USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 478 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 23 LYS NZ :NH3+ -127:sc= -1.41 (180deg=0.246) USER MOD Set 1.2: A 27 MET CE :methyl 151:sc= -12.6! (180deg=-8.47!) USER MOD Set 1.3: A 42 CYS SG : rot 32:sc= -4.8! USER MOD Set 1.4: A 44 ASN : amide:sc= -1.32 K(o=-20,f=-21) USER MOD Single : A 1 GLY N :NH3+ -173:sc= 0 (180deg=-0.0843) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-1.4) USER MOD Single : A 6 GLN : amide:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : A 7 THR OG1 : rot 116:sc= 1.1 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 126:sc= 1.28 USER MOD Single : A 15 THR OG1 : rot 76:sc= 1.05 USER MOD Single : A 20 ASN : amide:sc= 0.199 K(o=0.2,f=-6.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.828 K(o=-0.83,f=-11!) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= -0.98 (180deg=-1.04) USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.202 (180deg=-0.522) USER MOD Single : A 48 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.51) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.072 K(o=-0.072,f=-0.98) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00361 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.090 -10.174 4.354 1.00 0.00 N ATOM 2 CA GLY A 1 14.872 -9.970 3.104 1.00 0.00 C ATOM 3 C GLY A 1 14.177 -9.038 2.131 1.00 0.00 C ATOM 4 O GLY A 1 14.826 -8.252 1.441 1.00 0.00 O ATOM 0 H1 GLY A 1 14.657 -10.720 5.033 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.849 -9.251 4.768 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.216 -10.694 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.852 -9.564 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.040 -10.933 2.623 1.00 0.00 H new ATOM 10 N SER A 2 12.852 -9.127 2.077 1.00 0.00 N ATOM 11 CA SER A 2 12.065 -8.286 1.184 1.00 0.00 C ATOM 12 C SER A 2 11.337 -7.196 1.960 1.00 0.00 C ATOM 13 O SER A 2 10.787 -7.449 3.031 1.00 0.00 O ATOM 14 CB SER A 2 11.046 -9.133 0.414 1.00 0.00 C ATOM 15 OG SER A 2 11.233 -9.012 -0.985 1.00 0.00 O ATOM 0 H SER A 2 12.301 -9.774 2.642 1.00 0.00 H new ATOM 0 HA SER A 2 12.750 -7.815 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.142 -10.178 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.036 -8.820 0.677 1.00 0.00 H new ATOM 0 HG SER A 2 10.571 -9.564 -1.452 1.00 0.00 H new ATOM 21 N HIS A 3 11.314 -5.991 1.403 1.00 0.00 N ATOM 22 CA HIS A 3 10.619 -4.883 2.049 1.00 0.00 C ATOM 23 C HIS A 3 9.135 -4.984 1.749 1.00 0.00 C ATOM 24 O HIS A 3 8.716 -4.893 0.594 1.00 0.00 O ATOM 25 CB HIS A 3 11.157 -3.518 1.598 1.00 0.00 C ATOM 26 CG HIS A 3 12.101 -3.569 0.436 1.00 0.00 C ATOM 27 ND1 HIS A 3 13.377 -4.085 0.522 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.946 -3.167 -0.848 1.00 0.00 C ATOM 29 CE1 HIS A 3 13.966 -3.997 -0.658 1.00 0.00 C ATOM 30 NE2 HIS A 3 13.118 -3.445 -1.505 1.00 0.00 N ATOM 0 H HIS A 3 11.762 -5.757 0.517 1.00 0.00 H new ATOM 0 HA HIS A 3 10.793 -4.956 3.123 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.314 -2.879 1.335 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.664 -3.047 2.440 1.00 0.00 H new ATOM 0 HD2 HIS A 3 11.064 -2.712 -1.275 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.970 -4.321 -0.889 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.304 -3.255 -2.490 1.00 0.00 H new ATOM 39 N VAL A 4 8.344 -5.199 2.788 1.00 0.00 N ATOM 40 CA VAL A 4 6.906 -5.345 2.623 1.00 0.00 C ATOM 41 C VAL A 4 6.150 -4.420 3.559 1.00 0.00 C ATOM 42 O VAL A 4 6.727 -3.844 4.475 1.00 0.00 O ATOM 43 CB VAL A 4 6.449 -6.801 2.869 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.463 -7.239 1.803 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.640 -7.744 2.897 1.00 0.00 C ATOM 0 H VAL A 4 8.671 -5.276 3.751 1.00 0.00 H new ATOM 0 HA VAL A 4 6.680 -5.076 1.591 1.00 0.00 H new ATOM 0 HB VAL A 4 5.955 -6.838 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.153 -8.267 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.590 -6.587 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.936 -7.179 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.294 -8.763 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.164 -7.697 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.319 -7.449 3.698 1.00 0.00 H new ATOM 55 N VAL A 5 4.857 -4.276 3.316 1.00 0.00 N ATOM 56 CA VAL A 5 4.019 -3.421 4.143 1.00 0.00 C ATOM 57 C VAL A 5 2.735 -4.138 4.543 1.00 0.00 C ATOM 58 O VAL A 5 2.340 -5.130 3.935 1.00 0.00 O ATOM 59 CB VAL A 5 3.723 -2.049 3.464 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.920 -2.104 1.955 1.00 0.00 C ATOM 61 CG2 VAL A 5 2.335 -1.510 3.806 1.00 0.00 C ATOM 0 H VAL A 5 4.364 -4.740 2.553 1.00 0.00 H new ATOM 0 HA VAL A 5 4.579 -3.203 5.052 1.00 0.00 H new ATOM 0 HB VAL A 5 4.453 -1.351 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.703 -1.127 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.951 -2.378 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.247 -2.847 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.183 -0.553 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.577 -2.218 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.253 -1.373 4.884 1.00 0.00 H new ATOM 71 N GLN A 6 2.104 -3.634 5.592 1.00 0.00 N ATOM 72 CA GLN A 6 0.876 -4.225 6.105 1.00 0.00 C ATOM 73 C GLN A 6 -0.223 -3.177 6.194 1.00 0.00 C ATOM 74 O GLN A 6 0.048 -2.015 6.499 1.00 0.00 O ATOM 75 CB GLN A 6 1.132 -4.840 7.481 1.00 0.00 C ATOM 76 CG GLN A 6 0.406 -6.153 7.704 1.00 0.00 C ATOM 77 CD GLN A 6 0.986 -6.954 8.854 1.00 0.00 C ATOM 78 OE1 GLN A 6 0.818 -6.599 10.020 1.00 0.00 O ATOM 79 NE2 GLN A 6 1.675 -8.042 8.531 1.00 0.00 N ATOM 0 H GLN A 6 2.423 -2.814 6.107 1.00 0.00 H new ATOM 0 HA GLN A 6 0.550 -5.008 5.420 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.203 -5.001 7.604 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.826 -4.130 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.647 -5.952 7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.452 -6.748 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.790 -8.300 7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.089 -8.619 9.263 1.00 0.00 H new ATOM 88 N THR A 7 -1.464 -3.579 5.929 1.00 0.00 N ATOM 89 CA THR A 7 -2.580 -2.640 5.990 1.00 0.00 C ATOM 90 C THR A 7 -3.535 -2.989 7.121 1.00 0.00 C ATOM 91 O THR A 7 -3.821 -4.159 7.378 1.00 0.00 O ATOM 92 CB THR A 7 -3.324 -2.596 4.656 1.00 0.00 C ATOM 93 OG1 THR A 7 -2.893 -3.640 3.802 1.00 0.00 O ATOM 94 CG2 THR A 7 -3.137 -1.288 3.916 1.00 0.00 C ATOM 0 H THR A 7 -1.719 -4.533 5.674 1.00 0.00 H new ATOM 0 HA THR A 7 -2.169 -1.650 6.191 1.00 0.00 H new ATOM 0 HB THR A 7 -4.378 -2.709 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.640 -4.249 3.627 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.690 -1.319 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.509 -0.467 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.078 -1.135 3.709 1.00 0.00 H new ATOM 102 N LEU A 8 -4.013 -1.955 7.799 1.00 0.00 N ATOM 103 CA LEU A 8 -4.926 -2.119 8.917 1.00 0.00 C ATOM 104 C LEU A 8 -6.337 -1.675 8.543 1.00 0.00 C ATOM 105 O LEU A 8 -7.311 -2.381 8.802 1.00 0.00 O ATOM 106 CB LEU A 8 -4.436 -1.293 10.105 1.00 0.00 C ATOM 107 CG LEU A 8 -2.926 -1.311 10.354 1.00 0.00 C ATOM 108 CD1 LEU A 8 -2.384 -2.729 10.391 1.00 0.00 C ATOM 109 CD2 LEU A 8 -2.203 -0.501 9.311 1.00 0.00 C ATOM 0 H LEU A 8 -3.779 -0.984 7.590 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.953 -3.176 9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.748 -0.259 9.957 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.937 -1.652 11.004 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.750 -0.860 11.331 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.309 -2.703 10.570 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.872 -3.284 11.192 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.582 -3.219 9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.131 -0.528 9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.401 -0.919 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.552 0.531 9.345 1.00 0.00 H new ATOM 121 N TYR A 9 -6.433 -0.492 7.945 1.00 0.00 N ATOM 122 CA TYR A 9 -7.723 0.067 7.546 1.00 0.00 C ATOM 123 C TYR A 9 -8.052 -0.279 6.096 1.00 0.00 C ATOM 124 O TYR A 9 -7.167 -0.639 5.319 1.00 0.00 O ATOM 125 CB TYR A 9 -7.717 1.586 7.735 1.00 0.00 C ATOM 126 CG TYR A 9 -7.850 2.016 9.179 1.00 0.00 C ATOM 127 CD1 TYR A 9 -9.068 1.928 9.843 1.00 0.00 C ATOM 128 CD2 TYR A 9 -6.755 2.507 9.880 1.00 0.00 C ATOM 129 CE1 TYR A 9 -9.190 2.317 11.164 1.00 0.00 C ATOM 130 CE2 TYR A 9 -6.870 2.898 11.200 1.00 0.00 C ATOM 131 CZ TYR A 9 -8.090 2.802 11.836 1.00 0.00 C ATOM 132 OH TYR A 9 -8.208 3.190 13.151 1.00 0.00 O ATOM 0 H TYR A 9 -5.632 0.100 7.725 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.493 -0.372 8.181 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.791 1.991 7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.535 2.019 7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.933 1.550 9.318 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.798 2.584 9.385 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.143 2.241 11.666 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.009 3.277 11.731 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.340 3.507 13.478 1.00 0.00 H new ATOM 142 N PRO A 10 -9.337 -0.170 5.709 1.00 0.00 N ATOM 143 CA PRO A 10 -9.784 -0.467 4.344 1.00 0.00 C ATOM 144 C PRO A 10 -9.007 0.327 3.300 1.00 0.00 C ATOM 145 O PRO A 10 -7.962 0.906 3.599 1.00 0.00 O ATOM 146 CB PRO A 10 -11.265 -0.058 4.340 1.00 0.00 C ATOM 147 CG PRO A 10 -11.449 0.770 5.567 1.00 0.00 C ATOM 148 CD PRO A 10 -10.456 0.253 6.564 1.00 0.00 C ATOM 0 HA PRO A 10 -9.626 -1.514 4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.514 0.508 3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.915 -0.933 4.355 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.277 1.825 5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.467 0.683 5.948 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.155 1.023 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.859 -0.577 7.145 1.00 0.00 H new ATOM 156 N PHE A 11 -9.517 0.354 2.073 1.00 0.00 N ATOM 157 CA PHE A 11 -8.854 1.078 0.995 1.00 0.00 C ATOM 158 C PHE A 11 -9.626 2.340 0.620 1.00 0.00 C ATOM 159 O PHE A 11 -10.828 2.290 0.356 1.00 0.00 O ATOM 160 CB PHE A 11 -8.710 0.176 -0.232 1.00 0.00 C ATOM 161 CG PHE A 11 -10.020 -0.155 -0.893 1.00 0.00 C ATOM 162 CD1 PHE A 11 -10.553 0.679 -1.860 1.00 0.00 C ATOM 163 CD2 PHE A 11 -10.716 -1.301 -0.543 1.00 0.00 C ATOM 164 CE1 PHE A 11 -11.757 0.377 -2.469 1.00 0.00 C ATOM 165 CE2 PHE A 11 -11.920 -1.608 -1.147 1.00 0.00 C ATOM 166 CZ PHE A 11 -12.442 -0.767 -2.112 1.00 0.00 C ATOM 0 H PHE A 11 -10.382 -0.114 1.802 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.866 1.374 1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.060 0.665 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.218 -0.750 0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.022 1.576 -2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.313 -1.962 0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.161 1.036 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.453 -2.504 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.383 -1.004 -2.585 1.00 0.00 H new ATOM 176 N SER A 12 -8.922 3.466 0.583 1.00 0.00 N ATOM 177 CA SER A 12 -9.532 4.740 0.224 1.00 0.00 C ATOM 178 C SER A 12 -8.708 5.446 -0.848 1.00 0.00 C ATOM 179 O SER A 12 -7.546 5.786 -0.622 1.00 0.00 O ATOM 180 CB SER A 12 -9.663 5.633 1.458 1.00 0.00 C ATOM 181 OG SER A 12 -9.898 6.982 1.090 1.00 0.00 O ATOM 0 H SER A 12 -7.926 3.522 0.798 1.00 0.00 H new ATOM 0 HA SER A 12 -10.527 4.543 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.481 5.276 2.084 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.753 5.569 2.055 1.00 0.00 H new ATOM 0 HG SER A 12 -9.979 7.532 1.897 1.00 0.00 H new ATOM 187 N SER A 13 -9.306 5.666 -2.014 1.00 0.00 N ATOM 188 CA SER A 13 -8.606 6.334 -3.105 1.00 0.00 C ATOM 189 C SER A 13 -9.560 7.164 -3.962 1.00 0.00 C ATOM 190 O SER A 13 -10.551 6.650 -4.482 1.00 0.00 O ATOM 191 CB SER A 13 -7.889 5.304 -3.974 1.00 0.00 C ATOM 192 OG SER A 13 -6.549 5.123 -3.545 1.00 0.00 O ATOM 0 H SER A 13 -10.266 5.394 -2.227 1.00 0.00 H new ATOM 0 HA SER A 13 -7.875 7.013 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.420 4.353 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.901 5.629 -5.014 1.00 0.00 H new ATOM 0 HG SER A 13 -6.383 4.171 -3.384 1.00 0.00 H new ATOM 198 N VAL A 14 -9.252 8.452 -4.101 1.00 0.00 N ATOM 199 CA VAL A 14 -10.077 9.358 -4.890 1.00 0.00 C ATOM 200 C VAL A 14 -9.233 10.301 -5.756 1.00 0.00 C ATOM 201 O VAL A 14 -9.775 11.082 -6.537 1.00 0.00 O ATOM 202 CB VAL A 14 -10.989 10.200 -3.983 1.00 0.00 C ATOM 203 CG1 VAL A 14 -11.935 9.302 -3.204 1.00 0.00 C ATOM 204 CG2 VAL A 14 -10.163 11.061 -3.040 1.00 0.00 C ATOM 0 H VAL A 14 -8.435 8.890 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.682 8.732 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.584 10.863 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.574 9.913 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.553 8.734 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.358 8.614 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.828 11.649 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.539 10.421 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.529 11.731 -3.620 1.00 0.00 H new ATOM 214 N THR A 15 -7.911 10.231 -5.613 1.00 0.00 N ATOM 215 CA THR A 15 -7.012 11.088 -6.386 1.00 0.00 C ATOM 216 C THR A 15 -6.577 10.407 -7.683 1.00 0.00 C ATOM 217 O THR A 15 -6.809 9.214 -7.877 1.00 0.00 O ATOM 218 CB THR A 15 -5.785 11.459 -5.551 1.00 0.00 C ATOM 219 OG1 THR A 15 -6.149 11.702 -4.203 1.00 0.00 O ATOM 220 CG2 THR A 15 -5.066 12.690 -6.059 1.00 0.00 C ATOM 0 H THR A 15 -7.439 9.593 -4.972 1.00 0.00 H new ATOM 0 HA THR A 15 -7.556 11.996 -6.646 1.00 0.00 H new ATOM 0 HB THR A 15 -5.113 10.605 -5.631 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.320 10.849 -3.751 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.206 12.898 -5.422 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.728 12.518 -7.081 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.746 13.542 -6.040 1.00 0.00 H new ATOM 228 N GLU A 16 -5.951 11.179 -8.570 1.00 0.00 N ATOM 229 CA GLU A 16 -5.488 10.657 -9.853 1.00 0.00 C ATOM 230 C GLU A 16 -4.351 9.655 -9.668 1.00 0.00 C ATOM 231 O GLU A 16 -4.276 8.653 -10.379 1.00 0.00 O ATOM 232 CB GLU A 16 -5.027 11.806 -10.752 1.00 0.00 C ATOM 233 CG GLU A 16 -5.748 11.860 -12.088 1.00 0.00 C ATOM 234 CD GLU A 16 -4.797 12.020 -13.258 1.00 0.00 C ATOM 235 OE1 GLU A 16 -4.231 11.001 -13.708 1.00 0.00 O ATOM 236 OE2 GLU A 16 -4.619 13.165 -13.726 1.00 0.00 O ATOM 0 H GLU A 16 -5.753 12.169 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.323 10.139 -10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.179 12.750 -10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.956 11.710 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.330 10.948 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.454 12.690 -12.082 1.00 0.00 H new ATOM 243 N GLU A 17 -3.474 9.927 -8.707 1.00 0.00 N ATOM 244 CA GLU A 17 -2.347 9.038 -8.433 1.00 0.00 C ATOM 245 C GLU A 17 -2.713 8.015 -7.363 1.00 0.00 C ATOM 246 O GLU A 17 -1.836 7.387 -6.769 1.00 0.00 O ATOM 247 CB GLU A 17 -1.117 9.834 -7.983 1.00 0.00 C ATOM 248 CG GLU A 17 -0.928 11.154 -8.716 1.00 0.00 C ATOM 249 CD GLU A 17 -0.811 12.335 -7.773 1.00 0.00 C ATOM 250 OE1 GLU A 17 -1.809 12.656 -7.096 1.00 0.00 O ATOM 251 OE2 GLU A 17 0.280 12.940 -7.713 1.00 0.00 O ATOM 0 H GLU A 17 -3.520 10.751 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.108 8.514 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.197 10.033 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.228 9.220 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.031 11.097 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.769 11.314 -9.390 1.00 0.00 H new ATOM 258 N GLU A 18 -4.010 7.852 -7.119 1.00 0.00 N ATOM 259 CA GLU A 18 -4.488 6.912 -6.119 1.00 0.00 C ATOM 260 C GLU A 18 -5.062 5.662 -6.776 1.00 0.00 C ATOM 261 O GLU A 18 -5.025 5.526 -7.998 1.00 0.00 O ATOM 262 CB GLU A 18 -5.553 7.568 -5.252 1.00 0.00 C ATOM 263 CG GLU A 18 -4.992 8.265 -4.024 1.00 0.00 C ATOM 264 CD GLU A 18 -6.060 8.604 -3.004 1.00 0.00 C ATOM 265 OE1 GLU A 18 -6.961 9.403 -3.332 1.00 0.00 O ATOM 266 OE2 GLU A 18 -5.997 8.069 -1.877 1.00 0.00 O ATOM 0 H GLU A 18 -4.748 8.362 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.642 6.620 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.102 8.293 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.269 6.810 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.242 7.625 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.485 9.180 -4.331 1.00 0.00 H new ATOM 273 N LEU A 19 -5.597 4.754 -5.961 1.00 0.00 N ATOM 274 CA LEU A 19 -6.174 3.520 -6.481 1.00 0.00 C ATOM 275 C LEU A 19 -7.151 2.887 -5.502 1.00 0.00 C ATOM 276 O LEU A 19 -6.880 2.801 -4.305 1.00 0.00 O ATOM 277 CB LEU A 19 -5.069 2.515 -6.790 1.00 0.00 C ATOM 278 CG LEU A 19 -4.954 2.125 -8.256 1.00 0.00 C ATOM 279 CD1 LEU A 19 -4.203 3.190 -9.037 1.00 0.00 C ATOM 280 CD2 LEU A 19 -4.281 0.768 -8.390 1.00 0.00 C ATOM 0 H LEU A 19 -5.642 4.850 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.718 3.780 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.116 2.932 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.241 1.614 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.957 2.049 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.132 2.892 -10.083 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.737 4.138 -8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.201 3.306 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.206 0.502 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.283 0.812 -7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.872 0.016 -7.867 1.00 0.00 H new ATOM 292 N ASN A 20 -8.273 2.409 -6.028 1.00 0.00 N ATOM 293 CA ASN A 20 -9.268 1.745 -5.201 1.00 0.00 C ATOM 294 C ASN A 20 -9.275 0.253 -5.504 1.00 0.00 C ATOM 295 O ASN A 20 -9.855 -0.192 -6.496 1.00 0.00 O ATOM 296 CB ASN A 20 -10.655 2.343 -5.444 1.00 0.00 C ATOM 297 CG ASN A 20 -11.003 2.422 -6.919 1.00 0.00 C ATOM 298 OD1 ASN A 20 -10.162 2.771 -7.749 1.00 0.00 O ATOM 299 ND2 ASN A 20 -12.246 2.096 -7.253 1.00 0.00 N ATOM 0 H ASN A 20 -8.514 2.469 -7.017 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.011 1.895 -4.152 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.403 1.739 -4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.698 3.342 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.537 2.129 -8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.910 1.812 -6.532 1.00 0.00 H new ATOM 306 N PHE A 21 -8.627 -0.512 -4.638 1.00 0.00 N ATOM 307 CA PHE A 21 -8.548 -1.962 -4.792 1.00 0.00 C ATOM 308 C PHE A 21 -8.843 -2.643 -3.460 1.00 0.00 C ATOM 309 O PHE A 21 -8.787 -2.002 -2.411 1.00 0.00 O ATOM 310 CB PHE A 21 -7.167 -2.377 -5.322 1.00 0.00 C ATOM 311 CG PHE A 21 -6.017 -1.588 -4.754 1.00 0.00 C ATOM 312 CD1 PHE A 21 -5.988 -1.226 -3.416 1.00 0.00 C ATOM 313 CD2 PHE A 21 -4.961 -1.210 -5.567 1.00 0.00 C ATOM 314 CE1 PHE A 21 -4.928 -0.502 -2.903 1.00 0.00 C ATOM 315 CE2 PHE A 21 -3.898 -0.488 -5.059 1.00 0.00 C ATOM 316 CZ PHE A 21 -3.882 -0.133 -3.725 1.00 0.00 C ATOM 0 H PHE A 21 -8.144 -0.152 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.295 -2.279 -5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.010 -3.433 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.162 -2.273 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.803 -1.513 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.969 -1.483 -6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.918 -0.225 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.081 -0.202 -5.705 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.053 0.432 -3.325 1.00 0.00 H new ATOM 326 N GLU A 22 -9.156 -3.933 -3.484 1.00 0.00 N ATOM 327 CA GLU A 22 -9.444 -4.643 -2.244 1.00 0.00 C ATOM 328 C GLU A 22 -8.167 -4.828 -1.440 1.00 0.00 C ATOM 329 O GLU A 22 -7.390 -5.752 -1.682 1.00 0.00 O ATOM 330 CB GLU A 22 -10.080 -5.997 -2.534 1.00 0.00 C ATOM 331 CG GLU A 22 -11.549 -5.904 -2.907 1.00 0.00 C ATOM 332 CD GLU A 22 -11.769 -5.839 -4.406 1.00 0.00 C ATOM 333 OE1 GLU A 22 -10.841 -6.204 -5.159 1.00 0.00 O ATOM 334 OE2 GLU A 22 -12.869 -5.424 -4.828 1.00 0.00 O ATOM 0 H GLU A 22 -9.216 -4.499 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.149 -4.049 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.536 -6.479 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.975 -6.635 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.078 -6.768 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.983 -5.019 -2.442 1.00 0.00 H new ATOM 341 N LYS A 23 -7.961 -3.937 -0.485 1.00 0.00 N ATOM 342 CA LYS A 23 -6.779 -3.978 0.368 1.00 0.00 C ATOM 343 C LYS A 23 -6.869 -5.092 1.402 1.00 0.00 C ATOM 344 O LYS A 23 -7.900 -5.271 2.051 1.00 0.00 O ATOM 345 CB LYS A 23 -6.577 -2.634 1.071 1.00 0.00 C ATOM 346 CG LYS A 23 -5.236 -2.513 1.784 1.00 0.00 C ATOM 347 CD LYS A 23 -4.075 -2.920 0.884 1.00 0.00 C ATOM 348 CE LYS A 23 -4.094 -2.166 -0.436 1.00 0.00 C ATOM 349 NZ LYS A 23 -3.081 -2.692 -1.392 1.00 0.00 N ATOM 0 H LYS A 23 -8.601 -3.170 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.922 -4.181 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.662 -1.833 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.378 -2.488 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.094 -1.485 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.241 -3.140 2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.133 -2.730 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.123 -3.992 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.086 -2.240 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.905 -1.108 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.487 -1.910 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.484 -3.396 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.563 -3.138 -2.198 1.00 0.00 H new ATOM 363 N GLY A 24 -5.774 -5.821 1.565 1.00 0.00 N ATOM 364 CA GLY A 24 -5.734 -6.890 2.538 1.00 0.00 C ATOM 365 C GLY A 24 -4.908 -6.507 3.749 1.00 0.00 C ATOM 366 O GLY A 24 -4.666 -5.325 3.991 1.00 0.00 O ATOM 0 H GLY A 24 -4.911 -5.689 1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.748 -7.137 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.315 -7.786 2.079 1.00 0.00 H new ATOM 370 N GLU A 25 -4.470 -7.500 4.506 1.00 0.00 N ATOM 371 CA GLU A 25 -3.664 -7.259 5.688 1.00 0.00 C ATOM 372 C GLU A 25 -2.178 -7.367 5.373 1.00 0.00 C ATOM 373 O GLU A 25 -1.369 -7.630 6.259 1.00 0.00 O ATOM 374 CB GLU A 25 -4.035 -8.240 6.794 1.00 0.00 C ATOM 375 CG GLU A 25 -4.144 -7.572 8.145 1.00 0.00 C ATOM 376 CD GLU A 25 -4.837 -8.441 9.177 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.593 -9.666 9.182 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.622 -7.896 9.981 1.00 0.00 O ATOM 0 H GLU A 25 -4.661 -8.485 4.320 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.868 -6.244 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.985 -8.716 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.285 -9.030 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.146 -7.319 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.691 -6.635 8.039 1.00 0.00 H new ATOM 385 N THR A 26 -1.831 -7.158 4.109 1.00 0.00 N ATOM 386 CA THR A 26 -0.438 -7.225 3.675 1.00 0.00 C ATOM 387 C THR A 26 -0.262 -6.709 2.251 1.00 0.00 C ATOM 388 O THR A 26 -0.869 -7.214 1.307 1.00 0.00 O ATOM 389 CB THR A 26 0.099 -8.649 3.746 1.00 0.00 C ATOM 390 OG1 THR A 26 -0.898 -9.586 3.385 1.00 0.00 O ATOM 391 CG2 THR A 26 0.628 -9.036 5.111 1.00 0.00 C ATOM 0 H THR A 26 -2.494 -6.941 3.365 1.00 0.00 H new ATOM 0 HA THR A 26 0.124 -6.588 4.358 1.00 0.00 H new ATOM 0 HB THR A 26 0.930 -8.669 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.529 -10.492 3.437 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.992 -10.063 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.444 -8.369 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.172 -8.955 5.847 1.00 0.00 H new ATOM 399 N MET A 27 0.599 -5.716 2.118 1.00 0.00 N ATOM 400 CA MET A 27 0.917 -5.115 0.828 1.00 0.00 C ATOM 401 C MET A 27 2.417 -4.835 0.754 1.00 0.00 C ATOM 402 O MET A 27 3.096 -4.850 1.771 1.00 0.00 O ATOM 403 CB MET A 27 0.107 -3.833 0.603 1.00 0.00 C ATOM 404 CG MET A 27 0.697 -2.601 1.268 1.00 0.00 C ATOM 405 SD MET A 27 -0.531 -1.631 2.161 1.00 0.00 S ATOM 406 CE MET A 27 -1.484 -0.958 0.802 1.00 0.00 C ATOM 0 H MET A 27 1.101 -5.300 2.902 1.00 0.00 H new ATOM 0 HA MET A 27 0.646 -5.813 0.036 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.026 -3.651 -0.469 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.905 -3.985 0.978 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.483 -2.908 1.959 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.166 -1.974 0.510 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.511 -0.790 1.126 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.045 -0.013 0.482 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.477 -1.661 -0.031 1.00 0.00 H new ATOM 416 N GLU A 28 2.931 -4.583 -0.438 1.00 0.00 N ATOM 417 CA GLU A 28 4.356 -4.296 -0.605 1.00 0.00 C ATOM 418 C GLU A 28 4.546 -2.926 -1.243 1.00 0.00 C ATOM 419 O GLU A 28 4.071 -2.684 -2.349 1.00 0.00 O ATOM 420 CB GLU A 28 5.006 -5.349 -1.483 1.00 0.00 C ATOM 421 CG GLU A 28 4.709 -6.778 -1.062 1.00 0.00 C ATOM 422 CD GLU A 28 4.144 -7.617 -2.192 1.00 0.00 C ATOM 423 OE1 GLU A 28 4.906 -7.944 -3.126 1.00 0.00 O ATOM 424 OE2 GLU A 28 2.940 -7.947 -2.143 1.00 0.00 O ATOM 0 H GLU A 28 2.391 -4.570 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 28 4.825 -4.306 0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.671 -5.207 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.085 -5.197 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.624 -7.241 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.001 -6.768 -0.233 1.00 0.00 H new ATOM 431 N VAL A 29 5.239 -2.034 -0.548 1.00 0.00 N ATOM 432 CA VAL A 29 5.471 -0.689 -1.059 1.00 0.00 C ATOM 433 C VAL A 29 6.851 -0.559 -1.698 1.00 0.00 C ATOM 434 O VAL A 29 7.866 -0.935 -1.109 1.00 0.00 O ATOM 435 CB VAL A 29 5.297 0.366 0.057 1.00 0.00 C ATOM 436 CG1 VAL A 29 5.870 1.716 -0.355 1.00 0.00 C ATOM 437 CG2 VAL A 29 3.826 0.498 0.426 1.00 0.00 C ATOM 0 H VAL A 29 5.649 -2.216 0.368 1.00 0.00 H new ATOM 0 HA VAL A 29 4.724 -0.506 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 29 5.853 0.028 0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.730 2.433 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.934 1.610 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.357 2.072 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.714 1.244 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.257 0.808 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.452 -0.463 0.780 1.00 0.00 H new ATOM 447 N ILE A 30 6.870 -0.019 -2.913 1.00 0.00 N ATOM 448 CA ILE A 30 8.113 0.174 -3.658 1.00 0.00 C ATOM 449 C ILE A 30 8.835 1.446 -3.210 1.00 0.00 C ATOM 450 O ILE A 30 9.728 1.393 -2.364 1.00 0.00 O ATOM 451 CB ILE A 30 7.873 0.234 -5.189 1.00 0.00 C ATOM 452 CG1 ILE A 30 6.483 0.805 -5.510 1.00 0.00 C ATOM 453 CG2 ILE A 30 8.051 -1.143 -5.811 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.403 -0.245 -5.684 1.00 0.00 C ATOM 0 H ILE A 30 6.034 0.295 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 30 8.738 -0.692 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 30 8.615 0.905 -5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.188 1.484 -4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.548 1.397 -6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.879 -1.082 -6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.065 -1.498 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.337 -1.837 -5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.454 0.243 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.671 -0.911 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.306 -0.823 -4.765 1.00 0.00 H new ATOM 466 N GLU A 31 8.446 2.586 -3.778 1.00 0.00 N ATOM 467 CA GLU A 31 9.061 3.861 -3.431 1.00 0.00 C ATOM 468 C GLU A 31 8.741 4.242 -1.990 1.00 0.00 C ATOM 469 O GLU A 31 7.672 3.915 -1.472 1.00 0.00 O ATOM 470 CB GLU A 31 8.583 4.959 -4.385 1.00 0.00 C ATOM 471 CG GLU A 31 7.085 5.212 -4.326 1.00 0.00 C ATOM 472 CD GLU A 31 6.579 5.990 -5.524 1.00 0.00 C ATOM 473 OE1 GLU A 31 6.716 5.489 -6.660 1.00 0.00 O ATOM 474 OE2 GLU A 31 6.046 7.103 -5.328 1.00 0.00 O ATOM 0 H GLU A 31 7.708 2.651 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 31 10.142 3.755 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.108 5.885 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.856 4.686 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.561 4.258 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.848 5.761 -3.414 1.00 0.00 H new ATOM 481 N LYS A 32 9.679 4.926 -1.345 1.00 0.00 N ATOM 482 CA LYS A 32 9.507 5.343 0.040 1.00 0.00 C ATOM 483 C LYS A 32 9.339 6.857 0.144 1.00 0.00 C ATOM 484 O LYS A 32 9.718 7.597 -0.765 1.00 0.00 O ATOM 485 CB LYS A 32 10.701 4.885 0.879 1.00 0.00 C ATOM 486 CG LYS A 32 10.516 3.514 1.519 1.00 0.00 C ATOM 487 CD LYS A 32 9.864 2.523 0.563 1.00 0.00 C ATOM 488 CE LYS A 32 9.581 1.195 1.245 1.00 0.00 C ATOM 489 NZ LYS A 32 10.694 0.225 1.057 1.00 0.00 N ATOM 0 H LYS A 32 10.568 5.204 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 32 8.600 4.876 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.589 4.864 0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.885 5.619 1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.485 3.128 1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.902 3.611 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.933 2.943 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.516 2.361 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.421 1.361 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.659 0.771 0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.461 -0.668 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.831 0.046 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.568 0.618 1.460 1.00 0.00 H new ATOM 503 N PRO A 33 8.758 7.339 1.258 1.00 0.00 N ATOM 504 CA PRO A 33 8.530 8.772 1.480 1.00 0.00 C ATOM 505 C PRO A 33 9.823 9.564 1.671 1.00 0.00 C ATOM 506 O PRO A 33 9.791 10.784 1.839 1.00 0.00 O ATOM 507 CB PRO A 33 7.681 8.821 2.761 1.00 0.00 C ATOM 508 CG PRO A 33 7.226 7.418 2.999 1.00 0.00 C ATOM 509 CD PRO A 33 8.270 6.533 2.385 1.00 0.00 C ATOM 0 HA PRO A 33 8.049 9.229 0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.265 9.191 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.831 9.493 2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.123 7.217 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.250 7.242 2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.068 6.299 3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.851 5.584 2.052 1.00 0.00 H new ATOM 517 N GLU A 34 10.955 8.873 1.641 1.00 0.00 N ATOM 518 CA GLU A 34 12.251 9.524 1.807 1.00 0.00 C ATOM 519 C GLU A 34 12.462 10.579 0.726 1.00 0.00 C ATOM 520 O GLU A 34 12.874 11.703 1.012 1.00 0.00 O ATOM 521 CB GLU A 34 13.377 8.489 1.755 1.00 0.00 C ATOM 522 CG GLU A 34 13.374 7.648 0.489 1.00 0.00 C ATOM 523 CD GLU A 34 14.455 6.584 0.494 1.00 0.00 C ATOM 524 OE1 GLU A 34 14.712 6.006 1.571 1.00 0.00 O ATOM 525 OE2 GLU A 34 15.043 6.329 -0.578 1.00 0.00 O ATOM 0 H GLU A 34 11.004 7.863 1.504 1.00 0.00 H new ATOM 0 HA GLU A 34 12.267 10.014 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.335 9.002 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.293 7.830 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.400 7.171 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.513 8.298 -0.375 1.00 0.00 H new ATOM 532 N ASN A 35 12.166 10.208 -0.514 1.00 0.00 N ATOM 533 CA ASN A 35 12.310 11.118 -1.643 1.00 0.00 C ATOM 534 C ASN A 35 10.940 11.568 -2.142 1.00 0.00 C ATOM 535 O ASN A 35 10.784 12.676 -2.654 1.00 0.00 O ATOM 536 CB ASN A 35 13.082 10.442 -2.777 1.00 0.00 C ATOM 537 CG ASN A 35 12.572 9.044 -3.073 1.00 0.00 C ATOM 538 OD1 ASN A 35 11.435 8.704 -2.746 1.00 0.00 O ATOM 539 ND2 ASN A 35 13.413 8.227 -3.696 1.00 0.00 N ATOM 0 H ASN A 35 11.824 9.280 -0.763 1.00 0.00 H new ATOM 0 HA ASN A 35 12.868 11.993 -1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.006 11.051 -3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.139 10.392 -2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.126 7.275 -3.922 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.347 8.552 -3.948 1.00 0.00 H new ATOM 546 N ASP A 36 9.951 10.695 -1.980 1.00 0.00 N ATOM 547 CA ASP A 36 8.587 10.987 -2.403 1.00 0.00 C ATOM 548 C ASP A 36 7.942 12.012 -1.469 1.00 0.00 C ATOM 549 O ASP A 36 8.249 12.053 -0.278 1.00 0.00 O ATOM 550 CB ASP A 36 7.764 9.692 -2.422 1.00 0.00 C ATOM 551 CG ASP A 36 6.277 9.938 -2.602 1.00 0.00 C ATOM 552 OD1 ASP A 36 5.642 10.452 -1.657 1.00 0.00 O ATOM 553 OD2 ASP A 36 5.749 9.615 -3.686 1.00 0.00 O ATOM 0 H ASP A 36 10.070 9.775 -1.556 1.00 0.00 H new ATOM 0 HA ASP A 36 8.612 11.410 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.121 9.053 -3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.927 9.150 -1.490 1.00 0.00 H new ATOM 558 N PRO A 37 7.036 12.856 -1.999 1.00 0.00 N ATOM 559 CA PRO A 37 6.344 13.881 -1.217 1.00 0.00 C ATOM 560 C PRO A 37 5.929 13.386 0.170 1.00 0.00 C ATOM 561 O PRO A 37 6.560 13.728 1.169 1.00 0.00 O ATOM 562 CB PRO A 37 5.108 14.220 -2.073 1.00 0.00 C ATOM 563 CG PRO A 37 5.173 13.324 -3.273 1.00 0.00 C ATOM 564 CD PRO A 37 6.605 12.889 -3.398 1.00 0.00 C ATOM 0 HA PRO A 37 6.985 14.740 -1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.188 14.054 -1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.115 15.269 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.515 12.464 -3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.847 13.851 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.695 11.913 -3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.194 13.589 -3.990 1.00 0.00 H new ATOM 572 N GLU A 38 4.868 12.584 0.231 1.00 0.00 N ATOM 573 CA GLU A 38 4.390 12.060 1.510 1.00 0.00 C ATOM 574 C GLU A 38 3.490 10.836 1.338 1.00 0.00 C ATOM 575 O GLU A 38 2.800 10.434 2.275 1.00 0.00 O ATOM 576 CB GLU A 38 3.630 13.147 2.266 1.00 0.00 C ATOM 577 CG GLU A 38 3.533 12.894 3.762 1.00 0.00 C ATOM 578 CD GLU A 38 3.722 14.155 4.581 1.00 0.00 C ATOM 579 OE1 GLU A 38 3.489 15.256 4.038 1.00 0.00 O ATOM 580 OE2 GLU A 38 4.104 14.043 5.765 1.00 0.00 O ATOM 0 H GLU A 38 4.327 12.285 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 38 5.267 11.749 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.122 14.105 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.624 13.229 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.560 12.459 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.286 12.161 4.052 1.00 0.00 H new ATOM 587 N TRP A 39 3.496 10.241 0.150 1.00 0.00 N ATOM 588 CA TRP A 39 2.674 9.064 -0.114 1.00 0.00 C ATOM 589 C TRP A 39 3.439 8.038 -0.937 1.00 0.00 C ATOM 590 O TRP A 39 4.253 8.394 -1.788 1.00 0.00 O ATOM 591 CB TRP A 39 1.390 9.462 -0.844 1.00 0.00 C ATOM 592 CG TRP A 39 0.639 10.566 -0.167 1.00 0.00 C ATOM 593 CD1 TRP A 39 0.318 10.647 1.157 1.00 0.00 C ATOM 594 CD2 TRP A 39 0.112 11.747 -0.781 1.00 0.00 C ATOM 595 NE1 TRP A 39 -0.375 11.808 1.405 1.00 0.00 N ATOM 596 CE2 TRP A 39 -0.514 12.500 0.230 1.00 0.00 C ATOM 597 CE3 TRP A 39 0.111 12.241 -2.088 1.00 0.00 C ATOM 598 CZ2 TRP A 39 -1.134 13.720 -0.025 1.00 0.00 C ATOM 599 CZ3 TRP A 39 -0.505 13.452 -2.341 1.00 0.00 C ATOM 600 CH2 TRP A 39 -1.121 14.179 -1.314 1.00 0.00 C ATOM 0 H TRP A 39 4.058 10.552 -0.642 1.00 0.00 H new ATOM 0 HA TRP A 39 2.415 8.615 0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.639 9.771 -1.859 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.742 8.589 -0.926 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.572 9.907 1.901 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.728 12.106 2.314 1.00 0.00 H new ATOM 0 HE3 TRP A 39 0.583 11.687 -2.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.608 14.283 0.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.512 13.844 -3.347 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.596 15.121 -1.544 1.00 0.00 H new ATOM 611 N TRP A 40 3.173 6.762 -0.684 1.00 0.00 N ATOM 612 CA TRP A 40 3.839 5.689 -1.409 1.00 0.00 C ATOM 613 C TRP A 40 2.857 4.944 -2.311 1.00 0.00 C ATOM 614 O TRP A 40 1.670 5.262 -2.344 1.00 0.00 O ATOM 615 CB TRP A 40 4.504 4.720 -0.431 1.00 0.00 C ATOM 616 CG TRP A 40 3.626 4.324 0.717 1.00 0.00 C ATOM 617 CD1 TRP A 40 2.279 4.129 0.685 1.00 0.00 C ATOM 618 CD2 TRP A 40 4.035 4.080 2.064 1.00 0.00 C ATOM 619 NE1 TRP A 40 1.821 3.761 1.930 1.00 0.00 N ATOM 620 CE2 TRP A 40 2.886 3.727 2.795 1.00 0.00 C ATOM 621 CE3 TRP A 40 5.265 4.120 2.724 1.00 0.00 C ATOM 622 CZ2 TRP A 40 2.938 3.417 4.152 1.00 0.00 C ATOM 623 CZ3 TRP A 40 5.312 3.816 4.069 1.00 0.00 C ATOM 624 CH2 TRP A 40 4.155 3.468 4.769 1.00 0.00 C ATOM 0 H TRP A 40 2.502 6.446 0.016 1.00 0.00 H new ATOM 0 HA TRP A 40 4.608 6.133 -2.041 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.807 3.823 -0.971 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.413 5.179 -0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.659 4.246 -0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.852 3.549 2.169 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.166 4.385 2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.046 3.146 4.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.258 3.848 4.588 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.224 3.234 5.821 1.00 0.00 H new ATOM 635 N LYS A 41 3.366 3.958 -3.043 1.00 0.00 N ATOM 636 CA LYS A 41 2.546 3.167 -3.954 1.00 0.00 C ATOM 637 C LYS A 41 2.962 1.705 -3.937 1.00 0.00 C ATOM 638 O LYS A 41 4.149 1.385 -3.934 1.00 0.00 O ATOM 639 CB LYS A 41 2.607 3.714 -5.379 1.00 0.00 C ATOM 640 CG LYS A 41 4.001 4.028 -5.863 1.00 0.00 C ATOM 641 CD LYS A 41 4.619 2.826 -6.540 1.00 0.00 C ATOM 642 CE LYS A 41 4.110 2.615 -7.963 1.00 0.00 C ATOM 643 NZ LYS A 41 3.246 3.731 -8.449 1.00 0.00 N ATOM 0 H LYS A 41 4.349 3.687 -3.022 1.00 0.00 H new ATOM 0 HA LYS A 41 1.516 3.239 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.155 2.988 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.003 4.620 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.969 4.866 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.622 4.336 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.702 2.945 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.408 1.935 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.962 2.505 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.547 1.683 -8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.974 3.554 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.391 3.790 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.770 4.627 -8.389 1.00 0.00 H new ATOM 657 N CYS A 42 1.977 0.817 -3.918 1.00 0.00 N ATOM 658 CA CYS A 42 2.243 -0.611 -3.902 1.00 0.00 C ATOM 659 C CYS A 42 1.381 -1.314 -4.938 1.00 0.00 C ATOM 660 O CYS A 42 0.329 -0.805 -5.323 1.00 0.00 O ATOM 661 CB CYS A 42 1.972 -1.201 -2.515 1.00 0.00 C ATOM 662 SG CYS A 42 0.456 -0.602 -1.732 1.00 0.00 S ATOM 0 H CYS A 42 0.987 1.063 -3.913 1.00 0.00 H new ATOM 0 HA CYS A 42 3.295 -0.764 -4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.919 -2.286 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.817 -0.973 -1.865 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.432 -0.344 -2.646 1.00 0.00 H new ATOM 668 N LYS A 43 1.826 -2.483 -5.387 1.00 0.00 N ATOM 669 CA LYS A 43 1.089 -3.239 -6.396 1.00 0.00 C ATOM 670 C LYS A 43 0.123 -4.224 -5.757 1.00 0.00 C ATOM 671 O LYS A 43 0.448 -4.907 -4.786 1.00 0.00 O ATOM 672 CB LYS A 43 2.052 -3.978 -7.332 1.00 0.00 C ATOM 673 CG LYS A 43 3.266 -4.568 -6.631 1.00 0.00 C ATOM 674 CD LYS A 43 4.063 -5.475 -7.559 1.00 0.00 C ATOM 675 CE LYS A 43 4.529 -4.734 -8.805 1.00 0.00 C ATOM 676 NZ LYS A 43 5.079 -3.389 -8.482 1.00 0.00 N ATOM 0 H LYS A 43 2.688 -2.926 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 43 0.509 -2.525 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.510 -4.779 -7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.391 -3.289 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.906 -3.763 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.943 -5.134 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.927 -5.872 -7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.449 -6.327 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.291 -5.324 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.694 -4.627 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.795 -3.128 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.311 -2.688 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.516 -3.410 -7.538 1.00 0.00 H new ATOM 690 N ASN A 44 -1.077 -4.269 -6.323 1.00 0.00 N ATOM 691 CA ASN A 44 -2.136 -5.135 -5.850 1.00 0.00 C ATOM 692 C ASN A 44 -2.433 -6.196 -6.888 1.00 0.00 C ATOM 693 O ASN A 44 -1.885 -6.171 -7.990 1.00 0.00 O ATOM 694 CB ASN A 44 -3.399 -4.311 -5.575 1.00 0.00 C ATOM 695 CG ASN A 44 -4.279 -4.935 -4.511 1.00 0.00 C ATOM 696 OD1 ASN A 44 -5.478 -5.128 -4.716 1.00 0.00 O ATOM 697 ND2 ASN A 44 -3.689 -5.253 -3.365 1.00 0.00 N ATOM 0 H ASN A 44 -1.339 -3.700 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.816 -5.617 -4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.113 -3.307 -5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.969 -4.207 -6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.232 -5.675 -2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.693 -5.076 -3.238 1.00 0.00 H new ATOM 704 N ALA A 45 -3.311 -7.119 -6.542 1.00 0.00 N ATOM 705 CA ALA A 45 -3.682 -8.172 -7.465 1.00 0.00 C ATOM 706 C ALA A 45 -4.597 -7.634 -8.566 1.00 0.00 C ATOM 707 O ALA A 45 -5.030 -8.377 -9.446 1.00 0.00 O ATOM 708 CB ALA A 45 -4.346 -9.318 -6.720 1.00 0.00 C ATOM 0 H ALA A 45 -3.777 -7.160 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.776 -8.549 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.619 -10.102 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.654 -9.721 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.242 -8.954 -6.217 1.00 0.00 H new ATOM 714 N ARG A 46 -4.880 -6.333 -8.510 1.00 0.00 N ATOM 715 CA ARG A 46 -5.731 -5.683 -9.493 1.00 0.00 C ATOM 716 C ARG A 46 -4.920 -5.292 -10.739 1.00 0.00 C ATOM 717 O ARG A 46 -5.481 -4.862 -11.746 1.00 0.00 O ATOM 718 CB ARG A 46 -6.424 -4.474 -8.841 1.00 0.00 C ATOM 719 CG ARG A 46 -6.453 -3.218 -9.688 1.00 0.00 C ATOM 720 CD ARG A 46 -7.453 -2.201 -9.159 1.00 0.00 C ATOM 721 NE ARG A 46 -8.699 -2.825 -8.720 1.00 0.00 N ATOM 722 CZ ARG A 46 -9.614 -3.316 -9.551 1.00 0.00 C ATOM 723 NH1 ARG A 46 -9.427 -3.263 -10.863 1.00 0.00 N ATOM 724 NH2 ARG A 46 -10.719 -3.863 -9.066 1.00 0.00 N ATOM 0 H ARG A 46 -4.526 -5.708 -7.786 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.503 -6.374 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.449 -4.751 -8.594 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.920 -4.249 -7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.459 -2.772 -9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.709 -3.478 -10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.008 -1.657 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.670 -1.469 -9.937 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.878 -2.888 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.577 -2.844 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.133 -3.642 -11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.866 -3.907 -8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.422 -4.240 -9.701 1.00 0.00 H new ATOM 738 N GLY A 47 -3.596 -5.471 -10.670 1.00 0.00 N ATOM 739 CA GLY A 47 -2.739 -5.158 -11.804 1.00 0.00 C ATOM 740 C GLY A 47 -2.268 -3.714 -11.828 1.00 0.00 C ATOM 741 O GLY A 47 -1.296 -3.385 -12.508 1.00 0.00 O ATOM 0 H GLY A 47 -3.106 -5.827 -9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.870 -5.815 -11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.279 -5.371 -12.727 1.00 0.00 H new ATOM 745 N GLN A 48 -2.957 -2.854 -11.089 1.00 0.00 N ATOM 746 CA GLN A 48 -2.610 -1.442 -11.028 1.00 0.00 C ATOM 747 C GLN A 48 -2.237 -1.041 -9.613 1.00 0.00 C ATOM 748 O GLN A 48 -2.891 -1.444 -8.652 1.00 0.00 O ATOM 749 CB GLN A 48 -3.773 -0.576 -11.515 1.00 0.00 C ATOM 750 CG GLN A 48 -3.714 -0.246 -12.999 1.00 0.00 C ATOM 751 CD GLN A 48 -2.377 0.334 -13.416 1.00 0.00 C ATOM 752 OE1 GLN A 48 -1.563 -0.343 -14.044 1.00 0.00 O ATOM 753 NE2 GLN A 48 -2.142 1.593 -13.065 1.00 0.00 N ATOM 0 H GLN A 48 -3.764 -3.113 -10.521 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.752 -1.283 -11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.710 -1.091 -11.304 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.785 0.354 -10.946 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.909 -1.150 -13.576 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.505 0.464 -13.241 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.845 2.117 -12.545 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.258 2.036 -13.316 1.00 0.00 H new ATOM 762 N VAL A 49 -1.193 -0.235 -9.486 1.00 0.00 N ATOM 763 CA VAL A 49 -0.758 0.234 -8.181 1.00 0.00 C ATOM 764 C VAL A 49 -0.913 1.741 -8.079 1.00 0.00 C ATOM 765 O VAL A 49 -0.410 2.488 -8.917 1.00 0.00 O ATOM 766 CB VAL A 49 0.708 -0.146 -7.869 1.00 0.00 C ATOM 767 CG1 VAL A 49 1.487 -0.425 -9.132 1.00 0.00 C ATOM 768 CG2 VAL A 49 1.389 0.938 -7.043 1.00 0.00 C ATOM 0 H VAL A 49 -0.634 0.106 -10.268 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.395 -0.260 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 49 0.690 -1.063 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.513 -0.689 -8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.023 -1.252 -9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.488 0.464 -9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.419 0.646 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.382 1.876 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.854 1.068 -6.102 1.00 0.00 H new ATOM 778 N GLY A 50 -1.595 2.178 -7.036 1.00 0.00 N ATOM 779 CA GLY A 50 -1.787 3.592 -6.826 1.00 0.00 C ATOM 780 C GLY A 50 -1.051 4.073 -5.602 1.00 0.00 C ATOM 781 O GLY A 50 0.031 3.586 -5.292 1.00 0.00 O ATOM 0 H GLY A 50 -2.020 1.577 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.439 4.141 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.851 3.804 -6.719 1.00 0.00 H new ATOM 785 N LEU A 51 -1.644 5.018 -4.899 1.00 0.00 N ATOM 786 CA LEU A 51 -1.036 5.554 -3.693 1.00 0.00 C ATOM 787 C LEU A 51 -1.868 5.192 -2.470 1.00 0.00 C ATOM 788 O LEU A 51 -3.019 5.609 -2.339 1.00 0.00 O ATOM 789 CB LEU A 51 -0.875 7.070 -3.810 1.00 0.00 C ATOM 790 CG LEU A 51 0.552 7.564 -4.092 1.00 0.00 C ATOM 791 CD1 LEU A 51 1.252 6.695 -5.129 1.00 0.00 C ATOM 792 CD2 LEU A 51 0.515 9.009 -4.553 1.00 0.00 C ATOM 0 H LEU A 51 -2.545 5.431 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.047 5.111 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.528 7.427 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.223 7.527 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 51 1.123 7.494 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.259 7.075 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.309 5.669 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.690 6.718 -6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.530 9.354 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.079 9.085 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.067 9.628 -3.775 1.00 0.00 H new ATOM 804 N VAL A 52 -1.277 4.406 -1.583 1.00 0.00 N ATOM 805 CA VAL A 52 -1.961 3.971 -0.370 1.00 0.00 C ATOM 806 C VAL A 52 -1.675 4.925 0.788 1.00 0.00 C ATOM 807 O VAL A 52 -0.550 5.391 0.965 1.00 0.00 O ATOM 808 CB VAL A 52 -1.560 2.518 0.024 1.00 0.00 C ATOM 809 CG1 VAL A 52 -0.119 2.236 -0.362 1.00 0.00 C ATOM 810 CG2 VAL A 52 -1.767 2.244 1.516 1.00 0.00 C ATOM 0 H VAL A 52 -0.324 4.055 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.030 3.983 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.218 1.847 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.141 1.216 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.001 2.354 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.539 2.935 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.474 1.219 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.157 2.933 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.818 2.385 1.769 1.00 0.00 H new ATOM 820 N PRO A 53 -2.702 5.204 1.607 1.00 0.00 N ATOM 821 CA PRO A 53 -2.588 6.083 2.782 1.00 0.00 C ATOM 822 C PRO A 53 -1.622 5.519 3.811 1.00 0.00 C ATOM 823 O PRO A 53 -2.009 4.720 4.663 1.00 0.00 O ATOM 824 CB PRO A 53 -4.007 6.067 3.353 1.00 0.00 C ATOM 825 CG PRO A 53 -4.530 4.756 2.897 1.00 0.00 C ATOM 826 CD PRO A 53 -4.064 4.662 1.484 1.00 0.00 C ATOM 0 HA PRO A 53 -2.214 7.074 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.006 6.146 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.605 6.895 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.141 3.937 3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.617 4.713 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.069 3.637 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.683 5.249 0.805 1.00 0.00 H new ATOM 834 N LYS A 54 -0.365 5.926 3.729 1.00 0.00 N ATOM 835 CA LYS A 54 0.647 5.442 4.657 1.00 0.00 C ATOM 836 C LYS A 54 0.224 5.637 6.109 1.00 0.00 C ATOM 837 O LYS A 54 0.713 4.951 7.007 1.00 0.00 O ATOM 838 CB LYS A 54 1.963 6.147 4.408 1.00 0.00 C ATOM 839 CG LYS A 54 1.908 7.622 4.712 1.00 0.00 C ATOM 840 CD LYS A 54 2.610 7.943 6.022 1.00 0.00 C ATOM 841 CE LYS A 54 2.720 9.443 6.251 1.00 0.00 C ATOM 842 NZ LYS A 54 3.414 9.757 7.532 1.00 0.00 N ATOM 0 H LYS A 54 -0.021 6.587 3.033 1.00 0.00 H new ATOM 0 HA LYS A 54 0.766 4.373 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.738 5.684 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.252 6.007 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.375 8.180 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.869 7.946 4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.063 7.488 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.607 7.502 6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.262 9.899 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.723 9.884 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.470 10.788 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.883 9.344 8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.374 9.358 7.513 1.00 0.00 H new ATOM 856 N ASN A 55 -0.682 6.578 6.328 1.00 0.00 N ATOM 857 CA ASN A 55 -1.175 6.870 7.668 1.00 0.00 C ATOM 858 C ASN A 55 -2.216 5.846 8.108 1.00 0.00 C ATOM 859 O ASN A 55 -2.589 5.794 9.279 1.00 0.00 O ATOM 860 CB ASN A 55 -1.785 8.269 7.713 1.00 0.00 C ATOM 861 CG ASN A 55 -1.397 9.036 8.964 1.00 0.00 C ATOM 862 OD1 ASN A 55 -1.028 8.445 9.979 1.00 0.00 O ATOM 863 ND2 ASN A 55 -1.478 10.361 8.896 1.00 0.00 N ATOM 0 H ASN A 55 -1.092 7.155 5.594 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.328 6.819 8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.465 8.829 6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.871 8.189 7.662 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.229 10.929 9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.789 10.809 8.034 1.00 0.00 H new ATOM 870 N TYR A 56 -2.684 5.035 7.165 1.00 0.00 N ATOM 871 CA TYR A 56 -3.684 4.018 7.462 1.00 0.00 C ATOM 872 C TYR A 56 -3.085 2.623 7.374 1.00 0.00 C ATOM 873 O TYR A 56 -3.814 1.634 7.288 1.00 0.00 O ATOM 874 CB TYR A 56 -4.862 4.120 6.489 1.00 0.00 C ATOM 875 CG TYR A 56 -5.500 5.491 6.412 1.00 0.00 C ATOM 876 CD1 TYR A 56 -5.279 6.446 7.394 1.00 0.00 C ATOM 877 CD2 TYR A 56 -6.331 5.822 5.350 1.00 0.00 C ATOM 878 CE1 TYR A 56 -5.867 7.694 7.321 1.00 0.00 C ATOM 879 CE2 TYR A 56 -6.924 7.066 5.269 1.00 0.00 C ATOM 880 CZ TYR A 56 -6.690 8.000 6.257 1.00 0.00 C ATOM 881 OH TYR A 56 -7.278 9.241 6.180 1.00 0.00 O ATOM 0 H TYR A 56 -2.387 5.063 6.190 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.036 4.191 8.479 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.520 3.837 5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.622 3.396 6.782 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.637 6.210 8.229 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.517 5.094 4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.683 8.426 8.093 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.568 7.307 4.436 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.826 9.294 5.369 1.00 0.00 H new ATOM 891 N VAL A 57 -1.759 2.539 7.376 1.00 0.00 N ATOM 892 CA VAL A 57 -1.101 1.243 7.275 1.00 0.00 C ATOM 893 C VAL A 57 0.151 1.152 8.145 1.00 0.00 C ATOM 894 O VAL A 57 0.678 2.160 8.618 1.00 0.00 O ATOM 895 CB VAL A 57 -0.721 0.909 5.809 1.00 0.00 C ATOM 896 CG1 VAL A 57 -1.693 1.549 4.829 1.00 0.00 C ATOM 897 CG2 VAL A 57 0.700 1.350 5.495 1.00 0.00 C ATOM 0 H VAL A 57 -1.129 3.338 7.445 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.827 0.515 7.638 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.780 -0.174 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.401 1.297 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.700 1.178 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.676 2.632 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.938 1.103 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.787 2.427 5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.395 0.837 6.160 1.00 0.00 H new ATOM 907 N VAL A 58 0.629 -0.076 8.317 1.00 0.00 N ATOM 908 CA VAL A 58 1.831 -0.343 9.089 1.00 0.00 C ATOM 909 C VAL A 58 2.838 -1.085 8.214 1.00 0.00 C ATOM 910 O VAL A 58 2.586 -2.211 7.784 1.00 0.00 O ATOM 911 CB VAL A 58 1.526 -1.168 10.358 1.00 0.00 C ATOM 912 CG1 VAL A 58 1.031 -2.560 10.001 1.00 0.00 C ATOM 913 CG2 VAL A 58 2.756 -1.244 11.250 1.00 0.00 C ATOM 0 H VAL A 58 0.193 -0.911 7.925 1.00 0.00 H new ATOM 0 HA VAL A 58 2.247 0.611 9.411 1.00 0.00 H new ATOM 0 HB VAL A 58 0.731 -0.664 10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.824 -3.118 10.914 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.119 -2.481 9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.794 -3.080 9.423 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.524 -1.829 12.140 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.572 -1.720 10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.055 -0.238 11.544 1.00 0.00 H new ATOM 923 N VAL A 59 3.960 -0.438 7.918 1.00 0.00 N ATOM 924 CA VAL A 59 4.975 -1.032 7.054 1.00 0.00 C ATOM 925 C VAL A 59 5.625 -2.264 7.658 1.00 0.00 C ATOM 926 O VAL A 59 5.820 -2.367 8.870 1.00 0.00 O ATOM 927 CB VAL A 59 6.090 -0.045 6.677 1.00 0.00 C ATOM 928 CG1 VAL A 59 6.975 -0.658 5.597 1.00 0.00 C ATOM 929 CG2 VAL A 59 5.507 1.278 6.210 1.00 0.00 C ATOM 0 H VAL A 59 4.190 0.494 8.262 1.00 0.00 H new ATOM 0 HA VAL A 59 4.424 -1.318 6.159 1.00 0.00 H new ATOM 0 HB VAL A 59 6.697 0.154 7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.765 0.045 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.420 -1.580 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.373 -0.877 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.316 1.960 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.878 1.110 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.909 1.714 7.010 1.00 0.00 H new ATOM 939 N LEU A 60 5.978 -3.183 6.773 1.00 0.00 N ATOM 940 CA LEU A 60 6.631 -4.411 7.128 1.00 0.00 C ATOM 941 C LEU A 60 8.111 -4.308 6.776 1.00 0.00 C ATOM 942 O LEU A 60 8.526 -3.431 6.019 1.00 0.00 O ATOM 943 CB LEU A 60 5.985 -5.588 6.392 1.00 0.00 C ATOM 944 CG LEU A 60 5.333 -6.637 7.292 1.00 0.00 C ATOM 945 CD1 LEU A 60 4.393 -5.978 8.292 1.00 0.00 C ATOM 946 CD2 LEU A 60 4.591 -7.667 6.453 1.00 0.00 C ATOM 0 H LEU A 60 5.811 -3.084 5.772 1.00 0.00 H new ATOM 0 HA LEU A 60 6.526 -4.583 8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.230 -5.199 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.745 -6.077 5.783 1.00 0.00 H new ATOM 0 HG LEU A 60 6.117 -7.148 7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.939 -6.742 8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.954 -5.280 8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.612 -5.439 7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.132 -8.407 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.817 -7.170 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.292 -8.162 5.781 1.00 0.00 H new ATOM 958 N SER A 61 8.887 -5.199 7.335 1.00 0.00 N ATOM 959 CA SER A 61 10.328 -5.233 7.105 1.00 0.00 C ATOM 960 C SER A 61 10.641 -5.428 5.624 1.00 0.00 C ATOM 961 O SER A 61 9.866 -6.130 4.943 1.00 0.00 O ATOM 962 CB SER A 61 10.970 -6.354 7.925 1.00 0.00 C ATOM 963 OG SER A 61 10.245 -7.565 7.790 1.00 0.00 O ATOM 964 OXT SER A 61 11.662 -4.876 5.160 1.00 0.00 O ATOM 0 H SER A 61 8.549 -5.927 7.965 1.00 0.00 H new ATOM 0 HA SER A 61 10.743 -4.276 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.999 -6.504 7.598 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.008 -6.065 8.975 1.00 0.00 H new ATOM 0 HG SER A 61 10.677 -8.266 8.322 1.00 0.00 H new TER 970 SER A 61