USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=19 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 :FLIP no HE2:sc= -9.44! C(o=-18!,f=-14!) USER MOD Set 1.2: A 697 HIS :FLIP no HD1:sc= -4.89! C(o=-15!,f=-14!) USER MOD Set 2.1: A 665 ASN : amide:sc= -3.04 K(o=-3,f=-4.2!) USER MOD Set 2.2: A 690 LYS NZ :NH3+ -147:sc= 0.0801 (180deg=0) USER MOD Single : A 659 SER OG : rot 44:sc= 1.15 USER MOD Single : A 660 SER OG : rot 180:sc= 0 USER MOD Single : A 662 SER OG : rot 180:sc=-0.00942 USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 SER OG : rot -42:sc= 0.00221 USER MOD Single : A 673 THR OG1 : rot 180:sc= -1.94 USER MOD Single : A 675 SER OG : rot -68:sc= 1.15 USER MOD Single : A 678 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 679 THR OG1 : rot 63:sc= 0.143 USER MOD Single : A 682 TYR OH : rot 180:sc= -0.925 USER MOD Single : A 685 SER OG : rot 180:sc= 0 USER MOD Single : A 688 GLN :FLIP amide:sc= -0.181 F(o=-0.7,f=-0.18) USER MOD Single : A 689 HIS :FLIP no HD1:sc= -0.274 F(o=-0.87,f=-0.27) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 701 GLN : amide:sc= -0.708 K(o=-0.71,f=-2.5!) USER MOD Single : A 702 THR OG1 : rot 180:sc= 0 USER MOD Single : A 704 GLN : amide:sc= -0.265 K(o=-0.27,f=-2!) USER MOD Single : A 706 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 707 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B1101 THR OG1 : rot -39:sc= 0.0925 USER MOD Single : B1103 SER OG : rot 180:sc= 0.055 USER MOD Single : B1104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B1110 SER OG : rot -80:sc= 0.0585 USER MOD Single : B1111 SER OG : rot 19:sc= 0.847 USER MOD Single : B1113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR B1101 -9.525 11.336 7.237 1.00 0.00 N ATOM 2 CA THR B1101 -9.741 11.354 5.766 1.00 0.00 C ATOM 3 C THR B1101 -10.016 9.953 5.232 1.00 0.00 C ATOM 4 O THR B1101 -11.079 9.689 4.671 1.00 0.00 O ATOM 5 CB THR B1101 -8.495 11.939 5.098 1.00 0.00 C ATOM 6 OG1 THR B1101 -7.334 11.231 5.496 1.00 0.00 O ATOM 7 CG2 THR B1101 -8.274 13.402 5.420 1.00 0.00 C ATOM 0 HA THR B1101 -10.613 11.968 5.540 1.00 0.00 H new ATOM 0 HB THR B1101 -8.669 11.842 4.026 1.00 0.00 H new ATOM 0 HG1 THR B1101 -7.400 11.003 6.447 1.00 0.00 H new ATOM 0 HG21 THR B1101 -7.374 13.754 4.915 1.00 0.00 H new ATOM 0 HG22 THR B1101 -9.132 13.983 5.080 1.00 0.00 H new ATOM 0 HG23 THR B1101 -8.157 13.524 6.497 1.00 0.00 H new ATOM 15 N ILE B1102 -9.049 9.057 5.410 1.00 0.00 N ATOM 16 CA ILE B1102 -9.187 7.682 4.945 1.00 0.00 C ATOM 17 C ILE B1102 -9.446 6.732 6.111 1.00 0.00 C ATOM 18 O ILE B1102 -9.138 7.046 7.260 1.00 0.00 O ATOM 19 CB ILE B1102 -7.930 7.213 4.187 1.00 0.00 C ATOM 20 CG1 ILE B1102 -7.463 8.291 3.206 1.00 0.00 C ATOM 21 CG2 ILE B1102 -8.210 5.909 3.453 1.00 0.00 C ATOM 22 CD1 ILE B1102 -6.090 8.028 2.628 1.00 0.00 C ATOM 0 H ILE B1102 -8.163 9.259 5.873 1.00 0.00 H new ATOM 0 HA ILE B1102 -10.039 7.663 4.265 1.00 0.00 H new ATOM 0 HB ILE B1102 -7.134 7.039 4.911 1.00 0.00 H new ATOM 0 HG12 ILE B1102 -8.183 8.366 2.391 1.00 0.00 H new ATOM 0 HG13 ILE B1102 -7.456 9.255 3.715 1.00 0.00 H new ATOM 0 HG21 ILE B1102 -7.313 5.590 2.922 1.00 0.00 H new ATOM 0 HG22 ILE B1102 -8.498 5.142 4.171 1.00 0.00 H new ATOM 0 HG23 ILE B1102 -9.020 6.060 2.739 1.00 0.00 H new ATOM 0 HD11 ILE B1102 -5.824 8.832 1.942 1.00 0.00 H new ATOM 0 HD12 ILE B1102 -5.358 7.983 3.435 1.00 0.00 H new ATOM 0 HD13 ILE B1102 -6.097 7.080 2.091 1.00 0.00 H new ATOM 34 N SER B1103 -10.013 5.569 5.805 1.00 0.00 N ATOM 35 CA SER B1103 -10.312 4.574 6.827 1.00 0.00 C ATOM 36 C SER B1103 -9.033 4.068 7.486 1.00 0.00 C ATOM 37 O SER B1103 -7.954 4.624 7.278 1.00 0.00 O ATOM 38 CB SER B1103 -11.083 3.402 6.218 1.00 0.00 C ATOM 39 OG SER B1103 -11.906 2.772 7.185 1.00 0.00 O ATOM 0 H SER B1103 -10.274 5.293 4.858 1.00 0.00 H new ATOM 0 HA SER B1103 -10.929 5.049 7.590 1.00 0.00 H new ATOM 0 HB2 SER B1103 -11.697 3.758 5.391 1.00 0.00 H new ATOM 0 HB3 SER B1103 -10.381 2.677 5.806 1.00 0.00 H new ATOM 0 HG SER B1103 -12.389 2.028 6.769 1.00 0.00 H new ATOM 45 N ASN B1104 -9.160 3.010 8.280 1.00 0.00 N ATOM 46 CA ASN B1104 -8.014 2.429 8.969 1.00 0.00 C ATOM 47 C ASN B1104 -7.563 1.140 8.283 1.00 0.00 C ATOM 48 O ASN B1104 -8.274 0.135 8.307 1.00 0.00 O ATOM 49 CB ASN B1104 -8.365 2.143 10.431 1.00 0.00 C ATOM 50 CG ASN B1104 -8.871 3.374 11.155 1.00 0.00 C ATOM 51 OD1 ASN B1104 -10.077 3.599 11.255 1.00 0.00 O ATOM 52 ND2 ASN B1104 -7.948 4.180 11.667 1.00 0.00 N ATOM 0 H ASN B1104 -10.045 2.537 8.462 1.00 0.00 H new ATOM 0 HA ASN B1104 -7.195 3.147 8.931 1.00 0.00 H new ATOM 0 HB2 ASN B1104 -9.124 1.362 10.473 1.00 0.00 H new ATOM 0 HB3 ASN B1104 -7.484 1.759 10.945 1.00 0.00 H new ATOM 0 HD21 ASN B1104 -8.228 5.024 12.167 1.00 0.00 H new ATOM 0 HD22 ASN B1104 -6.959 3.955 11.561 1.00 0.00 H new ATOM 59 N PRO B1105 -6.370 1.147 7.658 1.00 0.00 N ATOM 60 CA PRO B1105 -5.837 -0.032 6.967 1.00 0.00 C ATOM 61 C PRO B1105 -5.473 -1.157 7.931 1.00 0.00 C ATOM 62 O PRO B1105 -5.134 -0.909 9.087 1.00 0.00 O ATOM 63 CB PRO B1105 -4.578 0.492 6.272 1.00 0.00 C ATOM 64 CG PRO B1105 -4.177 1.691 7.059 1.00 0.00 C ATOM 65 CD PRO B1105 -5.450 2.297 7.575 1.00 0.00 C ATOM 0 HA PRO B1105 -6.571 -0.462 6.285 1.00 0.00 H new ATOM 0 HB2 PRO B1105 -3.788 -0.259 6.266 1.00 0.00 H new ATOM 0 HB3 PRO B1105 -4.779 0.751 5.232 1.00 0.00 H new ATOM 0 HG2 PRO B1105 -3.516 1.414 7.881 1.00 0.00 H new ATOM 0 HG3 PRO B1105 -3.632 2.401 6.437 1.00 0.00 H new ATOM 0 HD2 PRO B1105 -5.305 2.766 8.548 1.00 0.00 H new ATOM 0 HD3 PRO B1105 -5.829 3.067 6.903 1.00 0.00 H new ATOM 73 N PRO B1106 -5.530 -2.416 7.461 1.00 0.00 N ATOM 74 CA PRO B1106 -5.195 -3.578 8.289 1.00 0.00 C ATOM 75 C PRO B1106 -3.819 -3.441 8.931 1.00 0.00 C ATOM 76 O PRO B1106 -3.044 -2.555 8.572 1.00 0.00 O ATOM 77 CB PRO B1106 -5.212 -4.742 7.295 1.00 0.00 C ATOM 78 CG PRO B1106 -6.110 -4.290 6.197 1.00 0.00 C ATOM 79 CD PRO B1106 -5.917 -2.803 6.092 1.00 0.00 C ATOM 0 HA PRO B1106 -5.889 -3.706 9.120 1.00 0.00 H new ATOM 0 HB2 PRO B1106 -4.211 -4.960 6.923 1.00 0.00 H new ATOM 0 HB3 PRO B1106 -5.584 -5.655 7.761 1.00 0.00 H new ATOM 0 HG2 PRO B1106 -5.858 -4.784 5.258 1.00 0.00 H new ATOM 0 HG3 PRO B1106 -7.149 -4.534 6.417 1.00 0.00 H new ATOM 0 HD2 PRO B1106 -5.144 -2.548 5.368 1.00 0.00 H new ATOM 0 HD3 PRO B1106 -6.830 -2.300 5.774 1.00 0.00 H new ATOM 87 N PRO B1107 -3.496 -4.314 9.899 1.00 0.00 N ATOM 88 CA PRO B1107 -2.206 -4.278 10.592 1.00 0.00 C ATOM 89 C PRO B1107 -1.056 -4.760 9.716 1.00 0.00 C ATOM 90 O PRO B1107 -1.270 -5.405 8.689 1.00 0.00 O ATOM 91 CB PRO B1107 -2.414 -5.225 11.773 1.00 0.00 C ATOM 92 CG PRO B1107 -3.456 -6.181 11.309 1.00 0.00 C ATOM 93 CD PRO B1107 -4.362 -5.400 10.395 1.00 0.00 C ATOM 0 HA PRO B1107 -1.929 -3.264 10.882 1.00 0.00 H new ATOM 0 HB2 PRO B1107 -1.490 -5.741 12.034 1.00 0.00 H new ATOM 0 HB3 PRO B1107 -2.739 -4.685 12.662 1.00 0.00 H new ATOM 0 HG2 PRO B1107 -3.006 -7.024 10.784 1.00 0.00 H new ATOM 0 HG3 PRO B1107 -4.012 -6.591 12.152 1.00 0.00 H new ATOM 0 HD2 PRO B1107 -4.739 -6.017 9.580 1.00 0.00 H new ATOM 0 HD3 PRO B1107 -5.230 -5.010 10.927 1.00 0.00 H new ATOM 101 N LEU B1108 0.166 -4.442 10.132 1.00 0.00 N ATOM 102 CA LEU B1108 1.353 -4.843 9.387 1.00 0.00 C ATOM 103 C LEU B1108 1.983 -6.091 9.999 1.00 0.00 C ATOM 104 O LEU B1108 1.927 -6.296 11.212 1.00 0.00 O ATOM 105 CB LEU B1108 2.374 -3.704 9.360 1.00 0.00 C ATOM 106 CG LEU B1108 1.978 -2.500 8.505 1.00 0.00 C ATOM 107 CD1 LEU B1108 2.851 -1.300 8.838 1.00 0.00 C ATOM 108 CD2 LEU B1108 2.078 -2.842 7.026 1.00 0.00 C ATOM 0 H LEU B1108 0.359 -3.909 10.980 1.00 0.00 H new ATOM 0 HA LEU B1108 1.049 -5.073 8.366 1.00 0.00 H new ATOM 0 HB2 LEU B1108 2.544 -3.365 10.382 1.00 0.00 H new ATOM 0 HB3 LEU B1108 3.322 -4.095 8.992 1.00 0.00 H new ATOM 0 HG LEU B1108 0.943 -2.243 8.728 1.00 0.00 H new ATOM 0 HD11 LEU B1108 2.555 -0.452 8.220 1.00 0.00 H new ATOM 0 HD12 LEU B1108 2.729 -1.042 9.890 1.00 0.00 H new ATOM 0 HD13 LEU B1108 3.895 -1.544 8.643 1.00 0.00 H new ATOM 0 HD21 LEU B1108 1.793 -1.974 6.432 1.00 0.00 H new ATOM 0 HD22 LEU B1108 3.103 -3.125 6.786 1.00 0.00 H new ATOM 0 HD23 LEU B1108 1.410 -3.673 6.799 1.00 0.00 H new ATOM 120 N ILE B1109 2.586 -6.918 9.153 1.00 0.00 N ATOM 121 CA ILE B1109 3.231 -8.144 9.609 1.00 0.00 C ATOM 122 C ILE B1109 4.734 -8.093 9.357 1.00 0.00 C ATOM 123 O ILE B1109 5.176 -7.910 8.223 1.00 0.00 O ATOM 124 CB ILE B1109 2.644 -9.396 8.919 1.00 0.00 C ATOM 125 CG1 ILE B1109 2.129 -9.058 7.520 1.00 0.00 C ATOM 126 CG2 ILE B1109 1.526 -9.987 9.761 1.00 0.00 C ATOM 127 CD1 ILE B1109 1.871 -10.278 6.661 1.00 0.00 C ATOM 0 H ILE B1109 2.642 -6.762 8.147 1.00 0.00 H new ATOM 0 HA ILE B1109 3.042 -8.218 10.680 1.00 0.00 H new ATOM 0 HB ILE B1109 3.440 -10.134 8.821 1.00 0.00 H new ATOM 0 HG12 ILE B1109 1.206 -8.485 7.610 1.00 0.00 H new ATOM 0 HG13 ILE B1109 2.855 -8.417 7.019 1.00 0.00 H new ATOM 0 HG21 ILE B1109 1.122 -10.868 9.263 1.00 0.00 H new ATOM 0 HG22 ILE B1109 1.917 -10.270 10.738 1.00 0.00 H new ATOM 0 HG23 ILE B1109 0.736 -9.247 9.887 1.00 0.00 H new ATOM 0 HD11 ILE B1109 1.508 -9.964 5.683 1.00 0.00 H new ATOM 0 HD12 ILE B1109 2.797 -10.841 6.541 1.00 0.00 H new ATOM 0 HD13 ILE B1109 1.123 -10.909 7.141 1.00 0.00 H new ATOM 139 N SER B1110 5.516 -8.255 10.418 1.00 0.00 N ATOM 140 CA SER B1110 6.969 -8.226 10.304 1.00 0.00 C ATOM 141 C SER B1110 7.513 -9.602 9.938 1.00 0.00 C ATOM 142 O SER B1110 7.160 -10.606 10.557 1.00 0.00 O ATOM 143 CB SER B1110 7.596 -7.748 11.614 1.00 0.00 C ATOM 144 OG SER B1110 6.774 -8.071 12.722 1.00 0.00 O ATOM 0 H SER B1110 5.169 -8.407 11.365 1.00 0.00 H new ATOM 0 HA SER B1110 7.232 -7.528 9.509 1.00 0.00 H new ATOM 0 HB2 SER B1110 8.577 -8.206 11.739 1.00 0.00 H new ATOM 0 HB3 SER B1110 7.751 -6.670 11.574 1.00 0.00 H new ATOM 0 HG SER B1110 6.050 -7.415 12.794 1.00 0.00 H new ATOM 150 N SER B1111 8.376 -9.641 8.927 1.00 0.00 N ATOM 151 CA SER B1111 8.969 -10.895 8.477 1.00 0.00 C ATOM 152 C SER B1111 10.491 -10.828 8.531 1.00 0.00 C ATOM 153 O SER B1111 11.111 -10.011 7.852 1.00 0.00 O ATOM 154 CB SER B1111 8.511 -11.217 7.053 1.00 0.00 C ATOM 155 OG SER B1111 9.091 -10.325 6.117 1.00 0.00 O ATOM 0 H SER B1111 8.680 -8.819 8.405 1.00 0.00 H new ATOM 0 HA SER B1111 8.635 -11.687 9.147 1.00 0.00 H new ATOM 0 HB2 SER B1111 8.786 -12.242 6.802 1.00 0.00 H new ATOM 0 HB3 SER B1111 7.424 -11.155 6.994 1.00 0.00 H new ATOM 0 HG SER B1111 9.878 -9.898 6.516 1.00 0.00 H new ATOM 161 N ALA B1112 11.088 -11.696 9.343 1.00 0.00 N ATOM 162 CA ALA B1112 12.538 -11.736 9.486 1.00 0.00 C ATOM 163 C ALA B1112 13.020 -13.150 9.790 1.00 0.00 C ATOM 164 O ALA B1112 13.333 -13.477 10.935 1.00 0.00 O ATOM 165 CB ALA B1112 12.988 -10.777 10.578 1.00 0.00 C ATOM 0 H ALA B1112 10.589 -12.380 9.911 1.00 0.00 H new ATOM 0 HA ALA B1112 12.980 -11.424 8.540 1.00 0.00 H new ATOM 0 HB1 ALA B1112 14.073 -10.818 10.673 1.00 0.00 H new ATOM 0 HB2 ALA B1112 12.684 -9.763 10.319 1.00 0.00 H new ATOM 0 HB3 ALA B1112 12.530 -11.063 11.525 1.00 0.00 H new ATOM 171 N LYS B1113 13.078 -13.985 8.758 1.00 0.00 N ATOM 172 CA LYS B1113 13.522 -15.365 8.915 1.00 0.00 C ATOM 173 C LYS B1113 14.845 -15.596 8.191 1.00 0.00 C ATOM 174 O LYS B1113 14.912 -15.530 6.963 1.00 0.00 O ATOM 175 CB LYS B1113 12.460 -16.329 8.380 1.00 0.00 C ATOM 176 CG LYS B1113 11.215 -16.402 9.248 1.00 0.00 C ATOM 177 CD LYS B1113 11.247 -17.612 10.168 1.00 0.00 C ATOM 178 CE LYS B1113 9.852 -17.992 10.638 1.00 0.00 C ATOM 179 NZ LYS B1113 9.833 -19.325 11.301 1.00 0.00 N ATOM 0 H LYS B1113 12.823 -13.730 7.804 1.00 0.00 H new ATOM 0 HA LYS B1113 13.672 -15.554 9.978 1.00 0.00 H new ATOM 0 HB2 LYS B1113 12.174 -16.021 7.374 1.00 0.00 H new ATOM 0 HB3 LYS B1113 12.894 -17.325 8.297 1.00 0.00 H new ATOM 0 HG2 LYS B1113 11.132 -15.493 9.844 1.00 0.00 H new ATOM 0 HG3 LYS B1113 10.330 -16.449 8.613 1.00 0.00 H new ATOM 0 HD2 LYS B1113 11.698 -18.456 9.646 1.00 0.00 H new ATOM 0 HD3 LYS B1113 11.877 -17.397 11.031 1.00 0.00 H new ATOM 0 HE2 LYS B1113 9.484 -17.236 11.332 1.00 0.00 H new ATOM 0 HE3 LYS B1113 9.172 -18.000 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS B1113 8.864 -19.547 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS B1113 10.159 -20.051 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS B1113 10.462 -19.310 12.129 1.00 0.00 H new TER 193 LYS B1113 ATOM 194 N ASP A 658 8.344 -14.162 -1.061 1.00 0.00 N ATOM 195 CA ASP A 658 9.216 -13.237 -0.346 1.00 0.00 C ATOM 196 C ASP A 658 10.621 -13.247 -0.938 1.00 0.00 C ATOM 197 O ASP A 658 11.233 -14.304 -1.092 1.00 0.00 O ATOM 198 CB ASP A 658 9.272 -13.600 1.140 1.00 0.00 C ATOM 199 CG ASP A 658 9.255 -12.377 2.035 1.00 0.00 C ATOM 200 OD1 ASP A 658 8.160 -11.818 2.255 1.00 0.00 O ATOM 201 OD2 ASP A 658 10.336 -11.979 2.517 1.00 0.00 O ATOM 0 HA ASP A 658 8.804 -12.233 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 658 8.425 -14.239 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 658 10.175 -14.178 1.336 1.00 0.00 H new ATOM 206 N SER A 659 11.127 -12.063 -1.269 1.00 0.00 N ATOM 207 CA SER A 659 12.461 -11.935 -1.845 1.00 0.00 C ATOM 208 C SER A 659 12.893 -10.474 -1.895 1.00 0.00 C ATOM 209 O SER A 659 13.969 -10.118 -1.415 1.00 0.00 O ATOM 210 CB SER A 659 12.492 -12.538 -3.251 1.00 0.00 C ATOM 211 OG SER A 659 12.856 -13.907 -3.212 1.00 0.00 O ATOM 0 H SER A 659 10.633 -11.179 -1.148 1.00 0.00 H new ATOM 0 HA SER A 659 13.159 -12.479 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 659 11.512 -12.432 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 659 13.200 -11.988 -3.870 1.00 0.00 H new ATOM 0 HG SER A 659 12.372 -14.354 -2.487 1.00 0.00 H new ATOM 217 N SER A 660 12.047 -9.632 -2.479 1.00 0.00 N ATOM 218 CA SER A 660 12.340 -8.208 -2.591 1.00 0.00 C ATOM 219 C SER A 660 11.997 -7.478 -1.296 1.00 0.00 C ATOM 220 O SER A 660 11.020 -7.810 -0.626 1.00 0.00 O ATOM 221 CB SER A 660 11.563 -7.596 -3.757 1.00 0.00 C ATOM 222 OG SER A 660 12.331 -7.612 -4.947 1.00 0.00 O ATOM 0 H SER A 660 11.153 -9.911 -2.882 1.00 0.00 H new ATOM 0 HA SER A 660 13.408 -8.096 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 660 10.637 -8.150 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 660 11.285 -6.570 -3.514 1.00 0.00 H new ATOM 0 HG SER A 660 11.811 -7.217 -5.677 1.00 0.00 H new ATOM 228 N GLU A 661 12.808 -6.484 -0.951 1.00 0.00 N ATOM 229 CA GLU A 661 12.590 -5.707 0.264 1.00 0.00 C ATOM 230 C GLU A 661 12.749 -4.215 -0.008 1.00 0.00 C ATOM 231 O GLU A 661 13.848 -3.741 -0.299 1.00 0.00 O ATOM 232 CB GLU A 661 13.567 -6.145 1.357 1.00 0.00 C ATOM 233 CG GLU A 661 13.686 -7.654 1.497 1.00 0.00 C ATOM 234 CD GLU A 661 14.038 -8.082 2.908 1.00 0.00 C ATOM 235 OE1 GLU A 661 15.240 -8.080 3.246 1.00 0.00 O ATOM 236 OE2 GLU A 661 13.112 -8.420 3.674 1.00 0.00 O ATOM 0 H GLU A 661 13.622 -6.197 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 661 11.570 -5.889 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 661 14.551 -5.730 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 661 13.246 -5.724 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 661 12.744 -8.118 1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 661 14.448 -8.020 0.809 1.00 0.00 H new ATOM 243 N SER A 662 11.648 -3.479 0.088 1.00 0.00 N ATOM 244 CA SER A 662 11.666 -2.041 -0.146 1.00 0.00 C ATOM 245 C SER A 662 10.342 -1.404 0.259 1.00 0.00 C ATOM 246 O SER A 662 9.271 -1.870 -0.134 1.00 0.00 O ATOM 247 CB SER A 662 11.962 -1.745 -1.618 1.00 0.00 C ATOM 248 OG SER A 662 11.560 -2.823 -2.446 1.00 0.00 O ATOM 0 H SER A 662 10.731 -3.855 0.327 1.00 0.00 H new ATOM 0 HA SER A 662 12.456 -1.610 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 662 11.442 -0.836 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 662 13.028 -1.561 -1.748 1.00 0.00 H new ATOM 0 HG SER A 662 11.758 -2.609 -3.381 1.00 0.00 H new ATOM 254 N CYS A 663 10.419 -0.337 1.048 1.00 0.00 N ATOM 255 CA CYS A 663 9.229 0.364 1.510 1.00 0.00 C ATOM 256 C CYS A 663 8.487 1.009 0.344 1.00 0.00 C ATOM 257 O CYS A 663 9.070 1.764 -0.434 1.00 0.00 O ATOM 258 CB CYS A 663 9.618 1.430 2.534 1.00 0.00 C ATOM 259 SG CYS A 663 8.257 1.986 3.583 1.00 0.00 S ATOM 0 H CYS A 663 11.297 0.061 1.381 1.00 0.00 H new ATOM 0 HA CYS A 663 8.564 -0.362 1.978 1.00 0.00 H new ATOM 0 HB2 CYS A 663 10.412 1.035 3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 663 10.030 2.291 2.007 1.00 0.00 H new ATOM 264 N TRP A 664 7.197 0.709 0.231 1.00 0.00 N ATOM 265 CA TRP A 664 6.375 1.260 -0.842 1.00 0.00 C ATOM 266 C TRP A 664 6.246 2.780 -0.724 1.00 0.00 C ATOM 267 O TRP A 664 5.868 3.456 -1.681 1.00 0.00 O ATOM 268 CB TRP A 664 4.983 0.622 -0.827 1.00 0.00 C ATOM 269 CG TRP A 664 4.974 -0.807 -1.282 1.00 0.00 C ATOM 270 CD1 TRP A 664 5.972 -1.725 -1.119 1.00 0.00 C ATOM 271 CD2 TRP A 664 3.916 -1.482 -1.977 1.00 0.00 C ATOM 272 NE1 TRP A 664 5.600 -2.928 -1.667 1.00 0.00 N ATOM 273 CE2 TRP A 664 4.344 -2.805 -2.199 1.00 0.00 C ATOM 274 CE3 TRP A 664 2.647 -1.100 -2.431 1.00 0.00 C ATOM 275 CZ2 TRP A 664 3.551 -3.744 -2.855 1.00 0.00 C ATOM 276 CZ3 TRP A 664 1.864 -2.035 -3.082 1.00 0.00 C ATOM 277 CH2 TRP A 664 2.318 -3.343 -3.287 1.00 0.00 C ATOM 0 H TRP A 664 6.698 0.088 0.868 1.00 0.00 H new ATOM 0 HA TRP A 664 6.869 1.031 -1.786 1.00 0.00 H new ATOM 0 HB2 TRP A 664 4.579 0.676 0.184 1.00 0.00 H new ATOM 0 HB3 TRP A 664 4.319 1.203 -1.467 1.00 0.00 H new ATOM 0 HD1 TRP A 664 6.916 -1.533 -0.630 1.00 0.00 H new ATOM 0 HE1 TRP A 664 6.167 -3.776 -1.676 1.00 0.00 H new ATOM 0 HE3 TRP A 664 2.287 -0.094 -2.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 664 3.899 -4.754 -3.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 664 0.885 -1.751 -3.439 1.00 0.00 H new ATOM 0 HH2 TRP A 664 1.681 -4.050 -3.797 1.00 0.00 H new ATOM 288 N ASN A 665 6.556 3.308 0.460 1.00 0.00 N ATOM 289 CA ASN A 665 6.468 4.743 0.712 1.00 0.00 C ATOM 290 C ASN A 665 7.853 5.392 0.720 1.00 0.00 C ATOM 291 O ASN A 665 8.154 6.247 -0.113 1.00 0.00 O ATOM 292 CB ASN A 665 5.761 4.993 2.051 1.00 0.00 C ATOM 293 CG ASN A 665 6.066 6.362 2.638 1.00 0.00 C ATOM 294 OD1 ASN A 665 5.909 7.385 1.974 1.00 0.00 O ATOM 295 ND2 ASN A 665 6.513 6.382 3.889 1.00 0.00 N ATOM 0 H ASN A 665 6.871 2.760 1.261 1.00 0.00 H new ATOM 0 HA ASN A 665 5.891 5.196 -0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 665 4.684 4.896 1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 665 6.061 4.224 2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 665 6.741 7.271 4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 665 6.628 5.509 4.403 1.00 0.00 H new ATOM 302 N CYS A 666 8.686 4.986 1.674 1.00 0.00 N ATOM 303 CA CYS A 666 10.033 5.536 1.803 1.00 0.00 C ATOM 304 C CYS A 666 10.827 5.380 0.509 1.00 0.00 C ATOM 305 O CYS A 666 11.240 6.371 -0.094 1.00 0.00 O ATOM 306 CB CYS A 666 10.779 4.865 2.958 1.00 0.00 C ATOM 307 SG CYS A 666 10.122 5.270 4.593 1.00 0.00 S ATOM 0 H CYS A 666 8.452 4.278 2.370 1.00 0.00 H new ATOM 0 HA CYS A 666 9.934 6.601 2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 666 10.743 3.784 2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 666 11.828 5.157 2.917 1.00 0.00 H new ATOM 312 N GLY A 667 11.044 4.138 0.084 1.00 0.00 N ATOM 313 CA GLY A 667 11.791 3.899 -1.136 1.00 0.00 C ATOM 314 C GLY A 667 13.215 3.449 -0.864 1.00 0.00 C ATOM 315 O GLY A 667 14.096 3.613 -1.708 1.00 0.00 O ATOM 0 H GLY A 667 10.717 3.298 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 667 11.280 3.140 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 667 11.809 4.811 -1.733 1.00 0.00 H new ATOM 319 N ARG A 668 13.439 2.882 0.318 1.00 0.00 N ATOM 320 CA ARG A 668 14.765 2.408 0.698 1.00 0.00 C ATOM 321 C ARG A 668 14.715 0.946 1.129 1.00 0.00 C ATOM 322 O ARG A 668 15.334 0.083 0.507 1.00 0.00 O ATOM 323 CB ARG A 668 15.332 3.267 1.829 1.00 0.00 C ATOM 324 CG ARG A 668 16.849 3.382 1.803 1.00 0.00 C ATOM 325 CD ARG A 668 17.463 3.091 3.164 1.00 0.00 C ATOM 326 NE ARG A 668 18.116 4.268 3.733 1.00 0.00 N ATOM 327 CZ ARG A 668 19.017 4.216 4.711 1.00 0.00 C ATOM 328 NH1 ARG A 668 19.375 3.049 5.232 1.00 0.00 N ATOM 329 NH2 ARG A 668 19.563 5.334 5.169 1.00 0.00 N ATOM 0 H ARG A 668 12.720 2.740 1.028 1.00 0.00 H new ATOM 0 HA ARG A 668 15.417 2.490 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 668 14.899 4.265 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 668 15.024 2.844 2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 668 17.253 2.688 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 668 17.132 4.385 1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 668 16.687 2.743 3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 668 18.189 2.284 3.069 1.00 0.00 H new ATOM 0 HE ARG A 668 17.866 5.183 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 668 18.959 2.186 4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 668 20.066 3.016 5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 668 19.292 6.234 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 668 20.254 5.294 5.919 1.00 0.00 H new ATOM 343 N LYS A 669 13.972 0.674 2.199 1.00 0.00 N ATOM 344 CA LYS A 669 13.844 -0.685 2.710 1.00 0.00 C ATOM 345 C LYS A 669 12.617 -0.819 3.612 1.00 0.00 C ATOM 346 O LYS A 669 12.175 0.150 4.226 1.00 0.00 O ATOM 347 CB LYS A 669 15.110 -1.088 3.474 1.00 0.00 C ATOM 348 CG LYS A 669 15.227 -0.452 4.851 1.00 0.00 C ATOM 349 CD LYS A 669 14.504 -1.274 5.907 1.00 0.00 C ATOM 350 CE LYS A 669 15.482 -2.023 6.799 1.00 0.00 C ATOM 351 NZ LYS A 669 15.138 -3.468 6.909 1.00 0.00 N ATOM 0 H LYS A 669 13.452 1.375 2.726 1.00 0.00 H new ATOM 0 HA LYS A 669 13.716 -1.355 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 669 15.127 -2.172 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 669 15.983 -0.813 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 669 16.279 -0.356 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 669 14.811 0.555 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 669 13.883 -0.618 6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 669 13.836 -1.985 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 669 16.491 -1.919 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 669 15.485 -1.574 7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 15.828 -3.943 7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 14.185 -3.568 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 15.160 -3.903 5.965 1.00 0.00 H new ATOM 365 N ALA A 670 12.078 -2.032 3.684 1.00 0.00 N ATOM 366 CA ALA A 670 10.906 -2.302 4.510 1.00 0.00 C ATOM 367 C ALA A 670 11.007 -3.671 5.176 1.00 0.00 C ATOM 368 O ALA A 670 11.517 -4.623 4.586 1.00 0.00 O ATOM 369 CB ALA A 670 9.638 -2.210 3.671 1.00 0.00 C ATOM 0 H ALA A 670 12.434 -2.844 3.180 1.00 0.00 H new ATOM 0 HA ALA A 670 10.863 -1.549 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 670 8.771 -2.414 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 670 9.553 -1.209 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 670 9.682 -2.942 2.864 1.00 0.00 H new ATOM 375 N SER A 671 10.524 -3.763 6.413 1.00 0.00 N ATOM 376 CA SER A 671 10.567 -5.013 7.165 1.00 0.00 C ATOM 377 C SER A 671 9.166 -5.493 7.543 1.00 0.00 C ATOM 378 O SER A 671 9.005 -6.591 8.076 1.00 0.00 O ATOM 379 CB SER A 671 11.412 -4.840 8.428 1.00 0.00 C ATOM 380 OG SER A 671 11.952 -6.079 8.854 1.00 0.00 O ATOM 0 H SER A 671 10.098 -2.985 6.916 1.00 0.00 H new ATOM 0 HA SER A 671 11.020 -5.768 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 671 12.220 -4.135 8.235 1.00 0.00 H new ATOM 0 HB3 SER A 671 10.800 -4.414 9.223 1.00 0.00 H new ATOM 0 HG SER A 671 11.268 -6.777 8.781 1.00 0.00 H new ATOM 386 N GLU A 672 8.153 -4.675 7.264 1.00 0.00 N ATOM 387 CA GLU A 672 6.776 -5.039 7.580 1.00 0.00 C ATOM 388 C GLU A 672 5.995 -5.322 6.301 1.00 0.00 C ATOM 389 O GLU A 672 6.376 -4.880 5.218 1.00 0.00 O ATOM 390 CB GLU A 672 6.083 -3.928 8.381 1.00 0.00 C ATOM 391 CG GLU A 672 7.004 -3.191 9.343 1.00 0.00 C ATOM 392 CD GLU A 672 7.152 -3.908 10.671 1.00 0.00 C ATOM 393 OE1 GLU A 672 6.238 -3.791 11.514 1.00 0.00 O ATOM 394 OE2 GLU A 672 8.183 -4.585 10.868 1.00 0.00 O ATOM 0 H GLU A 672 8.260 -3.762 6.823 1.00 0.00 H new ATOM 0 HA GLU A 672 6.799 -5.941 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 672 5.650 -3.209 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 672 5.258 -4.362 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 672 7.986 -3.076 8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 672 6.614 -2.188 9.517 1.00 0.00 H new ATOM 401 N THR A 673 4.912 -6.079 6.436 1.00 0.00 N ATOM 402 CA THR A 673 4.088 -6.444 5.290 1.00 0.00 C ATOM 403 C THR A 673 2.605 -6.220 5.574 1.00 0.00 C ATOM 404 O THR A 673 2.119 -6.505 6.666 1.00 0.00 O ATOM 405 CB THR A 673 4.338 -7.909 4.911 1.00 0.00 C ATOM 406 OG1 THR A 673 5.681 -8.094 4.497 1.00 0.00 O ATOM 407 CG2 THR A 673 3.444 -8.405 3.793 1.00 0.00 C ATOM 0 H THR A 673 4.584 -6.452 7.327 1.00 0.00 H new ATOM 0 HA THR A 673 4.368 -5.801 4.455 1.00 0.00 H new ATOM 0 HB THR A 673 4.114 -8.481 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 673 5.824 -9.034 4.260 1.00 0.00 H new ATOM 0 HG21 THR A 673 3.676 -9.448 3.577 1.00 0.00 H new ATOM 0 HG22 THR A 673 2.401 -8.320 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 673 3.612 -7.804 2.899 1.00 0.00 H new ATOM 415 N CYS A 674 1.890 -5.707 4.582 1.00 0.00 N ATOM 416 CA CYS A 674 0.462 -5.454 4.724 1.00 0.00 C ATOM 417 C CYS A 674 -0.299 -6.773 4.834 1.00 0.00 C ATOM 418 O CYS A 674 -0.464 -7.490 3.849 1.00 0.00 O ATOM 419 CB CYS A 674 -0.047 -4.646 3.529 1.00 0.00 C ATOM 420 SG CYS A 674 -1.829 -4.342 3.537 1.00 0.00 S ATOM 0 H CYS A 674 2.275 -5.458 3.671 1.00 0.00 H new ATOM 0 HA CYS A 674 0.294 -4.879 5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 674 0.473 -3.688 3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 674 0.215 -5.173 2.612 1.00 0.00 H new ATOM 425 N SER A 675 -0.751 -7.091 6.046 1.00 0.00 N ATOM 426 CA SER A 675 -1.484 -8.330 6.294 1.00 0.00 C ATOM 427 C SER A 675 -2.840 -8.348 5.588 1.00 0.00 C ATOM 428 O SER A 675 -3.502 -9.385 5.537 1.00 0.00 O ATOM 429 CB SER A 675 -1.679 -8.533 7.797 1.00 0.00 C ATOM 430 OG SER A 675 -2.533 -7.541 8.340 1.00 0.00 O ATOM 0 H SER A 675 -0.622 -6.507 6.872 1.00 0.00 H new ATOM 0 HA SER A 675 -0.889 -9.147 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 675 -2.101 -9.521 7.982 1.00 0.00 H new ATOM 0 HB3 SER A 675 -0.712 -8.500 8.300 1.00 0.00 H new ATOM 0 HG SER A 675 -2.084 -6.671 8.310 1.00 0.00 H new ATOM 436 N GLY A 676 -3.252 -7.206 5.046 1.00 0.00 N ATOM 437 CA GLY A 676 -4.528 -7.137 4.355 1.00 0.00 C ATOM 438 C GLY A 676 -4.470 -7.759 2.975 1.00 0.00 C ATOM 439 O GLY A 676 -5.315 -8.582 2.623 1.00 0.00 O ATOM 0 H GLY A 676 -2.729 -6.331 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -5.288 -7.646 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -4.836 -6.095 4.269 1.00 0.00 H new ATOM 443 N CYS A 677 -3.467 -7.376 2.193 1.00 0.00 N ATOM 444 CA CYS A 677 -3.300 -7.912 0.848 1.00 0.00 C ATOM 445 C CYS A 677 -2.079 -8.832 0.769 1.00 0.00 C ATOM 446 O CYS A 677 -1.898 -9.550 -0.213 1.00 0.00 O ATOM 447 CB CYS A 677 -3.162 -6.774 -0.164 1.00 0.00 C ATOM 448 SG CYS A 677 -1.820 -5.620 0.201 1.00 0.00 S ATOM 0 H CYS A 677 -2.758 -6.696 2.468 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.187 -8.498 0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -3.001 -7.200 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -4.101 -6.222 -0.204 1.00 0.00 H new ATOM 453 N ASN A 678 -1.244 -8.800 1.808 1.00 0.00 N ATOM 454 CA ASN A 678 -0.042 -9.627 1.850 1.00 0.00 C ATOM 455 C ASN A 678 0.888 -9.301 0.685 1.00 0.00 C ATOM 456 O ASN A 678 1.703 -10.131 0.281 1.00 0.00 O ATOM 457 CB ASN A 678 -0.417 -11.110 1.820 1.00 0.00 C ATOM 458 CG ASN A 678 -0.574 -11.696 3.210 1.00 0.00 C ATOM 459 OD1 ASN A 678 -1.400 -11.239 3.999 1.00 0.00 O ATOM 460 ND2 ASN A 678 0.224 -12.713 3.516 1.00 0.00 N ATOM 0 H ASN A 678 -1.379 -8.211 2.630 1.00 0.00 H new ATOM 0 HA ASN A 678 0.484 -9.410 2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 678 -1.349 -11.235 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 678 0.350 -11.665 1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 678 0.166 -13.147 4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 678 0.895 -13.059 2.830 1.00 0.00 H new ATOM 467 N THR A 679 0.751 -8.096 0.137 1.00 0.00 N ATOM 468 CA THR A 679 1.572 -7.679 -0.994 1.00 0.00 C ATOM 469 C THR A 679 2.368 -6.414 -0.687 1.00 0.00 C ATOM 470 O THR A 679 3.510 -6.264 -1.122 1.00 0.00 O ATOM 471 CB THR A 679 0.689 -7.447 -2.222 1.00 0.00 C ATOM 472 OG1 THR A 679 0.008 -8.637 -2.580 1.00 0.00 O ATOM 473 CG2 THR A 679 1.458 -6.976 -3.438 1.00 0.00 C ATOM 0 H THR A 679 0.082 -7.395 0.457 1.00 0.00 H new ATOM 0 HA THR A 679 2.284 -8.479 -1.195 1.00 0.00 H new ATOM 0 HB THR A 679 -0.008 -6.662 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 679 -0.589 -8.905 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 679 0.769 -6.832 -4.271 1.00 0.00 H new ATOM 0 HG22 THR A 679 1.955 -6.033 -3.211 1.00 0.00 H new ATOM 0 HG23 THR A 679 2.204 -7.723 -3.709 1.00 0.00 H new ATOM 481 N ALA A 680 1.753 -5.503 0.056 1.00 0.00 N ATOM 482 CA ALA A 680 2.396 -4.245 0.415 1.00 0.00 C ATOM 483 C ALA A 680 3.473 -4.444 1.475 1.00 0.00 C ATOM 484 O ALA A 680 3.442 -5.411 2.236 1.00 0.00 O ATOM 485 CB ALA A 680 1.356 -3.244 0.899 1.00 0.00 C ATOM 0 H ALA A 680 0.807 -5.612 0.423 1.00 0.00 H new ATOM 0 HA ALA A 680 2.882 -3.854 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 680 1.848 -2.308 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 680 0.631 -3.061 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 680 0.844 -3.645 1.773 1.00 0.00 H new ATOM 491 N ARG A 681 4.422 -3.514 1.517 1.00 0.00 N ATOM 492 CA ARG A 681 5.515 -3.569 2.482 1.00 0.00 C ATOM 493 C ARG A 681 5.791 -2.183 3.053 1.00 0.00 C ATOM 494 O ARG A 681 5.718 -1.184 2.336 1.00 0.00 O ATOM 495 CB ARG A 681 6.779 -4.119 1.820 1.00 0.00 C ATOM 496 CG ARG A 681 6.686 -5.593 1.460 1.00 0.00 C ATOM 497 CD ARG A 681 6.971 -6.477 2.661 1.00 0.00 C ATOM 498 NE ARG A 681 8.343 -6.324 3.140 1.00 0.00 N ATOM 499 CZ ARG A 681 9.401 -6.875 2.548 1.00 0.00 C ATOM 500 NH1 ARG A 681 9.250 -7.616 1.457 1.00 0.00 N ATOM 501 NH2 ARG A 681 10.615 -6.684 3.049 1.00 0.00 N ATOM 0 H ARG A 681 4.456 -2.710 0.891 1.00 0.00 H new ATOM 0 HA ARG A 681 5.223 -4.233 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 681 6.985 -3.545 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 681 7.625 -3.970 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 681 5.691 -5.812 1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 681 7.395 -5.820 0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 681 6.277 -6.231 3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 681 6.794 -7.519 2.394 1.00 0.00 H new ATOM 0 HE ARG A 681 8.500 -5.762 3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 681 8.319 -7.766 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 681 10.065 -8.035 1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 681 10.737 -6.115 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 681 11.426 -7.106 2.596 1.00 0.00 H new ATOM 515 N TYR A 682 6.106 -2.122 4.343 1.00 0.00 N ATOM 516 CA TYR A 682 6.390 -0.851 4.999 1.00 0.00 C ATOM 517 C TYR A 682 7.343 -1.049 6.173 1.00 0.00 C ATOM 518 O TYR A 682 7.317 -2.083 6.837 1.00 0.00 O ATOM 519 CB TYR A 682 5.090 -0.206 5.485 1.00 0.00 C ATOM 520 CG TYR A 682 4.188 0.250 4.362 1.00 0.00 C ATOM 521 CD1 TYR A 682 4.454 1.423 3.667 1.00 0.00 C ATOM 522 CD2 TYR A 682 3.072 -0.491 3.995 1.00 0.00 C ATOM 523 CE1 TYR A 682 3.636 1.845 2.639 1.00 0.00 C ATOM 524 CE2 TYR A 682 2.246 -0.075 2.967 1.00 0.00 C ATOM 525 CZ TYR A 682 2.533 1.092 2.292 1.00 0.00 C ATOM 526 OH TYR A 682 1.714 1.510 1.268 1.00 0.00 O ATOM 0 H TYR A 682 6.171 -2.936 4.954 1.00 0.00 H new ATOM 0 HA TYR A 682 6.867 -0.191 4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 682 4.550 -0.920 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 682 5.332 0.649 6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 682 5.316 2.015 3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 682 2.846 -1.407 4.521 1.00 0.00 H new ATOM 0 HE1 TYR A 682 3.858 2.759 2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 682 1.381 -0.661 2.695 1.00 0.00 H new ATOM 0 HH TYR A 682 0.984 0.867 1.150 1.00 0.00 H new ATOM 536 N CYS A 683 8.190 -0.057 6.422 1.00 0.00 N ATOM 537 CA CYS A 683 9.150 -0.137 7.514 1.00 0.00 C ATOM 538 C CYS A 683 8.592 0.486 8.793 1.00 0.00 C ATOM 539 O CYS A 683 9.095 0.221 9.885 1.00 0.00 O ATOM 540 CB CYS A 683 10.468 0.539 7.123 1.00 0.00 C ATOM 541 SG CYS A 683 10.368 2.335 6.955 1.00 0.00 S ATOM 0 H CYS A 683 8.231 0.809 5.884 1.00 0.00 H new ATOM 0 HA CYS A 683 9.342 -1.192 7.710 1.00 0.00 H new ATOM 0 HB2 CYS A 683 11.222 0.298 7.873 1.00 0.00 H new ATOM 0 HB3 CYS A 683 10.812 0.117 6.179 1.00 0.00 H new ATOM 546 N GLY A 684 7.556 1.316 8.661 1.00 0.00 N ATOM 547 CA GLY A 684 6.975 1.949 9.832 1.00 0.00 C ATOM 548 C GLY A 684 5.491 2.231 9.679 1.00 0.00 C ATOM 549 O GLY A 684 5.002 2.448 8.571 1.00 0.00 O ATOM 0 H GLY A 684 7.115 1.558 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 684 7.130 1.307 10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 684 7.498 2.884 10.030 1.00 0.00 H new ATOM 553 N SER A 685 4.776 2.219 10.802 1.00 0.00 N ATOM 554 CA SER A 685 3.336 2.467 10.808 1.00 0.00 C ATOM 555 C SER A 685 2.976 3.717 10.008 1.00 0.00 C ATOM 556 O SER A 685 1.916 3.780 9.386 1.00 0.00 O ATOM 557 CB SER A 685 2.831 2.608 12.246 1.00 0.00 C ATOM 558 OG SER A 685 3.467 3.688 12.906 1.00 0.00 O ATOM 0 H SER A 685 5.173 2.039 11.724 1.00 0.00 H new ATOM 0 HA SER A 685 2.852 1.613 10.334 1.00 0.00 H new ATOM 0 HB2 SER A 685 1.752 2.764 12.242 1.00 0.00 H new ATOM 0 HB3 SER A 685 3.017 1.683 12.792 1.00 0.00 H new ATOM 0 HG SER A 685 3.126 3.758 13.822 1.00 0.00 H new ATOM 564 N PHE A 686 3.857 4.711 10.025 1.00 0.00 N ATOM 565 CA PHE A 686 3.611 5.947 9.294 1.00 0.00 C ATOM 566 C PHE A 686 3.709 5.706 7.791 1.00 0.00 C ATOM 567 O PHE A 686 2.983 6.318 7.006 1.00 0.00 O ATOM 568 CB PHE A 686 4.597 7.037 9.726 1.00 0.00 C ATOM 569 CG PHE A 686 6.031 6.729 9.402 1.00 0.00 C ATOM 570 CD1 PHE A 686 6.786 5.920 10.235 1.00 0.00 C ATOM 571 CD2 PHE A 686 6.625 7.253 8.265 1.00 0.00 C ATOM 572 CE1 PHE A 686 8.108 5.640 9.942 1.00 0.00 C ATOM 573 CE2 PHE A 686 7.945 6.977 7.966 1.00 0.00 C ATOM 574 CZ PHE A 686 8.688 6.170 8.806 1.00 0.00 C ATOM 0 H PHE A 686 4.741 4.685 10.533 1.00 0.00 H new ATOM 0 HA PHE A 686 2.602 6.287 9.526 1.00 0.00 H new ATOM 0 HB2 PHE A 686 4.320 7.975 9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 686 4.503 7.191 10.801 1.00 0.00 H new ATOM 0 HD1 PHE A 686 6.337 5.503 11.124 1.00 0.00 H new ATOM 0 HD2 PHE A 686 6.049 7.885 7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 686 8.686 5.008 10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 686 8.396 7.392 7.076 1.00 0.00 H new ATOM 0 HZ PHE A 686 9.721 5.954 8.575 1.00 0.00 H new ATOM 584 N CYS A 687 4.615 4.818 7.396 1.00 0.00 N ATOM 585 CA CYS A 687 4.813 4.502 5.987 1.00 0.00 C ATOM 586 C CYS A 687 3.570 3.857 5.383 1.00 0.00 C ATOM 587 O CYS A 687 3.155 4.207 4.277 1.00 0.00 O ATOM 588 CB CYS A 687 6.014 3.577 5.816 1.00 0.00 C ATOM 589 SG CYS A 687 7.474 4.095 6.745 1.00 0.00 S ATOM 0 H CYS A 687 5.224 4.304 8.033 1.00 0.00 H new ATOM 0 HA CYS A 687 5.001 5.437 5.459 1.00 0.00 H new ATOM 0 HB2 CYS A 687 5.734 2.572 6.130 1.00 0.00 H new ATOM 0 HB3 CYS A 687 6.270 3.521 4.758 1.00 0.00 H new ATOM 594 N GLN A 688 2.979 2.913 6.108 1.00 0.00 N ATOM 595 CA GLN A 688 1.787 2.229 5.628 1.00 0.00 C ATOM 596 C GLN A 688 0.643 3.223 5.432 1.00 0.00 C ATOM 597 O GLN A 688 -0.073 3.169 4.432 1.00 0.00 O ATOM 598 CB GLN A 688 1.392 1.098 6.583 1.00 0.00 C ATOM 599 CG GLN A 688 0.712 1.550 7.866 1.00 0.00 C ATOM 600 CD GLN A 688 -0.137 0.454 8.471 1.00 0.00 C ATOM 601 OE1 GLN A 688 -0.956 -0.179 7.640 1.00 0.00 O flip ATOM 602 NE2 GLN A 688 -0.060 0.178 9.669 1.00 0.00 N flip ATOM 0 H GLN A 688 3.305 2.606 7.025 1.00 0.00 H new ATOM 0 HA GLN A 688 2.007 1.780 4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 688 0.725 0.415 6.057 1.00 0.00 H new ATOM 0 HB3 GLN A 688 2.287 0.533 6.843 1.00 0.00 H new ATOM 0 HG2 GLN A 688 1.468 1.863 8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 688 0.089 2.420 7.659 1.00 0.00 H new ATOM 0 HE21 GLN A 688 0.584 0.692 10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 688 -0.640 -0.564 10.060 1.00 0.00 H new ATOM 611 N HIS A 689 0.482 4.132 6.388 1.00 0.00 N ATOM 612 CA HIS A 689 -0.565 5.144 6.319 1.00 0.00 C ATOM 613 C HIS A 689 -0.268 6.176 5.232 1.00 0.00 C ATOM 614 O HIS A 689 -1.176 6.658 4.555 1.00 0.00 O ATOM 615 CB HIS A 689 -0.718 5.840 7.672 1.00 0.00 C ATOM 616 CG HIS A 689 -1.622 5.110 8.614 1.00 0.00 C ATOM 617 ND1 HIS A 689 -2.311 3.956 8.459 1.00 0.00 N flip ATOM 618 CD2 HIS A 689 -1.903 5.555 9.889 1.00 0.00 C flip ATOM 619 CE1 HIS A 689 -2.990 3.726 9.631 1.00 0.00 C flip ATOM 620 NE2 HIS A 689 -2.725 4.705 10.477 1.00 0.00 N flip ATOM 0 H HIS A 689 1.066 4.188 7.223 1.00 0.00 H new ATOM 0 HA HIS A 689 -1.499 4.642 6.065 1.00 0.00 H new ATOM 0 HB2 HIS A 689 0.265 5.946 8.131 1.00 0.00 H new ATOM 0 HB3 HIS A 689 -1.106 6.846 7.513 1.00 0.00 H new ATOM 0 HD2 HIS A 689 -1.512 6.457 10.336 1.00 0.00 H new ATOM 0 HE1 HIS A 689 -3.635 2.883 9.828 1.00 0.00 H new ATOM 0 HE2 HIS A 689 -3.093 4.790 11.424 1.00 0.00 H new ATOM 629 N LYS A 690 1.008 6.517 5.079 1.00 0.00 N ATOM 630 CA LYS A 690 1.426 7.500 4.082 1.00 0.00 C ATOM 631 C LYS A 690 0.992 7.086 2.678 1.00 0.00 C ATOM 632 O LYS A 690 0.355 7.857 1.958 1.00 0.00 O ATOM 633 CB LYS A 690 2.948 7.670 4.121 1.00 0.00 C ATOM 634 CG LYS A 690 3.430 9.038 3.658 1.00 0.00 C ATOM 635 CD LYS A 690 2.862 9.409 2.296 1.00 0.00 C ATOM 636 CE LYS A 690 3.251 8.400 1.224 1.00 0.00 C ATOM 637 NZ LYS A 690 4.151 8.998 0.200 1.00 0.00 N ATOM 0 H LYS A 690 1.771 6.128 5.632 1.00 0.00 H new ATOM 0 HA LYS A 690 0.945 8.448 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 690 3.296 7.499 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 690 3.405 6.904 3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 690 3.140 9.792 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 690 4.519 9.042 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 690 1.776 9.470 2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 690 3.220 10.398 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 690 3.746 7.548 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 690 2.352 8.020 0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 690 3.963 8.562 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 690 3.978 10.022 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 690 5.142 8.829 0.467 1.00 0.00 H new ATOM 651 N ASP A 691 1.336 5.862 2.299 1.00 0.00 N ATOM 652 CA ASP A 691 0.975 5.345 0.984 1.00 0.00 C ATOM 653 C ASP A 691 -0.435 4.759 0.996 1.00 0.00 C ATOM 654 O ASP A 691 -0.976 4.401 -0.049 1.00 0.00 O ATOM 655 CB ASP A 691 1.975 4.278 0.537 1.00 0.00 C ATOM 656 CG ASP A 691 3.140 4.863 -0.239 1.00 0.00 C ATOM 657 OD1 ASP A 691 3.669 5.911 0.184 1.00 0.00 O ATOM 658 OD2 ASP A 691 3.522 4.271 -1.271 1.00 0.00 O ATOM 0 H ASP A 691 1.863 5.210 2.881 1.00 0.00 H new ATOM 0 HA ASP A 691 1.000 6.176 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 691 2.354 3.750 1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 691 1.463 3.542 -0.082 1.00 0.00 H new ATOM 663 N TRP A 692 -1.025 4.653 2.185 1.00 0.00 N ATOM 664 CA TRP A 692 -2.367 4.103 2.330 1.00 0.00 C ATOM 665 C TRP A 692 -3.334 4.694 1.305 1.00 0.00 C ATOM 666 O TRP A 692 -4.147 3.973 0.726 1.00 0.00 O ATOM 667 CB TRP A 692 -2.887 4.352 3.747 1.00 0.00 C ATOM 668 CG TRP A 692 -4.258 3.801 3.991 1.00 0.00 C ATOM 669 CD1 TRP A 692 -5.278 4.411 4.665 1.00 0.00 C ATOM 670 CD2 TRP A 692 -4.763 2.527 3.568 1.00 0.00 C ATOM 671 NE1 TRP A 692 -6.383 3.597 4.687 1.00 0.00 N ATOM 672 CE2 TRP A 692 -6.093 2.436 4.021 1.00 0.00 C ATOM 673 CE3 TRP A 692 -4.222 1.454 2.852 1.00 0.00 C ATOM 674 CZ2 TRP A 692 -6.888 1.319 3.779 1.00 0.00 C ATOM 675 CZ3 TRP A 692 -5.012 0.346 2.613 1.00 0.00 C ATOM 676 CH2 TRP A 692 -6.333 0.287 3.075 1.00 0.00 C ATOM 0 H TRP A 692 -0.592 4.942 3.062 1.00 0.00 H new ATOM 0 HA TRP A 692 -2.307 3.030 2.149 1.00 0.00 H new ATOM 0 HB2 TRP A 692 -2.194 3.908 4.462 1.00 0.00 H new ATOM 0 HB3 TRP A 692 -2.897 5.425 3.937 1.00 0.00 H new ATOM 0 HD1 TRP A 692 -5.223 5.391 5.115 1.00 0.00 H new ATOM 0 HE1 TRP A 692 -7.275 3.821 5.128 1.00 0.00 H new ATOM 0 HE3 TRP A 692 -3.204 1.491 2.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 692 -7.907 1.270 4.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 692 -4.604 -0.488 2.061 1.00 0.00 H new ATOM 0 HH2 TRP A 692 -6.926 -0.592 2.871 1.00 0.00 H new ATOM 687 N GLU A 693 -3.258 6.006 1.095 1.00 0.00 N ATOM 688 CA GLU A 693 -4.144 6.688 0.156 1.00 0.00 C ATOM 689 C GLU A 693 -4.127 6.037 -1.225 1.00 0.00 C ATOM 690 O GLU A 693 -5.179 5.792 -1.814 1.00 0.00 O ATOM 691 CB GLU A 693 -3.762 8.173 0.050 1.00 0.00 C ATOM 692 CG GLU A 693 -3.085 8.556 -1.260 1.00 0.00 C ATOM 693 CD GLU A 693 -2.689 10.019 -1.307 1.00 0.00 C ATOM 694 OE1 GLU A 693 -1.850 10.434 -0.480 1.00 0.00 O ATOM 695 OE2 GLU A 693 -3.220 10.749 -2.171 1.00 0.00 O ATOM 0 H GLU A 693 -2.591 6.619 1.564 1.00 0.00 H new ATOM 0 HA GLU A 693 -5.159 6.603 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -4.662 8.777 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -3.097 8.424 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -2.198 7.939 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -3.758 8.339 -2.089 1.00 0.00 H new ATOM 702 N LYS A 694 -2.936 5.769 -1.750 1.00 0.00 N ATOM 703 CA LYS A 694 -2.815 5.163 -3.065 1.00 0.00 C ATOM 704 C LYS A 694 -2.878 3.639 -2.990 1.00 0.00 C ATOM 705 O LYS A 694 -3.425 2.992 -3.881 1.00 0.00 O ATOM 706 CB LYS A 694 -1.517 5.609 -3.740 1.00 0.00 C ATOM 707 CG LYS A 694 -0.268 5.328 -2.923 1.00 0.00 C ATOM 708 CD LYS A 694 0.255 6.588 -2.253 1.00 0.00 C ATOM 709 CE LYS A 694 0.613 7.658 -3.274 1.00 0.00 C ATOM 710 NZ LYS A 694 2.075 7.946 -3.287 1.00 0.00 N ATOM 0 H LYS A 694 -2.048 5.961 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 694 -3.661 5.501 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -1.429 5.107 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -1.574 6.679 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -0.489 4.577 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 694 0.504 4.911 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -0.499 6.976 -1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 694 1.134 6.345 -1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 694 0.298 7.333 -4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 694 0.065 8.573 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 2.278 8.680 -3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 2.371 8.280 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 2.597 7.079 -3.527 1.00 0.00 H new ATOM 724 N HIS A 695 -2.304 3.068 -1.937 1.00 0.00 N ATOM 725 CA HIS A 695 -2.287 1.619 -1.775 1.00 0.00 C ATOM 726 C HIS A 695 -3.685 1.051 -1.536 1.00 0.00 C ATOM 727 O HIS A 695 -4.019 -0.015 -2.052 1.00 0.00 O ATOM 728 CB HIS A 695 -1.367 1.225 -0.619 1.00 0.00 C ATOM 729 CG HIS A 695 -1.305 -0.253 -0.388 1.00 0.00 C ATOM 730 ND1 HIS A 695 -0.864 -1.158 -1.328 1.00 0.00 N ATOM 731 CD2 HIS A 695 -1.651 -0.984 0.701 1.00 0.00 C ATOM 732 CE1 HIS A 695 -0.956 -2.383 -0.794 1.00 0.00 C ATOM 733 NE2 HIS A 695 -1.429 -2.332 0.437 1.00 0.00 N ATOM 0 H HIS A 695 -1.846 3.584 -1.186 1.00 0.00 H new ATOM 0 HA HIS A 695 -1.909 1.196 -2.706 1.00 0.00 H new ATOM 0 HB2 HIS A 695 -0.362 1.597 -0.821 1.00 0.00 H new ATOM 0 HB3 HIS A 695 -1.711 1.714 0.293 1.00 0.00 H new ATOM 0 HD1 HIS A 695 -0.527 -0.935 -2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 695 -2.038 -0.583 1.626 1.00 0.00 H new ATOM 0 HE1 HIS A 695 -0.679 -3.294 -1.304 1.00 0.00 H new ATOM 741 N HIS A 696 -4.494 1.745 -0.742 1.00 0.00 N ATOM 742 CA HIS A 696 -5.842 1.285 -0.427 1.00 0.00 C ATOM 743 C HIS A 696 -6.671 1.013 -1.678 1.00 0.00 C ATOM 744 O HIS A 696 -7.537 0.138 -1.663 1.00 0.00 O ATOM 745 CB HIS A 696 -6.568 2.242 0.529 1.00 0.00 C ATOM 746 CG HIS A 696 -6.987 3.551 -0.059 1.00 0.00 C ATOM 747 ND1 HIS A 696 -6.701 4.813 0.331 1.00 0.00 N flip ATOM 748 CD2 HIS A 696 -7.834 3.669 -1.140 1.00 0.00 C flip ATOM 749 CE1 HIS A 696 -7.373 5.663 -0.507 1.00 0.00 C flip ATOM 750 NE2 HIS A 696 -8.049 4.951 -1.385 1.00 0.00 N flip ATOM 0 H HIS A 696 -4.239 2.630 -0.304 1.00 0.00 H new ATOM 0 HA HIS A 696 -5.726 0.333 0.091 1.00 0.00 H new ATOM 0 HB2 HIS A 696 -7.454 1.738 0.915 1.00 0.00 H new ATOM 0 HB3 HIS A 696 -5.917 2.439 1.381 1.00 0.00 H new ATOM 0 HD1 HIS A 696 -6.096 5.083 1.107 1.00 0.00 H new ATOM 0 HD2 HIS A 696 -8.255 2.846 -1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 696 -7.352 6.742 -0.456 1.00 0.00 H new ATOM 759 N HIS A 697 -6.398 1.722 -2.774 1.00 0.00 N ATOM 760 CA HIS A 697 -7.131 1.479 -4.013 1.00 0.00 C ATOM 761 C HIS A 697 -6.891 0.046 -4.480 1.00 0.00 C ATOM 762 O HIS A 697 -7.758 -0.570 -5.101 1.00 0.00 O ATOM 763 CB HIS A 697 -6.683 2.435 -5.127 1.00 0.00 C ATOM 764 CG HIS A 697 -6.629 3.879 -4.737 1.00 0.00 C ATOM 765 ND1 HIS A 697 -5.593 4.749 -4.725 1.00 0.00 N flip ATOM 766 CD2 HIS A 697 -7.733 4.598 -4.333 1.00 0.00 C flip ATOM 767 CE1 HIS A 697 -6.084 5.964 -4.321 1.00 0.00 C flip ATOM 768 NE2 HIS A 697 -7.377 5.848 -4.091 1.00 0.00 N flip ATOM 0 H HIS A 697 -5.690 2.454 -2.829 1.00 0.00 H new ATOM 0 HA HIS A 697 -8.189 1.645 -3.809 1.00 0.00 H new ATOM 0 HB2 HIS A 697 -5.695 2.130 -5.471 1.00 0.00 H new ATOM 0 HB3 HIS A 697 -7.362 2.328 -5.972 1.00 0.00 H new ATOM 0 HD2 HIS A 697 -8.733 4.202 -4.230 1.00 0.00 H new ATOM 0 HE1 HIS A 697 -5.505 6.869 -4.209 1.00 0.00 H new ATOM 0 HE2 HIS A 697 -7.997 6.595 -3.779 1.00 0.00 H new ATOM 777 N ILE A 698 -5.698 -0.470 -4.191 1.00 0.00 N ATOM 778 CA ILE A 698 -5.323 -1.822 -4.595 1.00 0.00 C ATOM 779 C ILE A 698 -5.674 -2.850 -3.526 1.00 0.00 C ATOM 780 O ILE A 698 -6.367 -3.830 -3.799 1.00 0.00 O ATOM 781 CB ILE A 698 -3.809 -1.935 -4.888 1.00 0.00 C ATOM 782 CG1 ILE A 698 -3.265 -0.650 -5.519 1.00 0.00 C ATOM 783 CG2 ILE A 698 -3.537 -3.126 -5.794 1.00 0.00 C ATOM 784 CD1 ILE A 698 -1.757 -0.531 -5.436 1.00 0.00 C ATOM 0 H ILE A 698 -4.973 0.030 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 698 -5.890 -2.027 -5.503 1.00 0.00 H new ATOM 0 HB ILE A 698 -3.293 -2.085 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -3.568 -0.611 -6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -3.718 0.209 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -2.468 -3.195 -5.993 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -3.875 -4.040 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.074 -2.998 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -1.439 0.402 -5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -1.448 -0.538 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -1.297 -1.371 -5.956 1.00 0.00 H new ATOM 796 N CYS A 699 -5.175 -2.624 -2.310 1.00 0.00 N ATOM 797 CA CYS A 699 -5.405 -3.523 -1.177 1.00 0.00 C ATOM 798 C CYS A 699 -6.806 -4.129 -1.190 1.00 0.00 C ATOM 799 O CYS A 699 -7.739 -3.559 -1.756 1.00 0.00 O ATOM 800 CB CYS A 699 -5.184 -2.772 0.136 1.00 0.00 C ATOM 801 SG CYS A 699 -4.810 -3.840 1.545 1.00 0.00 S ATOM 0 H CYS A 699 -4.600 -1.813 -2.082 1.00 0.00 H new ATOM 0 HA CYS A 699 -4.692 -4.343 -1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 699 -4.366 -2.064 0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 699 -6.077 -2.189 0.363 1.00 0.00 H new ATOM 806 N GLY A 700 -6.938 -5.288 -0.553 1.00 0.00 N ATOM 807 CA GLY A 700 -8.219 -5.964 -0.491 1.00 0.00 C ATOM 808 C GLY A 700 -8.626 -6.561 -1.825 1.00 0.00 C ATOM 809 O GLY A 700 -9.809 -6.594 -2.162 1.00 0.00 O ATOM 0 H GLY A 700 -6.177 -5.772 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 700 -8.173 -6.754 0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 700 -8.983 -5.259 -0.164 1.00 0.00 H new ATOM 813 N GLN A 701 -7.642 -7.034 -2.583 1.00 0.00 N ATOM 814 CA GLN A 701 -7.904 -7.632 -3.887 1.00 0.00 C ATOM 815 C GLN A 701 -8.024 -9.149 -3.773 1.00 0.00 C ATOM 816 O GLN A 701 -8.835 -9.771 -4.459 1.00 0.00 O ATOM 817 CB GLN A 701 -6.792 -7.269 -4.872 1.00 0.00 C ATOM 818 CG GLN A 701 -5.430 -7.821 -4.484 1.00 0.00 C ATOM 819 CD GLN A 701 -4.290 -6.921 -4.921 1.00 0.00 C ATOM 820 OE1 GLN A 701 -4.405 -6.187 -5.903 1.00 0.00 O ATOM 821 NE2 GLN A 701 -3.181 -6.974 -4.193 1.00 0.00 N ATOM 0 H GLN A 701 -6.657 -7.015 -2.317 1.00 0.00 H new ATOM 0 HA GLN A 701 -8.850 -7.236 -4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 701 -7.058 -7.643 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 701 -6.726 -6.184 -4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 701 -5.390 -7.953 -3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 701 -5.301 -8.807 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 701 -3.129 -7.597 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 701 -2.381 -6.392 -4.440 1.00 0.00 H new ATOM 830 N THR A 702 -7.211 -9.737 -2.901 1.00 0.00 N ATOM 831 CA THR A 702 -7.226 -11.182 -2.696 1.00 0.00 C ATOM 832 C THR A 702 -7.281 -11.518 -1.210 1.00 0.00 C ATOM 833 O THR A 702 -6.576 -10.916 -0.400 1.00 0.00 O ATOM 834 CB THR A 702 -5.990 -11.821 -3.332 1.00 0.00 C ATOM 835 OG1 THR A 702 -5.924 -11.521 -4.714 1.00 0.00 O ATOM 836 CG2 THR A 702 -5.955 -13.327 -3.188 1.00 0.00 C ATOM 0 H THR A 702 -6.534 -9.236 -2.325 1.00 0.00 H new ATOM 0 HA THR A 702 -8.119 -11.584 -3.174 1.00 0.00 H new ATOM 0 HB THR A 702 -5.140 -11.400 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 702 -5.126 -11.937 -5.101 1.00 0.00 H new ATOM 0 HG21 THR A 702 -5.053 -13.717 -3.660 1.00 0.00 H new ATOM 0 HG22 THR A 702 -5.954 -13.591 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 702 -6.832 -13.759 -3.669 1.00 0.00 H new ATOM 844 N LEU A 703 -8.123 -12.484 -0.858 1.00 0.00 N ATOM 845 CA LEU A 703 -8.270 -12.901 0.531 1.00 0.00 C ATOM 846 C LEU A 703 -7.610 -14.256 0.765 1.00 0.00 C ATOM 847 O LEU A 703 -6.910 -14.453 1.758 1.00 0.00 O ATOM 848 CB LEU A 703 -9.751 -12.970 0.911 1.00 0.00 C ATOM 849 CG LEU A 703 -10.467 -11.619 0.972 1.00 0.00 C ATOM 850 CD1 LEU A 703 -11.971 -11.816 1.072 1.00 0.00 C ATOM 851 CD2 LEU A 703 -9.955 -10.799 2.147 1.00 0.00 C ATOM 0 H LEU A 703 -8.714 -12.993 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 703 -7.774 -12.162 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 703 -10.266 -13.605 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 703 -9.839 -13.455 1.883 1.00 0.00 H new ATOM 0 HG LEU A 703 -10.254 -11.074 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 703 -12.463 -10.844 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 703 -12.325 -12.364 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 703 -12.205 -12.381 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 703 -10.474 -9.841 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 703 -10.139 -11.340 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 703 -8.885 -10.628 2.032 1.00 0.00 H new ATOM 863 N GLN A 704 -7.840 -15.187 -0.155 1.00 0.00 N ATOM 864 CA GLN A 704 -7.268 -16.524 -0.050 1.00 0.00 C ATOM 865 C GLN A 704 -6.645 -16.955 -1.373 1.00 0.00 C ATOM 866 O GLN A 704 -7.109 -16.567 -2.445 1.00 0.00 O ATOM 867 CB GLN A 704 -8.342 -17.529 0.373 1.00 0.00 C ATOM 868 CG GLN A 704 -7.777 -18.852 0.863 1.00 0.00 C ATOM 869 CD GLN A 704 -8.369 -20.044 0.137 1.00 0.00 C ATOM 870 OE1 GLN A 704 -8.869 -19.920 -0.981 1.00 0.00 O ATOM 871 NE2 GLN A 704 -8.317 -21.209 0.773 1.00 0.00 N ATOM 0 H GLN A 704 -8.419 -15.040 -0.982 1.00 0.00 H new ATOM 0 HA GLN A 704 -6.485 -16.498 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 704 -8.950 -17.088 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 704 -9.005 -17.717 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 704 -6.695 -18.852 0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 704 -7.968 -18.951 1.932 1.00 0.00 H new ATOM 0 HE21 GLN A 704 -7.893 -21.266 1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 704 -8.701 -22.047 0.335 1.00 0.00 H new ATOM 880 N ALA A 705 -5.591 -17.760 -1.289 1.00 0.00 N ATOM 881 CA ALA A 705 -4.904 -18.245 -2.482 1.00 0.00 C ATOM 882 C ALA A 705 -5.791 -19.196 -3.276 1.00 0.00 C ATOM 883 O ALA A 705 -5.726 -20.413 -3.101 1.00 0.00 O ATOM 884 CB ALA A 705 -3.602 -18.931 -2.096 1.00 0.00 C ATOM 0 H ALA A 705 -5.194 -18.090 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 705 -4.677 -17.388 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 705 -3.099 -19.288 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 705 -2.957 -18.222 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 705 -3.816 -19.775 -1.440 1.00 0.00 H new ATOM 890 N GLN A 706 -6.619 -18.633 -4.150 1.00 0.00 N ATOM 891 CA GLN A 706 -7.520 -19.431 -4.973 1.00 0.00 C ATOM 892 C GLN A 706 -6.737 -20.298 -5.954 1.00 0.00 C ATOM 893 O GLN A 706 -6.065 -19.786 -6.850 1.00 0.00 O ATOM 894 CB GLN A 706 -8.486 -18.523 -5.736 1.00 0.00 C ATOM 895 CG GLN A 706 -7.792 -17.552 -6.678 1.00 0.00 C ATOM 896 CD GLN A 706 -8.609 -16.301 -6.931 1.00 0.00 C ATOM 897 OE1 GLN A 706 -8.368 -15.256 -6.328 1.00 0.00 O ATOM 898 NE2 GLN A 706 -9.584 -16.402 -7.827 1.00 0.00 N ATOM 0 H GLN A 706 -6.685 -17.627 -4.306 1.00 0.00 H new ATOM 0 HA GLN A 706 -8.091 -20.085 -4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 706 -9.177 -19.141 -6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 706 -9.083 -17.958 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 706 -6.826 -17.272 -6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 706 -7.594 -18.051 -7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 706 -9.749 -17.289 -8.304 1.00 0.00 H new ATOM 0 HE22 GLN A 706 -10.168 -15.593 -8.039 1.00 0.00 H new ATOM 907 N GLN A 707 -6.827 -21.612 -5.779 1.00 0.00 N ATOM 908 CA GLN A 707 -6.127 -22.550 -6.649 1.00 0.00 C ATOM 909 C GLN A 707 -7.115 -23.384 -7.457 1.00 0.00 C ATOM 910 O GLN A 707 -6.828 -23.658 -8.641 1.00 0.00 O ATOM 911 CB GLN A 707 -5.223 -23.466 -5.822 1.00 0.00 C ATOM 912 CG GLN A 707 -4.389 -24.418 -6.664 1.00 0.00 C ATOM 913 CD GLN A 707 -3.206 -24.985 -5.903 1.00 0.00 C ATOM 914 OE1 GLN A 707 -3.365 -25.566 -4.830 1.00 0.00 O ATOM 915 NE2 GLN A 707 -2.011 -24.817 -6.457 1.00 0.00 N ATOM 916 OXT GLN A 707 -8.168 -23.760 -6.898 1.00 0.00 O ATOM 0 H GLN A 707 -7.378 -22.052 -5.042 1.00 0.00 H new ATOM 0 HA GLN A 707 -5.513 -21.976 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 707 -4.557 -22.853 -5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 707 -5.839 -24.046 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 707 -5.019 -25.237 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 707 -4.029 -23.894 -7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 707 -1.926 -24.329 -7.348 1.00 0.00 H new ATOM 0 HE22 GLN A 707 -1.178 -25.176 -5.991 1.00 0.00 H new TER 925 GLN A 707 HETATM 926 ZN ZN A 1 9.096 3.290 5.277 1.00 0.00 ZN HETATM 927 ZN ZN A 2 -2.491 -3.746 1.421 1.00 0.00 ZN