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 696 HIS : no HD1:sc= -11.4! C(o=-17!,f=-13!) USER MOD Set 1.2: A 697 HIS : no HD1:sc= -5.77! C(o=-17!,f=-14!) USER MOD Set 2.1: A 665 ASN : amide:sc= -3.26 X(o=-3.3,f=-3.5!) USER MOD Set 2.2: A 690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 689 HIS : no HE2:sc= -1.13 X(o=-1.2,f=-1.4) USER MOD Set 3.2: B1104 ASN : amide:sc= -0.0612 X(o=-1.2,f=-1.5) USER MOD Single : A 659 SER OG : rot 180:sc= 0 USER MOD Single : A 660 SER OG : rot 180:sc= 0.00447 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 82:sc= -1.44 USER MOD Single : A 675 SER OG : rot -90:sc= 0.935 USER MOD Single : A 678 ASN : amide:sc= -0.739 X(o=-0.74,f=-0.65) USER MOD Single : A 679 THR OG1 : rot 63:sc= 0.0516 USER MOD Single : A 682 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 685 SER OG : rot 180:sc= 0 USER MOD Single : A 688 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.67) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 701 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 702 THR OG1 : rot 180:sc= 0 USER MOD Single : A 704 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.1!) USER MOD Single : A 706 GLN : amide:sc=-0.00248 X(o=-0.0025,f=0) USER MOD Single : A 707 GLN : amide:sc= -0.827 K(o=-0.83,f=-3.1!) USER MOD Single : B1101 THR OG1 : rot -30:sc= 0.319 USER MOD Single : B1103 SER OG : rot 180:sc= 0 USER MOD Single : B1110 SER OG : rot 180:sc= 0.0693 USER MOD Single : B1111 SER OG : rot 19:sc= 1.45 USER MOD Single : B1113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR B1101 -9.818 12.461 5.842 1.00 0.00 N ATOM 2 CA THR B1101 -8.924 11.328 6.196 1.00 0.00 C ATOM 3 C THR B1101 -9.490 10.002 5.697 1.00 0.00 C ATOM 4 O THR B1101 -10.669 9.907 5.360 1.00 0.00 O ATOM 5 CB THR B1101 -8.762 11.294 7.718 1.00 0.00 C ATOM 6 OG1 THR B1101 -10.019 11.408 8.358 1.00 0.00 O ATOM 7 CG2 THR B1101 -7.872 12.397 8.248 1.00 0.00 C ATOM 0 HA THR B1101 -7.956 11.472 5.717 1.00 0.00 H new ATOM 0 HB THR B1101 -8.294 10.335 7.939 1.00 0.00 H new ATOM 0 HG1 THR B1101 -10.623 11.940 7.800 1.00 0.00 H new ATOM 0 HG21 THR B1101 -7.799 12.316 9.333 1.00 0.00 H new ATOM 0 HG22 THR B1101 -6.878 12.305 7.810 1.00 0.00 H new ATOM 0 HG23 THR B1101 -8.297 13.366 7.984 1.00 0.00 H new ATOM 15 N ILE B1102 -8.639 8.982 5.650 1.00 0.00 N ATOM 16 CA ILE B1102 -9.053 7.662 5.190 1.00 0.00 C ATOM 17 C ILE B1102 -9.146 6.678 6.351 1.00 0.00 C ATOM 18 O ILE B1102 -8.558 6.897 7.411 1.00 0.00 O ATOM 19 CB ILE B1102 -8.079 7.101 4.135 1.00 0.00 C ATOM 20 CG1 ILE B1102 -7.767 8.163 3.079 1.00 0.00 C ATOM 21 CG2 ILE B1102 -8.662 5.856 3.485 1.00 0.00 C ATOM 22 CD1 ILE B1102 -6.565 7.827 2.222 1.00 0.00 C ATOM 0 H ILE B1102 -7.659 9.045 5.925 1.00 0.00 H new ATOM 0 HA ILE B1102 -10.038 7.782 4.738 1.00 0.00 H new ATOM 0 HB ILE B1102 -7.149 6.826 4.632 1.00 0.00 H new ATOM 0 HG12 ILE B1102 -8.638 8.291 2.436 1.00 0.00 H new ATOM 0 HG13 ILE B1102 -7.594 9.118 3.575 1.00 0.00 H new ATOM 0 HG21 ILE B1102 -7.963 5.472 2.742 1.00 0.00 H new ATOM 0 HG22 ILE B1102 -8.837 5.096 4.246 1.00 0.00 H new ATOM 0 HG23 ILE B1102 -9.605 6.107 2.999 1.00 0.00 H new ATOM 0 HD11 ILE B1102 -6.402 8.623 1.495 1.00 0.00 H new ATOM 0 HD12 ILE B1102 -5.683 7.728 2.855 1.00 0.00 H new ATOM 0 HD13 ILE B1102 -6.743 6.888 1.698 1.00 0.00 H new ATOM 34 N SER B1103 -9.887 5.594 6.145 1.00 0.00 N ATOM 35 CA SER B1103 -10.056 4.575 7.176 1.00 0.00 C ATOM 36 C SER B1103 -8.708 4.012 7.614 1.00 0.00 C ATOM 37 O SER B1103 -7.675 4.312 7.015 1.00 0.00 O ATOM 38 CB SER B1103 -10.952 3.445 6.663 1.00 0.00 C ATOM 39 OG SER B1103 -12.188 3.949 6.188 1.00 0.00 O ATOM 0 H SER B1103 -10.380 5.398 5.274 1.00 0.00 H new ATOM 0 HA SER B1103 -10.530 5.043 8.039 1.00 0.00 H new ATOM 0 HB2 SER B1103 -10.443 2.908 5.862 1.00 0.00 H new ATOM 0 HB3 SER B1103 -11.132 2.728 7.464 1.00 0.00 H new ATOM 0 HG SER B1103 -12.741 3.207 5.864 1.00 0.00 H new ATOM 45 N ASN B1104 -8.725 3.195 8.662 1.00 0.00 N ATOM 46 CA ASN B1104 -7.503 2.591 9.182 1.00 0.00 C ATOM 47 C ASN B1104 -7.186 1.287 8.448 1.00 0.00 C ATOM 48 O ASN B1104 -7.938 0.318 8.540 1.00 0.00 O ATOM 49 CB ASN B1104 -7.644 2.325 10.682 1.00 0.00 C ATOM 50 CG ASN B1104 -6.907 3.349 11.523 1.00 0.00 C ATOM 51 OD1 ASN B1104 -5.750 3.673 11.254 1.00 0.00 O ATOM 52 ND2 ASN B1104 -7.575 3.866 12.547 1.00 0.00 N ATOM 0 H ASN B1104 -9.572 2.936 9.168 1.00 0.00 H new ATOM 0 HA ASN B1104 -6.681 3.288 9.018 1.00 0.00 H new ATOM 0 HB2 ASN B1104 -8.700 2.330 10.951 1.00 0.00 H new ATOM 0 HB3 ASN B1104 -7.262 1.330 10.909 1.00 0.00 H new ATOM 0 HD21 ASN B1104 -7.131 4.561 13.147 1.00 0.00 H new ATOM 0 HD22 ASN B1104 -8.533 3.569 12.734 1.00 0.00 H new ATOM 59 N PRO B1105 -6.063 1.244 7.706 1.00 0.00 N ATOM 60 CA PRO B1105 -5.659 0.048 6.960 1.00 0.00 C ATOM 61 C PRO B1105 -5.281 -1.112 7.875 1.00 0.00 C ATOM 62 O PRO B1105 -4.982 -0.914 9.052 1.00 0.00 O ATOM 63 CB PRO B1105 -4.436 0.509 6.164 1.00 0.00 C ATOM 64 CG PRO B1105 -3.910 1.685 6.912 1.00 0.00 C ATOM 65 CD PRO B1105 -5.104 2.352 7.534 1.00 0.00 C ATOM 0 HA PRO B1105 -6.473 -0.328 6.339 1.00 0.00 H new ATOM 0 HB2 PRO B1105 -3.689 -0.282 6.095 1.00 0.00 H new ATOM 0 HB3 PRO B1105 -4.708 0.780 5.144 1.00 0.00 H new ATOM 0 HG2 PRO B1105 -3.196 1.374 7.675 1.00 0.00 H new ATOM 0 HG3 PRO B1105 -3.386 2.369 6.244 1.00 0.00 H new ATOM 0 HD2 PRO B1105 -4.853 2.818 8.487 1.00 0.00 H new ATOM 0 HD3 PRO B1105 -5.506 3.136 6.892 1.00 0.00 H new ATOM 73 N PRO B1106 -5.281 -2.344 7.338 1.00 0.00 N ATOM 74 CA PRO B1106 -4.929 -3.541 8.107 1.00 0.00 C ATOM 75 C PRO B1106 -3.556 -3.413 8.761 1.00 0.00 C ATOM 76 O PRO B1106 -2.761 -2.552 8.386 1.00 0.00 O ATOM 77 CB PRO B1106 -4.922 -4.655 7.056 1.00 0.00 C ATOM 78 CG PRO B1106 -5.804 -4.154 5.965 1.00 0.00 C ATOM 79 CD PRO B1106 -5.618 -2.665 5.939 1.00 0.00 C ATOM 0 HA PRO B1106 -5.624 -3.722 8.926 1.00 0.00 H new ATOM 0 HB2 PRO B1106 -3.913 -4.849 6.692 1.00 0.00 H new ATOM 0 HB3 PRO B1106 -5.297 -5.591 7.469 1.00 0.00 H new ATOM 0 HG2 PRO B1106 -5.532 -4.599 5.008 1.00 0.00 H new ATOM 0 HG3 PRO B1106 -6.845 -4.415 6.154 1.00 0.00 H new ATOM 0 HD2 PRO B1106 -4.822 -2.370 5.255 1.00 0.00 H new ATOM 0 HD3 PRO B1106 -6.523 -2.152 5.615 1.00 0.00 H new ATOM 87 N PRO B1107 -3.258 -4.267 9.754 1.00 0.00 N ATOM 88 CA PRO B1107 -1.973 -4.236 10.458 1.00 0.00 C ATOM 89 C PRO B1107 -0.822 -4.742 9.596 1.00 0.00 C ATOM 90 O PRO B1107 -1.037 -5.375 8.562 1.00 0.00 O ATOM 91 CB PRO B1107 -2.200 -5.165 11.650 1.00 0.00 C ATOM 92 CG PRO B1107 -3.257 -6.111 11.195 1.00 0.00 C ATOM 93 CD PRO B1107 -4.148 -5.325 10.271 1.00 0.00 C ATOM 0 HA PRO B1107 -1.688 -3.222 10.738 1.00 0.00 H new ATOM 0 HB2 PRO B1107 -1.286 -5.693 11.921 1.00 0.00 H new ATOM 0 HB3 PRO B1107 -2.519 -4.608 12.531 1.00 0.00 H new ATOM 0 HG2 PRO B1107 -2.820 -6.967 10.681 1.00 0.00 H new ATOM 0 HG3 PRO B1107 -3.821 -6.502 12.042 1.00 0.00 H new ATOM 0 HD2 PRO B1107 -4.542 -5.947 9.467 1.00 0.00 H new ATOM 0 HD3 PRO B1107 -5.005 -4.907 10.799 1.00 0.00 H new ATOM 101 N LEU B1108 0.400 -4.458 10.031 1.00 0.00 N ATOM 102 CA LEU B1108 1.588 -4.884 9.300 1.00 0.00 C ATOM 103 C LEU B1108 2.199 -6.133 9.928 1.00 0.00 C ATOM 104 O LEU B1108 2.123 -6.331 11.141 1.00 0.00 O ATOM 105 CB LEU B1108 2.623 -3.758 9.267 1.00 0.00 C ATOM 106 CG LEU B1108 2.070 -2.380 8.903 1.00 0.00 C ATOM 107 CD1 LEU B1108 3.064 -1.291 9.274 1.00 0.00 C ATOM 108 CD2 LEU B1108 1.735 -2.316 7.420 1.00 0.00 C ATOM 0 H LEU B1108 0.594 -3.935 10.885 1.00 0.00 H new ATOM 0 HA LEU B1108 1.288 -5.124 8.280 1.00 0.00 H new ATOM 0 HB2 LEU B1108 3.099 -3.694 10.245 1.00 0.00 H new ATOM 0 HB3 LEU B1108 3.401 -4.021 8.550 1.00 0.00 H new ATOM 0 HG LEU B1108 1.154 -2.215 9.470 1.00 0.00 H new ATOM 0 HD11 LEU B1108 2.653 -0.317 9.008 1.00 0.00 H new ATOM 0 HD12 LEU B1108 3.255 -1.323 10.347 1.00 0.00 H new ATOM 0 HD13 LEU B1108 3.997 -1.451 8.734 1.00 0.00 H new ATOM 0 HD21 LEU B1108 1.343 -1.328 7.178 1.00 0.00 H new ATOM 0 HD22 LEU B1108 2.636 -2.502 6.835 1.00 0.00 H new ATOM 0 HD23 LEU B1108 0.986 -3.072 7.183 1.00 0.00 H new ATOM 120 N ILE B1109 2.809 -6.969 9.095 1.00 0.00 N ATOM 121 CA ILE B1109 3.441 -8.197 9.565 1.00 0.00 C ATOM 122 C ILE B1109 4.946 -8.156 9.325 1.00 0.00 C ATOM 123 O ILE B1109 5.397 -7.977 8.194 1.00 0.00 O ATOM 124 CB ILE B1109 2.850 -9.451 8.881 1.00 0.00 C ATOM 125 CG1 ILE B1109 2.336 -9.119 7.481 1.00 0.00 C ATOM 126 CG2 ILE B1109 1.731 -10.036 9.727 1.00 0.00 C ATOM 127 CD1 ILE B1109 2.245 -10.323 6.569 1.00 0.00 C ATOM 0 H ILE B1109 2.879 -6.818 8.089 1.00 0.00 H new ATOM 0 HA ILE B1109 3.242 -8.264 10.635 1.00 0.00 H new ATOM 0 HB ILE B1109 3.644 -10.191 8.786 1.00 0.00 H new ATOM 0 HG12 ILE B1109 1.350 -8.661 7.564 1.00 0.00 H new ATOM 0 HG13 ILE B1109 2.995 -8.379 7.027 1.00 0.00 H new ATOM 0 HG21 ILE B1109 1.324 -10.918 9.233 1.00 0.00 H new ATOM 0 HG22 ILE B1109 2.123 -10.316 10.705 1.00 0.00 H new ATOM 0 HG23 ILE B1109 0.942 -9.294 9.851 1.00 0.00 H new ATOM 0 HD11 ILE B1109 1.873 -10.013 5.593 1.00 0.00 H new ATOM 0 HD12 ILE B1109 3.233 -10.769 6.456 1.00 0.00 H new ATOM 0 HD13 ILE B1109 1.563 -11.056 7.001 1.00 0.00 H new ATOM 139 N SER B1110 5.718 -8.322 10.393 1.00 0.00 N ATOM 140 CA SER B1110 7.173 -8.301 10.291 1.00 0.00 C ATOM 141 C SER B1110 7.711 -9.664 9.872 1.00 0.00 C ATOM 142 O SER B1110 7.347 -10.690 10.448 1.00 0.00 O ATOM 143 CB SER B1110 7.794 -7.883 11.626 1.00 0.00 C ATOM 144 OG SER B1110 6.956 -8.236 12.712 1.00 0.00 O ATOM 0 H SER B1110 5.362 -8.472 11.337 1.00 0.00 H new ATOM 0 HA SER B1110 7.446 -7.573 9.527 1.00 0.00 H new ATOM 0 HB2 SER B1110 8.767 -8.361 11.743 1.00 0.00 H new ATOM 0 HB3 SER B1110 7.965 -6.806 11.630 1.00 0.00 H new ATOM 0 HG SER B1110 7.376 -7.960 13.553 1.00 0.00 H new ATOM 150 N SER B1111 8.577 -9.668 8.865 1.00 0.00 N ATOM 151 CA SER B1111 9.166 -10.906 8.368 1.00 0.00 C ATOM 152 C SER B1111 10.689 -10.840 8.406 1.00 0.00 C ATOM 153 O SER B1111 11.303 -10.048 7.692 1.00 0.00 O ATOM 154 CB SER B1111 8.691 -11.184 6.940 1.00 0.00 C ATOM 155 OG SER B1111 9.258 -10.262 6.025 1.00 0.00 O ATOM 0 H SER B1111 8.887 -8.828 8.377 1.00 0.00 H new ATOM 0 HA SER B1111 8.841 -11.719 9.017 1.00 0.00 H new ATOM 0 HB2 SER B1111 8.964 -12.200 6.654 1.00 0.00 H new ATOM 0 HB3 SER B1111 7.604 -11.122 6.897 1.00 0.00 H new ATOM 0 HG SER B1111 10.043 -9.839 6.431 1.00 0.00 H new ATOM 161 N ALA B1112 11.291 -11.674 9.247 1.00 0.00 N ATOM 162 CA ALA B1112 12.744 -11.709 9.379 1.00 0.00 C ATOM 163 C ALA B1112 13.203 -12.994 10.058 1.00 0.00 C ATOM 164 O ALA B1112 13.040 -13.163 11.266 1.00 0.00 O ATOM 165 CB ALA B1112 13.230 -10.496 10.158 1.00 0.00 C ATOM 0 H ALA B1112 10.797 -12.334 9.847 1.00 0.00 H new ATOM 0 HA ALA B1112 13.177 -11.684 8.379 1.00 0.00 H new ATOM 0 HB1 ALA B1112 14.315 -10.534 10.250 1.00 0.00 H new ATOM 0 HB2 ALA B1112 12.942 -9.586 9.632 1.00 0.00 H new ATOM 0 HB3 ALA B1112 12.782 -10.498 11.151 1.00 0.00 H new ATOM 171 N LYS B1113 13.779 -13.898 9.273 1.00 0.00 N ATOM 172 CA LYS B1113 14.263 -15.170 9.798 1.00 0.00 C ATOM 173 C LYS B1113 15.677 -15.026 10.350 1.00 0.00 C ATOM 174 O LYS B1113 16.462 -14.206 9.872 1.00 0.00 O ATOM 175 CB LYS B1113 14.236 -16.241 8.705 1.00 0.00 C ATOM 176 CG LYS B1113 12.861 -16.851 8.487 1.00 0.00 C ATOM 177 CD LYS B1113 12.855 -17.796 7.296 1.00 0.00 C ATOM 178 CE LYS B1113 11.516 -17.776 6.577 1.00 0.00 C ATOM 179 NZ LYS B1113 11.199 -19.091 5.955 1.00 0.00 N ATOM 0 H LYS B1113 13.922 -13.774 8.271 1.00 0.00 H new ATOM 0 HA LYS B1113 13.603 -15.474 10.611 1.00 0.00 H new ATOM 0 HB2 LYS B1113 14.583 -15.802 7.769 1.00 0.00 H new ATOM 0 HB3 LYS B1113 14.939 -17.033 8.966 1.00 0.00 H new ATOM 0 HG2 LYS B1113 12.555 -17.391 9.383 1.00 0.00 H new ATOM 0 HG3 LYS B1113 12.131 -16.058 8.327 1.00 0.00 H new ATOM 0 HD2 LYS B1113 13.646 -17.513 6.602 1.00 0.00 H new ATOM 0 HD3 LYS B1113 13.073 -18.809 7.633 1.00 0.00 H new ATOM 0 HE2 LYS B1113 10.729 -17.509 7.283 1.00 0.00 H new ATOM 0 HE3 LYS B1113 11.529 -17.004 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS B1113 10.278 -19.035 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS B1113 11.936 -19.334 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS B1113 11.161 -19.824 6.692 1.00 0.00 H new TER 193 LYS B1113 ATOM 194 N ASP A 658 6.669 -14.307 -3.415 1.00 0.00 N ATOM 195 CA ASP A 658 7.960 -13.752 -3.024 1.00 0.00 C ATOM 196 C ASP A 658 8.099 -12.308 -3.500 1.00 0.00 C ATOM 197 O ASP A 658 7.961 -12.020 -4.690 1.00 0.00 O ATOM 198 CB ASP A 658 9.098 -14.603 -3.593 1.00 0.00 C ATOM 199 CG ASP A 658 10.078 -15.047 -2.525 1.00 0.00 C ATOM 200 OD1 ASP A 658 10.908 -14.217 -2.099 1.00 0.00 O ATOM 201 OD2 ASP A 658 10.015 -16.225 -2.115 1.00 0.00 O ATOM 0 HA ASP A 658 8.018 -13.763 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 658 8.680 -15.481 -4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 658 9.629 -14.032 -4.355 1.00 0.00 H new ATOM 206 N SER A 659 8.372 -11.406 -2.564 1.00 0.00 N ATOM 207 CA SER A 659 8.532 -9.993 -2.886 1.00 0.00 C ATOM 208 C SER A 659 9.888 -9.479 -2.412 1.00 0.00 C ATOM 209 O SER A 659 10.515 -10.072 -1.534 1.00 0.00 O ATOM 210 CB SER A 659 7.411 -9.171 -2.245 1.00 0.00 C ATOM 211 OG SER A 659 7.355 -7.867 -2.797 1.00 0.00 O ATOM 0 H SER A 659 8.487 -11.628 -1.575 1.00 0.00 H new ATOM 0 HA SER A 659 8.479 -9.884 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 659 6.456 -9.674 -2.395 1.00 0.00 H new ATOM 0 HB3 SER A 659 7.572 -9.107 -1.169 1.00 0.00 H new ATOM 0 HG SER A 659 6.630 -7.363 -2.372 1.00 0.00 H new ATOM 217 N SER A 660 10.337 -8.375 -3.001 1.00 0.00 N ATOM 218 CA SER A 660 11.620 -7.785 -2.638 1.00 0.00 C ATOM 219 C SER A 660 11.520 -7.031 -1.317 1.00 0.00 C ATOM 220 O SER A 660 10.455 -6.977 -0.700 1.00 0.00 O ATOM 221 CB SER A 660 12.100 -6.840 -3.742 1.00 0.00 C ATOM 222 OG SER A 660 13.513 -6.731 -3.742 1.00 0.00 O ATOM 0 H SER A 660 9.832 -7.872 -3.731 1.00 0.00 H new ATOM 0 HA SER A 660 12.342 -8.593 -2.520 1.00 0.00 H new ATOM 0 HB2 SER A 660 11.760 -7.206 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 660 11.656 -5.855 -3.600 1.00 0.00 H new ATOM 0 HG SER A 660 13.794 -6.123 -4.457 1.00 0.00 H new ATOM 228 N GLU A 661 12.635 -6.450 -0.888 1.00 0.00 N ATOM 229 CA GLU A 661 12.675 -5.699 0.362 1.00 0.00 C ATOM 230 C GLU A 661 12.823 -4.205 0.094 1.00 0.00 C ATOM 231 O GLU A 661 13.929 -3.711 -0.128 1.00 0.00 O ATOM 232 CB GLU A 661 13.829 -6.188 1.238 1.00 0.00 C ATOM 233 CG GLU A 661 13.504 -6.202 2.722 1.00 0.00 C ATOM 234 CD GLU A 661 14.723 -6.462 3.584 1.00 0.00 C ATOM 235 OE1 GLU A 661 15.101 -7.643 3.738 1.00 0.00 O ATOM 236 OE2 GLU A 661 15.302 -5.486 4.104 1.00 0.00 O ATOM 0 H GLU A 661 13.524 -6.485 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 661 11.734 -5.865 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 661 14.109 -7.194 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 661 14.697 -5.550 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 661 13.063 -5.246 3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 661 12.755 -6.969 2.919 1.00 0.00 H new ATOM 243 N SER A 662 11.703 -3.490 0.116 1.00 0.00 N ATOM 244 CA SER A 662 11.710 -2.052 -0.123 1.00 0.00 C ATOM 245 C SER A 662 10.387 -1.422 0.300 1.00 0.00 C ATOM 246 O SER A 662 9.315 -1.913 -0.053 1.00 0.00 O ATOM 247 CB SER A 662 11.982 -1.760 -1.598 1.00 0.00 C ATOM 248 OG SER A 662 11.587 -2.847 -2.417 1.00 0.00 O ATOM 0 H SER A 662 10.779 -3.883 0.297 1.00 0.00 H new ATOM 0 HA SER A 662 12.506 -1.613 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 662 11.444 -0.861 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 662 13.044 -1.560 -1.742 1.00 0.00 H new ATOM 0 HG SER A 662 11.771 -2.633 -3.356 1.00 0.00 H new ATOM 254 N CYS A 663 10.471 -0.336 1.058 1.00 0.00 N ATOM 255 CA CYS A 663 9.283 0.362 1.533 1.00 0.00 C ATOM 256 C CYS A 663 8.531 1.011 0.374 1.00 0.00 C ATOM 257 O CYS A 663 9.109 1.762 -0.411 1.00 0.00 O ATOM 258 CB CYS A 663 9.676 1.423 2.559 1.00 0.00 C ATOM 259 SG CYS A 663 8.310 2.008 3.584 1.00 0.00 S ATOM 0 H CYS A 663 11.352 0.081 1.358 1.00 0.00 H new ATOM 0 HA CYS A 663 8.623 -0.367 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 663 10.452 1.015 3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 663 10.112 2.274 2.036 1.00 0.00 H new ATOM 264 N TRP A 664 7.240 0.711 0.274 1.00 0.00 N ATOM 265 CA TRP A 664 6.407 1.261 -0.790 1.00 0.00 C ATOM 266 C TRP A 664 6.291 2.783 -0.687 1.00 0.00 C ATOM 267 O TRP A 664 5.947 3.456 -1.658 1.00 0.00 O ATOM 268 CB TRP A 664 5.009 0.635 -0.749 1.00 0.00 C ATOM 269 CG TRP A 664 4.974 -0.784 -1.234 1.00 0.00 C ATOM 270 CD1 TRP A 664 5.966 -1.713 -1.121 1.00 0.00 C ATOM 271 CD2 TRP A 664 3.888 -1.434 -1.910 1.00 0.00 C ATOM 272 NE1 TRP A 664 5.567 -2.901 -1.684 1.00 0.00 N ATOM 273 CE2 TRP A 664 4.297 -2.755 -2.176 1.00 0.00 C ATOM 274 CE3 TRP A 664 2.612 -1.029 -2.316 1.00 0.00 C ATOM 275 CZ2 TRP A 664 3.474 -3.672 -2.827 1.00 0.00 C ATOM 276 CZ3 TRP A 664 1.799 -1.941 -2.964 1.00 0.00 C ATOM 277 CH2 TRP A 664 2.232 -3.248 -3.212 1.00 0.00 C ATOM 0 H TRP A 664 6.748 0.090 0.917 1.00 0.00 H new ATOM 0 HA TRP A 664 6.887 1.020 -1.738 1.00 0.00 H new ATOM 0 HB2 TRP A 664 4.634 0.670 0.274 1.00 0.00 H new ATOM 0 HB3 TRP A 664 4.333 1.235 -1.358 1.00 0.00 H new ATOM 0 HD1 TRP A 664 6.926 -1.540 -0.657 1.00 0.00 H new ATOM 0 HE1 TRP A 664 6.126 -3.753 -1.728 1.00 0.00 H new ATOM 0 HE3 TRP A 664 2.268 -0.023 -2.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 664 3.805 -4.682 -3.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 664 0.813 -1.639 -3.284 1.00 0.00 H new ATOM 0 HH2 TRP A 664 1.572 -3.937 -3.718 1.00 0.00 H new ATOM 288 N ASN A 665 6.572 3.315 0.502 1.00 0.00 N ATOM 289 CA ASN A 665 6.491 4.755 0.741 1.00 0.00 C ATOM 290 C ASN A 665 7.879 5.399 0.753 1.00 0.00 C ATOM 291 O ASN A 665 8.190 6.242 -0.087 1.00 0.00 O ATOM 292 CB ASN A 665 5.776 5.020 2.074 1.00 0.00 C ATOM 293 CG ASN A 665 6.102 6.383 2.662 1.00 0.00 C ATOM 294 OD1 ASN A 665 5.922 7.413 2.012 1.00 0.00 O ATOM 295 ND2 ASN A 665 6.591 6.392 3.896 1.00 0.00 N ATOM 0 H ASN A 665 6.858 2.770 1.315 1.00 0.00 H new ATOM 0 HA ASN A 665 5.923 5.203 -0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 665 4.699 4.943 1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 665 6.054 4.246 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 665 6.834 7.277 4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 665 6.724 5.514 4.398 1.00 0.00 H new ATOM 302 N CYS A 666 8.700 5.005 1.721 1.00 0.00 N ATOM 303 CA CYS A 666 10.047 5.550 1.857 1.00 0.00 C ATOM 304 C CYS A 666 10.849 5.394 0.567 1.00 0.00 C ATOM 305 O CYS A 666 11.288 6.384 -0.020 1.00 0.00 O ATOM 306 CB CYS A 666 10.784 4.877 3.016 1.00 0.00 C ATOM 307 SG CYS A 666 10.154 5.325 4.650 1.00 0.00 S ATOM 0 H CYS A 666 8.456 4.308 2.425 1.00 0.00 H new ATOM 0 HA CYS A 666 9.949 6.615 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 666 10.717 3.796 2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 666 11.841 5.139 2.961 1.00 0.00 H new ATOM 312 N GLY A 667 11.045 4.153 0.130 1.00 0.00 N ATOM 313 CA GLY A 667 11.800 3.911 -1.085 1.00 0.00 C ATOM 314 C GLY A 667 13.224 3.476 -0.803 1.00 0.00 C ATOM 315 O GLY A 667 14.111 3.649 -1.639 1.00 0.00 O ATOM 0 H GLY A 667 10.696 3.314 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 667 11.298 3.143 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 667 11.813 4.819 -1.688 1.00 0.00 H new ATOM 319 N ARG A 668 13.445 2.911 0.381 1.00 0.00 N ATOM 320 CA ARG A 668 14.770 2.450 0.774 1.00 0.00 C ATOM 321 C ARG A 668 14.733 0.984 1.193 1.00 0.00 C ATOM 322 O ARG A 668 15.387 0.137 0.584 1.00 0.00 O ATOM 323 CB ARG A 668 15.312 3.306 1.920 1.00 0.00 C ATOM 324 CG ARG A 668 15.984 4.589 1.456 1.00 0.00 C ATOM 325 CD ARG A 668 16.946 5.125 2.503 1.00 0.00 C ATOM 326 NE ARG A 668 18.266 4.507 2.400 1.00 0.00 N ATOM 327 CZ ARG A 668 19.180 4.856 1.496 1.00 0.00 C ATOM 328 NH1 ARG A 668 18.920 5.816 0.617 1.00 0.00 N ATOM 329 NH2 ARG A 668 20.355 4.245 1.472 1.00 0.00 N ATOM 0 H ARG A 668 12.722 2.762 1.084 1.00 0.00 H new ATOM 0 HA ARG A 668 15.431 2.547 -0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 668 14.493 3.558 2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 668 16.028 2.718 2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 668 16.523 4.403 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 668 15.225 5.341 1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 668 17.041 6.205 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 668 16.537 4.944 3.497 1.00 0.00 H new ATOM 0 HE ARG A 668 18.501 3.765 3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 668 18.017 6.290 0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 668 19.623 6.080 -0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 668 20.560 3.507 2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 668 21.055 4.512 0.780 1.00 0.00 H new ATOM 343 N LYS A 669 13.964 0.691 2.237 1.00 0.00 N ATOM 344 CA LYS A 669 13.843 -0.675 2.734 1.00 0.00 C ATOM 345 C LYS A 669 12.626 -0.821 3.646 1.00 0.00 C ATOM 346 O LYS A 669 12.196 0.139 4.285 1.00 0.00 O ATOM 347 CB LYS A 669 15.119 -1.084 3.478 1.00 0.00 C ATOM 348 CG LYS A 669 15.233 -0.494 4.876 1.00 0.00 C ATOM 349 CD LYS A 669 14.570 -1.389 5.910 1.00 0.00 C ATOM 350 CE LYS A 669 13.826 -0.576 6.957 1.00 0.00 C ATOM 351 NZ LYS A 669 14.757 0.208 7.815 1.00 0.00 N ATOM 0 H LYS A 669 13.417 1.379 2.754 1.00 0.00 H new ATOM 0 HA LYS A 669 13.706 -1.337 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 669 15.154 -2.171 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 669 15.985 -0.775 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 669 16.284 -0.358 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 669 14.770 0.492 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 669 13.876 -2.067 5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 669 15.326 -2.006 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 669 13.130 0.102 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 669 13.232 -1.244 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 14.211 0.749 8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 15.405 -0.440 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 15.306 0.864 7.223 1.00 0.00 H new ATOM 365 N ALA A 670 12.079 -2.031 3.702 1.00 0.00 N ATOM 366 CA ALA A 670 10.914 -2.310 4.535 1.00 0.00 C ATOM 367 C ALA A 670 11.008 -3.695 5.168 1.00 0.00 C ATOM 368 O ALA A 670 11.506 -4.637 4.551 1.00 0.00 O ATOM 369 CB ALA A 670 9.638 -2.183 3.715 1.00 0.00 C ATOM 0 H ALA A 670 12.425 -2.836 3.179 1.00 0.00 H new ATOM 0 HA ALA A 670 10.889 -1.576 5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 670 8.776 -2.394 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 670 9.559 -1.170 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 670 9.664 -2.894 2.889 1.00 0.00 H new ATOM 375 N SER A 671 10.532 -3.812 6.406 1.00 0.00 N ATOM 376 CA SER A 671 10.568 -5.081 7.128 1.00 0.00 C ATOM 377 C SER A 671 9.165 -5.552 7.511 1.00 0.00 C ATOM 378 O SER A 671 9.000 -6.650 8.044 1.00 0.00 O ATOM 379 CB SER A 671 11.431 -4.948 8.383 1.00 0.00 C ATOM 380 OG SER A 671 12.681 -4.349 8.084 1.00 0.00 O ATOM 0 H SER A 671 10.116 -3.042 6.930 1.00 0.00 H new ATOM 0 HA SER A 671 11.003 -5.827 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 671 10.906 -4.349 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 671 11.592 -5.932 8.823 1.00 0.00 H new ATOM 0 HG SER A 671 13.212 -4.274 8.904 1.00 0.00 H new ATOM 386 N GLU A 672 8.158 -4.726 7.239 1.00 0.00 N ATOM 387 CA GLU A 672 6.779 -5.079 7.560 1.00 0.00 C ATOM 388 C GLU A 672 5.990 -5.354 6.284 1.00 0.00 C ATOM 389 O GLU A 672 6.361 -4.897 5.203 1.00 0.00 O ATOM 390 CB GLU A 672 6.099 -3.964 8.366 1.00 0.00 C ATOM 391 CG GLU A 672 7.034 -3.228 9.317 1.00 0.00 C ATOM 392 CD GLU A 672 7.196 -3.945 10.644 1.00 0.00 C ATOM 393 OE1 GLU A 672 6.206 -4.024 11.401 1.00 0.00 O ATOM 394 OE2 GLU A 672 8.314 -4.425 10.925 1.00 0.00 O ATOM 0 H GLU A 672 8.270 -3.812 6.799 1.00 0.00 H new ATOM 0 HA GLU A 672 6.797 -5.983 8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 672 5.662 -3.245 7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 672 5.278 -4.394 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 672 8.011 -3.116 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 672 6.649 -2.224 9.495 1.00 0.00 H new ATOM 401 N THR A 673 4.912 -6.119 6.417 1.00 0.00 N ATOM 402 CA THR A 673 4.084 -6.475 5.270 1.00 0.00 C ATOM 403 C THR A 673 2.599 -6.272 5.567 1.00 0.00 C ATOM 404 O THR A 673 2.122 -6.576 6.656 1.00 0.00 O ATOM 405 CB THR A 673 4.351 -7.930 4.861 1.00 0.00 C ATOM 406 OG1 THR A 673 5.674 -8.074 4.376 1.00 0.00 O ATOM 407 CG2 THR A 673 3.414 -8.440 3.784 1.00 0.00 C ATOM 0 H THR A 673 4.591 -6.504 7.306 1.00 0.00 H new ATOM 0 HA THR A 673 4.350 -5.815 4.444 1.00 0.00 H new ATOM 0 HB THR A 673 4.188 -8.516 5.765 1.00 0.00 H new ATOM 0 HG1 THR A 673 6.291 -8.165 5.132 1.00 0.00 H new ATOM 0 HG21 THR A 673 3.662 -9.474 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 673 2.386 -8.386 4.141 1.00 0.00 H new ATOM 0 HG23 THR A 673 3.520 -7.826 2.889 1.00 0.00 H new ATOM 415 N CYS A 674 1.874 -5.754 4.584 1.00 0.00 N ATOM 416 CA CYS A 674 0.445 -5.519 4.738 1.00 0.00 C ATOM 417 C CYS A 674 -0.300 -6.849 4.840 1.00 0.00 C ATOM 418 O CYS A 674 -0.463 -7.558 3.848 1.00 0.00 O ATOM 419 CB CYS A 674 -0.080 -4.706 3.553 1.00 0.00 C ATOM 420 SG CYS A 674 -1.867 -4.430 3.568 1.00 0.00 S ATOM 0 H CYS A 674 2.251 -5.489 3.674 1.00 0.00 H new ATOM 0 HA CYS A 674 0.275 -4.955 5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 674 0.424 -3.740 3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 674 0.188 -5.219 2.629 1.00 0.00 H new ATOM 425 N SER A 675 -0.737 -7.185 6.051 1.00 0.00 N ATOM 426 CA SER A 675 -1.452 -8.436 6.293 1.00 0.00 C ATOM 427 C SER A 675 -2.818 -8.464 5.603 1.00 0.00 C ATOM 428 O SER A 675 -3.471 -9.506 5.557 1.00 0.00 O ATOM 429 CB SER A 675 -1.628 -8.661 7.795 1.00 0.00 C ATOM 430 OG SER A 675 -2.248 -7.545 8.410 1.00 0.00 O ATOM 0 H SER A 675 -0.608 -6.607 6.882 1.00 0.00 H new ATOM 0 HA SER A 675 -0.850 -9.239 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 675 -2.230 -9.554 7.964 1.00 0.00 H new ATOM 0 HB3 SER A 675 -0.656 -8.840 8.255 1.00 0.00 H new ATOM 0 HG SER A 675 -1.562 -6.910 8.704 1.00 0.00 H new ATOM 436 N GLY A 676 -3.245 -7.324 5.066 1.00 0.00 N ATOM 437 CA GLY A 676 -4.529 -7.264 4.391 1.00 0.00 C ATOM 438 C GLY A 676 -4.479 -7.866 3.002 1.00 0.00 C ATOM 439 O GLY A 676 -5.331 -8.676 2.639 1.00 0.00 O ATOM 0 H GLY A 676 -2.727 -6.445 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -5.274 -7.791 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -4.852 -6.225 4.323 1.00 0.00 H new ATOM 443 N CYS A 677 -3.473 -7.480 2.225 1.00 0.00 N ATOM 444 CA CYS A 677 -3.313 -7.997 0.872 1.00 0.00 C ATOM 445 C CYS A 677 -2.086 -8.904 0.772 1.00 0.00 C ATOM 446 O CYS A 677 -1.912 -9.621 -0.215 1.00 0.00 O ATOM 447 CB CYS A 677 -3.197 -6.846 -0.129 1.00 0.00 C ATOM 448 SG CYS A 677 -1.825 -5.719 0.200 1.00 0.00 S ATOM 0 H CYS A 677 -2.757 -6.811 2.509 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.197 -8.588 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -3.081 -7.260 -1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -4.128 -6.279 -0.124 1.00 0.00 H new ATOM 453 N ASN A 678 -1.234 -8.867 1.798 1.00 0.00 N ATOM 454 CA ASN A 678 -0.022 -9.681 1.824 1.00 0.00 C ATOM 455 C ASN A 678 0.892 -9.344 0.649 1.00 0.00 C ATOM 456 O ASN A 678 1.694 -10.172 0.218 1.00 0.00 O ATOM 457 CB ASN A 678 -0.381 -11.167 1.798 1.00 0.00 C ATOM 458 CG ASN A 678 0.829 -12.057 2.008 1.00 0.00 C ATOM 459 OD1 ASN A 678 1.450 -12.040 3.070 1.00 0.00 O ATOM 460 ND2 ASN A 678 1.169 -12.842 0.992 1.00 0.00 N ATOM 0 H ASN A 678 -1.363 -8.280 2.622 1.00 0.00 H new ATOM 0 HA ASN A 678 0.513 -9.459 2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 678 -1.119 -11.373 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 678 -0.846 -11.409 0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 678 1.974 -13.463 1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 678 0.625 -12.824 0.129 1.00 0.00 H new ATOM 467 N THR A 679 0.756 -8.130 0.124 1.00 0.00 N ATOM 468 CA THR A 679 1.561 -7.698 -1.014 1.00 0.00 C ATOM 469 C THR A 679 2.355 -6.432 -0.703 1.00 0.00 C ATOM 470 O THR A 679 3.494 -6.276 -1.146 1.00 0.00 O ATOM 471 CB THR A 679 0.659 -7.458 -2.227 1.00 0.00 C ATOM 472 OG1 THR A 679 0.036 -8.663 -2.635 1.00 0.00 O ATOM 473 CG2 THR A 679 1.393 -6.893 -3.426 1.00 0.00 C ATOM 0 H THR A 679 0.098 -7.430 0.467 1.00 0.00 H new ATOM 0 HA THR A 679 2.275 -8.492 -1.234 1.00 0.00 H new ATOM 0 HB THR A 679 -0.075 -6.724 -1.895 1.00 0.00 H new ATOM 0 HG1 THR A 679 -0.547 -8.989 -1.918 1.00 0.00 H new ATOM 0 HG21 THR A 679 0.691 -6.749 -4.247 1.00 0.00 H new ATOM 0 HG22 THR A 679 1.842 -5.936 -3.160 1.00 0.00 H new ATOM 0 HG23 THR A 679 2.175 -7.587 -3.734 1.00 0.00 H new ATOM 481 N ALA A 680 1.742 -5.529 0.050 1.00 0.00 N ATOM 482 CA ALA A 680 2.382 -4.269 0.411 1.00 0.00 C ATOM 483 C ALA A 680 3.469 -4.467 1.461 1.00 0.00 C ATOM 484 O ALA A 680 3.447 -5.434 2.224 1.00 0.00 O ATOM 485 CB ALA A 680 1.341 -3.279 0.910 1.00 0.00 C ATOM 0 H ALA A 680 0.800 -5.645 0.424 1.00 0.00 H new ATOM 0 HA ALA A 680 2.859 -3.870 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 680 1.829 -2.342 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 680 0.608 -3.096 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 680 0.839 -3.689 1.786 1.00 0.00 H new ATOM 491 N ARG A 681 4.413 -3.533 1.496 1.00 0.00 N ATOM 492 CA ARG A 681 5.511 -3.581 2.452 1.00 0.00 C ATOM 493 C ARG A 681 5.785 -2.192 3.019 1.00 0.00 C ATOM 494 O ARG A 681 5.711 -1.195 2.301 1.00 0.00 O ATOM 495 CB ARG A 681 6.772 -4.127 1.781 1.00 0.00 C ATOM 496 CG ARG A 681 6.686 -5.603 1.431 1.00 0.00 C ATOM 497 CD ARG A 681 7.149 -6.476 2.586 1.00 0.00 C ATOM 498 NE ARG A 681 8.570 -6.298 2.871 1.00 0.00 N ATOM 499 CZ ARG A 681 9.306 -7.177 3.550 1.00 0.00 C ATOM 500 NH1 ARG A 681 8.759 -8.294 4.013 1.00 0.00 N ATOM 501 NH2 ARG A 681 10.592 -6.936 3.765 1.00 0.00 N ATOM 0 H ARG A 681 4.439 -2.729 0.869 1.00 0.00 H new ATOM 0 HA ARG A 681 5.228 -4.244 3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 681 6.965 -3.558 0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 681 7.623 -3.968 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 681 5.659 -5.857 1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 681 7.298 -5.806 0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 681 6.568 -6.237 3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 681 6.955 -7.522 2.350 1.00 0.00 H new ATOM 0 HE ARG A 681 9.026 -5.451 2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 681 7.770 -8.483 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 681 9.327 -8.963 4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 681 11.016 -6.079 3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 681 11.157 -7.608 4.285 1.00 0.00 H new ATOM 515 N TYR A 682 6.103 -2.129 4.308 1.00 0.00 N ATOM 516 CA TYR A 682 6.388 -0.856 4.963 1.00 0.00 C ATOM 517 C TYR A 682 7.339 -1.057 6.137 1.00 0.00 C ATOM 518 O TYR A 682 7.305 -2.090 6.803 1.00 0.00 O ATOM 519 CB TYR A 682 5.091 -0.205 5.445 1.00 0.00 C ATOM 520 CG TYR A 682 4.192 0.258 4.322 1.00 0.00 C ATOM 521 CD1 TYR A 682 4.431 1.456 3.661 1.00 0.00 C ATOM 522 CD2 TYR A 682 3.101 -0.504 3.921 1.00 0.00 C ATOM 523 CE1 TYR A 682 3.611 1.882 2.634 1.00 0.00 C ATOM 524 CE2 TYR A 682 2.276 -0.086 2.894 1.00 0.00 C ATOM 525 CZ TYR A 682 2.535 1.107 2.255 1.00 0.00 C ATOM 526 OH TYR A 682 1.716 1.528 1.232 1.00 0.00 O ATOM 0 H TYR A 682 6.170 -2.943 4.919 1.00 0.00 H new ATOM 0 HA TYR A 682 6.866 -0.197 4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 682 4.546 -0.916 6.065 1.00 0.00 H new ATOM 0 HB3 TYR A 682 5.336 0.648 6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 682 5.273 2.065 3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 682 2.894 -1.439 4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 682 3.811 2.816 2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 682 1.433 -0.691 2.594 1.00 0.00 H new ATOM 0 HH TYR A 682 1.006 0.868 1.088 1.00 0.00 H new ATOM 536 N CYS A 683 8.190 -0.069 6.386 1.00 0.00 N ATOM 537 CA CYS A 683 9.145 -0.152 7.482 1.00 0.00 C ATOM 538 C CYS A 683 8.578 0.468 8.759 1.00 0.00 C ATOM 539 O CYS A 683 9.058 0.183 9.857 1.00 0.00 O ATOM 540 CB CYS A 683 10.466 0.525 7.100 1.00 0.00 C ATOM 541 SG CYS A 683 10.383 2.325 6.980 1.00 0.00 S ATOM 0 H CYS A 683 8.238 0.795 5.846 1.00 0.00 H new ATOM 0 HA CYS A 683 9.337 -1.207 7.676 1.00 0.00 H new ATOM 0 HB2 CYS A 683 11.222 0.258 7.838 1.00 0.00 H new ATOM 0 HB3 CYS A 683 10.800 0.125 6.142 1.00 0.00 H new ATOM 546 N GLY A 684 7.557 1.316 8.620 1.00 0.00 N ATOM 547 CA GLY A 684 6.966 1.944 9.788 1.00 0.00 C ATOM 548 C GLY A 684 5.492 2.254 9.609 1.00 0.00 C ATOM 549 O GLY A 684 5.030 2.497 8.493 1.00 0.00 O ATOM 0 H GLY A 684 7.134 1.575 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 684 7.092 1.289 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 684 7.502 2.867 10.008 1.00 0.00 H new ATOM 553 N SER A 685 4.752 2.240 10.715 1.00 0.00 N ATOM 554 CA SER A 685 3.316 2.516 10.693 1.00 0.00 C ATOM 555 C SER A 685 2.998 3.767 9.880 1.00 0.00 C ATOM 556 O SER A 685 1.989 3.819 9.176 1.00 0.00 O ATOM 557 CB SER A 685 2.787 2.675 12.120 1.00 0.00 C ATOM 558 OG SER A 685 3.183 3.917 12.675 1.00 0.00 O ATOM 0 H SER A 685 5.125 2.039 11.643 1.00 0.00 H new ATOM 0 HA SER A 685 2.823 1.669 10.215 1.00 0.00 H new ATOM 0 HB2 SER A 685 1.699 2.604 12.118 1.00 0.00 H new ATOM 0 HB3 SER A 685 3.158 1.860 12.742 1.00 0.00 H new ATOM 0 HG SER A 685 2.831 3.995 13.586 1.00 0.00 H new ATOM 564 N PHE A 686 3.858 4.774 9.976 1.00 0.00 N ATOM 565 CA PHE A 686 3.651 6.015 9.239 1.00 0.00 C ATOM 566 C PHE A 686 3.765 5.771 7.738 1.00 0.00 C ATOM 567 O PHE A 686 3.063 6.395 6.943 1.00 0.00 O ATOM 568 CB PHE A 686 4.652 7.083 9.685 1.00 0.00 C ATOM 569 CG PHE A 686 6.085 6.743 9.386 1.00 0.00 C ATOM 570 CD1 PHE A 686 6.807 5.916 10.232 1.00 0.00 C ATOM 571 CD2 PHE A 686 6.712 7.257 8.262 1.00 0.00 C ATOM 572 CE1 PHE A 686 8.126 5.607 9.962 1.00 0.00 C ATOM 573 CE2 PHE A 686 8.031 6.953 7.987 1.00 0.00 C ATOM 574 CZ PHE A 686 8.739 6.126 8.837 1.00 0.00 C ATOM 0 H PHE A 686 4.699 4.757 10.552 1.00 0.00 H new ATOM 0 HA PHE A 686 2.646 6.376 9.455 1.00 0.00 H new ATOM 0 HB2 PHE A 686 4.404 8.025 9.196 1.00 0.00 H new ATOM 0 HB3 PHE A 686 4.544 7.242 10.758 1.00 0.00 H new ATOM 0 HD1 PHE A 686 6.333 5.508 11.113 1.00 0.00 H new ATOM 0 HD2 PHE A 686 6.163 7.903 7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 686 8.677 4.961 10.629 1.00 0.00 H new ATOM 0 HE2 PHE A 686 8.508 7.361 7.108 1.00 0.00 H new ATOM 0 HZ PHE A 686 9.770 5.885 8.623 1.00 0.00 H new ATOM 584 N CYS A 687 4.656 4.862 7.356 1.00 0.00 N ATOM 585 CA CYS A 687 4.864 4.541 5.949 1.00 0.00 C ATOM 586 C CYS A 687 3.618 3.914 5.336 1.00 0.00 C ATOM 587 O CYS A 687 3.204 4.283 4.237 1.00 0.00 O ATOM 588 CB CYS A 687 6.054 3.599 5.792 1.00 0.00 C ATOM 589 SG CYS A 687 7.509 4.097 6.737 1.00 0.00 S ATOM 0 H CYS A 687 5.245 4.335 8.001 1.00 0.00 H new ATOM 0 HA CYS A 687 5.072 5.471 5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 687 5.756 2.598 6.103 1.00 0.00 H new ATOM 0 HB3 CYS A 687 6.321 3.539 4.737 1.00 0.00 H new ATOM 594 N GLN A 688 3.023 2.964 6.049 1.00 0.00 N ATOM 595 CA GLN A 688 1.825 2.294 5.561 1.00 0.00 C ATOM 596 C GLN A 688 0.685 3.293 5.385 1.00 0.00 C ATOM 597 O GLN A 688 -0.049 3.245 4.397 1.00 0.00 O ATOM 598 CB GLN A 688 1.427 1.150 6.500 1.00 0.00 C ATOM 599 CG GLN A 688 0.810 1.592 7.818 1.00 0.00 C ATOM 600 CD GLN A 688 -0.105 0.534 8.399 1.00 0.00 C ATOM 601 OE1 GLN A 688 -0.028 0.211 9.584 1.00 0.00 O ATOM 602 NE2 GLN A 688 -0.978 -0.011 7.560 1.00 0.00 N ATOM 0 H GLN A 688 3.348 2.643 6.961 1.00 0.00 H new ATOM 0 HA GLN A 688 2.041 1.862 4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 688 0.719 0.503 5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 688 2.311 0.549 6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 688 1.602 1.818 8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 688 0.248 2.513 7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 688 -1.005 0.289 6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 688 -1.622 -0.730 7.890 1.00 0.00 H new ATOM 611 N HIS A 689 0.543 4.204 6.343 1.00 0.00 N ATOM 612 CA HIS A 689 -0.503 5.220 6.294 1.00 0.00 C ATOM 613 C HIS A 689 -0.224 6.254 5.205 1.00 0.00 C ATOM 614 O HIS A 689 -1.144 6.741 4.548 1.00 0.00 O ATOM 615 CB HIS A 689 -0.627 5.914 7.650 1.00 0.00 C ATOM 616 CG HIS A 689 -1.507 5.181 8.612 1.00 0.00 C ATOM 617 ND1 HIS A 689 -1.754 5.619 9.897 1.00 0.00 N ATOM 618 CD2 HIS A 689 -2.203 4.029 8.469 1.00 0.00 C ATOM 619 CE1 HIS A 689 -2.562 4.767 10.502 1.00 0.00 C ATOM 620 NE2 HIS A 689 -2.849 3.794 9.658 1.00 0.00 N ATOM 0 H HIS A 689 1.142 4.259 7.166 1.00 0.00 H new ATOM 0 HA HIS A 689 -1.442 4.721 6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 689 0.366 6.023 8.087 1.00 0.00 H new ATOM 0 HB3 HIS A 689 -1.021 6.919 7.501 1.00 0.00 H new ATOM 0 HD1 HIS A 689 -1.372 6.468 10.314 1.00 0.00 H new ATOM 0 HD2 HIS A 689 -2.243 3.410 7.585 1.00 0.00 H new ATOM 0 HE1 HIS A 689 -2.926 4.852 11.515 1.00 0.00 H new ATOM 629 N LYS A 690 1.049 6.596 5.027 1.00 0.00 N ATOM 630 CA LYS A 690 1.449 7.585 4.029 1.00 0.00 C ATOM 631 C LYS A 690 0.988 7.186 2.629 1.00 0.00 C ATOM 632 O LYS A 690 0.339 7.964 1.930 1.00 0.00 O ATOM 633 CB LYS A 690 2.971 7.751 4.041 1.00 0.00 C ATOM 634 CG LYS A 690 3.448 9.117 3.568 1.00 0.00 C ATOM 635 CD LYS A 690 2.875 9.478 2.206 1.00 0.00 C ATOM 636 CE LYS A 690 3.249 8.454 1.142 1.00 0.00 C ATOM 637 NZ LYS A 690 4.089 9.054 0.069 1.00 0.00 N ATOM 0 H LYS A 690 1.823 6.202 5.562 1.00 0.00 H new ATOM 0 HA LYS A 690 0.972 8.531 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 690 3.337 7.580 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 690 3.415 6.983 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 690 3.158 9.875 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 690 4.537 9.124 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 690 1.790 9.549 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 690 3.240 10.461 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 690 3.787 7.628 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 690 2.342 8.037 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 690 4.323 8.326 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 690 3.566 9.826 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 690 4.966 9.429 0.484 1.00 0.00 H new ATOM 651 N ASP A 691 1.322 5.965 2.231 1.00 0.00 N ATOM 652 CA ASP A 691 0.937 5.464 0.916 1.00 0.00 C ATOM 653 C ASP A 691 -0.475 4.881 0.947 1.00 0.00 C ATOM 654 O ASP A 691 -1.031 4.531 -0.094 1.00 0.00 O ATOM 655 CB ASP A 691 1.928 4.402 0.438 1.00 0.00 C ATOM 656 CG ASP A 691 3.078 4.997 -0.350 1.00 0.00 C ATOM 657 OD1 ASP A 691 3.721 5.940 0.157 1.00 0.00 O ATOM 658 OD2 ASP A 691 3.337 4.519 -1.475 1.00 0.00 O ATOM 0 H ASP A 691 1.856 5.305 2.796 1.00 0.00 H new ATOM 0 HA ASP A 691 0.951 6.302 0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 691 2.322 3.863 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 691 1.405 3.674 -0.182 1.00 0.00 H new ATOM 663 N TRP A 692 -1.046 4.770 2.145 1.00 0.00 N ATOM 664 CA TRP A 692 -2.386 4.220 2.316 1.00 0.00 C ATOM 665 C TRP A 692 -3.367 4.783 1.290 1.00 0.00 C ATOM 666 O TRP A 692 -4.151 4.039 0.702 1.00 0.00 O ATOM 667 CB TRP A 692 -2.891 4.500 3.733 1.00 0.00 C ATOM 668 CG TRP A 692 -4.249 3.932 4.012 1.00 0.00 C ATOM 669 CD1 TRP A 692 -5.257 4.531 4.714 1.00 0.00 C ATOM 670 CD2 TRP A 692 -4.750 2.652 3.604 1.00 0.00 C ATOM 671 NE1 TRP A 692 -6.351 3.704 4.768 1.00 0.00 N ATOM 672 CE2 TRP A 692 -6.067 2.547 4.093 1.00 0.00 C ATOM 673 CE3 TRP A 692 -4.218 1.584 2.873 1.00 0.00 C ATOM 674 CZ2 TRP A 692 -6.856 1.420 3.874 1.00 0.00 C ATOM 675 CZ3 TRP A 692 -5.004 0.467 2.656 1.00 0.00 C ATOM 676 CH2 TRP A 692 -6.309 0.392 3.155 1.00 0.00 C ATOM 0 H TRP A 692 -0.597 5.056 3.015 1.00 0.00 H new ATOM 0 HA TRP A 692 -2.324 3.143 2.157 1.00 0.00 H new ATOM 0 HB2 TRP A 692 -2.181 4.089 4.450 1.00 0.00 H new ATOM 0 HB3 TRP A 692 -2.918 5.578 3.893 1.00 0.00 H new ATOM 0 HD1 TRP A 692 -5.201 5.512 5.161 1.00 0.00 H new ATOM 0 HE1 TRP A 692 -7.232 3.917 5.235 1.00 0.00 H new ATOM 0 HE3 TRP A 692 -3.211 1.631 2.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 692 -7.864 1.360 4.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 692 -4.603 -0.362 2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 692 -6.896 -0.495 2.969 1.00 0.00 H new ATOM 687 N GLU A 693 -3.330 6.098 1.078 1.00 0.00 N ATOM 688 CA GLU A 693 -4.230 6.742 0.126 1.00 0.00 C ATOM 689 C GLU A 693 -4.138 6.084 -1.252 1.00 0.00 C ATOM 690 O GLU A 693 -5.147 5.920 -1.936 1.00 0.00 O ATOM 691 CB GLU A 693 -3.939 8.252 0.051 1.00 0.00 C ATOM 692 CG GLU A 693 -3.338 8.726 -1.265 1.00 0.00 C ATOM 693 CD GLU A 693 -3.271 10.237 -1.363 1.00 0.00 C ATOM 694 OE1 GLU A 693 -2.957 10.884 -0.342 1.00 0.00 O ATOM 695 OE2 GLU A 693 -3.532 10.774 -2.460 1.00 0.00 O ATOM 0 H GLU A 693 -2.689 6.735 1.551 1.00 0.00 H new ATOM 0 HA GLU A 693 -5.254 6.613 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -4.868 8.795 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -3.258 8.516 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -2.335 8.314 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -3.932 8.338 -2.092 1.00 0.00 H new ATOM 702 N LYS A 694 -2.928 5.703 -1.650 1.00 0.00 N ATOM 703 CA LYS A 694 -2.719 5.056 -2.942 1.00 0.00 C ATOM 704 C LYS A 694 -2.908 3.545 -2.838 1.00 0.00 C ATOM 705 O LYS A 694 -3.604 2.936 -3.651 1.00 0.00 O ATOM 706 CB LYS A 694 -1.315 5.355 -3.478 1.00 0.00 C ATOM 707 CG LYS A 694 -0.881 6.802 -3.310 1.00 0.00 C ATOM 708 CD LYS A 694 -1.182 7.622 -4.554 1.00 0.00 C ATOM 709 CE LYS A 694 -2.641 8.047 -4.599 1.00 0.00 C ATOM 710 NZ LYS A 694 -2.945 8.864 -5.806 1.00 0.00 N ATOM 0 H LYS A 694 -2.079 5.830 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 694 -3.461 5.458 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -0.599 4.711 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -1.279 5.097 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -1.392 7.239 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 694 0.187 6.840 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -0.544 8.505 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -0.944 7.038 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -3.277 7.162 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -2.880 8.620 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -3.949 9.133 -5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -2.357 9.721 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -2.742 8.309 -6.661 1.00 0.00 H new ATOM 724 N HIS A 695 -2.254 2.947 -1.848 1.00 0.00 N ATOM 725 CA HIS A 695 -2.311 1.501 -1.645 1.00 0.00 C ATOM 726 C HIS A 695 -3.737 0.987 -1.459 1.00 0.00 C ATOM 727 O HIS A 695 -4.101 -0.048 -2.018 1.00 0.00 O ATOM 728 CB HIS A 695 -1.464 1.106 -0.436 1.00 0.00 C ATOM 729 CG HIS A 695 -1.381 -0.373 -0.238 1.00 0.00 C ATOM 730 ND1 HIS A 695 -1.093 -1.265 -1.247 1.00 0.00 N ATOM 731 CD2 HIS A 695 -1.566 -1.118 0.881 1.00 0.00 C ATOM 732 CE1 HIS A 695 -1.113 -2.497 -0.724 1.00 0.00 C ATOM 733 NE2 HIS A 695 -1.395 -2.463 0.565 1.00 0.00 N ATOM 0 H HIS A 695 -1.675 3.443 -1.170 1.00 0.00 H new ATOM 0 HA HIS A 695 -1.913 1.040 -2.549 1.00 0.00 H new ATOM 0 HB2 HIS A 695 -0.458 1.508 -0.558 1.00 0.00 H new ATOM 0 HB3 HIS A 695 -1.884 1.564 0.460 1.00 0.00 H new ATOM 0 HD1 HIS A 695 -0.899 -1.029 -2.220 1.00 0.00 H new ATOM 0 HD2 HIS A 695 -1.807 -0.730 1.860 1.00 0.00 H new ATOM 0 HE1 HIS A 695 -0.923 -3.401 -1.284 1.00 0.00 H new ATOM 741 N HIS A 696 -4.538 1.687 -0.664 1.00 0.00 N ATOM 742 CA HIS A 696 -5.912 1.273 -0.398 1.00 0.00 C ATOM 743 C HIS A 696 -6.715 1.072 -1.679 1.00 0.00 C ATOM 744 O HIS A 696 -7.623 0.242 -1.715 1.00 0.00 O ATOM 745 CB HIS A 696 -6.621 2.240 0.559 1.00 0.00 C ATOM 746 CG HIS A 696 -7.051 3.538 -0.047 1.00 0.00 C ATOM 747 ND1 HIS A 696 -7.923 3.635 -1.110 1.00 0.00 N ATOM 748 CD2 HIS A 696 -6.743 4.807 0.300 1.00 0.00 C ATOM 749 CE1 HIS A 696 -8.130 4.910 -1.388 1.00 0.00 C ATOM 750 NE2 HIS A 696 -7.426 5.640 -0.547 1.00 0.00 N ATOM 0 H HIS A 696 -4.259 2.547 -0.191 1.00 0.00 H new ATOM 0 HA HIS A 696 -5.853 0.303 0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 696 -7.499 1.741 0.969 1.00 0.00 H new ATOM 0 HB3 HIS A 696 -5.955 2.451 1.395 1.00 0.00 H new ATOM 0 HD2 HIS A 696 -6.081 5.109 1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 696 -8.768 5.290 -2.172 1.00 0.00 H new ATOM 0 HE2 HIS A 696 -7.394 6.659 -0.529 1.00 0.00 H new ATOM 759 N HIS A 697 -6.374 1.801 -2.741 1.00 0.00 N ATOM 760 CA HIS A 697 -7.075 1.642 -4.011 1.00 0.00 C ATOM 761 C HIS A 697 -6.931 0.209 -4.520 1.00 0.00 C ATOM 762 O HIS A 697 -7.777 -0.281 -5.268 1.00 0.00 O ATOM 763 CB HIS A 697 -6.511 2.595 -5.073 1.00 0.00 C ATOM 764 CG HIS A 697 -6.576 4.047 -4.715 1.00 0.00 C ATOM 765 ND1 HIS A 697 -7.724 4.672 -4.279 1.00 0.00 N ATOM 766 CD2 HIS A 697 -5.622 5.007 -4.761 1.00 0.00 C ATOM 767 CE1 HIS A 697 -7.472 5.954 -4.074 1.00 0.00 C ATOM 768 NE2 HIS A 697 -6.205 6.182 -4.358 1.00 0.00 N ATOM 0 H HIS A 697 -5.628 2.497 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 697 -8.126 1.874 -3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 697 -5.471 2.329 -5.264 1.00 0.00 H new ATOM 0 HB3 HIS A 697 -7.055 2.441 -6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 697 -4.593 4.873 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 697 -8.184 6.690 -3.732 1.00 0.00 H new ATOM 0 HE2 HIS A 697 -5.735 7.085 -4.289 1.00 0.00 H new ATOM 777 N ILE A 698 -5.842 -0.452 -4.129 1.00 0.00 N ATOM 778 CA ILE A 698 -5.581 -1.818 -4.572 1.00 0.00 C ATOM 779 C ILE A 698 -5.844 -2.836 -3.467 1.00 0.00 C ATOM 780 O ILE A 698 -6.522 -3.840 -3.690 1.00 0.00 O ATOM 781 CB ILE A 698 -4.124 -2.012 -5.071 1.00 0.00 C ATOM 782 CG1 ILE A 698 -3.434 -0.672 -5.363 1.00 0.00 C ATOM 783 CG2 ILE A 698 -4.108 -2.895 -6.310 1.00 0.00 C ATOM 784 CD1 ILE A 698 -2.215 -0.421 -4.501 1.00 0.00 C ATOM 0 H ILE A 698 -5.130 -0.065 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 698 -6.270 -1.986 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 698 -3.565 -2.500 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -3.139 -0.645 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -4.149 0.137 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -3.081 -3.024 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -4.535 -3.868 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.696 -2.426 -7.099 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -1.778 0.543 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -2.507 -0.416 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -1.481 -1.209 -4.670 1.00 0.00 H new ATOM 796 N CYS A 699 -5.294 -2.582 -2.280 1.00 0.00 N ATOM 797 CA CYS A 699 -5.447 -3.473 -1.129 1.00 0.00 C ATOM 798 C CYS A 699 -6.843 -4.086 -1.050 1.00 0.00 C ATOM 799 O CYS A 699 -7.848 -3.401 -1.247 1.00 0.00 O ATOM 800 CB CYS A 699 -5.150 -2.710 0.163 1.00 0.00 C ATOM 801 SG CYS A 699 -4.871 -3.773 1.600 1.00 0.00 S ATOM 0 H CYS A 699 -4.730 -1.754 -2.089 1.00 0.00 H new ATOM 0 HA CYS A 699 -4.736 -4.289 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 699 -4.270 -2.086 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 699 -5.983 -2.040 0.376 1.00 0.00 H new ATOM 806 N GLY A 700 -6.893 -5.382 -0.753 1.00 0.00 N ATOM 807 CA GLY A 700 -8.164 -6.072 -0.641 1.00 0.00 C ATOM 808 C GLY A 700 -8.632 -6.665 -1.958 1.00 0.00 C ATOM 809 O GLY A 700 -9.400 -7.627 -1.972 1.00 0.00 O ATOM 0 H GLY A 700 -6.073 -5.966 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 700 -8.076 -6.867 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 700 -8.918 -5.376 -0.273 1.00 0.00 H new ATOM 813 N GLN A 701 -8.173 -6.092 -3.066 1.00 0.00 N ATOM 814 CA GLN A 701 -8.556 -6.573 -4.388 1.00 0.00 C ATOM 815 C GLN A 701 -7.355 -6.602 -5.327 1.00 0.00 C ATOM 816 O GLN A 701 -7.073 -5.625 -6.022 1.00 0.00 O ATOM 817 CB GLN A 701 -9.656 -5.687 -4.976 1.00 0.00 C ATOM 818 CG GLN A 701 -10.535 -6.399 -5.990 1.00 0.00 C ATOM 819 CD GLN A 701 -11.017 -5.477 -7.092 1.00 0.00 C ATOM 820 OE1 GLN A 701 -11.195 -4.277 -6.881 1.00 0.00 O ATOM 821 NE2 GLN A 701 -11.232 -6.033 -8.279 1.00 0.00 N ATOM 0 H GLN A 701 -7.536 -5.295 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 701 -8.934 -7.590 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 701 -10.281 -5.313 -4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 701 -9.197 -4.820 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 701 -9.978 -7.226 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 701 -11.396 -6.830 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 701 -11.072 -7.032 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 701 -11.557 -5.461 -9.059 1.00 0.00 H new ATOM 830 N THR A 702 -6.650 -7.729 -5.344 1.00 0.00 N ATOM 831 CA THR A 702 -5.479 -7.885 -6.198 1.00 0.00 C ATOM 832 C THR A 702 -5.482 -9.249 -6.879 1.00 0.00 C ATOM 833 O THR A 702 -5.190 -10.268 -6.253 1.00 0.00 O ATOM 834 CB THR A 702 -4.198 -7.712 -5.380 1.00 0.00 C ATOM 835 OG1 THR A 702 -4.384 -8.172 -4.053 1.00 0.00 O ATOM 836 CG2 THR A 702 -3.725 -6.277 -5.306 1.00 0.00 C ATOM 0 H THR A 702 -6.870 -8.547 -4.776 1.00 0.00 H new ATOM 0 HA THR A 702 -5.516 -7.114 -6.968 1.00 0.00 H new ATOM 0 HB THR A 702 -3.442 -8.301 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 702 -3.553 -8.054 -3.547 1.00 0.00 H new ATOM 0 HG21 THR A 702 -2.813 -6.225 -4.712 1.00 0.00 H new ATOM 0 HG22 THR A 702 -3.524 -5.908 -6.312 1.00 0.00 H new ATOM 0 HG23 THR A 702 -4.496 -5.663 -4.841 1.00 0.00 H new ATOM 844 N LEU A 703 -5.814 -9.262 -8.166 1.00 0.00 N ATOM 845 CA LEU A 703 -5.856 -10.500 -8.933 1.00 0.00 C ATOM 846 C LEU A 703 -4.522 -10.755 -9.630 1.00 0.00 C ATOM 847 O LEU A 703 -3.789 -11.677 -9.269 1.00 0.00 O ATOM 848 CB LEU A 703 -6.985 -10.447 -9.965 1.00 0.00 C ATOM 849 CG LEU A 703 -7.880 -11.688 -10.010 1.00 0.00 C ATOM 850 CD1 LEU A 703 -9.339 -11.291 -10.181 1.00 0.00 C ATOM 851 CD2 LEU A 703 -7.445 -12.618 -11.133 1.00 0.00 C ATOM 0 H LEU A 703 -6.058 -8.428 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 703 -6.045 -11.321 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 703 -7.607 -9.577 -9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 703 -6.548 -10.297 -10.952 1.00 0.00 H new ATOM 0 HG LEU A 703 -7.778 -12.219 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 703 -9.959 -12.187 -10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 703 -9.646 -10.665 -9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 703 -9.458 -10.736 -11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 703 -8.092 -13.495 -11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 703 -7.517 -12.095 -12.087 1.00 0.00 H new ATOM 0 HD23 LEU A 703 -6.414 -12.931 -10.967 1.00 0.00 H new ATOM 863 N GLN A 704 -4.214 -9.935 -10.628 1.00 0.00 N ATOM 864 CA GLN A 704 -2.968 -10.072 -11.374 1.00 0.00 C ATOM 865 C GLN A 704 -1.807 -9.438 -10.616 1.00 0.00 C ATOM 866 O GLN A 704 -2.009 -8.740 -9.621 1.00 0.00 O ATOM 867 CB GLN A 704 -3.103 -9.427 -12.755 1.00 0.00 C ATOM 868 CG GLN A 704 -3.638 -8.006 -12.714 1.00 0.00 C ATOM 869 CD GLN A 704 -3.023 -7.120 -13.780 1.00 0.00 C ATOM 870 OE1 GLN A 704 -2.273 -7.589 -14.636 1.00 0.00 O ATOM 871 NE2 GLN A 704 -3.340 -5.831 -13.733 1.00 0.00 N ATOM 0 H GLN A 704 -4.810 -9.168 -10.940 1.00 0.00 H new ATOM 0 HA GLN A 704 -2.761 -11.135 -11.495 1.00 0.00 H new ATOM 0 HB2 GLN A 704 -2.128 -9.425 -13.243 1.00 0.00 H new ATOM 0 HB3 GLN A 704 -3.765 -10.038 -13.369 1.00 0.00 H new ATOM 0 HG2 GLN A 704 -4.720 -8.025 -12.843 1.00 0.00 H new ATOM 0 HG3 GLN A 704 -3.442 -7.576 -11.732 1.00 0.00 H new ATOM 0 HE21 GLN A 704 -3.966 -5.486 -13.005 1.00 0.00 H new ATOM 0 HE22 GLN A 704 -2.958 -5.186 -14.425 1.00 0.00 H new ATOM 880 N ALA A 705 -0.591 -9.686 -11.090 1.00 0.00 N ATOM 881 CA ALA A 705 0.603 -9.140 -10.456 1.00 0.00 C ATOM 882 C ALA A 705 1.218 -8.033 -11.305 1.00 0.00 C ATOM 883 O ALA A 705 0.771 -7.773 -12.423 1.00 0.00 O ATOM 884 CB ALA A 705 1.620 -10.244 -10.210 1.00 0.00 C ATOM 0 H ALA A 705 -0.406 -10.262 -11.911 1.00 0.00 H new ATOM 0 HA ALA A 705 0.311 -8.708 -9.499 1.00 0.00 H new ATOM 0 HB1 ALA A 705 2.507 -9.823 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 705 1.185 -11.001 -9.557 1.00 0.00 H new ATOM 0 HB3 ALA A 705 1.898 -10.701 -11.160 1.00 0.00 H new ATOM 890 N GLN A 706 2.244 -7.382 -10.767 1.00 0.00 N ATOM 891 CA GLN A 706 2.920 -6.302 -11.476 1.00 0.00 C ATOM 892 C GLN A 706 4.307 -6.054 -10.894 1.00 0.00 C ATOM 893 O GLN A 706 4.798 -4.925 -10.891 1.00 0.00 O ATOM 894 CB GLN A 706 2.088 -5.019 -11.405 1.00 0.00 C ATOM 895 CG GLN A 706 0.936 -4.984 -12.395 1.00 0.00 C ATOM 896 CD GLN A 706 0.542 -3.572 -12.782 1.00 0.00 C ATOM 897 OE1 GLN A 706 0.437 -3.247 -13.964 1.00 0.00 O ATOM 898 NE2 GLN A 706 0.321 -2.725 -11.783 1.00 0.00 N ATOM 0 H GLN A 706 2.625 -7.583 -9.843 1.00 0.00 H new ATOM 0 HA GLN A 706 3.031 -6.599 -12.519 1.00 0.00 H new ATOM 0 HB2 GLN A 706 1.692 -4.909 -10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 706 2.739 -4.164 -11.587 1.00 0.00 H new ATOM 0 HG2 GLN A 706 1.215 -5.538 -13.291 1.00 0.00 H new ATOM 0 HG3 GLN A 706 0.074 -5.492 -11.962 1.00 0.00 H new ATOM 0 HE21 GLN A 706 0.420 -3.038 -10.817 1.00 0.00 H new ATOM 0 HE22 GLN A 706 0.052 -1.761 -11.981 1.00 0.00 H new ATOM 907 N GLN A 707 4.937 -7.118 -10.405 1.00 0.00 N ATOM 908 CA GLN A 707 6.269 -7.016 -9.822 1.00 0.00 C ATOM 909 C GLN A 707 7.111 -8.239 -10.172 1.00 0.00 C ATOM 910 O GLN A 707 6.536 -9.229 -10.670 1.00 0.00 O ATOM 911 CB GLN A 707 6.173 -6.866 -8.302 1.00 0.00 C ATOM 912 CG GLN A 707 7.388 -6.197 -7.680 1.00 0.00 C ATOM 913 CD GLN A 707 8.456 -7.192 -7.271 1.00 0.00 C ATOM 914 OE1 GLN A 707 8.188 -8.385 -7.128 1.00 0.00 O ATOM 915 NE2 GLN A 707 9.676 -6.705 -7.078 1.00 0.00 N ATOM 916 OXT GLN A 707 8.339 -8.195 -9.946 1.00 0.00 O ATOM 0 H GLN A 707 4.546 -8.060 -10.401 1.00 0.00 H new ATOM 0 HA GLN A 707 6.754 -6.133 -10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 707 5.284 -6.285 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 707 6.043 -7.852 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 707 7.811 -5.487 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 707 7.076 -5.625 -6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 707 9.854 -5.709 -7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 707 10.435 -7.327 -6.800 1.00 0.00 H new TER 925 GLN A 707 HETATM 926 ZN ZN A 1 9.146 3.315 5.279 1.00 0.00 ZN HETATM 927 ZN ZN A 2 -2.548 -3.882 1.445 1.00 0.00 ZN