5.069 -2.306 1.00 0.00 C ATOM 814 C THR A 54 -3.302 4.520 -2.914 1.00 0.00 C ATOM 815 O THR A 54 -3.659 4.851 -4.029 1.00 0.00 O ATOM 816 CB THR A 54 -1.751 6.505 -2.779 1.00 0.00 C ATOM 817 OG1 THR A 54 -0.511 6.963 -2.259 1.00 0.00 O ATOM 818 CG2 THR A 54 -2.877 7.418 -2.291 1.00 0.00 C ATOM 0 H THR A 54 -0.669 4.241 -3.775 1.00 0.00 H new ATOM 0 HA THR A 54 -2.128 4.985 -1.227 1.00 0.00 H new ATOM 0 HB THR A 54 -1.725 6.525 -3.869 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.349 7.881 -2.561 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.693 8.437 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.829 7.068 -2.691 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.913 7.401 -1.202 1.00 0.00 H new ATOM 826 N VAL A 55 -4.039 3.720 -2.168 1.00 0.00 N ATOM 827 CA VAL A 55 -5.338 3.198 -2.682 1.00 0.00 C ATOM 828 C VAL A 55 -6.490 3.993 -2.049 1.00 0.00 C ATOM 829 O VAL A 55 -6.298 4.730 -1.098 1.00 0.00 O ATOM 830 CB VAL A 55 -5.422 1.706 -2.293 1.00 0.00 C ATOM 831 CG1 VAL A 55 -5.528 1.541 -0.778 1.00 0.00 C ATOM 832 CG2 VAL A 55 -6.662 1.085 -2.939 1.00 0.00 C ATOM 0 H VAL A 55 -3.791 3.411 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.410 3.304 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.516 1.210 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.586 0.481 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.650 1.977 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.424 2.047 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.725 0.031 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.554 1.604 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.592 1.176 -4.023 1.00 0.00 H new ATOM 842 N THR A 56 -7.676 3.843 -2.568 1.00 0.00 N ATOM 843 CA THR A 56 -8.846 4.579 -2.015 1.00 0.00 C ATOM 844 C THR A 56 -10.146 3.889 -2.443 1.00 0.00 C ATOM 845 O THR A 56 -10.525 3.931 -3.600 1.00 0.00 O ATOM 846 CB THR A 56 -8.740 5.970 -2.641 1.00 0.00 C ATOM 847 OG1 THR A 56 -7.522 6.577 -2.232 1.00 0.00 O ATOM 848 CG2 THR A 56 -9.919 6.840 -2.197 1.00 0.00 C ATOM 0 H THR A 56 -7.887 3.236 -3.360 1.00 0.00 H new ATOM 0 HA THR A 56 -8.853 4.615 -0.926 1.00 0.00 H new ATOM 0 HB THR A 56 -8.760 5.876 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.116 6.046 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.833 7.828 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.853 6.376 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.912 6.936 -1.111 1.00 0.00 H new ATOM 856 N GLU A 57 -10.826 3.257 -1.521 1.00 0.00 N ATOM 857 CA GLU A 57 -12.102 2.562 -1.867 1.00 0.00 C ATOM 858 C GLU A 57 -13.299 3.461 -1.548 1.00 0.00 C ATOM 859 O GLU A 57 -13.128 4.390 -0.776 1.00 0.00 O ATOM 860 CB GLU A 57 -12.123 1.310 -0.989 1.00 0.00 C ATOM 861 CG GLU A 57 -12.797 0.166 -1.748 1.00 0.00 C ATOM 862 CD GLU A 57 -14.314 0.266 -1.581 1.00 0.00 C ATOM 863 OE1 GLU A 57 -14.754 0.504 -0.468 1.00 0.00 O ATOM 864 OE2 GLU A 57 -15.010 0.102 -2.569 1.00 0.00 O ATOM 865 OXT GLU A 57 -14.365 3.206 -2.083 1.00 0.00 O ATOM 0 H GLU A 57 -10.552 3.192 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.163 2.317 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.106 1.029 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.660 1.512 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.533 0.211 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.442 -0.793 -1.372 1.00 0.00 H new