USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 440 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 NoAdj-H: A 695 HIS HE2 : A 695 HIS NE2 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 701 GLN : amide:sc= -0.4 K(o=-0.83,f=-0.13) USER MOD Set 1.2: A 704 GLN : amide:sc= -0.431 X(o=-0.83,f=-1.1) USER MOD Set 2.1: A 696 HIS : no HD1:sc= -12! C(o=-18!,f=-13!) USER MOD Set 2.2: A 697 HIS : no HD1:sc= -5.97! K(o=-18!,f=-13) USER MOD Set 3.1: A 665 ASN : amide:sc= -2.47 K(o=-2.4,f=-3.1!) USER MOD Set 3.2: A 690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 694 LYS NZ :NH3+ -132:sc= 0.0519 (180deg=0) USER MOD Single : A 659 SER OG : rot 180:sc= -0.107 USER MOD Single : A 660 SER OG : rot 180:sc= -0.0705 USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 SER OG : rot 180:sc= 0 USER MOD Single : A 673 THR OG1 : rot 180:sc= -2.22 USER MOD Single : A 675 SER OG : rot -58:sc= 1 USER MOD Single : A 678 ASN : amide:sc=-0.00204 X(o=-0.002,f=0) USER MOD Single : A 679 THR OG1 : rot 64:sc= 0.0482 USER MOD Single : A 682 TYR OH : rot 180:sc= -0.564 USER MOD Single : A 685 SER OG : rot 180:sc= 0 USER MOD Single : A 688 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.38) USER MOD Single : A 689 HIS : no HD1:sc= -0.937 K(o=-0.94,f=-0.078) USER MOD Single : A 702 THR OG1 : rot 180:sc= 0 USER MOD Single : A 706 GLN : amide:sc= -0.305 K(o=-0.3,f=-2.7!) USER MOD Single : A 707 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.1!) USER MOD Single : B1101 THR OG1 : rot 26:sc= 0.508 USER MOD Single : B1103 SER OG : rot 180:sc= 0.313 USER MOD Single : B1104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B1110 SER OG : rot 180:sc= 0.0603 USER MOD Single : B1111 SER OG : rot 37:sc= 0.408 USER MOD Single : B1113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR B1101 -9.065 12.280 6.429 1.00 0.00 N ATOM 2 CA THR B1101 -8.115 11.144 6.552 1.00 0.00 C ATOM 3 C THR B1101 -8.773 9.829 6.148 1.00 0.00 C ATOM 4 O THR B1101 -9.942 9.590 6.449 1.00 0.00 O ATOM 5 CB THR B1101 -7.633 11.068 8.002 1.00 0.00 C ATOM 6 OG1 THR B1101 -7.433 12.366 8.533 1.00 0.00 O ATOM 7 CG2 THR B1101 -6.338 10.301 8.163 1.00 0.00 C ATOM 0 HA THR B1101 -7.271 11.309 5.882 1.00 0.00 H new ATOM 0 HB THR B1101 -8.419 10.538 8.540 1.00 0.00 H new ATOM 0 HG1 THR B1101 -8.008 13.004 8.062 1.00 0.00 H new ATOM 0 HG21 THR B1101 -6.053 10.285 9.215 1.00 0.00 H new ATOM 0 HG22 THR B1101 -6.474 9.279 7.809 1.00 0.00 H new ATOM 0 HG23 THR B1101 -5.554 10.785 7.582 1.00 0.00 H new ATOM 15 N ILE B1102 -8.014 8.980 5.462 1.00 0.00 N ATOM 16 CA ILE B1102 -8.524 7.689 5.016 1.00 0.00 C ATOM 17 C ILE B1102 -8.852 6.791 6.203 1.00 0.00 C ATOM 18 O ILE B1102 -8.384 7.024 7.318 1.00 0.00 O ATOM 19 CB ILE B1102 -7.511 6.965 4.105 1.00 0.00 C ATOM 20 CG1 ILE B1102 -6.914 7.936 3.081 1.00 0.00 C ATOM 21 CG2 ILE B1102 -8.176 5.791 3.402 1.00 0.00 C ATOM 22 CD1 ILE B1102 -5.407 8.039 3.156 1.00 0.00 C ATOM 0 H ILE B1102 -7.044 9.163 5.203 1.00 0.00 H new ATOM 0 HA ILE B1102 -9.433 7.888 4.448 1.00 0.00 H new ATOM 0 HB ILE B1102 -6.701 6.584 4.726 1.00 0.00 H new ATOM 0 HG12 ILE B1102 -7.199 7.616 2.079 1.00 0.00 H new ATOM 0 HG13 ILE B1102 -7.346 8.925 3.235 1.00 0.00 H new ATOM 0 HG21 ILE B1102 -7.449 5.290 2.763 1.00 0.00 H new ATOM 0 HG22 ILE B1102 -8.552 5.087 4.145 1.00 0.00 H new ATOM 0 HG23 ILE B1102 -9.005 6.153 2.794 1.00 0.00 H new ATOM 0 HD11 ILE B1102 -5.053 8.743 2.403 1.00 0.00 H new ATOM 0 HD12 ILE B1102 -5.115 8.389 4.146 1.00 0.00 H new ATOM 0 HD13 ILE B1102 -4.966 7.059 2.973 1.00 0.00 H new ATOM 34 N SER B1103 -9.659 5.763 5.958 1.00 0.00 N ATOM 35 CA SER B1103 -10.050 4.828 7.008 1.00 0.00 C ATOM 36 C SER B1103 -8.824 4.203 7.669 1.00 0.00 C ATOM 37 O SER B1103 -7.695 4.647 7.452 1.00 0.00 O ATOM 38 CB SER B1103 -10.948 3.731 6.434 1.00 0.00 C ATOM 39 OG SER B1103 -11.610 3.021 7.467 1.00 0.00 O ATOM 0 H SER B1103 -10.055 5.556 5.041 1.00 0.00 H new ATOM 0 HA SER B1103 -10.603 5.384 7.765 1.00 0.00 H new ATOM 0 HB2 SER B1103 -11.684 4.173 5.763 1.00 0.00 H new ATOM 0 HB3 SER B1103 -10.349 3.041 5.840 1.00 0.00 H new ATOM 0 HG SER B1103 -12.179 2.327 7.074 1.00 0.00 H new ATOM 45 N ASN B1104 -9.052 3.174 8.477 1.00 0.00 N ATOM 46 CA ASN B1104 -7.967 2.492 9.171 1.00 0.00 C ATOM 47 C ASN B1104 -7.551 1.223 8.426 1.00 0.00 C ATOM 48 O ASN B1104 -8.276 0.229 8.432 1.00 0.00 O ATOM 49 CB ASN B1104 -8.393 2.138 10.596 1.00 0.00 C ATOM 50 CG ASN B1104 -8.158 3.277 11.569 1.00 0.00 C ATOM 51 OD1 ASN B1104 -7.070 3.416 12.130 1.00 0.00 O ATOM 52 ND2 ASN B1104 -9.180 4.099 11.775 1.00 0.00 N ATOM 0 H ASN B1104 -9.979 2.794 8.667 1.00 0.00 H new ATOM 0 HA ASN B1104 -7.112 3.167 9.207 1.00 0.00 H new ATOM 0 HB2 ASN B1104 -9.450 1.872 10.601 1.00 0.00 H new ATOM 0 HB3 ASN B1104 -7.841 1.259 10.930 1.00 0.00 H new ATOM 0 HD21 ASN B1104 -9.082 4.883 12.420 1.00 0.00 H new ATOM 0 HD22 ASN B1104 -10.063 3.946 11.289 1.00 0.00 H new ATOM 59 N PRO B1105 -6.375 1.237 7.771 1.00 0.00 N ATOM 60 CA PRO B1105 -5.877 0.076 7.024 1.00 0.00 C ATOM 61 C PRO B1105 -5.564 -1.109 7.929 1.00 0.00 C ATOM 62 O PRO B1105 -5.591 -0.992 9.154 1.00 0.00 O ATOM 63 CB PRO B1105 -4.592 0.586 6.365 1.00 0.00 C ATOM 64 CG PRO B1105 -4.177 1.764 7.177 1.00 0.00 C ATOM 65 CD PRO B1105 -5.442 2.377 7.705 1.00 0.00 C ATOM 0 HA PRO B1105 -6.620 -0.289 6.315 1.00 0.00 H new ATOM 0 HB2 PRO B1105 -3.819 -0.183 6.363 1.00 0.00 H new ATOM 0 HB3 PRO B1105 -4.767 0.866 5.326 1.00 0.00 H new ATOM 0 HG2 PRO B1105 -3.521 1.462 7.993 1.00 0.00 H new ATOM 0 HG3 PRO B1105 -3.622 2.479 6.570 1.00 0.00 H new ATOM 0 HD2 PRO B1105 -5.290 2.829 8.685 1.00 0.00 H new ATOM 0 HD3 PRO B1105 -5.813 3.162 7.046 1.00 0.00 H new ATOM 73 N PRO B1106 -5.253 -2.272 7.331 1.00 0.00 N ATOM 74 CA PRO B1106 -4.921 -3.482 8.086 1.00 0.00 C ATOM 75 C PRO B1106 -3.550 -3.382 8.746 1.00 0.00 C ATOM 76 O PRO B1106 -2.738 -2.533 8.379 1.00 0.00 O ATOM 77 CB PRO B1106 -4.924 -4.576 7.017 1.00 0.00 C ATOM 78 CG PRO B1106 -4.587 -3.866 5.753 1.00 0.00 C ATOM 79 CD PRO B1106 -5.188 -2.493 5.874 1.00 0.00 C ATOM 0 HA PRO B1106 -5.620 -3.666 8.901 1.00 0.00 H new ATOM 0 HB2 PRO B1106 -4.193 -5.353 7.242 1.00 0.00 H new ATOM 0 HB3 PRO B1106 -5.897 -5.063 6.951 1.00 0.00 H new ATOM 0 HG2 PRO B1106 -3.507 -3.808 5.614 1.00 0.00 H new ATOM 0 HG3 PRO B1106 -4.992 -4.394 4.889 1.00 0.00 H new ATOM 0 HD2 PRO B1106 -4.572 -1.741 5.381 1.00 0.00 H new ATOM 0 HD3 PRO B1106 -6.176 -2.446 5.416 1.00 0.00 H new ATOM 87 N PRO B1107 -3.271 -4.246 9.736 1.00 0.00 N ATOM 88 CA PRO B1107 -1.989 -4.240 10.443 1.00 0.00 C ATOM 89 C PRO B1107 -0.841 -4.739 9.573 1.00 0.00 C ATOM 90 O PRO B1107 -1.061 -5.366 8.536 1.00 0.00 O ATOM 91 CB PRO B1107 -2.225 -5.190 11.618 1.00 0.00 C ATOM 92 CG PRO B1107 -3.301 -6.107 11.151 1.00 0.00 C ATOM 93 CD PRO B1107 -4.180 -5.290 10.243 1.00 0.00 C ATOM 0 HA PRO B1107 -1.697 -3.234 10.744 1.00 0.00 H new ATOM 0 HB2 PRO B1107 -1.318 -5.740 11.871 1.00 0.00 H new ATOM 0 HB3 PRO B1107 -2.529 -4.646 12.512 1.00 0.00 H new ATOM 0 HG2 PRO B1107 -2.882 -6.962 10.621 1.00 0.00 H new ATOM 0 HG3 PRO B1107 -3.870 -6.501 11.993 1.00 0.00 H new ATOM 0 HD2 PRO B1107 -4.591 -5.893 9.433 1.00 0.00 H new ATOM 0 HD3 PRO B1107 -5.025 -4.860 10.781 1.00 0.00 H new ATOM 101 N LEU B1108 0.384 -4.456 10.003 1.00 0.00 N ATOM 102 CA LEU B1108 1.567 -4.875 9.263 1.00 0.00 C ATOM 103 C LEU B1108 2.178 -6.131 9.874 1.00 0.00 C ATOM 104 O LEU B1108 2.110 -6.342 11.086 1.00 0.00 O ATOM 105 CB LEU B1108 2.603 -3.750 9.238 1.00 0.00 C ATOM 106 CG LEU B1108 2.071 -2.388 8.791 1.00 0.00 C ATOM 107 CD1 LEU B1108 3.057 -1.286 9.147 1.00 0.00 C ATOM 108 CD2 LEU B1108 1.789 -2.392 7.296 1.00 0.00 C ATOM 0 H LEU B1108 0.583 -3.939 10.859 1.00 0.00 H new ATOM 0 HA LEU B1108 1.262 -5.103 8.242 1.00 0.00 H new ATOM 0 HB2 LEU B1108 3.028 -3.647 10.236 1.00 0.00 H new ATOM 0 HB3 LEU B1108 3.416 -4.041 8.573 1.00 0.00 H new ATOM 0 HG LEU B1108 1.136 -2.193 9.317 1.00 0.00 H new ATOM 0 HD11 LEU B1108 2.661 -0.324 8.821 1.00 0.00 H new ATOM 0 HD12 LEU B1108 3.209 -1.269 10.226 1.00 0.00 H new ATOM 0 HD13 LEU B1108 4.008 -1.474 8.649 1.00 0.00 H new ATOM 0 HD21 LEU B1108 1.411 -1.415 6.994 1.00 0.00 H new ATOM 0 HD22 LEU B1108 2.709 -2.609 6.753 1.00 0.00 H new ATOM 0 HD23 LEU B1108 1.045 -3.155 7.068 1.00 0.00 H new ATOM 120 N ILE B1109 2.779 -6.962 9.029 1.00 0.00 N ATOM 121 CA ILE B1109 3.409 -8.197 9.483 1.00 0.00 C ATOM 122 C ILE B1109 4.913 -8.160 9.236 1.00 0.00 C ATOM 123 O ILE B1109 5.361 -7.972 8.105 1.00 0.00 O ATOM 124 CB ILE B1109 2.810 -9.443 8.789 1.00 0.00 C ATOM 125 CG1 ILE B1109 2.244 -9.085 7.415 1.00 0.00 C ATOM 126 CG2 ILE B1109 1.726 -10.061 9.657 1.00 0.00 C ATOM 127 CD1 ILE B1109 2.025 -10.285 6.519 1.00 0.00 C ATOM 0 H ILE B1109 2.843 -6.802 8.024 1.00 0.00 H new ATOM 0 HA ILE B1109 3.215 -8.273 10.553 1.00 0.00 H new ATOM 0 HB ILE B1109 3.610 -10.170 8.650 1.00 0.00 H new ATOM 0 HG12 ILE B1109 1.297 -8.562 7.546 1.00 0.00 H new ATOM 0 HG13 ILE B1109 2.924 -8.392 6.920 1.00 0.00 H new ATOM 0 HG21 ILE B1109 1.314 -10.937 9.156 1.00 0.00 H new ATOM 0 HG22 ILE B1109 2.152 -10.358 10.615 1.00 0.00 H new ATOM 0 HG23 ILE B1109 0.933 -9.332 9.824 1.00 0.00 H new ATOM 0 HD11 ILE B1109 1.622 -9.955 5.561 1.00 0.00 H new ATOM 0 HD12 ILE B1109 2.974 -10.796 6.357 1.00 0.00 H new ATOM 0 HD13 ILE B1109 1.321 -10.969 6.993 1.00 0.00 H new ATOM 139 N SER B1110 5.690 -8.339 10.299 1.00 0.00 N ATOM 140 CA SER B1110 7.144 -8.323 10.193 1.00 0.00 C ATOM 141 C SER B1110 7.668 -9.666 9.695 1.00 0.00 C ATOM 142 O SER B1110 7.324 -10.717 10.233 1.00 0.00 O ATOM 143 CB SER B1110 7.773 -7.987 11.546 1.00 0.00 C ATOM 144 OG SER B1110 6.999 -8.506 12.613 1.00 0.00 O ATOM 0 H SER B1110 5.337 -8.497 11.243 1.00 0.00 H new ATOM 0 HA SER B1110 7.421 -7.555 9.471 1.00 0.00 H new ATOM 0 HB2 SER B1110 8.782 -8.396 11.593 1.00 0.00 H new ATOM 0 HB3 SER B1110 7.862 -6.906 11.650 1.00 0.00 H new ATOM 0 HG SER B1110 7.424 -8.279 13.466 1.00 0.00 H new ATOM 150 N SER B1111 8.502 -9.622 8.660 1.00 0.00 N ATOM 151 CA SER B1111 9.075 -10.835 8.088 1.00 0.00 C ATOM 152 C SER B1111 10.599 -10.762 8.069 1.00 0.00 C ATOM 153 O SER B1111 11.181 -9.915 7.393 1.00 0.00 O ATOM 154 CB SER B1111 8.546 -11.053 6.670 1.00 0.00 C ATOM 155 OG SER B1111 8.790 -9.921 5.853 1.00 0.00 O ATOM 0 H SER B1111 8.796 -8.760 8.201 1.00 0.00 H new ATOM 0 HA SER B1111 8.778 -11.677 8.713 1.00 0.00 H new ATOM 0 HB2 SER B1111 9.022 -11.930 6.232 1.00 0.00 H new ATOM 0 HB3 SER B1111 7.476 -11.256 6.705 1.00 0.00 H new ATOM 0 HG SER B1111 9.660 -9.533 6.083 1.00 0.00 H new ATOM 161 N ALA B1112 11.237 -11.657 8.817 1.00 0.00 N ATOM 162 CA ALA B1112 12.693 -11.695 8.886 1.00 0.00 C ATOM 163 C ALA B1112 13.172 -12.877 9.722 1.00 0.00 C ATOM 164 O ALA B1112 13.552 -12.716 10.881 1.00 0.00 O ATOM 165 CB ALA B1112 13.229 -10.391 9.456 1.00 0.00 C ATOM 0 H ALA B1112 10.769 -12.365 9.383 1.00 0.00 H new ATOM 0 HA ALA B1112 13.077 -11.820 7.874 1.00 0.00 H new ATOM 0 HB1 ALA B1112 14.317 -10.434 9.502 1.00 0.00 H new ATOM 0 HB2 ALA B1112 12.925 -9.562 8.817 1.00 0.00 H new ATOM 0 HB3 ALA B1112 12.829 -10.241 10.459 1.00 0.00 H new ATOM 171 N LYS B1113 13.153 -14.065 9.125 1.00 0.00 N ATOM 172 CA LYS B1113 13.586 -15.274 9.815 1.00 0.00 C ATOM 173 C LYS B1113 15.093 -15.467 9.681 1.00 0.00 C ATOM 174 O LYS B1113 15.561 -16.171 8.787 1.00 0.00 O ATOM 175 CB LYS B1113 12.852 -16.496 9.258 1.00 0.00 C ATOM 176 CG LYS B1113 11.366 -16.509 9.577 1.00 0.00 C ATOM 177 CD LYS B1113 10.521 -16.402 8.318 1.00 0.00 C ATOM 178 CE LYS B1113 10.000 -17.761 7.878 1.00 0.00 C ATOM 179 NZ LYS B1113 9.378 -17.706 6.525 1.00 0.00 N ATOM 0 H LYS B1113 12.842 -14.215 8.165 1.00 0.00 H new ATOM 0 HA LYS B1113 13.344 -15.165 10.872 1.00 0.00 H new ATOM 0 HB2 LYS B1113 12.983 -16.527 8.176 1.00 0.00 H new ATOM 0 HB3 LYS B1113 13.310 -17.400 9.661 1.00 0.00 H new ATOM 0 HG2 LYS B1113 11.115 -17.428 10.107 1.00 0.00 H new ATOM 0 HG3 LYS B1113 11.130 -15.681 10.246 1.00 0.00 H new ATOM 0 HD2 LYS B1113 9.682 -15.731 8.498 1.00 0.00 H new ATOM 0 HD3 LYS B1113 11.115 -15.962 7.517 1.00 0.00 H new ATOM 0 HE2 LYS B1113 10.820 -18.479 7.872 1.00 0.00 H new ATOM 0 HE3 LYS B1113 9.267 -18.120 8.600 1.00 0.00 H new ATOM 0 HZ1 LYS B1113 9.035 -18.652 6.262 1.00 0.00 H new ATOM 0 HZ2 LYS B1113 8.580 -17.040 6.537 1.00 0.00 H new ATOM 0 HZ3 LYS B1113 10.084 -17.388 5.831 1.00 0.00 H new TER 193 LYS B1113 ATOM 194 N ASP A 658 11.339 -13.426 -5.929 1.00 0.00 N ATOM 195 CA ASP A 658 10.104 -13.095 -5.229 1.00 0.00 C ATOM 196 C ASP A 658 10.394 -12.305 -3.957 1.00 0.00 C ATOM 197 O ASP A 658 9.667 -12.407 -2.970 1.00 0.00 O ATOM 198 CB ASP A 658 9.330 -14.369 -4.886 1.00 0.00 C ATOM 199 CG ASP A 658 8.333 -14.749 -5.964 1.00 0.00 C ATOM 200 OD1 ASP A 658 8.487 -14.272 -7.108 1.00 0.00 O ATOM 201 OD2 ASP A 658 7.399 -15.522 -5.663 1.00 0.00 O ATOM 0 HA ASP A 658 9.497 -12.476 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 658 10.033 -15.189 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 658 8.804 -14.228 -3.942 1.00 0.00 H new ATOM 206 N SER A 659 11.464 -11.516 -3.988 1.00 0.00 N ATOM 207 CA SER A 659 11.851 -10.708 -2.838 1.00 0.00 C ATOM 208 C SER A 659 12.671 -9.498 -3.274 1.00 0.00 C ATOM 209 O SER A 659 13.085 -9.399 -4.429 1.00 0.00 O ATOM 210 CB SER A 659 12.650 -11.549 -1.842 1.00 0.00 C ATOM 211 OG SER A 659 12.866 -10.841 -0.634 1.00 0.00 O ATOM 0 H SER A 659 12.078 -11.420 -4.797 1.00 0.00 H new ATOM 0 HA SER A 659 10.942 -10.352 -2.354 1.00 0.00 H new ATOM 0 HB2 SER A 659 12.116 -12.476 -1.633 1.00 0.00 H new ATOM 0 HB3 SER A 659 13.608 -11.825 -2.281 1.00 0.00 H new ATOM 0 HG SER A 659 13.377 -11.401 -0.014 1.00 0.00 H new ATOM 217 N SER A 660 12.903 -8.580 -2.341 1.00 0.00 N ATOM 218 CA SER A 660 13.675 -7.375 -2.627 1.00 0.00 C ATOM 219 C SER A 660 13.812 -6.509 -1.380 1.00 0.00 C ATOM 220 O SER A 660 14.858 -5.903 -1.144 1.00 0.00 O ATOM 221 CB SER A 660 13.014 -6.573 -3.749 1.00 0.00 C ATOM 222 OG SER A 660 11.617 -6.801 -3.786 1.00 0.00 O ATOM 0 H SER A 660 12.568 -8.647 -1.380 1.00 0.00 H new ATOM 0 HA SER A 660 14.671 -7.680 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 660 13.208 -5.510 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 660 13.456 -6.849 -4.706 1.00 0.00 H new ATOM 0 HG SER A 660 11.219 -6.275 -4.511 1.00 0.00 H new ATOM 228 N GLU A 661 12.749 -6.456 -0.584 1.00 0.00 N ATOM 229 CA GLU A 661 12.749 -5.665 0.642 1.00 0.00 C ATOM 230 C GLU A 661 12.889 -4.179 0.331 1.00 0.00 C ATOM 231 O GLU A 661 13.998 -3.660 0.216 1.00 0.00 O ATOM 232 CB GLU A 661 13.882 -6.117 1.569 1.00 0.00 C ATOM 233 CG GLU A 661 13.395 -6.823 2.825 1.00 0.00 C ATOM 234 CD GLU A 661 14.526 -7.175 3.769 1.00 0.00 C ATOM 235 OE1 GLU A 661 15.504 -7.808 3.316 1.00 0.00 O ATOM 236 OE2 GLU A 661 14.437 -6.820 4.963 1.00 0.00 O ATOM 0 H GLU A 661 11.876 -6.951 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 661 11.795 -5.823 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 661 14.545 -6.786 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 661 14.474 -5.248 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 661 12.680 -6.184 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 661 12.864 -7.733 2.544 1.00 0.00 H new ATOM 243 N SER A 662 11.755 -3.498 0.196 1.00 0.00 N ATOM 244 CA SER A 662 11.751 -2.071 -0.100 1.00 0.00 C ATOM 245 C SER A 662 10.430 -1.432 0.311 1.00 0.00 C ATOM 246 O SER A 662 9.356 -1.912 -0.054 1.00 0.00 O ATOM 247 CB SER A 662 12.008 -1.836 -1.589 1.00 0.00 C ATOM 248 OG SER A 662 11.609 -2.955 -2.360 1.00 0.00 O ATOM 0 H SER A 662 10.827 -3.912 0.287 1.00 0.00 H new ATOM 0 HA SER A 662 12.551 -1.604 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 662 11.464 -0.951 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 662 13.068 -1.638 -1.751 1.00 0.00 H new ATOM 0 HG SER A 662 11.783 -2.778 -3.308 1.00 0.00 H new ATOM 254 N CYS A 663 10.515 -0.347 1.073 1.00 0.00 N ATOM 255 CA CYS A 663 9.329 0.359 1.538 1.00 0.00 C ATOM 256 C CYS A 663 8.596 1.020 0.375 1.00 0.00 C ATOM 257 O CYS A 663 9.190 1.765 -0.404 1.00 0.00 O ATOM 258 CB CYS A 663 9.719 1.410 2.575 1.00 0.00 C ATOM 259 SG CYS A 663 8.340 2.010 3.577 1.00 0.00 S ATOM 0 H CYS A 663 11.396 0.063 1.382 1.00 0.00 H new ATOM 0 HA CYS A 663 8.658 -0.367 1.997 1.00 0.00 H new ATOM 0 HB2 CYS A 663 10.477 0.989 3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 663 10.177 2.257 2.063 1.00 0.00 H new ATOM 264 N TRP A 664 7.302 0.739 0.263 1.00 0.00 N ATOM 265 CA TRP A 664 6.485 1.301 -0.807 1.00 0.00 C ATOM 266 C TRP A 664 6.399 2.825 -0.706 1.00 0.00 C ATOM 267 O TRP A 664 6.131 3.508 -1.694 1.00 0.00 O ATOM 268 CB TRP A 664 5.077 0.702 -0.769 1.00 0.00 C ATOM 269 CG TRP A 664 5.018 -0.719 -1.242 1.00 0.00 C ATOM 270 CD1 TRP A 664 5.989 -1.670 -1.105 1.00 0.00 C ATOM 271 CD2 TRP A 664 3.931 -1.352 -1.929 1.00 0.00 C ATOM 272 NE1 TRP A 664 5.573 -2.854 -1.663 1.00 0.00 N ATOM 273 CE2 TRP A 664 4.314 -2.685 -2.177 1.00 0.00 C ATOM 274 CE3 TRP A 664 2.671 -0.923 -2.360 1.00 0.00 C ATOM 275 CZ2 TRP A 664 3.482 -3.589 -2.834 1.00 0.00 C ATOM 276 CZ3 TRP A 664 1.848 -1.824 -3.011 1.00 0.00 C ATOM 277 CH2 TRP A 664 2.256 -3.142 -3.242 1.00 0.00 C ATOM 0 H TRP A 664 6.796 0.125 0.901 1.00 0.00 H new ATOM 0 HA TRP A 664 6.963 1.049 -1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 664 4.697 0.753 0.251 1.00 0.00 H new ATOM 0 HB3 TRP A 664 4.416 1.310 -1.386 1.00 0.00 H new ATOM 0 HD1 TRP A 664 6.945 -1.514 -0.627 1.00 0.00 H new ATOM 0 HE1 TRP A 664 6.113 -3.719 -1.690 1.00 0.00 H new ATOM 0 HE3 TRP A 664 2.347 0.093 -2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 664 3.794 -4.607 -3.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 664 0.873 -1.504 -3.347 1.00 0.00 H new ATOM 0 HH2 TRP A 664 1.589 -3.820 -3.753 1.00 0.00 H new ATOM 288 N ASN A 665 6.618 3.349 0.500 1.00 0.00 N ATOM 289 CA ASN A 665 6.555 4.789 0.737 1.00 0.00 C ATOM 290 C ASN A 665 7.951 5.415 0.758 1.00 0.00 C ATOM 291 O ASN A 665 8.273 6.262 -0.075 1.00 0.00 O ATOM 292 CB ASN A 665 5.835 5.065 2.064 1.00 0.00 C ATOM 293 CG ASN A 665 6.137 6.443 2.629 1.00 0.00 C ATOM 294 OD1 ASN A 665 5.955 7.457 1.956 1.00 0.00 O ATOM 295 ND2 ASN A 665 6.608 6.483 3.870 1.00 0.00 N ATOM 0 H ASN A 665 6.841 2.796 1.328 1.00 0.00 H new ATOM 0 HA ASN A 665 5.998 5.243 -0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 665 4.760 4.968 1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 665 6.125 4.308 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 665 6.834 7.379 4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 665 6.744 5.617 4.392 1.00 0.00 H new ATOM 302 N CYS A 666 8.769 5.001 1.721 1.00 0.00 N ATOM 303 CA CYS A 666 10.123 5.529 1.859 1.00 0.00 C ATOM 304 C CYS A 666 10.918 5.374 0.565 1.00 0.00 C ATOM 305 O CYS A 666 11.355 6.364 -0.022 1.00 0.00 O ATOM 306 CB CYS A 666 10.855 4.837 3.010 1.00 0.00 C ATOM 307 SG CYS A 666 10.232 5.277 4.650 1.00 0.00 S ATOM 0 H CYS A 666 8.518 4.300 2.418 1.00 0.00 H new ATOM 0 HA CYS A 666 10.039 6.593 2.079 1.00 0.00 H new ATOM 0 HB2 CYS A 666 10.776 3.758 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 666 11.914 5.088 2.956 1.00 0.00 H new ATOM 312 N GLY A 667 11.107 4.133 0.122 1.00 0.00 N ATOM 313 CA GLY A 667 11.854 3.896 -1.100 1.00 0.00 C ATOM 314 C GLY A 667 13.275 3.443 -0.833 1.00 0.00 C ATOM 315 O GLY A 667 14.160 3.629 -1.668 1.00 0.00 O ATOM 0 H GLY A 667 10.758 3.293 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 667 11.341 3.140 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 667 11.873 4.810 -1.693 1.00 0.00 H new ATOM 319 N ARG A 668 13.496 2.847 0.334 1.00 0.00 N ATOM 320 CA ARG A 668 14.821 2.365 0.708 1.00 0.00 C ATOM 321 C ARG A 668 14.765 0.903 1.139 1.00 0.00 C ATOM 322 O ARG A 668 15.379 0.038 0.513 1.00 0.00 O ATOM 323 CB ARG A 668 15.397 3.222 1.836 1.00 0.00 C ATOM 324 CG ARG A 668 16.252 4.378 1.344 1.00 0.00 C ATOM 325 CD ARG A 668 17.722 3.997 1.280 1.00 0.00 C ATOM 326 NE ARG A 668 18.454 4.798 0.301 1.00 0.00 N ATOM 327 CZ ARG A 668 18.463 4.546 -1.008 1.00 0.00 C ATOM 328 NH1 ARG A 668 17.778 3.521 -1.499 1.00 0.00 N ATOM 329 NH2 ARG A 668 19.158 5.324 -1.826 1.00 0.00 N ATOM 0 H ARG A 668 12.775 2.686 1.037 1.00 0.00 H new ATOM 0 HA ARG A 668 15.470 2.442 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 668 14.577 3.617 2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 668 15.997 2.590 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 668 15.912 4.688 0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 668 16.125 5.233 2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 668 18.173 4.126 2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 668 17.812 2.941 1.024 1.00 0.00 H new ATOM 0 HE ARG A 668 18.990 5.597 0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 668 17.240 2.921 -0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 668 17.789 3.334 -2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 668 19.685 6.114 -1.454 1.00 0.00 H new ATOM 0 HH22 ARG A 668 19.166 5.133 -2.828 1.00 0.00 H new ATOM 343 N LYS A 669 14.026 0.631 2.210 1.00 0.00 N ATOM 344 CA LYS A 669 13.893 -0.728 2.719 1.00 0.00 C ATOM 345 C LYS A 669 12.674 -0.857 3.631 1.00 0.00 C ATOM 346 O LYS A 669 12.250 0.111 4.260 1.00 0.00 O ATOM 347 CB LYS A 669 15.163 -1.140 3.471 1.00 0.00 C ATOM 348 CG LYS A 669 15.288 -0.521 4.855 1.00 0.00 C ATOM 349 CD LYS A 669 14.579 -1.362 5.905 1.00 0.00 C ATOM 350 CE LYS A 669 15.567 -2.139 6.759 1.00 0.00 C ATOM 351 NZ LYS A 669 16.229 -3.229 5.990 1.00 0.00 N ATOM 0 H LYS A 669 13.511 1.333 2.741 1.00 0.00 H new ATOM 0 HA LYS A 669 13.752 -1.395 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 669 15.181 -2.226 3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 669 16.033 -0.858 2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 669 16.341 -0.421 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 669 14.866 0.484 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 669 13.975 -0.716 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 669 13.896 -2.056 5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 669 16.324 -1.458 7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 669 15.048 -2.564 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 16.895 -3.735 6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 15.509 -3.893 5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 16.745 -2.821 5.185 1.00 0.00 H new ATOM 365 N ALA A 670 12.120 -2.064 3.696 1.00 0.00 N ATOM 366 CA ALA A 670 10.954 -2.328 4.531 1.00 0.00 C ATOM 367 C ALA A 670 11.030 -3.718 5.158 1.00 0.00 C ATOM 368 O ALA A 670 11.522 -4.661 4.540 1.00 0.00 O ATOM 369 CB ALA A 670 9.677 -2.181 3.716 1.00 0.00 C ATOM 0 H ALA A 670 12.461 -2.875 3.180 1.00 0.00 H new ATOM 0 HA ALA A 670 10.942 -1.596 5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 670 8.815 -2.381 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 670 9.611 -1.166 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 670 9.690 -2.890 2.888 1.00 0.00 H new ATOM 375 N SER A 671 10.546 -3.836 6.393 1.00 0.00 N ATOM 376 CA SER A 671 10.567 -5.109 7.108 1.00 0.00 C ATOM 377 C SER A 671 9.158 -5.572 7.478 1.00 0.00 C ATOM 378 O SER A 671 8.979 -6.674 7.997 1.00 0.00 O ATOM 379 CB SER A 671 11.421 -4.991 8.370 1.00 0.00 C ATOM 380 OG SER A 671 11.407 -3.666 8.873 1.00 0.00 O ATOM 0 H SER A 671 10.135 -3.065 6.919 1.00 0.00 H new ATOM 0 HA SER A 671 11.002 -5.854 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 671 11.048 -5.676 9.131 1.00 0.00 H new ATOM 0 HB3 SER A 671 12.446 -5.288 8.148 1.00 0.00 H new ATOM 0 HG SER A 671 11.959 -3.617 9.681 1.00 0.00 H new ATOM 386 N GLU A 672 8.159 -4.735 7.210 1.00 0.00 N ATOM 387 CA GLU A 672 6.774 -5.079 7.520 1.00 0.00 C ATOM 388 C GLU A 672 5.989 -5.332 6.237 1.00 0.00 C ATOM 389 O GLU A 672 6.385 -4.892 5.158 1.00 0.00 O ATOM 390 CB GLU A 672 6.101 -3.967 8.335 1.00 0.00 C ATOM 391 CG GLU A 672 7.046 -3.222 9.267 1.00 0.00 C ATOM 392 CD GLU A 672 7.331 -3.988 10.543 1.00 0.00 C ATOM 393 OE1 GLU A 672 6.365 -4.452 11.186 1.00 0.00 O ATOM 394 OE2 GLU A 672 8.520 -4.125 10.900 1.00 0.00 O ATOM 0 H GLU A 672 8.282 -3.818 6.781 1.00 0.00 H new ATOM 0 HA GLU A 672 6.780 -5.990 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 672 5.646 -3.253 7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 672 5.293 -4.401 8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 672 7.984 -3.027 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 672 6.614 -2.253 9.518 1.00 0.00 H new ATOM 401 N THR A 673 4.886 -6.062 6.361 1.00 0.00 N ATOM 402 CA THR A 673 4.059 -6.396 5.208 1.00 0.00 C ATOM 403 C THR A 673 2.573 -6.205 5.509 1.00 0.00 C ATOM 404 O THR A 673 2.098 -6.535 6.592 1.00 0.00 O ATOM 405 CB THR A 673 4.328 -7.841 4.769 1.00 0.00 C ATOM 406 OG1 THR A 673 5.673 -7.991 4.351 1.00 0.00 O ATOM 407 CG2 THR A 673 3.442 -8.301 3.629 1.00 0.00 C ATOM 0 H THR A 673 4.544 -6.433 7.247 1.00 0.00 H new ATOM 0 HA THR A 673 4.324 -5.717 4.398 1.00 0.00 H new ATOM 0 HB THR A 673 4.110 -8.453 5.644 1.00 0.00 H new ATOM 0 HG1 THR A 673 5.829 -8.919 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 673 3.687 -9.331 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 673 2.397 -8.242 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 673 3.604 -7.661 2.761 1.00 0.00 H new ATOM 415 N CYS A 674 1.844 -5.668 4.539 1.00 0.00 N ATOM 416 CA CYS A 674 0.413 -5.444 4.700 1.00 0.00 C ATOM 417 C CYS A 674 -0.319 -6.779 4.818 1.00 0.00 C ATOM 418 O CYS A 674 -0.526 -7.475 3.826 1.00 0.00 O ATOM 419 CB CYS A 674 -0.128 -4.647 3.510 1.00 0.00 C ATOM 420 SG CYS A 674 -1.906 -4.330 3.570 1.00 0.00 S ATOM 0 H CYS A 674 2.219 -5.380 3.635 1.00 0.00 H new ATOM 0 HA CYS A 674 0.245 -4.873 5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 674 0.397 -3.693 3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 674 0.102 -5.188 2.592 1.00 0.00 H new ATOM 425 N SER A 675 -0.693 -7.137 6.045 1.00 0.00 N ATOM 426 CA SER A 675 -1.386 -8.396 6.306 1.00 0.00 C ATOM 427 C SER A 675 -2.766 -8.447 5.649 1.00 0.00 C ATOM 428 O SER A 675 -3.401 -9.501 5.614 1.00 0.00 O ATOM 429 CB SER A 675 -1.523 -8.617 7.813 1.00 0.00 C ATOM 430 OG SER A 675 -2.418 -7.680 8.387 1.00 0.00 O ATOM 0 H SER A 675 -0.527 -6.570 6.877 1.00 0.00 H new ATOM 0 HA SER A 675 -0.784 -9.192 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 675 -1.879 -9.629 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 675 -0.545 -8.528 8.287 1.00 0.00 H new ATOM 0 HG SER A 675 -2.098 -6.771 8.210 1.00 0.00 H new ATOM 436 N GLY A 676 -3.232 -7.314 5.130 1.00 0.00 N ATOM 437 CA GLY A 676 -4.534 -7.279 4.489 1.00 0.00 C ATOM 438 C GLY A 676 -4.501 -7.838 3.081 1.00 0.00 C ATOM 439 O GLY A 676 -5.381 -8.608 2.693 1.00 0.00 O ATOM 0 H GLY A 676 -2.734 -6.424 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -5.245 -7.849 5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -4.894 -6.251 4.460 1.00 0.00 H new ATOM 443 N CYS A 677 -3.486 -7.457 2.315 1.00 0.00 N ATOM 444 CA CYS A 677 -3.345 -7.933 0.943 1.00 0.00 C ATOM 445 C CYS A 677 -2.125 -8.843 0.797 1.00 0.00 C ATOM 446 O CYS A 677 -1.979 -9.543 -0.205 1.00 0.00 O ATOM 447 CB CYS A 677 -3.233 -6.752 -0.020 1.00 0.00 C ATOM 448 SG CYS A 677 -1.894 -5.608 0.376 1.00 0.00 S ATOM 0 H CYS A 677 -2.749 -6.821 2.619 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.235 -8.512 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -3.085 -7.133 -1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -4.176 -6.206 -0.020 1.00 0.00 H new ATOM 453 N ASN A 678 -1.248 -8.824 1.802 1.00 0.00 N ATOM 454 CA ASN A 678 -0.041 -9.642 1.785 1.00 0.00 C ATOM 455 C ASN A 678 0.849 -9.284 0.596 1.00 0.00 C ATOM 456 O ASN A 678 1.650 -10.102 0.143 1.00 0.00 O ATOM 457 CB ASN A 678 -0.407 -11.128 1.737 1.00 0.00 C ATOM 458 CG ASN A 678 0.025 -11.871 2.986 1.00 0.00 C ATOM 459 OD1 ASN A 678 -0.806 -12.379 3.740 1.00 0.00 O ATOM 460 ND2 ASN A 678 1.332 -11.939 3.211 1.00 0.00 N ATOM 0 H ASN A 678 -1.354 -8.249 2.638 1.00 0.00 H new ATOM 0 HA ASN A 678 0.515 -9.441 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 678 -1.485 -11.230 1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 678 0.060 -11.586 0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 678 1.683 -12.427 4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 678 1.985 -11.504 2.560 1.00 0.00 H new ATOM 467 N THR A 679 0.693 -8.066 0.085 1.00 0.00 N ATOM 468 CA THR A 679 1.475 -7.619 -1.063 1.00 0.00 C ATOM 469 C THR A 679 2.284 -6.362 -0.750 1.00 0.00 C ATOM 470 O THR A 679 3.413 -6.205 -1.213 1.00 0.00 O ATOM 471 CB THR A 679 0.550 -7.356 -2.254 1.00 0.00 C ATOM 472 OG1 THR A 679 -0.090 -8.551 -2.664 1.00 0.00 O ATOM 473 CG2 THR A 679 1.264 -6.782 -3.461 1.00 0.00 C ATOM 0 H THR A 679 0.036 -7.374 0.446 1.00 0.00 H new ATOM 0 HA THR A 679 2.179 -8.413 -1.310 1.00 0.00 H new ATOM 0 HB THR A 679 -0.171 -6.620 -1.898 1.00 0.00 H new ATOM 0 HG1 THR A 679 -0.667 -8.877 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 679 0.547 -6.621 -4.266 1.00 0.00 H new ATOM 0 HG22 THR A 679 1.727 -5.832 -3.192 1.00 0.00 H new ATOM 0 HG23 THR A 679 2.033 -7.479 -3.794 1.00 0.00 H new ATOM 481 N ALA A 680 1.689 -5.467 0.028 1.00 0.00 N ATOM 482 CA ALA A 680 2.344 -4.215 0.393 1.00 0.00 C ATOM 483 C ALA A 680 3.429 -4.427 1.441 1.00 0.00 C ATOM 484 O ALA A 680 3.398 -5.394 2.201 1.00 0.00 O ATOM 485 CB ALA A 680 1.316 -3.213 0.896 1.00 0.00 C ATOM 0 H ALA A 680 0.754 -5.584 0.419 1.00 0.00 H new ATOM 0 HA ALA A 680 2.824 -3.821 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 680 1.816 -2.283 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 680 0.584 -3.018 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 680 0.810 -3.620 1.772 1.00 0.00 H new ATOM 491 N ARG A 681 4.383 -3.502 1.476 1.00 0.00 N ATOM 492 CA ARG A 681 5.482 -3.563 2.432 1.00 0.00 C ATOM 493 C ARG A 681 5.769 -2.176 2.999 1.00 0.00 C ATOM 494 O ARG A 681 5.703 -1.179 2.282 1.00 0.00 O ATOM 495 CB ARG A 681 6.737 -4.121 1.759 1.00 0.00 C ATOM 496 CG ARG A 681 6.597 -5.565 1.309 1.00 0.00 C ATOM 497 CD ARG A 681 6.950 -6.532 2.427 1.00 0.00 C ATOM 498 NE ARG A 681 8.395 -6.680 2.588 1.00 0.00 N ATOM 499 CZ ARG A 681 9.153 -7.451 1.813 1.00 0.00 C ATOM 500 NH1 ARG A 681 8.609 -8.145 0.820 1.00 0.00 N ATOM 501 NH2 ARG A 681 10.458 -7.531 2.031 1.00 0.00 N ATOM 0 H ARG A 681 4.416 -2.698 0.850 1.00 0.00 H new ATOM 0 HA ARG A 681 5.194 -4.224 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 681 6.981 -3.502 0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 681 7.575 -4.045 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 681 5.574 -5.747 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 681 7.246 -5.745 0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 681 6.515 -6.179 3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 681 6.507 -7.506 2.217 1.00 0.00 H new ATOM 0 HE ARG A 681 8.849 -6.161 3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 681 7.605 -8.088 0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 681 9.195 -8.735 0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 681 10.881 -7.001 2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 681 11.039 -8.122 1.437 1.00 0.00 H new ATOM 515 N TYR A 682 6.088 -2.118 4.287 1.00 0.00 N ATOM 516 CA TYR A 682 6.384 -0.849 4.943 1.00 0.00 C ATOM 517 C TYR A 682 7.335 -1.059 6.117 1.00 0.00 C ATOM 518 O TYR A 682 7.297 -2.096 6.778 1.00 0.00 O ATOM 519 CB TYR A 682 5.093 -0.188 5.428 1.00 0.00 C ATOM 520 CG TYR A 682 4.196 0.281 4.304 1.00 0.00 C ATOM 521 CD1 TYR A 682 4.461 1.464 3.625 1.00 0.00 C ATOM 522 CD2 TYR A 682 3.083 -0.459 3.922 1.00 0.00 C ATOM 523 CE1 TYR A 682 3.643 1.895 2.598 1.00 0.00 C ATOM 524 CE2 TYR A 682 2.261 -0.035 2.895 1.00 0.00 C ATOM 525 CZ TYR A 682 2.546 1.143 2.237 1.00 0.00 C ATOM 526 OH TYR A 682 1.729 1.569 1.215 1.00 0.00 O ATOM 0 H TYR A 682 6.148 -2.933 4.897 1.00 0.00 H new ATOM 0 HA TYR A 682 6.866 -0.194 4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 682 4.544 -0.895 6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 682 5.345 0.663 6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 682 5.320 2.056 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 682 2.857 -1.381 4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 682 3.862 2.817 2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 682 1.401 -0.623 2.610 1.00 0.00 H new ATOM 0 HH TYR A 682 1.002 0.924 1.086 1.00 0.00 H new ATOM 536 N CYS A 683 8.190 -0.076 6.373 1.00 0.00 N ATOM 537 CA CYS A 683 9.143 -0.170 7.470 1.00 0.00 C ATOM 538 C CYS A 683 8.578 0.448 8.749 1.00 0.00 C ATOM 539 O CYS A 683 9.053 0.152 9.846 1.00 0.00 O ATOM 540 CB CYS A 683 10.468 0.502 7.091 1.00 0.00 C ATOM 541 SG CYS A 683 10.395 2.305 6.984 1.00 0.00 S ATOM 0 H CYS A 683 8.242 0.791 5.838 1.00 0.00 H new ATOM 0 HA CYS A 683 9.329 -1.227 7.661 1.00 0.00 H new ATOM 0 HB2 CYS A 683 11.224 0.225 7.826 1.00 0.00 H new ATOM 0 HB3 CYS A 683 10.798 0.107 6.130 1.00 0.00 H new ATOM 546 N GLY A 684 7.565 1.304 8.611 1.00 0.00 N ATOM 547 CA GLY A 684 6.972 1.931 9.779 1.00 0.00 C ATOM 548 C GLY A 684 5.501 2.247 9.594 1.00 0.00 C ATOM 549 O GLY A 684 5.046 2.497 8.478 1.00 0.00 O ATOM 0 H GLY A 684 7.149 1.571 7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 684 7.092 1.272 10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 684 7.511 2.851 10.004 1.00 0.00 H new ATOM 553 N SER A 685 4.753 2.230 10.696 1.00 0.00 N ATOM 554 CA SER A 685 3.319 2.510 10.664 1.00 0.00 C ATOM 555 C SER A 685 3.010 3.756 9.837 1.00 0.00 C ATOM 556 O SER A 685 2.031 3.790 9.093 1.00 0.00 O ATOM 557 CB SER A 685 2.782 2.683 12.086 1.00 0.00 C ATOM 558 OG SER A 685 3.377 3.800 12.724 1.00 0.00 O ATOM 0 H SER A 685 5.119 2.024 11.626 1.00 0.00 H new ATOM 0 HA SER A 685 2.826 1.660 10.192 1.00 0.00 H new ATOM 0 HB2 SER A 685 1.700 2.811 12.056 1.00 0.00 H new ATOM 0 HB3 SER A 685 2.980 1.781 12.665 1.00 0.00 H new ATOM 0 HG SER A 685 3.016 3.890 13.631 1.00 0.00 H new ATOM 564 N PHE A 686 3.846 4.779 9.970 1.00 0.00 N ATOM 565 CA PHE A 686 3.646 6.018 9.226 1.00 0.00 C ATOM 566 C PHE A 686 3.774 5.768 7.727 1.00 0.00 C ATOM 567 O PHE A 686 3.086 6.397 6.923 1.00 0.00 O ATOM 568 CB PHE A 686 4.642 7.092 9.678 1.00 0.00 C ATOM 569 CG PHE A 686 6.083 6.715 9.484 1.00 0.00 C ATOM 570 CD1 PHE A 686 6.742 5.930 10.417 1.00 0.00 C ATOM 571 CD2 PHE A 686 6.782 7.152 8.370 1.00 0.00 C ATOM 572 CE1 PHE A 686 8.069 5.588 10.243 1.00 0.00 C ATOM 573 CE2 PHE A 686 8.110 6.814 8.191 1.00 0.00 C ATOM 574 CZ PHE A 686 8.754 6.031 9.129 1.00 0.00 C ATOM 0 H PHE A 686 4.663 4.777 10.581 1.00 0.00 H new ATOM 0 HA PHE A 686 2.639 6.380 9.432 1.00 0.00 H new ATOM 0 HB2 PHE A 686 4.441 8.012 9.129 1.00 0.00 H new ATOM 0 HB3 PHE A 686 4.473 7.307 10.733 1.00 0.00 H new ATOM 0 HD1 PHE A 686 6.212 5.581 11.291 1.00 0.00 H new ATOM 0 HD2 PHE A 686 6.283 7.764 7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 686 8.570 4.975 10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 686 8.644 7.162 7.319 1.00 0.00 H new ATOM 0 HZ PHE A 686 9.792 5.766 8.991 1.00 0.00 H new ATOM 584 N CYS A 687 4.660 4.850 7.355 1.00 0.00 N ATOM 585 CA CYS A 687 4.877 4.524 5.950 1.00 0.00 C ATOM 586 C CYS A 687 3.632 3.898 5.333 1.00 0.00 C ATOM 587 O CYS A 687 3.217 4.274 4.237 1.00 0.00 O ATOM 588 CB CYS A 687 6.065 3.576 5.804 1.00 0.00 C ATOM 589 SG CYS A 687 7.515 4.071 6.759 1.00 0.00 S ATOM 0 H CYS A 687 5.239 4.319 8.006 1.00 0.00 H new ATOM 0 HA CYS A 687 5.092 5.451 5.419 1.00 0.00 H new ATOM 0 HB2 CYS A 687 5.761 2.577 6.115 1.00 0.00 H new ATOM 0 HB3 CYS A 687 6.340 3.512 4.751 1.00 0.00 H new ATOM 594 N GLN A 688 3.040 2.940 6.039 1.00 0.00 N ATOM 595 CA GLN A 688 1.845 2.268 5.547 1.00 0.00 C ATOM 596 C GLN A 688 0.698 3.265 5.379 1.00 0.00 C ATOM 597 O GLN A 688 -0.038 3.216 4.394 1.00 0.00 O ATOM 598 CB GLN A 688 1.451 1.118 6.480 1.00 0.00 C ATOM 599 CG GLN A 688 0.835 1.549 7.802 1.00 0.00 C ATOM 600 CD GLN A 688 -0.073 0.485 8.379 1.00 0.00 C ATOM 601 OE1 GLN A 688 0.005 0.157 9.563 1.00 0.00 O ATOM 602 NE2 GLN A 688 -0.944 -0.061 7.539 1.00 0.00 N ATOM 0 H GLN A 688 3.367 2.614 6.948 1.00 0.00 H new ATOM 0 HA GLN A 688 2.064 1.843 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 688 0.743 0.473 5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 688 2.337 0.518 6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 688 1.628 1.774 8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 688 0.268 2.468 7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 688 -0.973 0.242 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 688 -1.584 -0.784 7.867 1.00 0.00 H new ATOM 611 N HIS A 689 0.558 4.171 6.341 1.00 0.00 N ATOM 612 CA HIS A 689 -0.492 5.184 6.300 1.00 0.00 C ATOM 613 C HIS A 689 -0.223 6.224 5.215 1.00 0.00 C ATOM 614 O HIS A 689 -1.150 6.711 4.567 1.00 0.00 O ATOM 615 CB HIS A 689 -0.616 5.871 7.661 1.00 0.00 C ATOM 616 CG HIS A 689 -1.494 5.130 8.619 1.00 0.00 C ATOM 617 ND1 HIS A 689 -1.747 5.565 9.903 1.00 0.00 N ATOM 618 CD2 HIS A 689 -2.182 3.974 8.472 1.00 0.00 C ATOM 619 CE1 HIS A 689 -2.552 4.709 10.505 1.00 0.00 C ATOM 620 NE2 HIS A 689 -2.832 3.735 9.658 1.00 0.00 N ATOM 0 H HIS A 689 1.161 4.225 7.162 1.00 0.00 H new ATOM 0 HA HIS A 689 -1.430 4.682 6.061 1.00 0.00 H new ATOM 0 HB2 HIS A 689 0.377 5.979 8.098 1.00 0.00 H new ATOM 0 HB3 HIS A 689 -1.013 6.876 7.518 1.00 0.00 H new ATOM 0 HD2 HIS A 689 -2.214 3.355 7.587 1.00 0.00 H new ATOM 0 HE1 HIS A 689 -2.919 4.791 11.517 1.00 0.00 H new ATOM 0 HE2 HIS A 689 -3.434 2.935 9.853 1.00 0.00 H new ATOM 629 N LYS A 690 1.047 6.570 5.031 1.00 0.00 N ATOM 630 CA LYS A 690 1.436 7.565 4.033 1.00 0.00 C ATOM 631 C LYS A 690 0.962 7.172 2.637 1.00 0.00 C ATOM 632 O LYS A 690 0.304 7.951 1.948 1.00 0.00 O ATOM 633 CB LYS A 690 2.957 7.735 4.032 1.00 0.00 C ATOM 634 CG LYS A 690 3.428 9.099 3.550 1.00 0.00 C ATOM 635 CD LYS A 690 2.862 9.445 2.180 1.00 0.00 C ATOM 636 CE LYS A 690 3.233 8.405 1.131 1.00 0.00 C ATOM 637 NZ LYS A 690 4.039 8.994 0.027 1.00 0.00 N ATOM 0 H LYS A 690 1.826 6.177 5.559 1.00 0.00 H new ATOM 0 HA LYS A 690 0.960 8.509 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 690 3.331 7.569 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 690 3.398 6.965 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 690 3.128 9.861 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 690 4.517 9.112 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 690 1.777 9.523 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 690 3.234 10.422 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 690 3.796 7.599 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 690 2.325 7.962 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 690 4.271 8.254 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 690 3.492 9.746 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 690 4.918 9.394 0.414 1.00 0.00 H new ATOM 651 N ASP A 691 1.297 5.953 2.231 1.00 0.00 N ATOM 652 CA ASP A 691 0.901 5.456 0.917 1.00 0.00 C ATOM 653 C ASP A 691 -0.507 4.865 0.956 1.00 0.00 C ATOM 654 O ASP A 691 -1.074 4.525 -0.083 1.00 0.00 O ATOM 655 CB ASP A 691 1.896 4.402 0.429 1.00 0.00 C ATOM 656 CG ASP A 691 3.037 5.005 -0.365 1.00 0.00 C ATOM 657 OD1 ASP A 691 2.941 6.194 -0.736 1.00 0.00 O ATOM 658 OD2 ASP A 691 4.028 4.289 -0.618 1.00 0.00 O ATOM 0 H ASP A 691 1.839 5.293 2.789 1.00 0.00 H new ATOM 0 HA ASP A 691 0.901 6.297 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 691 2.299 3.863 1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 691 1.373 3.672 -0.189 1.00 0.00 H new ATOM 663 N TRP A 692 -1.063 4.733 2.158 1.00 0.00 N ATOM 664 CA TRP A 692 -2.398 4.172 2.337 1.00 0.00 C ATOM 665 C TRP A 692 -3.401 4.751 1.341 1.00 0.00 C ATOM 666 O TRP A 692 -4.196 4.014 0.757 1.00 0.00 O ATOM 667 CB TRP A 692 -2.880 4.412 3.770 1.00 0.00 C ATOM 668 CG TRP A 692 -4.248 3.864 4.050 1.00 0.00 C ATOM 669 CD1 TRP A 692 -5.242 4.472 4.764 1.00 0.00 C ATOM 670 CD2 TRP A 692 -4.771 2.599 3.629 1.00 0.00 C ATOM 671 NE1 TRP A 692 -6.349 3.661 4.812 1.00 0.00 N ATOM 672 CE2 TRP A 692 -6.087 2.509 4.122 1.00 0.00 C ATOM 673 CE3 TRP A 692 -4.259 1.531 2.883 1.00 0.00 C ATOM 674 CZ2 TRP A 692 -6.895 1.398 3.893 1.00 0.00 C ATOM 675 CZ3 TRP A 692 -5.062 0.430 2.657 1.00 0.00 C ATOM 676 CH2 TRP A 692 -6.369 0.371 3.159 1.00 0.00 C ATOM 0 H TRP A 692 -0.606 5.009 3.027 1.00 0.00 H new ATOM 0 HA TRP A 692 -2.332 3.100 2.149 1.00 0.00 H new ATOM 0 HB2 TRP A 692 -2.170 3.961 4.462 1.00 0.00 H new ATOM 0 HB3 TRP A 692 -2.881 5.484 3.968 1.00 0.00 H new ATOM 0 HD1 TRP A 692 -5.168 5.447 5.223 1.00 0.00 H new ATOM 0 HE1 TRP A 692 -7.225 3.882 5.286 1.00 0.00 H new ATOM 0 HE3 TRP A 692 -3.253 1.567 2.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 692 -7.902 1.349 4.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 692 -4.676 -0.400 2.083 1.00 0.00 H new ATOM 0 HH2 TRP A 692 -6.973 -0.503 2.962 1.00 0.00 H new ATOM 687 N GLU A 693 -3.374 6.069 1.152 1.00 0.00 N ATOM 688 CA GLU A 693 -4.297 6.729 0.232 1.00 0.00 C ATOM 689 C GLU A 693 -4.255 6.087 -1.153 1.00 0.00 C ATOM 690 O GLU A 693 -5.291 5.896 -1.790 1.00 0.00 O ATOM 691 CB GLU A 693 -3.983 8.229 0.140 1.00 0.00 C ATOM 692 CG GLU A 693 -3.334 8.657 -1.169 1.00 0.00 C ATOM 693 CD GLU A 693 -2.932 10.119 -1.170 1.00 0.00 C ATOM 694 OE1 GLU A 693 -3.781 10.968 -1.514 1.00 0.00 O ATOM 695 OE2 GLU A 693 -1.768 10.415 -0.828 1.00 0.00 O ATOM 0 H GLU A 693 -2.725 6.699 1.623 1.00 0.00 H new ATOM 0 HA GLU A 693 -5.306 6.607 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -4.908 8.790 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -3.324 8.501 0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -2.453 8.042 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -4.027 8.474 -1.991 1.00 0.00 H new ATOM 702 N LYS A 694 -3.055 5.758 -1.616 1.00 0.00 N ATOM 703 CA LYS A 694 -2.889 5.141 -2.926 1.00 0.00 C ATOM 704 C LYS A 694 -3.021 3.622 -2.842 1.00 0.00 C ATOM 705 O LYS A 694 -3.714 3.004 -3.649 1.00 0.00 O ATOM 706 CB LYS A 694 -1.528 5.513 -3.515 1.00 0.00 C ATOM 707 CG LYS A 694 -1.439 6.959 -3.976 1.00 0.00 C ATOM 708 CD LYS A 694 0.000 7.378 -4.223 1.00 0.00 C ATOM 709 CE LYS A 694 0.705 7.740 -2.926 1.00 0.00 C ATOM 710 NZ LYS A 694 2.123 8.137 -3.155 1.00 0.00 N ATOM 0 H LYS A 694 -2.185 5.908 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 694 -3.679 5.517 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -0.756 5.331 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -1.315 4.857 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -2.018 7.086 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -1.884 7.610 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 694 0.537 6.567 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 694 0.020 8.232 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 694 0.173 8.558 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 694 0.672 6.889 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 2.737 7.634 -2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 2.399 7.892 -4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 2.223 9.163 -3.014 1.00 0.00 H new ATOM 724 N HIS A 695 -2.327 3.028 -1.877 1.00 0.00 N ATOM 725 CA HIS A 695 -2.336 1.580 -1.701 1.00 0.00 C ATOM 726 C HIS A 695 -3.745 1.025 -1.492 1.00 0.00 C ATOM 727 O HIS A 695 -4.086 -0.025 -2.035 1.00 0.00 O ATOM 728 CB HIS A 695 -1.449 1.191 -0.519 1.00 0.00 C ATOM 729 CG HIS A 695 -1.369 -0.285 -0.306 1.00 0.00 C ATOM 730 ND1 HIS A 695 -1.067 -1.187 -1.302 1.00 0.00 N ATOM 731 CD2 HIS A 695 -1.573 -1.018 0.817 1.00 0.00 C ATOM 732 CE1 HIS A 695 -1.099 -2.413 -0.767 1.00 0.00 C ATOM 733 NE2 HIS A 695 -1.401 -2.365 0.517 1.00 0.00 N ATOM 0 H HIS A 695 -1.749 3.529 -1.202 1.00 0.00 H new ATOM 0 HA HIS A 695 -1.946 1.143 -2.620 1.00 0.00 H new ATOM 0 HB2 HIS A 695 -0.445 1.583 -0.681 1.00 0.00 H new ATOM 0 HB3 HIS A 695 -1.833 1.662 0.386 1.00 0.00 H new ATOM 0 HD1 HIS A 695 -0.856 -0.961 -2.274 1.00 0.00 H new ATOM 0 HD2 HIS A 695 -1.828 -0.620 1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 695 -0.903 -3.323 -1.314 1.00 0.00 H new ATOM 741 N HIS A 696 -4.554 1.711 -0.692 1.00 0.00 N ATOM 742 CA HIS A 696 -5.913 1.261 -0.403 1.00 0.00 C ATOM 743 C HIS A 696 -6.732 1.025 -1.668 1.00 0.00 C ATOM 744 O HIS A 696 -7.619 0.171 -1.678 1.00 0.00 O ATOM 745 CB HIS A 696 -6.636 2.211 0.561 1.00 0.00 C ATOM 746 CG HIS A 696 -7.076 3.512 -0.026 1.00 0.00 C ATOM 747 ND1 HIS A 696 -7.954 3.617 -1.084 1.00 0.00 N ATOM 748 CD2 HIS A 696 -6.782 4.779 0.340 1.00 0.00 C ATOM 749 CE1 HIS A 696 -8.178 4.896 -1.338 1.00 0.00 C ATOM 750 NE2 HIS A 696 -7.479 5.618 -0.487 1.00 0.00 N ATOM 0 H HIS A 696 -4.293 2.582 -0.231 1.00 0.00 H new ATOM 0 HA HIS A 696 -5.816 0.296 0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 696 -7.511 1.698 0.960 1.00 0.00 H new ATOM 0 HB3 HIS A 696 -5.976 2.417 1.403 1.00 0.00 H new ATOM 0 HD2 HIS A 696 -6.118 5.075 1.139 1.00 0.00 H new ATOM 0 HE1 HIS A 696 -8.825 5.282 -2.112 1.00 0.00 H new ATOM 0 HE2 HIS A 696 -7.460 6.637 -0.450 1.00 0.00 H new ATOM 759 N HIS A 697 -6.431 1.748 -2.746 1.00 0.00 N ATOM 760 CA HIS A 697 -7.152 1.553 -4.002 1.00 0.00 C ATOM 761 C HIS A 697 -6.953 0.129 -4.520 1.00 0.00 C ATOM 762 O HIS A 697 -7.770 -0.380 -5.286 1.00 0.00 O ATOM 763 CB HIS A 697 -6.661 2.528 -5.079 1.00 0.00 C ATOM 764 CG HIS A 697 -6.706 3.974 -4.697 1.00 0.00 C ATOM 765 ND1 HIS A 697 -7.848 4.610 -4.258 1.00 0.00 N ATOM 766 CD2 HIS A 697 -5.738 4.920 -4.722 1.00 0.00 C ATOM 767 CE1 HIS A 697 -7.579 5.885 -4.033 1.00 0.00 C ATOM 768 NE2 HIS A 697 -6.306 6.097 -4.306 1.00 0.00 N ATOM 0 H HIS A 697 -5.704 2.463 -2.776 1.00 0.00 H new ATOM 0 HA HIS A 697 -8.207 1.735 -3.799 1.00 0.00 H new ATOM 0 HB2 HIS A 697 -5.635 2.269 -5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 697 -7.263 2.387 -5.976 1.00 0.00 H new ATOM 0 HD2 HIS A 697 -4.709 4.775 -5.015 1.00 0.00 H new ATOM 0 HE1 HIS A 697 -8.282 6.627 -3.685 1.00 0.00 H new ATOM 0 HE2 HIS A 697 -5.823 6.991 -4.221 1.00 0.00 H new ATOM 777 N ILE A 698 -5.846 -0.501 -4.124 1.00 0.00 N ATOM 778 CA ILE A 698 -5.530 -1.854 -4.583 1.00 0.00 C ATOM 779 C ILE A 698 -5.569 -2.870 -3.447 1.00 0.00 C ATOM 780 O ILE A 698 -5.435 -4.071 -3.679 1.00 0.00 O ATOM 781 CB ILE A 698 -4.135 -1.941 -5.259 1.00 0.00 C ATOM 782 CG1 ILE A 698 -3.418 -0.585 -5.264 1.00 0.00 C ATOM 783 CG2 ILE A 698 -4.265 -2.477 -6.676 1.00 0.00 C ATOM 784 CD1 ILE A 698 -2.181 -0.560 -4.395 1.00 0.00 C ATOM 0 H ILE A 698 -5.156 -0.098 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 698 -6.302 -2.091 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 698 -3.528 -2.631 -4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -3.140 -0.332 -6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -4.109 0.185 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -3.278 -2.532 -7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -4.709 -3.472 -6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.901 -1.812 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -1.722 0.427 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -2.456 -0.782 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -1.472 -1.308 -4.750 1.00 0.00 H new ATOM 796 N CYS A 699 -5.744 -2.395 -2.222 1.00 0.00 N ATOM 797 CA CYS A 699 -5.789 -3.280 -1.063 1.00 0.00 C ATOM 798 C CYS A 699 -7.055 -4.131 -1.072 1.00 0.00 C ATOM 799 O CYS A 699 -8.154 -3.625 -1.296 1.00 0.00 O ATOM 800 CB CYS A 699 -5.712 -2.472 0.233 1.00 0.00 C ATOM 801 SG CYS A 699 -4.922 -3.353 1.602 1.00 0.00 S ATOM 0 H CYS A 699 -5.857 -1.405 -2.004 1.00 0.00 H new ATOM 0 HA CYS A 699 -4.927 -3.945 -1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 699 -5.163 -1.550 0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 699 -6.721 -2.186 0.532 1.00 0.00 H new ATOM 806 N GLY A 700 -6.890 -5.429 -0.827 1.00 0.00 N ATOM 807 CA GLY A 700 -8.028 -6.330 -0.812 1.00 0.00 C ATOM 808 C GLY A 700 -8.226 -7.038 -2.139 1.00 0.00 C ATOM 809 O GLY A 700 -9.334 -7.462 -2.465 1.00 0.00 O ATOM 0 H GLY A 700 -5.990 -5.871 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 700 -7.890 -7.072 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 700 -8.929 -5.768 -0.566 1.00 0.00 H new ATOM 813 N GLN A 701 -7.147 -7.165 -2.908 1.00 0.00 N ATOM 814 CA GLN A 701 -7.210 -7.826 -4.206 1.00 0.00 C ATOM 815 C GLN A 701 -5.809 -8.070 -4.759 1.00 0.00 C ATOM 816 O GLN A 701 -5.037 -7.132 -4.958 1.00 0.00 O ATOM 817 CB GLN A 701 -8.025 -6.985 -5.192 1.00 0.00 C ATOM 818 CG GLN A 701 -9.389 -7.574 -5.510 1.00 0.00 C ATOM 819 CD GLN A 701 -10.353 -6.545 -6.069 1.00 0.00 C ATOM 820 OE1 GLN A 701 -11.068 -5.878 -5.322 1.00 0.00 O ATOM 821 NE2 GLN A 701 -10.375 -6.412 -7.390 1.00 0.00 N ATOM 0 H GLN A 701 -6.222 -6.819 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 701 -7.701 -8.790 -4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 701 -8.157 -5.984 -4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 701 -7.460 -6.877 -6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 701 -9.272 -8.385 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 701 -9.813 -8.009 -4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 701 -9.764 -6.987 -7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 701 -11.003 -5.735 -7.824 1.00 0.00 H new ATOM 830 N THR A 702 -5.488 -9.336 -5.005 1.00 0.00 N ATOM 831 CA THR A 702 -4.181 -9.704 -5.534 1.00 0.00 C ATOM 832 C THR A 702 -4.020 -9.219 -6.972 1.00 0.00 C ATOM 833 O THR A 702 -3.033 -8.566 -7.310 1.00 0.00 O ATOM 834 CB THR A 702 -3.989 -11.219 -5.471 1.00 0.00 C ATOM 835 OG1 THR A 702 -4.300 -11.710 -4.179 1.00 0.00 O ATOM 836 CG2 THR A 702 -2.580 -11.660 -5.802 1.00 0.00 C ATOM 0 H THR A 702 -6.116 -10.124 -4.846 1.00 0.00 H new ATOM 0 HA THR A 702 -3.420 -9.223 -4.919 1.00 0.00 H new ATOM 0 HB THR A 702 -4.665 -11.626 -6.223 1.00 0.00 H new ATOM 0 HG1 THR A 702 -4.173 -12.681 -4.159 1.00 0.00 H new ATOM 0 HG21 THR A 702 -2.514 -12.746 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 702 -2.326 -11.340 -6.813 1.00 0.00 H new ATOM 0 HG23 THR A 702 -1.883 -11.212 -5.094 1.00 0.00 H new ATOM 844 N LEU A 703 -4.997 -9.543 -7.812 1.00 0.00 N ATOM 845 CA LEU A 703 -4.966 -9.140 -9.213 1.00 0.00 C ATOM 846 C LEU A 703 -6.229 -8.374 -9.587 1.00 0.00 C ATOM 847 O LEU A 703 -7.319 -8.679 -9.104 1.00 0.00 O ATOM 848 CB LEU A 703 -4.813 -10.368 -10.114 1.00 0.00 C ATOM 849 CG LEU A 703 -3.953 -10.154 -11.361 1.00 0.00 C ATOM 850 CD1 LEU A 703 -3.284 -11.454 -11.777 1.00 0.00 C ATOM 851 CD2 LEU A 703 -4.794 -9.596 -12.499 1.00 0.00 C ATOM 0 H LEU A 703 -5.820 -10.084 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 703 -4.109 -8.482 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 703 -4.380 -11.178 -9.527 1.00 0.00 H new ATOM 0 HB3 LEU A 703 -5.804 -10.696 -10.427 1.00 0.00 H new ATOM 0 HG LEU A 703 -3.174 -9.429 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 703 -2.677 -11.282 -12.666 1.00 0.00 H new ATOM 0 HD12 LEU A 703 -2.649 -11.812 -10.967 1.00 0.00 H new ATOM 0 HD13 LEU A 703 -4.046 -12.201 -11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 703 -4.166 -9.450 -13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 703 -5.594 -10.296 -12.737 1.00 0.00 H new ATOM 0 HD23 LEU A 703 -5.225 -8.641 -12.198 1.00 0.00 H new ATOM 863 N GLN A 704 -6.077 -7.375 -10.451 1.00 0.00 N ATOM 864 CA GLN A 704 -7.205 -6.564 -10.891 1.00 0.00 C ATOM 865 C GLN A 704 -7.288 -6.527 -12.414 1.00 0.00 C ATOM 866 O GLN A 704 -6.352 -6.096 -13.086 1.00 0.00 O ATOM 867 CB GLN A 704 -7.082 -5.142 -10.340 1.00 0.00 C ATOM 868 CG GLN A 704 -7.780 -4.945 -9.004 1.00 0.00 C ATOM 869 CD GLN A 704 -9.074 -4.164 -9.131 1.00 0.00 C ATOM 870 OE1 GLN A 704 -10.112 -4.715 -9.499 1.00 0.00 O ATOM 871 NE2 GLN A 704 -9.018 -2.873 -8.827 1.00 0.00 N ATOM 0 H GLN A 704 -5.182 -7.108 -10.860 1.00 0.00 H new ATOM 0 HA GLN A 704 -8.119 -7.018 -10.507 1.00 0.00 H new ATOM 0 HB2 GLN A 704 -6.026 -4.894 -10.229 1.00 0.00 H new ATOM 0 HB3 GLN A 704 -7.499 -4.443 -11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 704 -7.990 -5.919 -8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 704 -7.110 -4.422 -8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 704 -8.136 -2.458 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 704 -9.857 -2.296 -8.894 1.00 0.00 H new ATOM 880 N ALA A 705 -8.415 -6.983 -12.950 1.00 0.00 N ATOM 881 CA ALA A 705 -8.620 -7.003 -14.393 1.00 0.00 C ATOM 882 C ALA A 705 -10.012 -6.496 -14.757 1.00 0.00 C ATOM 883 O ALA A 705 -10.611 -6.944 -15.735 1.00 0.00 O ATOM 884 CB ALA A 705 -8.409 -8.408 -14.937 1.00 0.00 C ATOM 0 H ALA A 705 -9.200 -7.343 -12.407 1.00 0.00 H new ATOM 0 HA ALA A 705 -7.888 -6.336 -14.848 1.00 0.00 H new ATOM 0 HB1 ALA A 705 -8.565 -8.408 -16.016 1.00 0.00 H new ATOM 0 HB2 ALA A 705 -7.392 -8.734 -14.718 1.00 0.00 H new ATOM 0 HB3 ALA A 705 -9.118 -9.090 -14.468 1.00 0.00 H new ATOM 890 N GLN A 706 -10.521 -5.559 -13.965 1.00 0.00 N ATOM 891 CA GLN A 706 -11.843 -4.991 -14.203 1.00 0.00 C ATOM 892 C GLN A 706 -11.815 -3.472 -14.068 1.00 0.00 C ATOM 893 O GLN A 706 -12.175 -2.924 -13.025 1.00 0.00 O ATOM 894 CB GLN A 706 -12.860 -5.583 -13.226 1.00 0.00 C ATOM 895 CG GLN A 706 -14.298 -5.203 -13.539 1.00 0.00 C ATOM 896 CD GLN A 706 -15.052 -6.310 -14.249 1.00 0.00 C ATOM 897 OE1 GLN A 706 -14.539 -7.417 -14.420 1.00 0.00 O ATOM 898 NE2 GLN A 706 -16.278 -6.017 -14.668 1.00 0.00 N ATOM 0 H GLN A 706 -10.038 -5.176 -13.152 1.00 0.00 H new ATOM 0 HA GLN A 706 -12.140 -5.242 -15.221 1.00 0.00 H new ATOM 0 HB2 GLN A 706 -12.770 -6.669 -13.235 1.00 0.00 H new ATOM 0 HB3 GLN A 706 -12.617 -5.251 -12.217 1.00 0.00 H new ATOM 0 HG2 GLN A 706 -14.814 -4.954 -12.612 1.00 0.00 H new ATOM 0 HG3 GLN A 706 -14.306 -4.307 -14.159 1.00 0.00 H new ATOM 0 HE21 GLN A 706 -16.664 -5.087 -14.505 1.00 0.00 H new ATOM 0 HE22 GLN A 706 -16.833 -6.722 -15.153 1.00 0.00 H new ATOM 907 N GLN A 707 -11.385 -2.796 -15.128 1.00 0.00 N ATOM 908 CA GLN A 707 -11.311 -1.340 -15.129 1.00 0.00 C ATOM 909 C GLN A 707 -11.764 -0.771 -16.470 1.00 0.00 C ATOM 910 O GLN A 707 -11.786 0.470 -16.608 1.00 0.00 O ATOM 911 CB GLN A 707 -9.883 -0.881 -14.823 1.00 0.00 C ATOM 912 CG GLN A 707 -9.815 0.454 -14.100 1.00 0.00 C ATOM 913 CD GLN A 707 -9.903 0.306 -12.594 1.00 0.00 C ATOM 914 OE1 GLN A 707 -9.751 -0.791 -12.055 1.00 0.00 O ATOM 915 NE2 GLN A 707 -10.151 1.414 -11.903 1.00 0.00 N ATOM 916 OXT GLN A 707 -12.092 -1.572 -17.370 1.00 0.00 O ATOM 0 H GLN A 707 -11.082 -3.234 -15.998 1.00 0.00 H new ATOM 0 HA GLN A 707 -11.980 -0.967 -14.353 1.00 0.00 H new ATOM 0 HB2 GLN A 707 -9.389 -1.639 -14.216 1.00 0.00 H new ATOM 0 HB3 GLN A 707 -9.326 -0.808 -15.757 1.00 0.00 H new ATOM 0 HG2 GLN A 707 -8.882 0.956 -14.358 1.00 0.00 H new ATOM 0 HG3 GLN A 707 -10.627 1.093 -14.447 1.00 0.00 H new ATOM 0 HE21 GLN A 707 -10.270 2.303 -12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 707 -10.222 1.376 -10.886 1.00 0.00 H new TER 925 GLN A 707 HETATM 926 ZN ZN A 1 9.157 3.306 5.290 1.00 0.00 ZN HETATM 927 ZN ZN A 2 -2.619 -3.676 1.482 1.00 0.00 ZN