USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=16 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 696 HIS : no HD1:sc= -12.9! C(o=-18!,f=-15!) USER MOD Set 1.2: A 697 HIS : no HD1:sc= -5.5! K(o=-18!,f=-15) USER MOD Set 2.1: A 665 ASN : amide:sc= -3.65 K(o=-3.5,f=-7.1!) USER MOD Set 2.2: A 690 LYS NZ :NH3+ -145:sc= 0.175 (180deg=0) USER MOD Set 2.3: A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 685 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 688 GLN : amide:sc= -4.37 K(o=-6.4,f=-4.7) USER MOD Set 3.3: A 689 HIS : no HE2:sc= -2.06 K(o=-6.4,f=-4.7) USER MOD Set 4.1: A 659 SER OG : rot -165:sc= 1.21 USER MOD Set 4.2: A 706 GLN : amide:sc= 1.07 K(o=2.3,f=-3.2) USER MOD Single : A 660 SER OG : rot 180:sc= 0 USER MOD Single : A 662 SER OG : rot 180:sc=-0.00926 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 -178:sc= -0.586 USER MOD Single : A 675 SER OG : rot -61:sc= 1.27 USER MOD Single : A 678 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 679 THR OG1 : rot 63:sc= 0.0906 USER MOD Single : A 682 TYR OH : rot 180:sc= -0.361 USER MOD Single : A 701 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.4!) USER MOD Single : A 702 THR OG1 : rot 180:sc= 0 USER MOD Single : A 704 GLN : amide:sc=-0.00928 X(o=-0.0093,f=0) USER MOD Single : A 707 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B1101 THR OG1 : rot -27:sc= 0.725 USER MOD Single : B1103 SER OG : rot 180:sc= 0.0292 USER MOD Single : B1104 ASN : amide:sc= -0.101 K(o=-0.1,f=-2) USER MOD Single : B1110 SER OG : rot 22:sc= 0.219 USER MOD Single : B1111 SER OG : rot 23:sc= 1.04 USER MOD Single : B1113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR B1101 -9.482 12.550 5.028 1.00 0.00 N ATOM 2 CA THR B1101 -8.825 11.379 5.666 1.00 0.00 C ATOM 3 C THR B1101 -9.298 10.072 5.039 1.00 0.00 C ATOM 4 O THR B1101 -10.039 10.078 4.055 1.00 0.00 O ATOM 5 CB THR B1101 -9.148 11.395 7.162 1.00 0.00 C ATOM 6 OG1 THR B1101 -10.401 12.012 7.397 1.00 0.00 O ATOM 7 CG2 THR B1101 -8.113 12.127 7.989 1.00 0.00 C ATOM 0 HA THR B1101 -7.748 11.445 5.513 1.00 0.00 H new ATOM 0 HB THR B1101 -9.160 10.349 7.467 1.00 0.00 H new ATOM 0 HG1 THR B1101 -10.593 12.648 6.676 1.00 0.00 H new ATOM 0 HG21 THR B1101 -8.402 12.101 9.040 1.00 0.00 H new ATOM 0 HG22 THR B1101 -7.143 11.645 7.868 1.00 0.00 H new ATOM 0 HG23 THR B1101 -8.048 13.163 7.656 1.00 0.00 H new ATOM 15 N ILE B1102 -8.864 8.954 5.612 1.00 0.00 N ATOM 16 CA ILE B1102 -9.243 7.640 5.107 1.00 0.00 C ATOM 17 C ILE B1102 -9.384 6.636 6.246 1.00 0.00 C ATOM 18 O ILE B1102 -8.857 6.843 7.339 1.00 0.00 O ATOM 19 CB ILE B1102 -8.213 7.109 4.093 1.00 0.00 C ATOM 20 CG1 ILE B1102 -7.857 8.196 3.075 1.00 0.00 C ATOM 21 CG2 ILE B1102 -8.749 5.872 3.387 1.00 0.00 C ATOM 22 CD1 ILE B1102 -6.811 7.765 2.071 1.00 0.00 C ATOM 0 H ILE B1102 -8.250 8.932 6.426 1.00 0.00 H new ATOM 0 HA ILE B1102 -10.205 7.757 4.607 1.00 0.00 H new ATOM 0 HB ILE B1102 -7.308 6.831 4.633 1.00 0.00 H new ATOM 0 HG12 ILE B1102 -8.760 8.493 2.542 1.00 0.00 H new ATOM 0 HG13 ILE B1102 -7.497 9.077 3.607 1.00 0.00 H new ATOM 0 HG21 ILE B1102 -8.008 5.510 2.674 1.00 0.00 H new ATOM 0 HG22 ILE B1102 -8.955 5.094 4.122 1.00 0.00 H new ATOM 0 HG23 ILE B1102 -9.668 6.124 2.858 1.00 0.00 H new ATOM 0 HD11 ILE B1102 -6.609 8.585 1.382 1.00 0.00 H new ATOM 0 HD12 ILE B1102 -5.893 7.496 2.594 1.00 0.00 H new ATOM 0 HD13 ILE B1102 -7.176 6.903 1.512 1.00 0.00 H new ATOM 34 N SER B1103 -10.099 5.545 5.983 1.00 0.00 N ATOM 35 CA SER B1103 -10.311 4.505 6.987 1.00 0.00 C ATOM 36 C SER B1103 -8.984 4.005 7.548 1.00 0.00 C ATOM 37 O SER B1103 -7.917 4.505 7.188 1.00 0.00 O ATOM 38 CB SER B1103 -11.094 3.338 6.384 1.00 0.00 C ATOM 39 OG SER B1103 -11.793 2.620 7.386 1.00 0.00 O ATOM 0 H SER B1103 -10.541 5.358 5.083 1.00 0.00 H new ATOM 0 HA SER B1103 -10.887 4.939 7.804 1.00 0.00 H new ATOM 0 HB2 SER B1103 -11.799 3.714 5.643 1.00 0.00 H new ATOM 0 HB3 SER B1103 -10.410 2.668 5.863 1.00 0.00 H new ATOM 0 HG SER B1103 -12.287 1.880 6.974 1.00 0.00 H new ATOM 45 N ASN B1104 -9.056 3.017 8.434 1.00 0.00 N ATOM 46 CA ASN B1104 -7.859 2.449 9.047 1.00 0.00 C ATOM 47 C ASN B1104 -7.496 1.112 8.399 1.00 0.00 C ATOM 48 O ASN B1104 -8.258 0.150 8.481 1.00 0.00 O ATOM 49 CB ASN B1104 -8.074 2.258 10.549 1.00 0.00 C ATOM 50 CG ASN B1104 -8.508 3.538 11.237 1.00 0.00 C ATOM 51 OD1 ASN B1104 -8.461 4.619 10.651 1.00 0.00 O ATOM 52 ND2 ASN B1104 -8.934 3.421 12.491 1.00 0.00 N ATOM 0 H ASN B1104 -9.930 2.593 8.744 1.00 0.00 H new ATOM 0 HA ASN B1104 -7.035 3.144 8.889 1.00 0.00 H new ATOM 0 HB2 ASN B1104 -8.828 1.488 10.711 1.00 0.00 H new ATOM 0 HB3 ASN B1104 -7.150 1.900 11.003 1.00 0.00 H new ATOM 0 HD21 ASN B1104 -9.238 4.248 13.005 1.00 0.00 H new ATOM 0 HD22 ASN B1104 -8.956 2.505 12.939 1.00 0.00 H new ATOM 59 N PRO B1105 -6.322 1.032 7.745 1.00 0.00 N ATOM 60 CA PRO B1105 -5.869 -0.199 7.086 1.00 0.00 C ATOM 61 C PRO B1105 -5.530 -1.303 8.085 1.00 0.00 C ATOM 62 O PRO B1105 -5.237 -1.031 9.249 1.00 0.00 O ATOM 63 CB PRO B1105 -4.611 0.239 6.332 1.00 0.00 C ATOM 64 CG PRO B1105 -4.121 1.434 7.072 1.00 0.00 C ATOM 65 CD PRO B1105 -5.346 2.129 7.594 1.00 0.00 C ATOM 0 HA PRO B1105 -6.642 -0.621 6.444 1.00 0.00 H new ATOM 0 HB2 PRO B1105 -3.862 -0.553 6.319 1.00 0.00 H new ATOM 0 HB3 PRO B1105 -4.837 0.482 5.294 1.00 0.00 H new ATOM 0 HG2 PRO B1105 -3.460 1.143 7.888 1.00 0.00 H new ATOM 0 HG3 PRO B1105 -3.549 2.091 6.417 1.00 0.00 H new ATOM 0 HD2 PRO B1105 -5.151 2.628 8.544 1.00 0.00 H new ATOM 0 HD3 PRO B1105 -5.702 2.891 6.901 1.00 0.00 H new ATOM 73 N PRO B1106 -5.562 -2.571 7.638 1.00 0.00 N ATOM 74 CA PRO B1106 -5.255 -3.721 8.497 1.00 0.00 C ATOM 75 C PRO B1106 -3.876 -3.606 9.144 1.00 0.00 C ATOM 76 O PRO B1106 -3.105 -2.703 8.824 1.00 0.00 O ATOM 77 CB PRO B1106 -5.296 -4.912 7.534 1.00 0.00 C ATOM 78 CG PRO B1106 -6.150 -4.458 6.401 1.00 0.00 C ATOM 79 CD PRO B1106 -5.901 -2.983 6.264 1.00 0.00 C ATOM 0 HA PRO B1106 -5.956 -3.807 9.327 1.00 0.00 H new ATOM 0 HB2 PRO B1106 -4.296 -5.179 7.193 1.00 0.00 H new ATOM 0 HB3 PRO B1106 -5.715 -5.796 8.016 1.00 0.00 H new ATOM 0 HG2 PRO B1106 -5.892 -4.985 5.482 1.00 0.00 H new ATOM 0 HG3 PRO B1106 -7.203 -4.660 6.600 1.00 0.00 H new ATOM 0 HD2 PRO B1106 -5.088 -2.775 5.569 1.00 0.00 H new ATOM 0 HD3 PRO B1106 -6.781 -2.459 5.892 1.00 0.00 H new ATOM 87 N PRO B1107 -3.547 -4.525 10.070 1.00 0.00 N ATOM 88 CA PRO B1107 -2.255 -4.522 10.764 1.00 0.00 C ATOM 89 C PRO B1107 -1.106 -4.959 9.862 1.00 0.00 C ATOM 90 O PRO B1107 -1.321 -5.592 8.828 1.00 0.00 O ATOM 91 CB PRO B1107 -2.460 -5.532 11.894 1.00 0.00 C ATOM 92 CG PRO B1107 -3.499 -6.465 11.379 1.00 0.00 C ATOM 93 CD PRO B1107 -4.410 -5.638 10.515 1.00 0.00 C ATOM 0 HA PRO B1107 -1.980 -3.524 11.107 1.00 0.00 H new ATOM 0 HB2 PRO B1107 -1.535 -6.059 12.128 1.00 0.00 H new ATOM 0 HB3 PRO B1107 -2.787 -5.041 12.810 1.00 0.00 H new ATOM 0 HG2 PRO B1107 -3.047 -7.274 10.806 1.00 0.00 H new ATOM 0 HG3 PRO B1107 -4.051 -6.925 12.199 1.00 0.00 H new ATOM 0 HD2 PRO B1107 -4.792 -6.212 9.671 1.00 0.00 H new ATOM 0 HD3 PRO B1107 -5.274 -5.277 11.073 1.00 0.00 H new ATOM 101 N LEU B1108 0.115 -4.618 10.262 1.00 0.00 N ATOM 102 CA LEU B1108 1.300 -4.979 9.491 1.00 0.00 C ATOM 103 C LEU B1108 1.945 -6.248 10.044 1.00 0.00 C ATOM 104 O LEU B1108 1.918 -6.495 11.249 1.00 0.00 O ATOM 105 CB LEU B1108 2.313 -3.832 9.506 1.00 0.00 C ATOM 106 CG LEU B1108 1.947 -2.630 8.634 1.00 0.00 C ATOM 107 CD1 LEU B1108 2.991 -1.532 8.774 1.00 0.00 C ATOM 108 CD2 LEU B1108 1.800 -3.050 7.178 1.00 0.00 C ATOM 0 H LEU B1108 0.310 -4.093 11.114 1.00 0.00 H new ATOM 0 HA LEU B1108 0.989 -5.168 8.463 1.00 0.00 H new ATOM 0 HB2 LEU B1108 2.437 -3.491 10.534 1.00 0.00 H new ATOM 0 HB3 LEU B1108 3.279 -4.217 9.179 1.00 0.00 H new ATOM 0 HG LEU B1108 0.989 -2.237 8.974 1.00 0.00 H new ATOM 0 HD11 LEU B1108 2.714 -0.685 8.147 1.00 0.00 H new ATOM 0 HD12 LEU B1108 3.044 -1.211 9.814 1.00 0.00 H new ATOM 0 HD13 LEU B1108 3.963 -1.913 8.462 1.00 0.00 H new ATOM 0 HD21 LEU B1108 1.539 -2.181 6.573 1.00 0.00 H new ATOM 0 HD22 LEU B1108 2.741 -3.470 6.824 1.00 0.00 H new ATOM 0 HD23 LEU B1108 1.014 -3.800 7.093 1.00 0.00 H new ATOM 120 N ILE B1109 2.528 -7.047 9.154 1.00 0.00 N ATOM 121 CA ILE B1109 3.183 -8.288 9.554 1.00 0.00 C ATOM 122 C ILE B1109 4.680 -8.233 9.271 1.00 0.00 C ATOM 123 O ILE B1109 5.097 -8.016 8.134 1.00 0.00 O ATOM 124 CB ILE B1109 2.579 -9.516 8.836 1.00 0.00 C ATOM 125 CG1 ILE B1109 2.056 -9.139 7.451 1.00 0.00 C ATOM 126 CG2 ILE B1109 1.463 -10.121 9.672 1.00 0.00 C ATOM 127 CD1 ILE B1109 1.731 -10.335 6.582 1.00 0.00 C ATOM 0 H ILE B1109 2.560 -6.857 8.152 1.00 0.00 H new ATOM 0 HA ILE B1109 3.018 -8.395 10.626 1.00 0.00 H new ATOM 0 HB ILE B1109 3.369 -10.257 8.712 1.00 0.00 H new ATOM 0 HG12 ILE B1109 1.161 -8.528 7.564 1.00 0.00 H new ATOM 0 HG13 ILE B1109 2.800 -8.524 6.945 1.00 0.00 H new ATOM 0 HG21 ILE B1109 1.047 -10.985 9.153 1.00 0.00 H new ATOM 0 HG22 ILE B1109 1.860 -10.434 10.638 1.00 0.00 H new ATOM 0 HG23 ILE B1109 0.680 -9.379 9.825 1.00 0.00 H new ATOM 0 HD11 ILE B1109 1.365 -9.993 5.614 1.00 0.00 H new ATOM 0 HD12 ILE B1109 2.629 -10.936 6.439 1.00 0.00 H new ATOM 0 HD13 ILE B1109 0.964 -10.939 7.067 1.00 0.00 H new ATOM 139 N SER B1110 5.484 -8.435 10.310 1.00 0.00 N ATOM 140 CA SER B1110 6.936 -8.409 10.164 1.00 0.00 C ATOM 141 C SER B1110 7.459 -9.764 9.701 1.00 0.00 C ATOM 142 O SER B1110 7.145 -10.797 10.291 1.00 0.00 O ATOM 143 CB SER B1110 7.597 -8.020 11.487 1.00 0.00 C ATOM 144 OG SER B1110 7.281 -8.948 12.510 1.00 0.00 O ATOM 0 H SER B1110 5.157 -8.618 11.259 1.00 0.00 H new ATOM 0 HA SER B1110 7.187 -7.664 9.409 1.00 0.00 H new ATOM 0 HB2 SER B1110 8.678 -7.973 11.356 1.00 0.00 H new ATOM 0 HB3 SER B1110 7.268 -7.024 11.782 1.00 0.00 H new ATOM 0 HG SER B1110 7.012 -9.800 12.107 1.00 0.00 H new ATOM 150 N SER B1111 8.260 -9.752 8.641 1.00 0.00 N ATOM 151 CA SER B1111 8.829 -10.981 8.097 1.00 0.00 C ATOM 152 C SER B1111 10.353 -10.931 8.118 1.00 0.00 C ATOM 153 O SER B1111 10.964 -10.070 7.485 1.00 0.00 O ATOM 154 CB SER B1111 8.332 -11.208 6.668 1.00 0.00 C ATOM 155 OG SER B1111 8.882 -10.251 5.779 1.00 0.00 O ATOM 0 H SER B1111 8.530 -8.905 8.141 1.00 0.00 H new ATOM 0 HA SER B1111 8.504 -11.812 8.723 1.00 0.00 H new ATOM 0 HB2 SER B1111 8.603 -12.212 6.340 1.00 0.00 H new ATOM 0 HB3 SER B1111 7.244 -11.148 6.644 1.00 0.00 H new ATOM 0 HG SER B1111 9.709 -9.888 6.160 1.00 0.00 H new ATOM 161 N ALA B1112 10.959 -11.860 8.849 1.00 0.00 N ATOM 162 CA ALA B1112 12.412 -11.922 8.953 1.00 0.00 C ATOM 163 C ALA B1112 12.860 -13.220 9.617 1.00 0.00 C ATOM 164 O ALA B1112 12.745 -13.380 10.832 1.00 0.00 O ATOM 165 CB ALA B1112 12.936 -10.722 9.728 1.00 0.00 C ATOM 0 H ALA B1112 10.467 -12.580 9.378 1.00 0.00 H new ATOM 0 HA ALA B1112 12.826 -11.899 7.945 1.00 0.00 H new ATOM 0 HB1 ALA B1112 14.022 -10.780 9.798 1.00 0.00 H new ATOM 0 HB2 ALA B1112 12.655 -9.804 9.212 1.00 0.00 H new ATOM 0 HB3 ALA B1112 12.507 -10.720 10.730 1.00 0.00 H new ATOM 171 N LYS B1113 13.372 -14.145 8.810 1.00 0.00 N ATOM 172 CA LYS B1113 13.838 -15.430 9.320 1.00 0.00 C ATOM 173 C LYS B1113 15.353 -15.551 9.187 1.00 0.00 C ATOM 174 O LYS B1113 15.939 -15.097 8.204 1.00 0.00 O ATOM 175 CB LYS B1113 13.157 -16.577 8.571 1.00 0.00 C ATOM 176 CG LYS B1113 11.812 -16.973 9.160 1.00 0.00 C ATOM 177 CD LYS B1113 11.644 -18.485 9.201 1.00 0.00 C ATOM 178 CE LYS B1113 11.194 -19.035 7.856 1.00 0.00 C ATOM 179 NZ LYS B1113 9.962 -19.861 7.978 1.00 0.00 N ATOM 0 H LYS B1113 13.474 -14.029 7.802 1.00 0.00 H new ATOM 0 HA LYS B1113 13.577 -15.489 10.377 1.00 0.00 H new ATOM 0 HB2 LYS B1113 13.017 -16.288 7.529 1.00 0.00 H new ATOM 0 HB3 LYS B1113 13.816 -17.445 8.575 1.00 0.00 H new ATOM 0 HG2 LYS B1113 11.722 -16.568 10.168 1.00 0.00 H new ATOM 0 HG3 LYS B1113 11.010 -16.533 8.567 1.00 0.00 H new ATOM 0 HD2 LYS B1113 12.588 -18.949 9.487 1.00 0.00 H new ATOM 0 HD3 LYS B1113 10.914 -18.750 9.966 1.00 0.00 H new ATOM 0 HE2 LYS B1113 11.011 -18.209 7.169 1.00 0.00 H new ATOM 0 HE3 LYS B1113 11.993 -19.637 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS B1113 9.688 -20.217 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS B1113 10.144 -20.664 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS B1113 9.192 -19.280 8.366 1.00 0.00 H new TER 193 LYS B1113 ATOM 194 N ASP A 658 7.873 -13.866 -0.354 1.00 0.00 N ATOM 195 CA ASP A 658 8.373 -12.501 -0.463 1.00 0.00 C ATOM 196 C ASP A 658 8.433 -12.059 -1.921 1.00 0.00 C ATOM 197 O ASP A 658 8.233 -12.862 -2.833 1.00 0.00 O ATOM 198 CB ASP A 658 9.760 -12.391 0.174 1.00 0.00 C ATOM 199 CG ASP A 658 9.758 -12.791 1.636 1.00 0.00 C ATOM 200 OD1 ASP A 658 9.544 -13.987 1.925 1.00 0.00 O ATOM 201 OD2 ASP A 658 9.969 -11.906 2.493 1.00 0.00 O ATOM 0 HA ASP A 658 7.684 -11.844 0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 658 10.459 -13.025 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 658 10.119 -11.366 0.081 1.00 0.00 H new ATOM 206 N SER A 659 8.710 -10.776 -2.134 1.00 0.00 N ATOM 207 CA SER A 659 8.796 -10.227 -3.484 1.00 0.00 C ATOM 208 C SER A 659 10.009 -9.312 -3.621 1.00 0.00 C ATOM 209 O SER A 659 10.868 -9.527 -4.477 1.00 0.00 O ATOM 210 CB SER A 659 7.521 -9.457 -3.826 1.00 0.00 C ATOM 211 OG SER A 659 6.555 -10.306 -4.423 1.00 0.00 O ATOM 0 H SER A 659 8.879 -10.098 -1.391 1.00 0.00 H new ATOM 0 HA SER A 659 8.908 -11.057 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 659 7.108 -9.012 -2.921 1.00 0.00 H new ATOM 0 HB3 SER A 659 7.758 -8.638 -4.505 1.00 0.00 H new ATOM 0 HG SER A 659 5.857 -9.762 -4.844 1.00 0.00 H new ATOM 217 N SER A 660 10.072 -8.291 -2.773 1.00 0.00 N ATOM 218 CA SER A 660 11.180 -7.343 -2.800 1.00 0.00 C ATOM 219 C SER A 660 11.251 -6.553 -1.497 1.00 0.00 C ATOM 220 O SER A 660 10.232 -6.081 -0.990 1.00 0.00 O ATOM 221 CB SER A 660 11.032 -6.386 -3.983 1.00 0.00 C ATOM 222 OG SER A 660 9.670 -6.225 -4.341 1.00 0.00 O ATOM 0 H SER A 660 9.369 -8.099 -2.059 1.00 0.00 H new ATOM 0 HA SER A 660 12.106 -7.907 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 660 11.461 -5.417 -3.727 1.00 0.00 H new ATOM 0 HB3 SER A 660 11.593 -6.768 -4.836 1.00 0.00 H new ATOM 0 HG SER A 660 9.602 -5.607 -5.099 1.00 0.00 H new ATOM 228 N GLU A 661 12.458 -6.412 -0.961 1.00 0.00 N ATOM 229 CA GLU A 661 12.661 -5.678 0.283 1.00 0.00 C ATOM 230 C GLU A 661 12.810 -4.184 0.016 1.00 0.00 C ATOM 231 O GLU A 661 13.905 -3.701 -0.272 1.00 0.00 O ATOM 232 CB GLU A 661 13.899 -6.202 1.012 1.00 0.00 C ATOM 233 CG GLU A 661 13.777 -7.652 1.454 1.00 0.00 C ATOM 234 CD GLU A 661 14.005 -7.830 2.942 1.00 0.00 C ATOM 235 OE1 GLU A 661 13.740 -6.875 3.702 1.00 0.00 O ATOM 236 OE2 GLU A 661 14.448 -8.927 3.348 1.00 0.00 O ATOM 0 H GLU A 661 13.311 -6.796 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 661 11.784 -5.831 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 661 14.765 -6.102 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 661 14.086 -5.579 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 661 12.786 -8.025 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 661 14.498 -8.257 0.905 1.00 0.00 H new ATOM 243 N SER A 662 11.702 -3.456 0.113 1.00 0.00 N ATOM 244 CA SER A 662 11.714 -2.017 -0.117 1.00 0.00 C ATOM 245 C SER A 662 10.396 -1.382 0.315 1.00 0.00 C ATOM 246 O SER A 662 9.319 -1.874 -0.019 1.00 0.00 O ATOM 247 CB SER A 662 11.981 -1.716 -1.593 1.00 0.00 C ATOM 248 OG SER A 662 11.587 -2.802 -2.414 1.00 0.00 O ATOM 0 H SER A 662 10.786 -3.839 0.349 1.00 0.00 H new ATOM 0 HA SER A 662 12.515 -1.587 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 662 11.439 -0.818 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 662 13.041 -1.511 -1.740 1.00 0.00 H new ATOM 0 HG SER A 662 11.766 -2.584 -3.353 1.00 0.00 H new ATOM 254 N CYS A 663 10.491 -0.289 1.065 1.00 0.00 N ATOM 255 CA CYS A 663 9.312 0.416 1.551 1.00 0.00 C ATOM 256 C CYS A 663 8.542 1.056 0.400 1.00 0.00 C ATOM 257 O CYS A 663 9.103 1.815 -0.390 1.00 0.00 O ATOM 258 CB CYS A 663 9.731 1.490 2.552 1.00 0.00 C ATOM 259 SG CYS A 663 8.424 2.007 3.687 1.00 0.00 S ATOM 0 H CYS A 663 11.377 0.129 1.350 1.00 0.00 H new ATOM 0 HA CYS A 663 8.658 -0.306 2.040 1.00 0.00 H new ATOM 0 HB2 CYS A 663 10.574 1.117 3.134 1.00 0.00 H new ATOM 0 HB3 CYS A 663 10.084 2.363 2.003 1.00 0.00 H new ATOM 264 N TRP A 664 7.254 0.743 0.311 1.00 0.00 N ATOM 265 CA TRP A 664 6.407 1.286 -0.745 1.00 0.00 C ATOM 266 C TRP A 664 6.296 2.809 -0.651 1.00 0.00 C ATOM 267 O TRP A 664 5.978 3.480 -1.633 1.00 0.00 O ATOM 268 CB TRP A 664 5.011 0.661 -0.681 1.00 0.00 C ATOM 269 CG TRP A 664 4.970 -0.757 -1.163 1.00 0.00 C ATOM 270 CD1 TRP A 664 5.954 -1.696 -1.029 1.00 0.00 C ATOM 271 CD2 TRP A 664 3.893 -1.401 -1.856 1.00 0.00 C ATOM 272 NE1 TRP A 664 5.554 -2.882 -1.595 1.00 0.00 N ATOM 273 CE2 TRP A 664 4.293 -2.727 -2.110 1.00 0.00 C ATOM 274 CE3 TRP A 664 2.627 -0.988 -2.287 1.00 0.00 C ATOM 275 CZ2 TRP A 664 3.476 -3.639 -2.774 1.00 0.00 C ATOM 276 CZ3 TRP A 664 1.817 -1.895 -2.945 1.00 0.00 C ATOM 277 CH2 TRP A 664 2.244 -3.207 -3.183 1.00 0.00 C ATOM 0 H TRP A 664 6.774 0.116 0.957 1.00 0.00 H new ATOM 0 HA TRP A 664 6.873 1.038 -1.699 1.00 0.00 H new ATOM 0 HB2 TRP A 664 4.652 0.698 0.347 1.00 0.00 H new ATOM 0 HB3 TRP A 664 4.325 1.260 -1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 664 6.907 -1.530 -0.548 1.00 0.00 H new ATOM 0 HE1 TRP A 664 6.106 -3.739 -1.627 1.00 0.00 H new ATOM 0 HE3 TRP A 664 2.289 0.022 -2.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 664 3.803 -4.651 -2.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 664 0.838 -1.586 -3.281 1.00 0.00 H new ATOM 0 HH2 TRP A 664 1.588 -3.892 -3.700 1.00 0.00 H new ATOM 288 N ASN A 665 6.551 3.347 0.542 1.00 0.00 N ATOM 289 CA ASN A 665 6.472 4.788 0.771 1.00 0.00 C ATOM 290 C ASN A 665 7.861 5.430 0.792 1.00 0.00 C ATOM 291 O ASN A 665 8.170 6.289 -0.034 1.00 0.00 O ATOM 292 CB ASN A 665 5.748 5.068 2.095 1.00 0.00 C ATOM 293 CG ASN A 665 6.049 6.450 2.654 1.00 0.00 C ATOM 294 OD1 ASN A 665 5.774 7.465 2.014 1.00 0.00 O ATOM 295 ND2 ASN A 665 6.625 6.491 3.849 1.00 0.00 N ATOM 0 H ASN A 665 6.814 2.805 1.365 1.00 0.00 H new ATOM 0 HA ASN A 665 5.911 5.228 -0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 665 4.673 4.969 1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 665 6.037 4.314 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 665 6.858 7.389 4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 665 6.835 5.624 4.344 1.00 0.00 H new ATOM 302 N CYS A 666 8.687 5.016 1.750 1.00 0.00 N ATOM 303 CA CYS A 666 10.035 5.561 1.888 1.00 0.00 C ATOM 304 C CYS A 666 10.824 5.441 0.586 1.00 0.00 C ATOM 305 O CYS A 666 11.238 6.448 0.012 1.00 0.00 O ATOM 306 CB CYS A 666 10.786 4.857 3.021 1.00 0.00 C ATOM 307 SG CYS A 666 10.256 5.351 4.677 1.00 0.00 S ATOM 0 H CYS A 666 8.447 4.306 2.441 1.00 0.00 H new ATOM 0 HA CYS A 666 9.937 6.620 2.128 1.00 0.00 H new ATOM 0 HB2 CYS A 666 10.655 3.780 2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 666 11.852 5.060 2.917 1.00 0.00 H new ATOM 312 N GLY A 667 11.034 4.211 0.125 1.00 0.00 N ATOM 313 CA GLY A 667 11.777 4.003 -1.103 1.00 0.00 C ATOM 314 C GLY A 667 13.196 3.535 -0.846 1.00 0.00 C ATOM 315 O GLY A 667 14.082 3.729 -1.679 1.00 0.00 O ATOM 0 H GLY A 667 10.704 3.359 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 667 11.260 3.266 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 667 11.801 4.932 -1.672 1.00 0.00 H new ATOM 319 N ARG A 668 13.413 2.916 0.312 1.00 0.00 N ATOM 320 CA ARG A 668 14.734 2.419 0.677 1.00 0.00 C ATOM 321 C ARG A 668 14.667 0.958 1.105 1.00 0.00 C ATOM 322 O ARG A 668 15.214 0.080 0.439 1.00 0.00 O ATOM 323 CB ARG A 668 15.328 3.267 1.804 1.00 0.00 C ATOM 324 CG ARG A 668 15.839 4.622 1.343 1.00 0.00 C ATOM 325 CD ARG A 668 17.135 4.497 0.558 1.00 0.00 C ATOM 326 NE ARG A 668 18.257 4.102 1.409 1.00 0.00 N ATOM 327 CZ ARG A 668 18.623 2.840 1.624 1.00 0.00 C ATOM 328 NH1 ARG A 668 17.960 1.839 1.059 1.00 0.00 N ATOM 329 NH2 ARG A 668 19.659 2.577 2.409 1.00 0.00 N ATOM 0 H ARG A 668 12.691 2.747 1.012 1.00 0.00 H new ATOM 0 HA ARG A 668 15.377 2.492 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 668 14.570 3.417 2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 668 16.148 2.718 2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 668 15.083 5.104 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 668 15.999 5.265 2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 668 17.007 3.763 -0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 668 17.362 5.449 0.079 1.00 0.00 H new ATOM 0 HE ARG A 668 18.793 4.840 1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 668 17.162 2.033 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 668 18.248 0.876 1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 668 20.174 3.341 2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 668 19.941 1.611 2.575 1.00 0.00 H new ATOM 343 N LYS A 669 13.991 0.701 2.221 1.00 0.00 N ATOM 344 CA LYS A 669 13.857 -0.659 2.732 1.00 0.00 C ATOM 345 C LYS A 669 12.634 -0.791 3.640 1.00 0.00 C ATOM 346 O LYS A 669 12.211 0.172 4.279 1.00 0.00 O ATOM 347 CB LYS A 669 15.124 -1.069 3.488 1.00 0.00 C ATOM 348 CG LYS A 669 15.238 -0.464 4.879 1.00 0.00 C ATOM 349 CD LYS A 669 14.516 -1.314 5.914 1.00 0.00 C ATOM 350 CE LYS A 669 13.676 -0.462 6.854 1.00 0.00 C ATOM 351 NZ LYS A 669 14.047 -0.678 8.280 1.00 0.00 N ATOM 0 H LYS A 669 13.529 1.413 2.787 1.00 0.00 H new ATOM 0 HA LYS A 669 13.719 -1.326 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 669 15.149 -2.155 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 669 15.995 -0.775 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 669 16.289 -0.370 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 669 14.819 0.542 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 669 13.876 -2.037 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 669 15.245 -1.882 6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 669 13.803 0.591 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 669 12.621 -0.698 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 13.452 -0.080 8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 13.902 -1.677 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 15.047 -0.428 8.420 1.00 0.00 H new ATOM 365 N ALA A 670 12.077 -1.998 3.690 1.00 0.00 N ATOM 366 CA ALA A 670 10.908 -2.273 4.519 1.00 0.00 C ATOM 367 C ALA A 670 11.000 -3.659 5.153 1.00 0.00 C ATOM 368 O ALA A 670 11.508 -4.597 4.540 1.00 0.00 O ATOM 369 CB ALA A 670 9.636 -2.151 3.694 1.00 0.00 C ATOM 0 H ALA A 670 12.418 -2.803 3.164 1.00 0.00 H new ATOM 0 HA ALA A 670 10.879 -1.536 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 670 8.772 -2.359 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 670 9.558 -1.140 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 670 9.665 -2.866 2.872 1.00 0.00 H new ATOM 375 N SER A 671 10.520 -3.779 6.389 1.00 0.00 N ATOM 376 CA SER A 671 10.564 -5.050 7.109 1.00 0.00 C ATOM 377 C SER A 671 9.166 -5.543 7.483 1.00 0.00 C ATOM 378 O SER A 671 9.014 -6.652 7.995 1.00 0.00 O ATOM 379 CB SER A 671 11.418 -4.911 8.369 1.00 0.00 C ATOM 380 OG SER A 671 12.319 -3.823 8.258 1.00 0.00 O ATOM 0 H SER A 671 10.097 -3.013 6.912 1.00 0.00 H new ATOM 0 HA SER A 671 11.010 -5.788 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 671 10.772 -4.765 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 671 11.975 -5.833 8.538 1.00 0.00 H new ATOM 0 HG SER A 671 12.852 -3.755 9.077 1.00 0.00 H new ATOM 386 N GLU A 672 8.147 -4.726 7.227 1.00 0.00 N ATOM 387 CA GLU A 672 6.773 -5.108 7.546 1.00 0.00 C ATOM 388 C GLU A 672 5.983 -5.373 6.271 1.00 0.00 C ATOM 389 O GLU A 672 6.353 -4.916 5.191 1.00 0.00 O ATOM 390 CB GLU A 672 6.078 -4.023 8.376 1.00 0.00 C ATOM 391 CG GLU A 672 6.998 -3.300 9.349 1.00 0.00 C ATOM 392 CD GLU A 672 7.149 -4.035 10.667 1.00 0.00 C ATOM 393 OE1 GLU A 672 6.588 -5.143 10.799 1.00 0.00 O ATOM 394 OE2 GLU A 672 7.831 -3.502 11.568 1.00 0.00 O ATOM 0 H GLU A 672 8.244 -3.803 6.803 1.00 0.00 H new ATOM 0 HA GLU A 672 6.810 -6.023 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 672 5.635 -3.292 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 672 5.260 -4.477 8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 672 7.980 -3.177 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 672 6.607 -2.300 9.538 1.00 0.00 H new ATOM 401 N THR A 673 4.902 -6.133 6.405 1.00 0.00 N ATOM 402 CA THR A 673 4.067 -6.484 5.264 1.00 0.00 C ATOM 403 C THR A 673 2.587 -6.263 5.565 1.00 0.00 C ATOM 404 O THR A 673 2.111 -6.564 6.657 1.00 0.00 O ATOM 405 CB THR A 673 4.313 -7.944 4.866 1.00 0.00 C ATOM 406 OG1 THR A 673 5.655 -8.127 4.451 1.00 0.00 O ATOM 407 CG2 THR A 673 3.418 -8.422 3.742 1.00 0.00 C ATOM 0 H THR A 673 4.584 -6.518 7.294 1.00 0.00 H new ATOM 0 HA THR A 673 4.339 -5.832 4.434 1.00 0.00 H new ATOM 0 HB THR A 673 4.088 -8.528 5.758 1.00 0.00 H new ATOM 0 HG1 THR A 673 5.787 -9.057 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 673 3.647 -9.463 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 673 2.375 -8.338 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 673 3.587 -7.809 2.856 1.00 0.00 H new ATOM 415 N CYS A 674 1.864 -5.736 4.585 1.00 0.00 N ATOM 416 CA CYS A 674 0.437 -5.485 4.740 1.00 0.00 C ATOM 417 C CYS A 674 -0.323 -6.805 4.837 1.00 0.00 C ATOM 418 O CYS A 674 -0.486 -7.514 3.845 1.00 0.00 O ATOM 419 CB CYS A 674 -0.076 -4.659 3.558 1.00 0.00 C ATOM 420 SG CYS A 674 -1.864 -4.391 3.552 1.00 0.00 S ATOM 0 H CYS A 674 2.242 -5.474 3.675 1.00 0.00 H new ATOM 0 HA CYS A 674 0.272 -4.924 5.660 1.00 0.00 H new ATOM 0 HB2 CYS A 674 0.424 -3.690 3.563 1.00 0.00 H new ATOM 0 HB3 CYS A 674 0.207 -5.159 2.632 1.00 0.00 H new ATOM 425 N SER A 675 -0.773 -7.136 6.045 1.00 0.00 N ATOM 426 CA SER A 675 -1.505 -8.377 6.284 1.00 0.00 C ATOM 427 C SER A 675 -2.865 -8.388 5.584 1.00 0.00 C ATOM 428 O SER A 675 -3.527 -9.424 5.522 1.00 0.00 O ATOM 429 CB SER A 675 -1.694 -8.598 7.785 1.00 0.00 C ATOM 430 OG SER A 675 -2.640 -7.688 8.319 1.00 0.00 O ATOM 0 H SER A 675 -0.643 -6.560 6.876 1.00 0.00 H new ATOM 0 HA SER A 675 -0.910 -9.189 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 675 -2.026 -9.620 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 675 -0.739 -8.477 8.297 1.00 0.00 H new ATOM 0 HG SER A 675 -2.321 -6.771 8.188 1.00 0.00 H new ATOM 436 N GLY A 676 -3.280 -7.239 5.057 1.00 0.00 N ATOM 437 CA GLY A 676 -4.558 -7.161 4.374 1.00 0.00 C ATOM 438 C GLY A 676 -4.511 -7.787 2.994 1.00 0.00 C ATOM 439 O GLY A 676 -5.362 -8.606 2.649 1.00 0.00 O ATOM 0 H GLY A 676 -2.756 -6.365 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -5.319 -7.662 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -4.858 -6.117 4.287 1.00 0.00 H new ATOM 443 N CYS A 677 -3.512 -7.412 2.204 1.00 0.00 N ATOM 444 CA CYS A 677 -3.359 -7.953 0.860 1.00 0.00 C ATOM 445 C CYS A 677 -2.126 -8.854 0.761 1.00 0.00 C ATOM 446 O CYS A 677 -1.946 -9.564 -0.228 1.00 0.00 O ATOM 447 CB CYS A 677 -3.263 -6.821 -0.164 1.00 0.00 C ATOM 448 SG CYS A 677 -1.865 -5.708 0.095 1.00 0.00 S ATOM 0 H CYS A 677 -2.797 -6.736 2.471 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.240 -8.556 0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -3.189 -7.254 -1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -4.185 -6.241 -0.136 1.00 0.00 H new ATOM 453 N ASN A 678 -1.279 -8.818 1.790 1.00 0.00 N ATOM 454 CA ASN A 678 -0.065 -9.629 1.815 1.00 0.00 C ATOM 455 C ASN A 678 0.853 -9.280 0.645 1.00 0.00 C ATOM 456 O ASN A 678 1.655 -10.104 0.207 1.00 0.00 O ATOM 457 CB ASN A 678 -0.420 -11.116 1.771 1.00 0.00 C ATOM 458 CG ASN A 678 -0.812 -11.657 3.131 1.00 0.00 C ATOM 459 OD1 ASN A 678 -1.964 -12.029 3.357 1.00 0.00 O ATOM 460 ND2 ASN A 678 0.147 -11.705 4.049 1.00 0.00 N ATOM 0 H ASN A 678 -1.413 -8.235 2.616 1.00 0.00 H new ATOM 0 HA ASN A 678 0.464 -9.414 2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 678 -1.241 -11.270 1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 678 0.432 -11.679 1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 678 -0.058 -12.060 4.983 1.00 0.00 H new ATOM 0 HD22 ASN A 678 1.089 -11.387 3.820 1.00 0.00 H new ATOM 467 N THR A 679 0.717 -8.061 0.132 1.00 0.00 N ATOM 468 CA THR A 679 1.524 -7.616 -1.000 1.00 0.00 C ATOM 469 C THR A 679 2.316 -6.352 -0.677 1.00 0.00 C ATOM 470 O THR A 679 3.453 -6.188 -1.121 1.00 0.00 O ATOM 471 CB THR A 679 0.625 -7.367 -2.213 1.00 0.00 C ATOM 472 OG1 THR A 679 -0.027 -8.561 -2.606 1.00 0.00 O ATOM 473 CG2 THR A 679 1.370 -6.832 -3.418 1.00 0.00 C ATOM 0 H THR A 679 0.058 -7.365 0.481 1.00 0.00 H new ATOM 0 HA THR A 679 2.240 -8.407 -1.224 1.00 0.00 H new ATOM 0 HB THR A 679 -0.091 -6.612 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 679 -0.611 -8.869 -1.881 1.00 0.00 H new ATOM 0 HG21 THR A 679 0.671 -6.679 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 679 1.842 -5.883 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 679 2.134 -7.548 -3.720 1.00 0.00 H new ATOM 481 N ALA A 680 1.703 -5.457 0.086 1.00 0.00 N ATOM 482 CA ALA A 680 2.341 -4.199 0.459 1.00 0.00 C ATOM 483 C ALA A 680 3.423 -4.404 1.515 1.00 0.00 C ATOM 484 O ALA A 680 3.383 -5.364 2.285 1.00 0.00 O ATOM 485 CB ALA A 680 1.300 -3.211 0.961 1.00 0.00 C ATOM 0 H ALA A 680 0.762 -5.578 0.460 1.00 0.00 H new ATOM 0 HA ALA A 680 2.821 -3.796 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 680 1.788 -2.276 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 680 0.570 -3.021 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 680 0.795 -3.627 1.833 1.00 0.00 H new ATOM 491 N ARG A 681 4.384 -3.486 1.545 1.00 0.00 N ATOM 492 CA ARG A 681 5.476 -3.549 2.508 1.00 0.00 C ATOM 493 C ARG A 681 5.778 -2.163 3.069 1.00 0.00 C ATOM 494 O ARG A 681 5.741 -1.169 2.344 1.00 0.00 O ATOM 495 CB ARG A 681 6.730 -4.122 1.846 1.00 0.00 C ATOM 496 CG ARG A 681 6.592 -5.579 1.436 1.00 0.00 C ATOM 497 CD ARG A 681 7.177 -6.509 2.486 1.00 0.00 C ATOM 498 NE ARG A 681 8.583 -6.811 2.226 1.00 0.00 N ATOM 499 CZ ARG A 681 9.227 -7.850 2.751 1.00 0.00 C ATOM 500 NH1 ARG A 681 8.598 -8.688 3.566 1.00 0.00 N ATOM 501 NH2 ARG A 681 10.506 -8.052 2.463 1.00 0.00 N ATOM 0 H ARG A 681 4.428 -2.688 0.911 1.00 0.00 H new ATOM 0 HA ARG A 681 5.173 -4.201 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 681 6.969 -3.527 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 681 7.570 -4.025 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 681 5.539 -5.817 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 681 7.097 -5.740 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 681 7.080 -6.051 3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 681 6.605 -7.436 2.508 1.00 0.00 H new ATOM 0 HE ARG A 681 9.101 -6.189 1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 681 7.615 -8.537 3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 681 9.098 -9.483 3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 681 10.996 -7.411 1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 681 11.000 -8.849 2.866 1.00 0.00 H new ATOM 515 N TYR A 682 6.082 -2.102 4.362 1.00 0.00 N ATOM 516 CA TYR A 682 6.395 -0.835 5.015 1.00 0.00 C ATOM 517 C TYR A 682 7.316 -1.061 6.210 1.00 0.00 C ATOM 518 O TYR A 682 7.251 -2.099 6.865 1.00 0.00 O ATOM 519 CB TYR A 682 5.110 -0.135 5.460 1.00 0.00 C ATOM 520 CG TYR A 682 4.231 0.299 4.308 1.00 0.00 C ATOM 521 CD1 TYR A 682 4.521 1.449 3.584 1.00 0.00 C ATOM 522 CD2 TYR A 682 3.115 -0.443 3.943 1.00 0.00 C ATOM 523 CE1 TYR A 682 3.721 1.848 2.529 1.00 0.00 C ATOM 524 CE2 TYR A 682 2.312 -0.051 2.888 1.00 0.00 C ATOM 525 CZ TYR A 682 2.619 1.094 2.186 1.00 0.00 C ATOM 526 OH TYR A 682 1.821 1.488 1.136 1.00 0.00 O ATOM 0 H TYR A 682 6.118 -2.914 4.978 1.00 0.00 H new ATOM 0 HA TYR A 682 6.911 -0.196 4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 682 4.544 -0.807 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 682 5.370 0.738 6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 682 5.385 2.040 3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 682 2.871 -1.340 4.492 1.00 0.00 H new ATOM 0 HE1 TYR A 682 3.958 2.745 1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 682 1.448 -0.639 2.616 1.00 0.00 H new ATOM 0 HH TYR A 682 1.088 0.848 1.024 1.00 0.00 H new ATOM 536 N CYS A 683 8.174 -0.088 6.492 1.00 0.00 N ATOM 537 CA CYS A 683 9.100 -0.197 7.612 1.00 0.00 C ATOM 538 C CYS A 683 8.503 0.401 8.886 1.00 0.00 C ATOM 539 O CYS A 683 8.970 0.113 9.989 1.00 0.00 O ATOM 540 CB CYS A 683 10.432 0.482 7.277 1.00 0.00 C ATOM 541 SG CYS A 683 10.348 2.285 7.173 1.00 0.00 S ATOM 0 H CYS A 683 8.248 0.781 5.963 1.00 0.00 H new ATOM 0 HA CYS A 683 9.282 -1.257 7.791 1.00 0.00 H new ATOM 0 HB2 CYS A 683 11.166 0.208 8.035 1.00 0.00 H new ATOM 0 HB3 CYS A 683 10.795 0.092 6.326 1.00 0.00 H new ATOM 546 N GLY A 684 7.475 1.234 8.735 1.00 0.00 N ATOM 547 CA GLY A 684 6.849 1.848 9.893 1.00 0.00 C ATOM 548 C GLY A 684 5.386 2.184 9.666 1.00 0.00 C ATOM 549 O GLY A 684 4.964 2.422 8.535 1.00 0.00 O ATOM 0 H GLY A 684 7.067 1.493 7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 684 6.934 1.174 10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 684 7.390 2.758 10.152 1.00 0.00 H new ATOM 553 N SER A 685 4.610 2.197 10.750 1.00 0.00 N ATOM 554 CA SER A 685 3.182 2.499 10.677 1.00 0.00 C ATOM 555 C SER A 685 2.921 3.810 9.935 1.00 0.00 C ATOM 556 O SER A 685 1.830 4.026 9.408 1.00 0.00 O ATOM 557 CB SER A 685 2.583 2.563 12.084 1.00 0.00 C ATOM 558 OG SER A 685 1.362 3.282 12.089 1.00 0.00 O ATOM 0 H SER A 685 4.949 2.001 11.692 1.00 0.00 H new ATOM 0 HA SER A 685 2.701 1.697 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 685 2.415 1.553 12.457 1.00 0.00 H new ATOM 0 HB3 SER A 685 3.291 3.039 12.762 1.00 0.00 H new ATOM 0 HG SER A 685 1.000 3.306 13.000 1.00 0.00 H new ATOM 564 N PHE A 686 3.923 4.682 9.891 1.00 0.00 N ATOM 565 CA PHE A 686 3.786 5.960 9.201 1.00 0.00 C ATOM 566 C PHE A 686 3.851 5.753 7.690 1.00 0.00 C ATOM 567 O PHE A 686 3.105 6.372 6.932 1.00 0.00 O ATOM 568 CB PHE A 686 4.885 6.928 9.649 1.00 0.00 C ATOM 569 CG PHE A 686 4.912 8.217 8.876 1.00 0.00 C ATOM 570 CD1 PHE A 686 5.573 8.296 7.660 1.00 0.00 C ATOM 571 CD2 PHE A 686 4.278 9.348 9.365 1.00 0.00 C ATOM 572 CE1 PHE A 686 5.600 9.479 6.946 1.00 0.00 C ATOM 573 CE2 PHE A 686 4.303 10.534 8.656 1.00 0.00 C ATOM 574 CZ PHE A 686 4.964 10.599 7.445 1.00 0.00 C ATOM 0 H PHE A 686 4.834 4.529 10.323 1.00 0.00 H new ATOM 0 HA PHE A 686 2.817 6.390 9.455 1.00 0.00 H new ATOM 0 HB2 PHE A 686 4.749 7.153 10.707 1.00 0.00 H new ATOM 0 HB3 PHE A 686 5.852 6.436 9.550 1.00 0.00 H new ATOM 0 HD1 PHE A 686 6.073 7.423 7.266 1.00 0.00 H new ATOM 0 HD2 PHE A 686 3.759 9.302 10.311 1.00 0.00 H new ATOM 0 HE1 PHE A 686 6.118 9.528 5.999 1.00 0.00 H new ATOM 0 HE2 PHE A 686 3.806 11.409 9.048 1.00 0.00 H new ATOM 0 HZ PHE A 686 4.984 11.525 6.889 1.00 0.00 H new ATOM 584 N CYS A 687 4.761 4.884 7.266 1.00 0.00 N ATOM 585 CA CYS A 687 4.949 4.592 5.849 1.00 0.00 C ATOM 586 C CYS A 687 3.708 3.954 5.238 1.00 0.00 C ATOM 587 O CYS A 687 3.274 4.338 4.151 1.00 0.00 O ATOM 588 CB CYS A 687 6.157 3.677 5.665 1.00 0.00 C ATOM 589 SG CYS A 687 7.620 4.215 6.580 1.00 0.00 S ATOM 0 H CYS A 687 5.384 4.367 7.887 1.00 0.00 H new ATOM 0 HA CYS A 687 5.124 5.535 5.331 1.00 0.00 H new ATOM 0 HB2 CYS A 687 5.890 2.669 5.983 1.00 0.00 H new ATOM 0 HB3 CYS A 687 6.402 3.622 4.604 1.00 0.00 H new ATOM 594 N GLN A 688 3.136 2.981 5.936 1.00 0.00 N ATOM 595 CA GLN A 688 1.944 2.299 5.448 1.00 0.00 C ATOM 596 C GLN A 688 0.788 3.282 5.300 1.00 0.00 C ATOM 597 O GLN A 688 0.070 3.262 4.301 1.00 0.00 O ATOM 598 CB GLN A 688 1.561 1.148 6.376 1.00 0.00 C ATOM 599 CG GLN A 688 1.555 1.521 7.848 1.00 0.00 C ATOM 600 CD GLN A 688 0.154 1.642 8.407 1.00 0.00 C ATOM 601 OE1 GLN A 688 -0.143 2.552 9.178 1.00 0.00 O ATOM 602 NE2 GLN A 688 -0.714 0.715 8.023 1.00 0.00 N ATOM 0 H GLN A 688 3.476 2.647 6.838 1.00 0.00 H new ATOM 0 HA GLN A 688 2.166 1.882 4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 688 0.571 0.785 6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 688 2.257 0.324 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 688 2.105 0.768 8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 688 2.080 2.467 7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 688 -0.422 -0.022 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 688 -1.673 0.739 8.370 1.00 0.00 H new ATOM 611 N HIS A 689 0.617 4.148 6.293 1.00 0.00 N ATOM 612 CA HIS A 689 -0.446 5.145 6.262 1.00 0.00 C ATOM 613 C HIS A 689 -0.185 6.195 5.184 1.00 0.00 C ATOM 614 O HIS A 689 -1.113 6.671 4.531 1.00 0.00 O ATOM 615 CB HIS A 689 -0.578 5.822 7.628 1.00 0.00 C ATOM 616 CG HIS A 689 -1.594 5.171 8.511 1.00 0.00 C ATOM 617 ND1 HIS A 689 -2.020 5.717 9.703 1.00 0.00 N ATOM 618 CD2 HIS A 689 -2.271 4.009 8.367 1.00 0.00 C ATOM 619 CE1 HIS A 689 -2.916 4.917 10.255 1.00 0.00 C ATOM 620 NE2 HIS A 689 -3.086 3.874 9.463 1.00 0.00 N ATOM 0 H HIS A 689 1.201 4.179 7.129 1.00 0.00 H new ATOM 0 HA HIS A 689 -1.379 4.634 6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 689 0.390 5.809 8.128 1.00 0.00 H new ATOM 0 HB3 HIS A 689 -0.848 6.868 7.484 1.00 0.00 H new ATOM 0 HD1 HIS A 689 -1.695 6.600 10.097 1.00 0.00 H new ATOM 0 HD2 HIS A 689 -2.186 3.316 7.543 1.00 0.00 H new ATOM 0 HE1 HIS A 689 -3.423 5.087 11.194 1.00 0.00 H new ATOM 629 N LYS A 690 1.083 6.552 5.008 1.00 0.00 N ATOM 630 CA LYS A 690 1.469 7.550 4.013 1.00 0.00 C ATOM 631 C LYS A 690 1.012 7.142 2.614 1.00 0.00 C ATOM 632 O LYS A 690 0.348 7.907 1.915 1.00 0.00 O ATOM 633 CB LYS A 690 2.988 7.739 4.025 1.00 0.00 C ATOM 634 CG LYS A 690 3.447 9.111 3.551 1.00 0.00 C ATOM 635 CD LYS A 690 2.846 9.476 2.200 1.00 0.00 C ATOM 636 CE LYS A 690 3.233 8.477 1.117 1.00 0.00 C ATOM 637 NZ LYS A 690 4.216 9.051 0.157 1.00 0.00 N ATOM 0 H LYS A 690 1.862 6.166 5.541 1.00 0.00 H new ATOM 0 HA LYS A 690 0.981 8.490 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 690 3.356 7.574 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 690 3.443 6.977 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 690 3.166 9.863 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 690 4.535 9.125 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 690 1.760 9.517 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 690 3.181 10.472 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 690 3.656 7.585 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 690 2.340 8.163 0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 690 4.029 8.678 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 690 4.127 10.087 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 690 5.179 8.789 0.449 1.00 0.00 H new ATOM 651 N ASP A 691 1.366 5.925 2.221 1.00 0.00 N ATOM 652 CA ASP A 691 0.986 5.410 0.910 1.00 0.00 C ATOM 653 C ASP A 691 -0.413 4.799 0.946 1.00 0.00 C ATOM 654 O ASP A 691 -0.976 4.462 -0.095 1.00 0.00 O ATOM 655 CB ASP A 691 1.996 4.365 0.433 1.00 0.00 C ATOM 656 CG ASP A 691 3.131 4.975 -0.365 1.00 0.00 C ATOM 657 OD1 ASP A 691 3.759 5.933 0.131 1.00 0.00 O ATOM 658 OD2 ASP A 691 3.393 4.495 -1.488 1.00 0.00 O ATOM 0 H ASP A 691 1.914 5.278 2.788 1.00 0.00 H new ATOM 0 HA ASP A 691 0.981 6.246 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 691 2.405 3.839 1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 691 1.484 3.623 -0.179 1.00 0.00 H new ATOM 663 N TRP A 692 -0.965 4.646 2.149 1.00 0.00 N ATOM 664 CA TRP A 692 -2.293 4.065 2.319 1.00 0.00 C ATOM 665 C TRP A 692 -3.299 4.647 1.328 1.00 0.00 C ATOM 666 O TRP A 692 -4.092 3.912 0.743 1.00 0.00 O ATOM 667 CB TRP A 692 -2.784 4.276 3.753 1.00 0.00 C ATOM 668 CG TRP A 692 -4.147 3.707 4.008 1.00 0.00 C ATOM 669 CD1 TRP A 692 -5.175 4.310 4.676 1.00 0.00 C ATOM 670 CD2 TRP A 692 -4.633 2.421 3.600 1.00 0.00 C ATOM 671 NE1 TRP A 692 -6.268 3.479 4.707 1.00 0.00 N ATOM 672 CE2 TRP A 692 -5.961 2.315 4.053 1.00 0.00 C ATOM 673 CE3 TRP A 692 -4.076 1.350 2.894 1.00 0.00 C ATOM 674 CZ2 TRP A 692 -6.739 1.182 3.824 1.00 0.00 C ATOM 675 CZ3 TRP A 692 -4.849 0.227 2.668 1.00 0.00 C ATOM 676 CH2 TRP A 692 -6.169 0.152 3.131 1.00 0.00 C ATOM 0 H TRP A 692 -0.511 4.917 3.021 1.00 0.00 H new ATOM 0 HA TRP A 692 -2.212 2.997 2.119 1.00 0.00 H new ATOM 0 HB2 TRP A 692 -2.074 3.820 4.443 1.00 0.00 H new ATOM 0 HB3 TRP A 692 -2.798 5.344 3.970 1.00 0.00 H new ATOM 0 HD1 TRP A 692 -5.134 5.296 5.115 1.00 0.00 H new ATOM 0 HE1 TRP A 692 -7.163 3.694 5.146 1.00 0.00 H new ATOM 0 HE3 TRP A 692 -3.060 1.400 2.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 692 -7.756 1.120 4.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 692 -4.428 -0.607 2.125 1.00 0.00 H new ATOM 0 HH2 TRP A 692 -6.748 -0.739 2.936 1.00 0.00 H new ATOM 687 N GLU A 693 -3.274 5.967 1.148 1.00 0.00 N ATOM 688 CA GLU A 693 -4.200 6.632 0.236 1.00 0.00 C ATOM 689 C GLU A 693 -4.163 5.997 -1.154 1.00 0.00 C ATOM 690 O GLU A 693 -5.202 5.807 -1.786 1.00 0.00 O ATOM 691 CB GLU A 693 -3.883 8.132 0.155 1.00 0.00 C ATOM 692 CG GLU A 693 -3.269 8.578 -1.166 1.00 0.00 C ATOM 693 CD GLU A 693 -2.969 10.063 -1.199 1.00 0.00 C ATOM 694 OE1 GLU A 693 -3.918 10.857 -1.370 1.00 0.00 O ATOM 695 OE2 GLU A 693 -1.785 10.433 -1.055 1.00 0.00 O ATOM 0 H GLU A 693 -2.624 6.595 1.621 1.00 0.00 H new ATOM 0 HA GLU A 693 -5.209 6.508 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -4.802 8.694 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -3.200 8.390 0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -2.348 8.021 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -3.950 8.331 -1.980 1.00 0.00 H new ATOM 702 N LYS A 694 -2.964 5.671 -1.624 1.00 0.00 N ATOM 703 CA LYS A 694 -2.800 5.059 -2.936 1.00 0.00 C ATOM 704 C LYS A 694 -2.933 3.540 -2.858 1.00 0.00 C ATOM 705 O LYS A 694 -3.630 2.925 -3.664 1.00 0.00 O ATOM 706 CB LYS A 694 -1.438 5.429 -3.527 1.00 0.00 C ATOM 707 CG LYS A 694 -1.319 6.895 -3.912 1.00 0.00 C ATOM 708 CD LYS A 694 0.134 7.304 -4.102 1.00 0.00 C ATOM 709 CE LYS A 694 0.937 7.118 -2.825 1.00 0.00 C ATOM 710 NZ LYS A 694 2.238 7.839 -2.877 1.00 0.00 N ATOM 0 H LYS A 694 -2.092 5.820 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 694 -3.590 5.440 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -0.660 5.188 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -1.255 4.815 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -1.873 7.077 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -1.774 7.514 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 694 0.578 6.711 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 694 0.182 8.347 -4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 694 0.356 7.478 -1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 694 1.117 6.056 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 2.755 7.687 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 2.803 7.478 -3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 2.066 8.856 -3.008 1.00 0.00 H new ATOM 724 N HIS A 695 -2.237 2.943 -1.896 1.00 0.00 N ATOM 725 CA HIS A 695 -2.251 1.494 -1.726 1.00 0.00 C ATOM 726 C HIS A 695 -3.662 0.948 -1.516 1.00 0.00 C ATOM 727 O HIS A 695 -4.023 -0.080 -2.090 1.00 0.00 O ATOM 728 CB HIS A 695 -1.364 1.090 -0.548 1.00 0.00 C ATOM 729 CG HIS A 695 -1.327 -0.388 -0.325 1.00 0.00 C ATOM 730 ND1 HIS A 695 -1.067 -1.304 -1.318 1.00 0.00 N ATOM 731 CD2 HIS A 695 -1.544 -1.109 0.803 1.00 0.00 C ATOM 732 CE1 HIS A 695 -1.135 -2.526 -0.779 1.00 0.00 C ATOM 733 NE2 HIS A 695 -1.422 -2.464 0.509 1.00 0.00 N ATOM 0 H HIS A 695 -1.656 3.441 -1.222 1.00 0.00 H new ATOM 0 HA HIS A 695 -1.862 1.061 -2.648 1.00 0.00 H new ATOM 0 HB2 HIS A 695 -0.350 1.451 -0.723 1.00 0.00 H new ATOM 0 HB3 HIS A 695 -1.725 1.580 0.356 1.00 0.00 H new ATOM 0 HD1 HIS A 695 -0.859 -1.089 -2.293 1.00 0.00 H new ATOM 0 HD2 HIS A 695 -1.775 -0.697 1.774 1.00 0.00 H new ATOM 0 HE1 HIS A 695 -0.976 -3.444 -1.325 1.00 0.00 H new ATOM 741 N HIS A 696 -4.453 1.616 -0.685 1.00 0.00 N ATOM 742 CA HIS A 696 -5.813 1.176 -0.392 1.00 0.00 C ATOM 743 C HIS A 696 -6.643 0.991 -1.659 1.00 0.00 C ATOM 744 O HIS A 696 -7.538 0.147 -1.694 1.00 0.00 O ATOM 745 CB HIS A 696 -6.512 2.106 0.607 1.00 0.00 C ATOM 746 CG HIS A 696 -6.974 3.415 0.050 1.00 0.00 C ATOM 747 ND1 HIS A 696 -7.874 3.529 -0.988 1.00 0.00 N ATOM 748 CD2 HIS A 696 -6.677 4.677 0.427 1.00 0.00 C ATOM 749 CE1 HIS A 696 -8.108 4.809 -1.222 1.00 0.00 C ATOM 750 NE2 HIS A 696 -7.393 5.524 -0.378 1.00 0.00 N ATOM 0 H HIS A 696 -4.175 2.469 -0.200 1.00 0.00 H new ATOM 0 HA HIS A 696 -5.729 0.197 0.080 1.00 0.00 H new ATOM 0 HB2 HIS A 696 -7.373 1.583 1.023 1.00 0.00 H new ATOM 0 HB3 HIS A 696 -5.829 2.303 1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 696 -6.000 4.966 1.217 1.00 0.00 H new ATOM 0 HE1 HIS A 696 -8.773 5.202 -1.977 1.00 0.00 H new ATOM 0 HE2 HIS A 696 -7.375 6.543 -0.331 1.00 0.00 H new ATOM 759 N HIS A 697 -6.339 1.750 -2.712 1.00 0.00 N ATOM 760 CA HIS A 697 -7.065 1.607 -3.970 1.00 0.00 C ATOM 761 C HIS A 697 -6.901 0.189 -4.512 1.00 0.00 C ATOM 762 O HIS A 697 -7.755 -0.308 -5.246 1.00 0.00 O ATOM 763 CB HIS A 697 -6.543 2.594 -5.021 1.00 0.00 C ATOM 764 CG HIS A 697 -6.644 4.037 -4.637 1.00 0.00 C ATOM 765 ND1 HIS A 697 -7.789 4.609 -4.126 1.00 0.00 N ATOM 766 CD2 HIS A 697 -5.732 5.034 -4.719 1.00 0.00 C ATOM 767 CE1 HIS A 697 -7.577 5.897 -3.912 1.00 0.00 C ATOM 768 NE2 HIS A 697 -6.337 6.179 -4.263 1.00 0.00 N ATOM 0 H HIS A 697 -5.606 2.459 -2.719 1.00 0.00 H new ATOM 0 HA HIS A 697 -8.116 1.815 -3.772 1.00 0.00 H new ATOM 0 HB2 HIS A 697 -5.499 2.361 -5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 697 -7.095 2.440 -5.948 1.00 0.00 H new ATOM 0 HD2 HIS A 697 -4.717 4.945 -5.077 1.00 0.00 H new ATOM 0 HE1 HIS A 697 -8.297 6.599 -3.517 1.00 0.00 H new ATOM 0 HE2 HIS A 697 -5.899 7.098 -4.205 1.00 0.00 H new ATOM 777 N ILE A 698 -5.784 -0.450 -4.165 1.00 0.00 N ATOM 778 CA ILE A 698 -5.497 -1.802 -4.639 1.00 0.00 C ATOM 779 C ILE A 698 -5.797 -2.850 -3.574 1.00 0.00 C ATOM 780 O ILE A 698 -6.489 -3.833 -3.838 1.00 0.00 O ATOM 781 CB ILE A 698 -4.022 -1.973 -5.079 1.00 0.00 C ATOM 782 CG1 ILE A 698 -3.371 -0.627 -5.422 1.00 0.00 C ATOM 783 CG2 ILE A 698 -3.936 -2.920 -6.266 1.00 0.00 C ATOM 784 CD1 ILE A 698 -2.096 -0.363 -4.651 1.00 0.00 C ATOM 0 H ILE A 698 -5.065 -0.054 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 698 -6.148 -1.950 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 698 -3.472 -2.399 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -3.154 -0.598 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -4.082 0.174 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -2.894 -3.033 -6.567 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -4.340 -3.893 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.512 -2.514 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -1.689 0.605 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -2.311 -0.360 -3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -1.369 -1.144 -4.872 1.00 0.00 H new ATOM 796 N CYS A 699 -5.258 -2.639 -2.375 1.00 0.00 N ATOM 797 CA CYS A 699 -5.439 -3.560 -1.251 1.00 0.00 C ATOM 798 C CYS A 699 -6.842 -4.162 -1.217 1.00 0.00 C ATOM 799 O CYS A 699 -7.794 -3.585 -1.742 1.00 0.00 O ATOM 800 CB CYS A 699 -5.162 -2.835 0.067 1.00 0.00 C ATOM 801 SG CYS A 699 -4.859 -3.939 1.466 1.00 0.00 S ATOM 0 H CYS A 699 -4.684 -1.826 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 699 -4.731 -4.378 -1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 699 -4.297 -2.185 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 699 -6.011 -2.193 0.302 1.00 0.00 H new ATOM 806 N GLY A 700 -6.954 -5.329 -0.589 1.00 0.00 N ATOM 807 CA GLY A 700 -8.235 -6.001 -0.487 1.00 0.00 C ATOM 808 C GLY A 700 -8.549 -6.841 -1.709 1.00 0.00 C ATOM 809 O GLY A 700 -9.711 -6.984 -2.091 1.00 0.00 O ATOM 0 H GLY A 700 -6.177 -5.822 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 700 -8.238 -6.637 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 700 -9.021 -5.259 -0.349 1.00 0.00 H new ATOM 813 N GLN A 701 -7.511 -7.397 -2.325 1.00 0.00 N ATOM 814 CA GLN A 701 -7.681 -8.228 -3.511 1.00 0.00 C ATOM 815 C GLN A 701 -6.389 -8.969 -3.845 1.00 0.00 C ATOM 816 O GLN A 701 -5.318 -8.367 -3.917 1.00 0.00 O ATOM 817 CB GLN A 701 -8.118 -7.369 -4.702 1.00 0.00 C ATOM 818 CG GLN A 701 -9.533 -7.662 -5.174 1.00 0.00 C ATOM 819 CD GLN A 701 -9.563 -8.438 -6.477 1.00 0.00 C ATOM 820 OE1 GLN A 701 -8.529 -8.894 -6.966 1.00 0.00 O ATOM 821 NE2 GLN A 701 -10.753 -8.589 -7.047 1.00 0.00 N ATOM 0 H GLN A 701 -6.543 -7.287 -2.022 1.00 0.00 H new ATOM 0 HA GLN A 701 -8.456 -8.966 -3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 701 -8.046 -6.317 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 701 -7.427 -7.530 -5.529 1.00 0.00 H new ATOM 0 HG2 GLN A 701 -10.059 -8.229 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 701 -10.071 -6.723 -5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 701 -11.584 -8.194 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 701 -10.836 -9.100 -7.926 1.00 0.00 H new ATOM 830 N THR A 702 -6.500 -10.278 -4.045 1.00 0.00 N ATOM 831 CA THR A 702 -5.341 -11.102 -4.371 1.00 0.00 C ATOM 832 C THR A 702 -4.687 -10.632 -5.666 1.00 0.00 C ATOM 833 O THR A 702 -5.316 -9.958 -6.482 1.00 0.00 O ATOM 834 CB THR A 702 -5.751 -12.570 -4.496 1.00 0.00 C ATOM 835 OG1 THR A 702 -6.867 -12.707 -5.357 1.00 0.00 O ATOM 836 CG2 THR A 702 -6.113 -13.205 -3.171 1.00 0.00 C ATOM 0 H THR A 702 -7.380 -10.791 -3.987 1.00 0.00 H new ATOM 0 HA THR A 702 -4.617 -11.003 -3.562 1.00 0.00 H new ATOM 0 HB THR A 702 -4.876 -13.081 -4.898 1.00 0.00 H new ATOM 0 HG1 THR A 702 -7.113 -13.653 -5.426 1.00 0.00 H new ATOM 0 HG21 THR A 702 -6.394 -14.246 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 702 -5.256 -13.160 -2.500 1.00 0.00 H new ATOM 0 HG23 THR A 702 -6.950 -12.667 -2.727 1.00 0.00 H new ATOM 844 N LEU A 703 -3.420 -10.993 -5.848 1.00 0.00 N ATOM 845 CA LEU A 703 -2.680 -10.609 -7.044 1.00 0.00 C ATOM 846 C LEU A 703 -1.603 -11.638 -7.372 1.00 0.00 C ATOM 847 O LEU A 703 -0.724 -11.914 -6.555 1.00 0.00 O ATOM 848 CB LEU A 703 -2.048 -9.227 -6.855 1.00 0.00 C ATOM 849 CG LEU A 703 -2.442 -8.186 -7.904 1.00 0.00 C ATOM 850 CD1 LEU A 703 -2.245 -6.779 -7.360 1.00 0.00 C ATOM 851 CD2 LEU A 703 -1.636 -8.384 -9.179 1.00 0.00 C ATOM 0 H LEU A 703 -2.885 -11.551 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 703 -3.380 -10.568 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 703 -2.323 -8.850 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 703 -0.964 -9.336 -6.863 1.00 0.00 H new ATOM 0 HG LEU A 703 -3.498 -8.317 -8.140 1.00 0.00 H new ATOM 0 HD11 LEU A 703 -2.530 -6.052 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 703 -2.866 -6.641 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 703 -1.198 -6.635 -7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 703 -1.929 -7.635 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 703 -0.574 -8.279 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 703 -1.827 -9.380 -9.579 1.00 0.00 H new ATOM 863 N GLN A 704 -1.679 -12.204 -8.572 1.00 0.00 N ATOM 864 CA GLN A 704 -0.710 -13.204 -9.008 1.00 0.00 C ATOM 865 C GLN A 704 0.352 -12.577 -9.906 1.00 0.00 C ATOM 866 O GLN A 704 0.826 -13.204 -10.854 1.00 0.00 O ATOM 867 CB GLN A 704 -1.417 -14.339 -9.749 1.00 0.00 C ATOM 868 CG GLN A 704 -2.399 -15.113 -8.885 1.00 0.00 C ATOM 869 CD GLN A 704 -3.783 -15.193 -9.501 1.00 0.00 C ATOM 870 OE1 GLN A 704 -4.268 -16.276 -9.827 1.00 0.00 O ATOM 871 NE2 GLN A 704 -4.426 -14.042 -9.662 1.00 0.00 N ATOM 0 H GLN A 704 -2.401 -11.988 -9.260 1.00 0.00 H new ATOM 0 HA GLN A 704 -0.218 -13.608 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 704 -1.948 -13.926 -10.607 1.00 0.00 H new ATOM 0 HB3 GLN A 704 -0.668 -15.028 -10.139 1.00 0.00 H new ATOM 0 HG2 GLN A 704 -2.018 -16.122 -8.724 1.00 0.00 H new ATOM 0 HG3 GLN A 704 -2.468 -14.638 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 704 -3.985 -13.167 -9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 704 -5.361 -14.033 -10.070 1.00 0.00 H new ATOM 880 N ALA A 705 0.721 -11.337 -9.600 1.00 0.00 N ATOM 881 CA ALA A 705 1.728 -10.627 -10.379 1.00 0.00 C ATOM 882 C ALA A 705 2.220 -9.386 -9.640 1.00 0.00 C ATOM 883 O ALA A 705 1.487 -8.792 -8.848 1.00 0.00 O ATOM 884 CB ALA A 705 1.167 -10.243 -11.740 1.00 0.00 C ATOM 0 H ALA A 705 0.338 -10.804 -8.819 1.00 0.00 H new ATOM 0 HA ALA A 705 2.578 -11.294 -10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 705 1.929 -9.713 -12.311 1.00 0.00 H new ATOM 0 HB2 ALA A 705 0.870 -11.143 -12.278 1.00 0.00 H new ATOM 0 HB3 ALA A 705 0.299 -9.597 -11.607 1.00 0.00 H new ATOM 890 N GLN A 706 3.464 -9.002 -9.903 1.00 0.00 N ATOM 891 CA GLN A 706 4.054 -7.832 -9.263 1.00 0.00 C ATOM 892 C GLN A 706 5.380 -7.462 -9.922 1.00 0.00 C ATOM 893 O GLN A 706 5.640 -6.292 -10.202 1.00 0.00 O ATOM 894 CB GLN A 706 4.268 -8.095 -7.771 1.00 0.00 C ATOM 895 CG GLN A 706 4.346 -6.827 -6.935 1.00 0.00 C ATOM 896 CD GLN A 706 4.926 -7.073 -5.556 1.00 0.00 C ATOM 897 OE1 GLN A 706 5.043 -8.215 -5.114 1.00 0.00 O ATOM 898 NE2 GLN A 706 5.291 -5.997 -4.868 1.00 0.00 N ATOM 0 H GLN A 706 4.083 -9.484 -10.555 1.00 0.00 H new ATOM 0 HA GLN A 706 3.364 -6.996 -9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 706 3.453 -8.716 -7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 706 5.188 -8.664 -7.639 1.00 0.00 H new ATOM 0 HG2 GLN A 706 4.957 -6.090 -7.456 1.00 0.00 H new ATOM 0 HG3 GLN A 706 3.348 -6.400 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 706 5.176 -5.069 -5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 706 5.687 -6.099 -3.933 1.00 0.00 H new ATOM 907 N GLN A 707 6.213 -8.468 -10.167 1.00 0.00 N ATOM 908 CA GLN A 707 7.511 -8.248 -10.793 1.00 0.00 C ATOM 909 C GLN A 707 7.374 -8.152 -12.310 1.00 0.00 C ATOM 910 O GLN A 707 6.233 -8.258 -12.806 1.00 0.00 O ATOM 911 CB GLN A 707 8.476 -9.379 -10.425 1.00 0.00 C ATOM 912 CG GLN A 707 9.383 -9.046 -9.253 1.00 0.00 C ATOM 913 CD GLN A 707 10.471 -10.081 -9.045 1.00 0.00 C ATOM 914 OE1 GLN A 707 10.290 -11.050 -8.308 1.00 0.00 O ATOM 915 NE2 GLN A 707 11.611 -9.882 -9.698 1.00 0.00 N ATOM 916 OXT GLN A 707 8.408 -7.970 -12.986 1.00 0.00 O ATOM 0 H GLN A 707 6.012 -9.442 -9.942 1.00 0.00 H new ATOM 0 HA GLN A 707 7.911 -7.304 -10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 707 7.900 -10.273 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 707 9.090 -9.618 -11.293 1.00 0.00 H new ATOM 0 HG2 GLN A 707 9.841 -8.071 -9.419 1.00 0.00 H new ATOM 0 HG3 GLN A 707 8.784 -8.967 -8.346 1.00 0.00 H new ATOM 0 HE21 GLN A 707 11.719 -9.065 -10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 707 12.379 -10.546 -9.598 1.00 0.00 H new TER 925 GLN A 707 HETATM 926 ZN ZN A 1 9.348 3.300 5.344 1.00 0.00 ZN HETATM 927 ZN ZN A 2 -2.533 -3.899 1.410 1.00 0.00 ZN