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= -11.9! C(o=-18!,f=-16!) USER MOD Set 1.2: A 697 HIS :FLIP no HD1:sc= -3.59 X(o=-16!,f=-16) USER MOD Set 2.1: A 665 ASN : amide:sc= -3.15 X(o=-3.1,f=-3.4!) USER MOD Set 2.2: A 690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 688 GLN : amide:sc= -2.9 K(o=-2.9,f=-8.2!) USER MOD Set 3.2: A 689 HIS :FLIP no HE2:sc= -0.0265 F(o=-3.8,f=-2.9) USER MOD Set 4.1: A 669 LYS NZ :NH3+ 168:sc= 0.00298 (180deg=0) USER MOD Set 4.2: A 671 SER OG : rot 180:sc= 0.00258 USER MOD Single : A 659 SER OG : rot 180:sc= -0.177 USER MOD Single : A 660 SER OG : rot 180:sc= 0 USER MOD Single : A 662 SER OG : rot 170:sc=-0.00776 USER MOD Single : A 673 THR OG1 : rot 135:sc= -0.27 USER MOD Single : A 675 SER OG : rot -93:sc= 1.3 USER MOD Single : A 678 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 679 THR OG1 : rot 63:sc= 0.123 USER MOD Single : A 682 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 685 SER OG : rot 180:sc= 0.0265 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) USER MOD Single : A 702 THR OG1 : rot 180:sc= 0 USER MOD Single : A 704 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.015) USER MOD Single : A 706 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.014) USER MOD Single : A 707 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.18) USER MOD Single : B1101 THR OG1 : rot -16:sc= 0.617 USER MOD Single : B1103 SER OG : rot 35:sc= 0.0524 USER MOD Single : B1104 ASN : amide:sc= -0.0843 X(o=-0.084,f=0) USER MOD Single : B1110 SER OG : rot 30:sc= 0.0417 USER MOD Single : B1111 SER OG : rot 30:sc= 0.621 USER MOD Single : B1113 LYS NZ :NH3+ -160:sc= -0.0553 (180deg=-0.321) USER MOD ----------------------------------------------------------------- ATOM 1 N THR B1101 -6.841 9.446 7.594 1.00 0.00 N ATOM 2 CA THR B1101 -6.436 9.106 6.205 1.00 0.00 C ATOM 3 C THR B1101 -7.352 8.045 5.606 1.00 0.00 C ATOM 4 O THR B1101 -7.107 6.847 5.749 1.00 0.00 O ATOM 5 CB THR B1101 -4.991 8.603 6.230 1.00 0.00 C ATOM 6 OG1 THR B1101 -4.736 7.868 7.414 1.00 0.00 O ATOM 7 CG2 THR B1101 -3.969 9.716 6.152 1.00 0.00 C ATOM 0 HA THR B1101 -6.515 9.996 5.581 1.00 0.00 H new ATOM 0 HB THR B1101 -4.889 7.975 5.345 1.00 0.00 H new ATOM 0 HG1 THR B1101 -5.444 8.045 8.068 1.00 0.00 H new ATOM 0 HG21 THR B1101 -2.966 9.291 6.174 1.00 0.00 H new ATOM 0 HG22 THR B1101 -4.107 10.272 5.225 1.00 0.00 H new ATOM 0 HG23 THR B1101 -4.097 10.388 7.001 1.00 0.00 H new ATOM 15 N ILE B1102 -8.409 8.494 4.934 1.00 0.00 N ATOM 16 CA ILE B1102 -9.363 7.590 4.310 1.00 0.00 C ATOM 17 C ILE B1102 -10.021 6.678 5.343 1.00 0.00 C ATOM 18 O ILE B1102 -11.129 6.947 5.808 1.00 0.00 O ATOM 19 CB ILE B1102 -8.687 6.743 3.212 1.00 0.00 C ATOM 20 CG1 ILE B1102 -8.144 7.649 2.107 1.00 0.00 C ATOM 21 CG2 ILE B1102 -9.664 5.728 2.637 1.00 0.00 C ATOM 22 CD1 ILE B1102 -6.712 8.084 2.331 1.00 0.00 C ATOM 0 H ILE B1102 -8.624 9.483 4.809 1.00 0.00 H new ATOM 0 HA ILE B1102 -10.138 8.203 3.850 1.00 0.00 H new ATOM 0 HB ILE B1102 -7.855 6.198 3.658 1.00 0.00 H new ATOM 0 HG12 ILE B1102 -8.211 7.125 1.153 1.00 0.00 H new ATOM 0 HG13 ILE B1102 -8.776 8.534 2.030 1.00 0.00 H new ATOM 0 HG21 ILE B1102 -9.167 5.141 1.865 1.00 0.00 H new ATOM 0 HG22 ILE B1102 -10.009 5.065 3.430 1.00 0.00 H new ATOM 0 HG23 ILE B1102 -10.517 6.250 2.204 1.00 0.00 H new ATOM 0 HD11 ILE B1102 -6.393 8.724 1.508 1.00 0.00 H new ATOM 0 HD12 ILE B1102 -6.642 8.636 3.268 1.00 0.00 H new ATOM 0 HD13 ILE B1102 -6.068 7.206 2.378 1.00 0.00 H new ATOM 34 N SER B1103 -9.332 5.602 5.700 1.00 0.00 N ATOM 35 CA SER B1103 -9.849 4.652 6.678 1.00 0.00 C ATOM 36 C SER B1103 -8.708 3.979 7.434 1.00 0.00 C ATOM 37 O SER B1103 -7.540 4.317 7.246 1.00 0.00 O ATOM 38 CB SER B1103 -10.714 3.596 5.988 1.00 0.00 C ATOM 39 OG SER B1103 -12.085 3.955 6.026 1.00 0.00 O ATOM 0 H SER B1103 -8.413 5.365 5.327 1.00 0.00 H new ATOM 0 HA SER B1103 -10.462 5.200 7.393 1.00 0.00 H new ATOM 0 HB2 SER B1103 -10.394 3.479 4.953 1.00 0.00 H new ATOM 0 HB3 SER B1103 -10.574 2.631 6.476 1.00 0.00 H new ATOM 0 HG SER B1103 -12.170 4.929 5.958 1.00 0.00 H new ATOM 45 N ASN B1104 -9.056 3.024 8.290 1.00 0.00 N ATOM 46 CA ASN B1104 -8.061 2.303 9.074 1.00 0.00 C ATOM 47 C ASN B1104 -7.698 0.977 8.407 1.00 0.00 C ATOM 48 O ASN B1104 -8.476 0.023 8.447 1.00 0.00 O ATOM 49 CB ASN B1104 -8.587 2.045 10.486 1.00 0.00 C ATOM 50 CG ASN B1104 -9.109 3.305 11.149 1.00 0.00 C ATOM 51 OD1 ASN B1104 -10.214 3.324 11.691 1.00 0.00 O ATOM 52 ND2 ASN B1104 -8.313 4.368 11.108 1.00 0.00 N ATOM 0 H ASN B1104 -10.019 2.732 8.458 1.00 0.00 H new ATOM 0 HA ASN B1104 -7.164 2.919 9.132 1.00 0.00 H new ATOM 0 HB2 ASN B1104 -9.385 1.303 10.444 1.00 0.00 H new ATOM 0 HB3 ASN B1104 -7.789 1.621 11.096 1.00 0.00 H new ATOM 0 HD21 ASN B1104 -8.610 5.245 11.537 1.00 0.00 H new ATOM 0 HD22 ASN B1104 -7.405 4.308 10.648 1.00 0.00 H new ATOM 59 N PRO B1105 -6.510 0.896 7.782 1.00 0.00 N ATOM 60 CA PRO B1105 -6.057 -0.323 7.106 1.00 0.00 C ATOM 61 C PRO B1105 -5.702 -1.437 8.089 1.00 0.00 C ATOM 62 O PRO B1105 -5.435 -1.178 9.263 1.00 0.00 O ATOM 63 CB PRO B1105 -4.810 0.132 6.347 1.00 0.00 C ATOM 64 CG PRO B1105 -4.302 1.299 7.118 1.00 0.00 C ATOM 65 CD PRO B1105 -5.518 1.984 7.682 1.00 0.00 C ATOM 0 HA PRO B1105 -6.833 -0.743 6.467 1.00 0.00 H new ATOM 0 HB2 PRO B1105 -4.066 -0.663 6.296 1.00 0.00 H new ATOM 0 HB3 PRO B1105 -5.051 0.410 5.321 1.00 0.00 H new ATOM 0 HG2 PRO B1105 -3.630 0.978 7.914 1.00 0.00 H new ATOM 0 HG3 PRO B1105 -3.736 1.974 6.476 1.00 0.00 H new ATOM 0 HD2 PRO B1105 -5.312 2.430 8.655 1.00 0.00 H new ATOM 0 HD3 PRO B1105 -5.866 2.786 7.030 1.00 0.00 H new ATOM 73 N PRO B1106 -5.691 -2.695 7.617 1.00 0.00 N ATOM 74 CA PRO B1106 -5.363 -3.853 8.458 1.00 0.00 C ATOM 75 C PRO B1106 -3.998 -3.711 9.128 1.00 0.00 C ATOM 76 O PRO B1106 -3.253 -2.773 8.845 1.00 0.00 O ATOM 77 CB PRO B1106 -5.358 -5.025 7.471 1.00 0.00 C ATOM 78 CG PRO B1106 -6.209 -4.572 6.336 1.00 0.00 C ATOM 79 CD PRO B1106 -5.995 -3.089 6.230 1.00 0.00 C ATOM 0 HA PRO B1106 -6.072 -3.976 9.277 1.00 0.00 H new ATOM 0 HB2 PRO B1106 -4.346 -5.257 7.138 1.00 0.00 H new ATOM 0 HB3 PRO B1106 -5.759 -5.929 7.929 1.00 0.00 H new ATOM 0 HG2 PRO B1106 -5.927 -5.075 5.411 1.00 0.00 H new ATOM 0 HG3 PRO B1106 -7.259 -4.804 6.518 1.00 0.00 H new ATOM 0 HD2 PRO B1106 -5.175 -2.847 5.553 1.00 0.00 H new ATOM 0 HD3 PRO B1106 -6.881 -2.580 5.851 1.00 0.00 H new ATOM 87 N PRO B1107 -3.652 -4.645 10.032 1.00 0.00 N ATOM 88 CA PRO B1107 -2.371 -4.618 10.746 1.00 0.00 C ATOM 89 C PRO B1107 -1.196 -5.021 9.860 1.00 0.00 C ATOM 90 O PRO B1107 -1.378 -5.661 8.824 1.00 0.00 O ATOM 91 CB PRO B1107 -2.572 -5.645 11.861 1.00 0.00 C ATOM 92 CG PRO B1107 -3.565 -6.606 11.306 1.00 0.00 C ATOM 93 CD PRO B1107 -4.484 -5.797 10.433 1.00 0.00 C ATOM 0 HA PRO B1107 -2.125 -3.617 11.101 1.00 0.00 H new ATOM 0 HB2 PRO B1107 -1.637 -6.143 12.116 1.00 0.00 H new ATOM 0 HB3 PRO B1107 -2.941 -5.175 12.772 1.00 0.00 H new ATOM 0 HG2 PRO B1107 -3.071 -7.389 10.731 1.00 0.00 H new ATOM 0 HG3 PRO B1107 -4.119 -7.099 12.105 1.00 0.00 H new ATOM 0 HD2 PRO B1107 -4.822 -6.368 9.568 1.00 0.00 H new ATOM 0 HD3 PRO B1107 -5.375 -5.479 10.974 1.00 0.00 H new ATOM 101 N LEU B1108 0.008 -4.641 10.276 1.00 0.00 N ATOM 102 CA LEU B1108 1.217 -4.963 9.525 1.00 0.00 C ATOM 103 C LEU B1108 1.871 -6.230 10.072 1.00 0.00 C ATOM 104 O LEU B1108 1.846 -6.481 11.277 1.00 0.00 O ATOM 105 CB LEU B1108 2.207 -3.796 9.589 1.00 0.00 C ATOM 106 CG LEU B1108 2.193 -2.862 8.377 1.00 0.00 C ATOM 107 CD1 LEU B1108 3.147 -1.695 8.590 1.00 0.00 C ATOM 108 CD2 LEU B1108 2.557 -3.624 7.112 1.00 0.00 C ATOM 0 H LEU B1108 0.173 -4.109 11.130 1.00 0.00 H new ATOM 0 HA LEU B1108 0.937 -5.137 8.486 1.00 0.00 H new ATOM 0 HB2 LEU B1108 1.994 -3.209 10.482 1.00 0.00 H new ATOM 0 HB3 LEU B1108 3.213 -4.200 9.705 1.00 0.00 H new ATOM 0 HG LEU B1108 1.185 -2.465 8.261 1.00 0.00 H new ATOM 0 HD11 LEU B1108 3.123 -1.042 7.718 1.00 0.00 H new ATOM 0 HD12 LEU B1108 2.843 -1.133 9.473 1.00 0.00 H new ATOM 0 HD13 LEU B1108 4.159 -2.074 8.732 1.00 0.00 H new ATOM 0 HD21 LEU B1108 2.542 -2.944 6.260 1.00 0.00 H new ATOM 0 HD22 LEU B1108 3.555 -4.050 7.218 1.00 0.00 H new ATOM 0 HD23 LEU B1108 1.836 -4.425 6.949 1.00 0.00 H new ATOM 120 N ILE B1109 2.459 -7.022 9.180 1.00 0.00 N ATOM 121 CA ILE B1109 3.124 -8.258 9.581 1.00 0.00 C ATOM 122 C ILE B1109 4.624 -8.181 9.318 1.00 0.00 C ATOM 123 O ILE B1109 5.052 -7.951 8.187 1.00 0.00 O ATOM 124 CB ILE B1109 2.544 -9.489 8.845 1.00 0.00 C ATOM 125 CG1 ILE B1109 2.045 -9.108 7.451 1.00 0.00 C ATOM 126 CG2 ILE B1109 1.415 -10.105 9.656 1.00 0.00 C ATOM 127 CD1 ILE B1109 1.684 -10.301 6.592 1.00 0.00 C ATOM 0 H ILE B1109 2.489 -6.831 8.178 1.00 0.00 H new ATOM 0 HA ILE B1109 2.947 -8.376 10.650 1.00 0.00 H new ATOM 0 HB ILE B1109 3.341 -10.224 8.733 1.00 0.00 H new ATOM 0 HG12 ILE B1109 1.171 -8.464 7.550 1.00 0.00 H new ATOM 0 HG13 ILE B1109 2.815 -8.525 6.945 1.00 0.00 H new ATOM 0 HG21 ILE B1109 1.016 -10.970 9.126 1.00 0.00 H new ATOM 0 HG22 ILE B1109 1.795 -10.418 10.629 1.00 0.00 H new ATOM 0 HG23 ILE B1109 0.624 -9.369 9.796 1.00 0.00 H new ATOM 0 HD11 ILE B1109 1.338 -9.956 5.618 1.00 0.00 H new ATOM 0 HD12 ILE B1109 2.561 -10.935 6.462 1.00 0.00 H new ATOM 0 HD13 ILE B1109 0.892 -10.872 7.077 1.00 0.00 H new ATOM 139 N SER B1110 5.418 -8.376 10.365 1.00 0.00 N ATOM 140 CA SER B1110 6.870 -8.327 10.239 1.00 0.00 C ATOM 141 C SER B1110 7.436 -9.707 9.922 1.00 0.00 C ATOM 142 O SER B1110 7.119 -10.688 10.593 1.00 0.00 O ATOM 143 CB SER B1110 7.499 -7.788 11.524 1.00 0.00 C ATOM 144 OG SER B1110 7.087 -8.541 12.650 1.00 0.00 O ATOM 0 H SER B1110 5.082 -8.569 11.308 1.00 0.00 H new ATOM 0 HA SER B1110 7.114 -7.656 9.416 1.00 0.00 H new ATOM 0 HB2 SER B1110 8.585 -7.818 11.441 1.00 0.00 H new ATOM 0 HB3 SER B1110 7.218 -6.743 11.659 1.00 0.00 H new ATOM 0 HG SER B1110 6.908 -9.465 12.378 1.00 0.00 H new ATOM 150 N SER B1111 8.277 -9.773 8.895 1.00 0.00 N ATOM 151 CA SER B1111 8.889 -11.033 8.487 1.00 0.00 C ATOM 152 C SER B1111 10.410 -10.920 8.474 1.00 0.00 C ATOM 153 O SER B1111 10.976 -10.107 7.744 1.00 0.00 O ATOM 154 CB SER B1111 8.384 -11.444 7.102 1.00 0.00 C ATOM 155 OG SER B1111 8.821 -10.532 6.110 1.00 0.00 O ATOM 0 H SER B1111 8.550 -8.969 8.330 1.00 0.00 H new ATOM 0 HA SER B1111 8.606 -11.797 9.211 1.00 0.00 H new ATOM 0 HB2 SER B1111 8.742 -12.445 6.863 1.00 0.00 H new ATOM 0 HB3 SER B1111 7.295 -11.487 7.106 1.00 0.00 H new ATOM 0 HG SER B1111 9.680 -10.143 6.378 1.00 0.00 H new ATOM 161 N ALA B1112 11.066 -11.742 9.288 1.00 0.00 N ATOM 162 CA ALA B1112 12.522 -11.734 9.370 1.00 0.00 C ATOM 163 C ALA B1112 13.045 -13.031 9.977 1.00 0.00 C ATOM 164 O ALA B1112 13.169 -13.151 11.196 1.00 0.00 O ATOM 165 CB ALA B1112 12.997 -10.539 10.182 1.00 0.00 C ATOM 0 H ALA B1112 10.613 -12.421 9.899 1.00 0.00 H new ATOM 0 HA ALA B1112 12.918 -11.653 8.358 1.00 0.00 H new ATOM 0 HB1 ALA B1112 14.086 -10.545 10.235 1.00 0.00 H new ATOM 0 HB2 ALA B1112 12.662 -9.618 9.704 1.00 0.00 H new ATOM 0 HB3 ALA B1112 12.584 -10.596 11.189 1.00 0.00 H new ATOM 171 N LYS B1113 13.351 -14.000 9.120 1.00 0.00 N ATOM 172 CA LYS B1113 13.860 -15.289 9.574 1.00 0.00 C ATOM 173 C LYS B1113 15.257 -15.142 10.168 1.00 0.00 C ATOM 174 O LYS B1113 16.252 -15.123 9.444 1.00 0.00 O ATOM 175 CB LYS B1113 13.890 -16.287 8.413 1.00 0.00 C ATOM 176 CG LYS B1113 12.536 -16.490 7.751 1.00 0.00 C ATOM 177 CD LYS B1113 12.533 -15.990 6.316 1.00 0.00 C ATOM 178 CE LYS B1113 11.324 -16.504 5.549 1.00 0.00 C ATOM 179 NZ LYS B1113 11.389 -17.975 5.330 1.00 0.00 N ATOM 0 H LYS B1113 13.255 -13.917 8.108 1.00 0.00 H new ATOM 0 HA LYS B1113 13.191 -15.663 10.349 1.00 0.00 H new ATOM 0 HB2 LYS B1113 14.603 -15.940 7.665 1.00 0.00 H new ATOM 0 HB3 LYS B1113 14.254 -17.247 8.779 1.00 0.00 H new ATOM 0 HG2 LYS B1113 12.277 -17.549 7.768 1.00 0.00 H new ATOM 0 HG3 LYS B1113 11.769 -15.965 8.321 1.00 0.00 H new ATOM 0 HD2 LYS B1113 12.533 -14.900 6.309 1.00 0.00 H new ATOM 0 HD3 LYS B1113 13.446 -16.312 5.816 1.00 0.00 H new ATOM 0 HE2 LYS B1113 10.415 -16.259 6.098 1.00 0.00 H new ATOM 0 HE3 LYS B1113 11.262 -15.996 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS B1113 10.761 -18.237 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS B1113 12.365 -18.249 5.099 1.00 0.00 H new ATOM 0 HZ3 LYS B1113 11.086 -18.468 6.194 1.00 0.00 H new TER 193 LYS B1113 ATOM 194 N ASP A 658 11.808 -7.652 -9.419 1.00 0.00 N ATOM 195 CA ASP A 658 12.167 -8.298 -8.161 1.00 0.00 C ATOM 196 C ASP A 658 12.517 -7.262 -7.098 1.00 0.00 C ATOM 197 O ASP A 658 13.664 -6.824 -6.996 1.00 0.00 O ATOM 198 CB ASP A 658 13.348 -9.248 -8.372 1.00 0.00 C ATOM 199 CG ASP A 658 13.288 -10.455 -7.456 1.00 0.00 C ATOM 200 OD1 ASP A 658 13.258 -10.262 -6.222 1.00 0.00 O ATOM 201 OD2 ASP A 658 13.273 -11.592 -7.971 1.00 0.00 O ATOM 0 HA ASP A 658 11.306 -8.870 -7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 658 13.361 -9.583 -9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 658 14.280 -8.710 -8.199 1.00 0.00 H new ATOM 206 N SER A 659 11.522 -6.874 -6.307 1.00 0.00 N ATOM 207 CA SER A 659 11.725 -5.890 -5.250 1.00 0.00 C ATOM 208 C SER A 659 10.758 -6.126 -4.094 1.00 0.00 C ATOM 209 O SER A 659 9.735 -5.450 -3.979 1.00 0.00 O ATOM 210 CB SER A 659 11.543 -4.474 -5.802 1.00 0.00 C ATOM 211 OG SER A 659 12.082 -4.361 -7.107 1.00 0.00 O ATOM 0 H SER A 659 10.567 -7.226 -6.378 1.00 0.00 H new ATOM 0 HA SER A 659 12.743 -5.999 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 659 10.483 -4.221 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 659 12.030 -3.757 -5.141 1.00 0.00 H new ATOM 0 HG SER A 659 11.951 -3.448 -7.437 1.00 0.00 H new ATOM 217 N SER A 660 11.088 -7.090 -3.242 1.00 0.00 N ATOM 218 CA SER A 660 10.249 -7.417 -2.095 1.00 0.00 C ATOM 219 C SER A 660 10.727 -6.687 -0.843 1.00 0.00 C ATOM 220 O SER A 660 9.931 -6.355 0.035 1.00 0.00 O ATOM 221 CB SER A 660 10.250 -8.926 -1.850 1.00 0.00 C ATOM 222 OG SER A 660 9.181 -9.556 -2.535 1.00 0.00 O ATOM 0 H SER A 660 11.931 -7.659 -3.324 1.00 0.00 H new ATOM 0 HA SER A 660 9.233 -7.092 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 660 11.198 -9.350 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 660 10.168 -9.124 -0.781 1.00 0.00 H new ATOM 0 HG SER A 660 9.205 -10.520 -2.363 1.00 0.00 H new ATOM 228 N GLU A 661 12.030 -6.440 -0.768 1.00 0.00 N ATOM 229 CA GLU A 661 12.614 -5.750 0.376 1.00 0.00 C ATOM 230 C GLU A 661 12.775 -4.261 0.089 1.00 0.00 C ATOM 231 O GLU A 661 13.877 -3.788 -0.194 1.00 0.00 O ATOM 232 CB GLU A 661 13.969 -6.364 0.731 1.00 0.00 C ATOM 233 CG GLU A 661 13.864 -7.698 1.450 1.00 0.00 C ATOM 234 CD GLU A 661 15.128 -8.527 1.328 1.00 0.00 C ATOM 235 OE1 GLU A 661 15.889 -8.310 0.362 1.00 0.00 O ATOM 236 OE2 GLU A 661 15.357 -9.393 2.200 1.00 0.00 O ATOM 0 H GLU A 661 12.702 -6.708 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 661 11.938 -5.866 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 661 14.548 -6.498 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 661 14.522 -5.665 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 661 13.649 -7.523 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 661 13.024 -8.261 1.043 1.00 0.00 H new ATOM 243 N SER A 662 11.672 -3.525 0.167 1.00 0.00 N ATOM 244 CA SER A 662 11.693 -2.088 -0.082 1.00 0.00 C ATOM 245 C SER A 662 10.370 -1.445 0.324 1.00 0.00 C ATOM 246 O SER A 662 9.297 -1.936 -0.025 1.00 0.00 O ATOM 247 CB SER A 662 11.981 -1.808 -1.558 1.00 0.00 C ATOM 248 OG SER A 662 11.590 -2.901 -2.371 1.00 0.00 O ATOM 0 H SER A 662 10.752 -3.899 0.401 1.00 0.00 H new ATOM 0 HA SER A 662 12.487 -1.652 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 662 11.449 -0.909 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 662 13.045 -1.612 -1.693 1.00 0.00 H new ATOM 0 HG SER A 662 11.633 -2.639 -3.314 1.00 0.00 H new ATOM 254 N CYS A 663 10.456 -0.345 1.064 1.00 0.00 N ATOM 255 CA CYS A 663 9.271 0.368 1.523 1.00 0.00 C ATOM 256 C CYS A 663 8.537 1.019 0.354 1.00 0.00 C ATOM 257 O CYS A 663 9.125 1.777 -0.416 1.00 0.00 O ATOM 258 CB CYS A 663 9.674 1.432 2.542 1.00 0.00 C ATOM 259 SG CYS A 663 8.329 1.993 3.610 1.00 0.00 S ATOM 0 H CYS A 663 11.338 0.073 1.359 1.00 0.00 H new ATOM 0 HA CYS A 663 8.597 -0.349 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 663 10.475 1.035 3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 663 10.081 2.292 2.009 1.00 0.00 H new ATOM 264 N TRP A 664 7.248 0.718 0.229 1.00 0.00 N ATOM 265 CA TRP A 664 6.433 1.272 -0.847 1.00 0.00 C ATOM 266 C TRP A 664 6.323 2.794 -0.741 1.00 0.00 C ATOM 267 O TRP A 664 5.998 3.472 -1.715 1.00 0.00 O ATOM 268 CB TRP A 664 5.032 0.652 -0.828 1.00 0.00 C ATOM 269 CG TRP A 664 5.004 -0.779 -1.269 1.00 0.00 C ATOM 270 CD1 TRP A 664 5.994 -1.706 -1.104 1.00 0.00 C ATOM 271 CD2 TRP A 664 3.931 -1.451 -1.946 1.00 0.00 C ATOM 272 NE1 TRP A 664 5.603 -2.912 -1.636 1.00 0.00 N ATOM 273 CE2 TRP A 664 4.343 -2.780 -2.158 1.00 0.00 C ATOM 274 CE3 TRP A 664 2.663 -1.061 -2.392 1.00 0.00 C ATOM 275 CZ2 TRP A 664 3.535 -3.719 -2.796 1.00 0.00 C ATOM 276 CZ3 TRP A 664 1.863 -1.994 -3.024 1.00 0.00 C ATOM 277 CH2 TRP A 664 2.301 -3.309 -3.220 1.00 0.00 C ATOM 0 H TRP A 664 6.745 0.093 0.860 1.00 0.00 H new ATOM 0 HA TRP A 664 6.925 1.030 -1.789 1.00 0.00 H new ATOM 0 HB2 TRP A 664 4.627 0.720 0.182 1.00 0.00 H new ATOM 0 HB3 TRP A 664 4.377 1.236 -1.474 1.00 0.00 H new ATOM 0 HD1 TRP A 664 6.944 -1.519 -0.626 1.00 0.00 H new ATOM 0 HE1 TRP A 664 6.160 -3.766 -1.641 1.00 0.00 H new ATOM 0 HE3 TRP A 664 2.316 -0.049 -2.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 664 3.871 -4.734 -2.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 664 0.883 -1.704 -3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 664 1.651 -4.014 -3.716 1.00 0.00 H new ATOM 288 N ASN A 665 6.586 3.324 0.454 1.00 0.00 N ATOM 289 CA ASN A 665 6.506 4.762 0.696 1.00 0.00 C ATOM 290 C ASN A 665 7.895 5.403 0.731 1.00 0.00 C ATOM 291 O ASN A 665 8.214 6.262 -0.092 1.00 0.00 O ATOM 292 CB ASN A 665 5.774 5.027 2.019 1.00 0.00 C ATOM 293 CG ASN A 665 6.064 6.404 2.592 1.00 0.00 C ATOM 294 OD1 ASN A 665 5.869 7.421 1.928 1.00 0.00 O ATOM 295 ND2 ASN A 665 6.541 6.439 3.830 1.00 0.00 N ATOM 0 H ASN A 665 6.857 2.776 1.270 1.00 0.00 H new ATOM 0 HA ASN A 665 5.950 5.212 -0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 665 4.700 4.924 1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 665 6.063 4.268 2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 665 6.761 7.334 4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 665 6.687 5.571 4.345 1.00 0.00 H new ATOM 302 N CYS A 666 8.710 4.990 1.698 1.00 0.00 N ATOM 303 CA CYS A 666 10.056 5.534 1.853 1.00 0.00 C ATOM 304 C CYS A 666 10.871 5.393 0.571 1.00 0.00 C ATOM 305 O CYS A 666 11.307 6.390 -0.005 1.00 0.00 O ATOM 306 CB CYS A 666 10.781 4.845 3.012 1.00 0.00 C ATOM 307 SG CYS A 666 10.181 5.328 4.648 1.00 0.00 S ATOM 0 H CYS A 666 8.461 4.280 2.387 1.00 0.00 H new ATOM 0 HA CYS A 666 9.956 6.597 2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 666 10.676 3.766 2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 666 11.845 5.070 2.946 1.00 0.00 H new ATOM 312 N GLY A 667 11.084 4.157 0.127 1.00 0.00 N ATOM 313 CA GLY A 667 11.853 3.931 -1.081 1.00 0.00 C ATOM 314 C GLY A 667 13.278 3.502 -0.786 1.00 0.00 C ATOM 315 O GLY A 667 14.167 3.663 -1.622 1.00 0.00 O ATOM 0 H GLY A 667 10.738 3.312 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 667 11.363 3.166 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 667 11.867 4.844 -1.676 1.00 0.00 H new ATOM 319 N ARG A 668 13.495 2.954 0.407 1.00 0.00 N ATOM 320 CA ARG A 668 14.821 2.501 0.811 1.00 0.00 C ATOM 321 C ARG A 668 14.788 1.036 1.233 1.00 0.00 C ATOM 322 O ARG A 668 15.463 0.193 0.641 1.00 0.00 O ATOM 323 CB ARG A 668 15.351 3.363 1.958 1.00 0.00 C ATOM 324 CG ARG A 668 16.868 3.468 1.990 1.00 0.00 C ATOM 325 CD ARG A 668 17.429 3.077 3.348 1.00 0.00 C ATOM 326 NE ARG A 668 17.706 1.645 3.434 1.00 0.00 N ATOM 327 CZ ARG A 668 18.508 1.099 4.346 1.00 0.00 C ATOM 328 NH1 ARG A 668 19.110 1.860 5.252 1.00 0.00 N ATOM 329 NH2 ARG A 668 18.706 -0.212 4.354 1.00 0.00 N ATOM 0 H ARG A 668 12.769 2.813 1.110 1.00 0.00 H new ATOM 0 HA ARG A 668 15.488 2.600 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 668 14.928 4.364 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 668 15.004 2.948 2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 668 17.294 2.824 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 668 17.167 4.489 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 668 18.346 3.636 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 668 16.720 3.357 4.127 1.00 0.00 H new ATOM 0 HE ARG A 668 17.259 1.028 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 668 18.959 2.869 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 668 19.723 1.436 5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 668 18.244 -0.802 3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 668 19.320 -0.631 5.052 1.00 0.00 H new ATOM 343 N LYS A 669 13.997 0.738 2.259 1.00 0.00 N ATOM 344 CA LYS A 669 13.876 -0.626 2.757 1.00 0.00 C ATOM 345 C LYS A 669 12.653 -0.778 3.658 1.00 0.00 C ATOM 346 O LYS A 669 12.207 0.184 4.286 1.00 0.00 O ATOM 347 CB LYS A 669 15.145 -1.030 3.516 1.00 0.00 C ATOM 348 CG LYS A 669 15.261 -0.405 4.899 1.00 0.00 C ATOM 349 CD LYS A 669 14.534 -1.234 5.946 1.00 0.00 C ATOM 350 CE LYS A 669 15.508 -1.967 6.856 1.00 0.00 C ATOM 351 NZ LYS A 669 15.221 -3.428 6.914 1.00 0.00 N ATOM 0 H LYS A 669 13.431 1.423 2.761 1.00 0.00 H new ATOM 0 HA LYS A 669 13.749 -1.287 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 669 15.167 -2.115 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 669 16.016 -0.746 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 669 16.312 -0.313 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 669 14.848 0.603 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 669 13.894 -0.585 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 669 13.883 -1.956 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 669 16.526 -1.811 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 669 15.454 -1.546 7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 16.015 -3.920 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 14.351 -3.589 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 15.097 -3.796 5.949 1.00 0.00 H new ATOM 365 N ALA A 670 12.118 -1.992 3.719 1.00 0.00 N ATOM 366 CA ALA A 670 10.950 -2.278 4.544 1.00 0.00 C ATOM 367 C ALA A 670 11.046 -3.662 5.176 1.00 0.00 C ATOM 368 O ALA A 670 11.558 -4.599 4.562 1.00 0.00 O ATOM 369 CB ALA A 670 9.679 -2.161 3.715 1.00 0.00 C ATOM 0 H ALA A 670 12.476 -2.797 3.205 1.00 0.00 H new ATOM 0 HA ALA A 670 10.917 -1.544 5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 670 8.814 -2.377 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 670 9.596 -1.149 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 670 9.716 -2.873 2.890 1.00 0.00 H new ATOM 375 N SER A 671 10.562 -3.785 6.410 1.00 0.00 N ATOM 376 CA SER A 671 10.604 -5.055 7.128 1.00 0.00 C ATOM 377 C SER A 671 9.203 -5.537 7.506 1.00 0.00 C ATOM 378 O SER A 671 9.044 -6.640 8.031 1.00 0.00 O ATOM 379 CB SER A 671 11.461 -4.919 8.388 1.00 0.00 C ATOM 380 OG SER A 671 12.810 -5.266 8.127 1.00 0.00 O ATOM 0 H SER A 671 10.136 -3.020 6.933 1.00 0.00 H new ATOM 0 HA SER A 671 11.047 -5.796 6.462 1.00 0.00 H new ATOM 0 HB2 SER A 671 11.411 -3.895 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 671 11.063 -5.561 9.174 1.00 0.00 H new ATOM 0 HG SER A 671 13.337 -5.169 8.947 1.00 0.00 H new ATOM 386 N GLU A 672 8.190 -4.718 7.237 1.00 0.00 N ATOM 387 CA GLU A 672 6.813 -5.084 7.555 1.00 0.00 C ATOM 388 C GLU A 672 6.025 -5.359 6.279 1.00 0.00 C ATOM 389 O GLU A 672 6.397 -4.906 5.197 1.00 0.00 O ATOM 390 CB GLU A 672 6.125 -3.981 8.366 1.00 0.00 C ATOM 391 CG GLU A 672 7.038 -3.282 9.364 1.00 0.00 C ATOM 392 CD GLU A 672 7.086 -3.989 10.704 1.00 0.00 C ATOM 393 OE1 GLU A 672 6.097 -4.669 11.053 1.00 0.00 O ATOM 394 OE2 GLU A 672 8.112 -3.864 11.405 1.00 0.00 O ATOM 0 H GLU A 672 8.295 -3.801 6.802 1.00 0.00 H new ATOM 0 HA GLU A 672 6.839 -5.991 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 672 5.720 -3.238 7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 672 5.280 -4.413 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 672 8.045 -3.225 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 672 6.695 -2.258 9.510 1.00 0.00 H new ATOM 401 N THR A 673 4.948 -6.122 6.413 1.00 0.00 N ATOM 402 CA THR A 673 4.118 -6.483 5.271 1.00 0.00 C ATOM 403 C THR A 673 2.638 -6.253 5.562 1.00 0.00 C ATOM 404 O THR A 673 2.154 -6.541 6.655 1.00 0.00 O ATOM 405 CB THR A 673 4.360 -7.947 4.888 1.00 0.00 C ATOM 406 OG1 THR A 673 5.697 -8.138 4.465 1.00 0.00 O ATOM 407 CG2 THR A 673 3.455 -8.440 3.778 1.00 0.00 C ATOM 0 H THR A 673 4.628 -6.504 7.303 1.00 0.00 H new ATOM 0 HA THR A 673 4.398 -5.841 4.436 1.00 0.00 H new ATOM 0 HB THR A 673 4.142 -8.518 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 673 6.060 -8.947 4.883 1.00 0.00 H new ATOM 0 HG21 THR A 673 3.682 -9.483 3.560 1.00 0.00 H new ATOM 0 HG22 THR A 673 2.415 -8.353 4.091 1.00 0.00 H new ATOM 0 HG23 THR A 673 3.616 -7.839 2.883 1.00 0.00 H new ATOM 415 N CYS A 674 1.922 -5.736 4.572 1.00 0.00 N ATOM 416 CA CYS A 674 0.495 -5.477 4.717 1.00 0.00 C ATOM 417 C CYS A 674 -0.275 -6.793 4.799 1.00 0.00 C ATOM 418 O CYS A 674 -0.424 -7.501 3.804 1.00 0.00 O ATOM 419 CB CYS A 674 -0.006 -4.642 3.537 1.00 0.00 C ATOM 420 SG CYS A 674 -1.786 -4.331 3.546 1.00 0.00 S ATOM 0 H CYS A 674 2.306 -5.488 3.660 1.00 0.00 H new ATOM 0 HA CYS A 674 0.329 -4.920 5.639 1.00 0.00 H new ATOM 0 HB2 CYS A 674 0.518 -3.686 3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 674 0.257 -5.151 2.610 1.00 0.00 H new ATOM 425 N SER A 675 -0.754 -7.116 5.998 1.00 0.00 N ATOM 426 CA SER A 675 -1.499 -8.352 6.223 1.00 0.00 C ATOM 427 C SER A 675 -2.850 -8.345 5.508 1.00 0.00 C ATOM 428 O SER A 675 -3.521 -9.375 5.432 1.00 0.00 O ATOM 429 CB SER A 675 -1.706 -8.578 7.721 1.00 0.00 C ATOM 430 OG SER A 675 -2.751 -7.761 8.220 1.00 0.00 O ATOM 0 H SER A 675 -0.639 -6.538 6.830 1.00 0.00 H new ATOM 0 HA SER A 675 -0.908 -9.168 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 675 -1.940 -9.626 7.905 1.00 0.00 H new ATOM 0 HB3 SER A 675 -0.782 -8.359 8.256 1.00 0.00 H new ATOM 0 HG SER A 675 -2.376 -6.922 8.562 1.00 0.00 H new ATOM 436 N GLY A 676 -3.248 -7.190 4.982 1.00 0.00 N ATOM 437 CA GLY A 676 -4.517 -7.095 4.284 1.00 0.00 C ATOM 438 C GLY A 676 -4.465 -7.741 2.914 1.00 0.00 C ATOM 439 O GLY A 676 -5.286 -8.602 2.597 1.00 0.00 O ATOM 0 H GLY A 676 -2.716 -6.321 5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -5.295 -7.573 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -4.795 -6.046 4.179 1.00 0.00 H new ATOM 443 N CYS A 677 -3.494 -7.338 2.103 1.00 0.00 N ATOM 444 CA CYS A 677 -3.338 -7.897 0.766 1.00 0.00 C ATOM 445 C CYS A 677 -2.115 -8.814 0.691 1.00 0.00 C ATOM 446 O CYS A 677 -1.923 -9.526 -0.295 1.00 0.00 O ATOM 447 CB CYS A 677 -3.222 -6.779 -0.271 1.00 0.00 C ATOM 448 SG CYS A 677 -1.808 -5.682 -0.021 1.00 0.00 S ATOM 0 H CYS A 677 -2.804 -6.628 2.347 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.225 -8.492 0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -3.151 -7.225 -1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -4.136 -6.185 -0.253 1.00 0.00 H new ATOM 453 N ASN A 678 -1.287 -8.789 1.737 1.00 0.00 N ATOM 454 CA ASN A 678 -0.085 -9.617 1.787 1.00 0.00 C ATOM 455 C ASN A 678 0.860 -9.284 0.635 1.00 0.00 C ATOM 456 O ASN A 678 1.670 -10.117 0.225 1.00 0.00 O ATOM 457 CB ASN A 678 -0.460 -11.100 1.741 1.00 0.00 C ATOM 458 CG ASN A 678 -1.178 -11.553 2.997 1.00 0.00 C ATOM 459 OD1 ASN A 678 -2.271 -12.116 2.933 1.00 0.00 O ATOM 460 ND2 ASN A 678 -0.565 -11.308 4.150 1.00 0.00 N ATOM 0 H ASN A 678 -1.429 -8.204 2.560 1.00 0.00 H new ATOM 0 HA ASN A 678 0.429 -9.406 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 678 -1.096 -11.285 0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 678 0.442 -11.696 1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 678 -1.000 -11.589 5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 678 0.341 -10.839 4.156 1.00 0.00 H new ATOM 467 N THR A 679 0.742 -8.071 0.105 1.00 0.00 N ATOM 468 CA THR A 679 1.577 -7.644 -1.014 1.00 0.00 C ATOM 469 C THR A 679 2.372 -6.383 -0.686 1.00 0.00 C ATOM 470 O THR A 679 3.518 -6.230 -1.110 1.00 0.00 O ATOM 471 CB THR A 679 0.707 -7.399 -2.248 1.00 0.00 C ATOM 472 OG1 THR A 679 0.033 -8.584 -2.631 1.00 0.00 O ATOM 473 CG2 THR A 679 1.487 -6.905 -3.449 1.00 0.00 C ATOM 0 H THR A 679 0.079 -7.368 0.430 1.00 0.00 H new ATOM 0 HA THR A 679 2.291 -8.443 -1.215 1.00 0.00 H new ATOM 0 HB THR A 679 0.003 -6.622 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 679 -0.576 -8.860 -1.915 1.00 0.00 H new ATOM 0 HG21 THR A 679 0.807 -6.753 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 679 1.976 -5.963 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 679 2.240 -7.644 -3.723 1.00 0.00 H new ATOM 481 N ALA A 680 1.751 -5.480 0.061 1.00 0.00 N ATOM 482 CA ALA A 680 2.391 -4.224 0.437 1.00 0.00 C ATOM 483 C ALA A 680 3.473 -4.433 1.490 1.00 0.00 C ATOM 484 O ALA A 680 3.436 -5.394 2.257 1.00 0.00 O ATOM 485 CB ALA A 680 1.351 -3.236 0.942 1.00 0.00 C ATOM 0 H ALA A 680 0.803 -5.593 0.420 1.00 0.00 H new ATOM 0 HA ALA A 680 2.871 -3.819 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 680 1.841 -2.303 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 680 0.621 -3.043 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 680 0.845 -3.653 1.813 1.00 0.00 H new ATOM 491 N ARG A 681 4.432 -3.511 1.523 1.00 0.00 N ATOM 492 CA ARG A 681 5.527 -3.572 2.482 1.00 0.00 C ATOM 493 C ARG A 681 5.821 -2.184 3.042 1.00 0.00 C ATOM 494 O ARG A 681 5.765 -1.190 2.319 1.00 0.00 O ATOM 495 CB ARG A 681 6.782 -4.139 1.816 1.00 0.00 C ATOM 496 CG ARG A 681 6.639 -5.589 1.383 1.00 0.00 C ATOM 497 CD ARG A 681 7.152 -6.542 2.450 1.00 0.00 C ATOM 498 NE ARG A 681 8.578 -6.824 2.293 1.00 0.00 N ATOM 499 CZ ARG A 681 9.177 -7.916 2.765 1.00 0.00 C ATOM 500 NH1 ARG A 681 8.481 -8.831 3.428 1.00 0.00 N ATOM 501 NH2 ARG A 681 10.478 -8.092 2.575 1.00 0.00 N ATOM 0 H ARG A 681 4.471 -2.710 0.893 1.00 0.00 H new ATOM 0 HA ARG A 681 5.232 -4.228 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 681 7.027 -3.531 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 681 7.620 -4.056 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 681 5.592 -5.806 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 681 7.189 -5.749 0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 681 6.974 -6.112 3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 681 6.591 -7.475 2.403 1.00 0.00 H new ATOM 0 HE ARG A 681 9.149 -6.143 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 681 7.481 -8.700 3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 681 8.946 -9.665 3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 681 11.019 -7.391 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 681 10.938 -8.928 2.936 1.00 0.00 H new ATOM 515 N TYR A 682 6.136 -2.120 4.332 1.00 0.00 N ATOM 516 CA TYR A 682 6.440 -0.849 4.980 1.00 0.00 C ATOM 517 C TYR A 682 7.382 -1.057 6.161 1.00 0.00 C ATOM 518 O TYR A 682 7.347 -2.096 6.818 1.00 0.00 O ATOM 519 CB TYR A 682 5.152 -0.170 5.449 1.00 0.00 C ATOM 520 CG TYR A 682 4.260 0.282 4.315 1.00 0.00 C ATOM 521 CD1 TYR A 682 4.535 1.448 3.612 1.00 0.00 C ATOM 522 CD2 TYR A 682 3.143 -0.459 3.945 1.00 0.00 C ATOM 523 CE1 TYR A 682 3.723 1.865 2.573 1.00 0.00 C ATOM 524 CE2 TYR A 682 2.327 -0.049 2.908 1.00 0.00 C ATOM 525 CZ TYR A 682 2.621 1.113 2.225 1.00 0.00 C ATOM 526 OH TYR A 682 1.810 1.524 1.193 1.00 0.00 O ATOM 0 H TYR A 682 6.187 -2.931 4.948 1.00 0.00 H new ATOM 0 HA TYR A 682 6.934 -0.205 4.253 1.00 0.00 H new ATOM 0 HB2 TYR A 682 4.597 -0.861 6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 682 5.409 0.692 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 682 5.398 2.039 3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 682 2.910 -1.370 4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 682 3.951 2.775 2.037 1.00 0.00 H new ATOM 0 HE2 TYR A 682 1.463 -0.636 2.633 1.00 0.00 H new ATOM 0 HH TYR A 682 1.079 0.882 1.076 1.00 0.00 H new ATOM 536 N CYS A 683 8.226 -0.067 6.428 1.00 0.00 N ATOM 537 CA CYS A 683 9.172 -0.153 7.532 1.00 0.00 C ATOM 538 C CYS A 683 8.587 0.447 8.809 1.00 0.00 C ATOM 539 O CYS A 683 9.062 0.161 9.908 1.00 0.00 O ATOM 540 CB CYS A 683 10.487 0.543 7.169 1.00 0.00 C ATOM 541 SG CYS A 683 10.370 2.340 7.027 1.00 0.00 S ATOM 0 H CYS A 683 8.274 0.802 5.896 1.00 0.00 H new ATOM 0 HA CYS A 683 9.374 -1.208 7.717 1.00 0.00 H new ATOM 0 HB2 CYS A 683 11.233 0.299 7.925 1.00 0.00 H new ATOM 0 HB3 CYS A 683 10.848 0.139 6.223 1.00 0.00 H new ATOM 546 N GLY A 684 7.555 1.280 8.667 1.00 0.00 N ATOM 547 CA GLY A 684 6.941 1.893 9.829 1.00 0.00 C ATOM 548 C GLY A 684 5.469 2.187 9.621 1.00 0.00 C ATOM 549 O GLY A 684 5.032 2.440 8.498 1.00 0.00 O ATOM 0 H GLY A 684 7.138 1.538 7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 684 7.058 1.233 10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 684 7.463 2.820 10.065 1.00 0.00 H new ATOM 553 N SER A 685 4.702 2.150 10.706 1.00 0.00 N ATOM 554 CA SER A 685 3.266 2.408 10.645 1.00 0.00 C ATOM 555 C SER A 685 2.960 3.669 9.839 1.00 0.00 C ATOM 556 O SER A 685 1.988 3.712 9.086 1.00 0.00 O ATOM 557 CB SER A 685 2.692 2.542 12.056 1.00 0.00 C ATOM 558 OG SER A 685 3.637 3.122 12.939 1.00 0.00 O ATOM 0 H SER A 685 5.052 1.943 11.642 1.00 0.00 H new ATOM 0 HA SER A 685 2.797 1.562 10.143 1.00 0.00 H new ATOM 0 HB2 SER A 685 1.791 3.155 12.029 1.00 0.00 H new ATOM 0 HB3 SER A 685 2.398 1.560 12.427 1.00 0.00 H new ATOM 0 HG SER A 685 3.245 3.198 13.834 1.00 0.00 H new ATOM 564 N PHE A 686 3.792 4.694 10.001 1.00 0.00 N ATOM 565 CA PHE A 686 3.598 5.948 9.283 1.00 0.00 C ATOM 566 C PHE A 686 3.752 5.743 7.780 1.00 0.00 C ATOM 567 O PHE A 686 3.050 6.370 6.985 1.00 0.00 O ATOM 568 CB PHE A 686 4.575 7.017 9.782 1.00 0.00 C ATOM 569 CG PHE A 686 6.018 6.715 9.490 1.00 0.00 C ATOM 570 CD1 PHE A 686 6.737 5.852 10.300 1.00 0.00 C ATOM 571 CD2 PHE A 686 6.657 7.302 8.410 1.00 0.00 C ATOM 572 CE1 PHE A 686 8.067 5.578 10.037 1.00 0.00 C ATOM 573 CE2 PHE A 686 7.985 7.034 8.142 1.00 0.00 C ATOM 574 CZ PHE A 686 8.691 6.171 8.956 1.00 0.00 C ATOM 0 H PHE A 686 4.603 4.681 10.620 1.00 0.00 H new ATOM 0 HA PHE A 686 2.583 6.293 9.478 1.00 0.00 H new ATOM 0 HB2 PHE A 686 4.315 7.972 9.326 1.00 0.00 H new ATOM 0 HB3 PHE A 686 4.450 7.134 10.859 1.00 0.00 H new ATOM 0 HD1 PHE A 686 6.254 5.388 11.147 1.00 0.00 H new ATOM 0 HD2 PHE A 686 6.110 7.978 7.770 1.00 0.00 H new ATOM 0 HE1 PHE A 686 8.617 4.902 10.675 1.00 0.00 H new ATOM 0 HE2 PHE A 686 8.471 7.499 7.297 1.00 0.00 H new ATOM 0 HZ PHE A 686 9.730 5.960 8.748 1.00 0.00 H new ATOM 584 N CYS A 687 4.675 4.869 7.389 1.00 0.00 N ATOM 585 CA CYS A 687 4.913 4.598 5.977 1.00 0.00 C ATOM 586 C CYS A 687 3.689 3.970 5.325 1.00 0.00 C ATOM 587 O CYS A 687 3.299 4.346 4.219 1.00 0.00 O ATOM 588 CB CYS A 687 6.122 3.681 5.812 1.00 0.00 C ATOM 589 SG CYS A 687 7.599 4.265 6.671 1.00 0.00 S ATOM 0 H CYS A 687 5.268 4.339 8.028 1.00 0.00 H new ATOM 0 HA CYS A 687 5.114 5.547 5.481 1.00 0.00 H new ATOM 0 HB2 CYS A 687 5.867 2.688 6.181 1.00 0.00 H new ATOM 0 HB3 CYS A 687 6.347 3.578 4.750 1.00 0.00 H new ATOM 594 N GLN A 688 3.087 3.009 6.014 1.00 0.00 N ATOM 595 CA GLN A 688 1.909 2.328 5.497 1.00 0.00 C ATOM 596 C GLN A 688 0.748 3.312 5.325 1.00 0.00 C ATOM 597 O GLN A 688 0.014 3.252 4.340 1.00 0.00 O ATOM 598 CB GLN A 688 1.531 1.154 6.418 1.00 0.00 C ATOM 599 CG GLN A 688 0.402 1.439 7.397 1.00 0.00 C ATOM 600 CD GLN A 688 -0.951 1.063 6.834 1.00 0.00 C ATOM 601 OE1 GLN A 688 -1.582 1.846 6.125 1.00 0.00 O ATOM 602 NE2 GLN A 688 -1.401 -0.146 7.143 1.00 0.00 N ATOM 0 H GLN A 688 3.395 2.685 6.931 1.00 0.00 H new ATOM 0 HA GLN A 688 2.137 1.921 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 688 1.248 0.303 5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 688 2.414 0.857 6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 688 0.576 0.886 8.320 1.00 0.00 H new ATOM 0 HG3 GLN A 688 0.405 2.498 7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 688 -0.843 -0.762 7.735 1.00 0.00 H new ATOM 0 HE22 GLN A 688 -2.305 -0.460 6.789 1.00 0.00 H new ATOM 611 N HIS A 689 0.592 4.215 6.289 1.00 0.00 N ATOM 612 CA HIS A 689 -0.471 5.212 6.245 1.00 0.00 C ATOM 613 C HIS A 689 -0.219 6.245 5.151 1.00 0.00 C ATOM 614 O HIS A 689 -1.152 6.711 4.496 1.00 0.00 O ATOM 615 CB HIS A 689 -0.596 5.912 7.599 1.00 0.00 C ATOM 616 CG HIS A 689 -1.558 5.241 8.528 1.00 0.00 C ATOM 617 ND1 HIS A 689 -2.232 4.074 8.407 1.00 0.00 N flip ATOM 618 CD2 HIS A 689 -1.927 5.771 9.747 1.00 0.00 C flip ATOM 619 CE1 HIS A 689 -2.987 3.920 9.544 1.00 0.00 C flip ATOM 620 NE2 HIS A 689 -2.785 4.957 10.336 1.00 0.00 N flip ATOM 0 H HIS A 689 1.191 4.276 7.112 1.00 0.00 H new ATOM 0 HA HIS A 689 -1.403 4.695 6.017 1.00 0.00 H new ATOM 0 HB2 HIS A 689 0.386 5.952 8.071 1.00 0.00 H new ATOM 0 HB3 HIS A 689 -0.915 6.942 7.439 1.00 0.00 H new ATOM 0 HD1 HIS A 689 -2.188 3.429 7.618 1.00 0.00 H new ATOM 0 HD2 HIS A 689 -1.570 6.705 10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 689 -3.640 3.086 9.756 1.00 0.00 H new ATOM 629 N LYS A 690 1.047 6.603 4.961 1.00 0.00 N ATOM 630 CA LYS A 690 1.423 7.587 3.950 1.00 0.00 C ATOM 631 C LYS A 690 0.948 7.162 2.563 1.00 0.00 C ATOM 632 O LYS A 690 0.280 7.920 1.859 1.00 0.00 O ATOM 633 CB LYS A 690 2.942 7.773 3.942 1.00 0.00 C ATOM 634 CG LYS A 690 3.400 9.132 3.434 1.00 0.00 C ATOM 635 CD LYS A 690 2.809 9.457 2.070 1.00 0.00 C ATOM 636 CE LYS A 690 3.181 8.412 1.025 1.00 0.00 C ATOM 637 NZ LYS A 690 3.995 8.994 -0.077 1.00 0.00 N ATOM 0 H LYS A 690 1.831 6.226 5.494 1.00 0.00 H new ATOM 0 HA LYS A 690 0.941 8.532 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 690 3.320 7.630 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 690 3.389 6.996 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 690 3.110 9.903 4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 690 4.488 9.148 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 690 1.724 9.520 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 690 3.162 10.436 1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 690 3.738 7.605 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 690 2.273 7.972 0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 690 4.227 8.251 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 690 3.454 9.747 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 690 4.874 9.391 0.313 1.00 0.00 H new ATOM 651 N ASP A 691 1.294 5.938 2.185 1.00 0.00 N ATOM 652 CA ASP A 691 0.901 5.405 0.886 1.00 0.00 C ATOM 653 C ASP A 691 -0.501 4.799 0.944 1.00 0.00 C ATOM 654 O ASP A 691 -1.075 4.453 -0.089 1.00 0.00 O ATOM 655 CB ASP A 691 1.904 4.350 0.417 1.00 0.00 C ATOM 656 CG ASP A 691 3.033 4.947 -0.400 1.00 0.00 C ATOM 657 OD1 ASP A 691 3.694 5.884 0.095 1.00 0.00 O ATOM 658 OD2 ASP A 691 3.257 4.478 -1.536 1.00 0.00 O ATOM 0 H ASP A 691 1.844 5.297 2.757 1.00 0.00 H new ATOM 0 HA ASP A 691 0.892 6.230 0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 691 2.319 3.837 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 691 1.385 3.600 -0.179 1.00 0.00 H new ATOM 663 N TRP A 692 -1.044 4.663 2.153 1.00 0.00 N ATOM 664 CA TRP A 692 -2.374 4.089 2.342 1.00 0.00 C ATOM 665 C TRP A 692 -3.382 4.663 1.346 1.00 0.00 C ATOM 666 O TRP A 692 -4.172 3.922 0.762 1.00 0.00 O ATOM 667 CB TRP A 692 -2.855 4.325 3.777 1.00 0.00 C ATOM 668 CG TRP A 692 -4.220 3.768 4.057 1.00 0.00 C ATOM 669 CD1 TRP A 692 -5.223 4.374 4.761 1.00 0.00 C ATOM 670 CD2 TRP A 692 -4.733 2.494 3.645 1.00 0.00 C ATOM 671 NE1 TRP A 692 -6.326 3.556 4.810 1.00 0.00 N ATOM 672 CE2 TRP A 692 -6.051 2.398 4.131 1.00 0.00 C ATOM 673 CE3 TRP A 692 -4.208 1.424 2.911 1.00 0.00 C ATOM 674 CZ2 TRP A 692 -6.851 1.280 3.906 1.00 0.00 C ATOM 675 CZ3 TRP A 692 -5.003 0.314 2.689 1.00 0.00 C ATOM 676 CH2 TRP A 692 -6.311 0.250 3.184 1.00 0.00 C ATOM 0 H TRP A 692 -0.581 4.943 3.018 1.00 0.00 H new ATOM 0 HA TRP A 692 -2.301 3.017 2.161 1.00 0.00 H new ATOM 0 HB2 TRP A 692 -2.141 3.877 4.468 1.00 0.00 H new ATOM 0 HB3 TRP A 692 -2.862 5.397 3.976 1.00 0.00 H new ATOM 0 HD1 TRP A 692 -5.158 5.353 5.213 1.00 0.00 H new ATOM 0 HE1 TRP A 692 -7.206 3.775 5.276 1.00 0.00 H new ATOM 0 HE3 TRP A 692 -3.200 1.464 2.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 692 -7.860 1.228 4.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 692 -4.608 -0.517 2.124 1.00 0.00 H new ATOM 0 HH2 TRP A 692 -6.906 -0.630 2.992 1.00 0.00 H new ATOM 687 N GLU A 693 -3.362 5.982 1.160 1.00 0.00 N ATOM 688 CA GLU A 693 -4.286 6.639 0.240 1.00 0.00 C ATOM 689 C GLU A 693 -4.238 5.997 -1.145 1.00 0.00 C ATOM 690 O GLU A 693 -5.272 5.798 -1.784 1.00 0.00 O ATOM 691 CB GLU A 693 -3.973 8.140 0.150 1.00 0.00 C ATOM 692 CG GLU A 693 -3.322 8.570 -1.158 1.00 0.00 C ATOM 693 CD GLU A 693 -2.937 10.037 -1.164 1.00 0.00 C ATOM 694 OE1 GLU A 693 -2.178 10.455 -0.265 1.00 0.00 O ATOM 695 OE2 GLU A 693 -3.397 10.766 -2.067 1.00 0.00 O ATOM 0 H GLU A 693 -2.717 6.615 1.634 1.00 0.00 H new ATOM 0 HA GLU A 693 -5.296 6.515 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -4.899 8.700 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -3.315 8.412 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -2.433 7.964 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -4.008 8.375 -1.982 1.00 0.00 H new ATOM 702 N LYS A 694 -3.034 5.677 -1.605 1.00 0.00 N ATOM 703 CA LYS A 694 -2.858 5.060 -2.912 1.00 0.00 C ATOM 704 C LYS A 694 -2.979 3.541 -2.827 1.00 0.00 C ATOM 705 O LYS A 694 -3.672 2.916 -3.630 1.00 0.00 O ATOM 706 CB LYS A 694 -1.496 5.440 -3.496 1.00 0.00 C ATOM 707 CG LYS A 694 -1.383 6.907 -3.874 1.00 0.00 C ATOM 708 CD LYS A 694 0.054 7.395 -3.789 1.00 0.00 C ATOM 709 CE LYS A 694 0.446 7.736 -2.360 1.00 0.00 C ATOM 710 NZ LYS A 694 0.487 9.206 -2.131 1.00 0.00 N ATOM 0 H LYS A 694 -2.167 5.835 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 694 -3.648 5.430 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -0.719 5.200 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -1.306 4.830 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -1.759 7.053 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -2.011 7.504 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 694 0.723 6.627 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 694 0.178 8.275 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -0.265 7.281 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 694 1.423 7.307 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 0.758 9.396 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 1.184 9.638 -2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -0.452 9.613 -2.316 1.00 0.00 H new ATOM 724 N HIS A 695 -2.279 2.952 -1.862 1.00 0.00 N ATOM 725 CA HIS A 695 -2.284 1.505 -1.684 1.00 0.00 C ATOM 726 C HIS A 695 -3.689 0.947 -1.468 1.00 0.00 C ATOM 727 O HIS A 695 -4.031 -0.104 -2.011 1.00 0.00 O ATOM 728 CB HIS A 695 -1.390 1.112 -0.507 1.00 0.00 C ATOM 729 CG HIS A 695 -1.328 -0.365 -0.282 1.00 0.00 C ATOM 730 ND1 HIS A 695 -0.950 -1.270 -1.249 1.00 0.00 N ATOM 731 CD2 HIS A 695 -1.620 -1.096 0.822 1.00 0.00 C ATOM 732 CE1 HIS A 695 -1.025 -2.496 -0.716 1.00 0.00 C ATOM 733 NE2 HIS A 695 -1.427 -2.445 0.541 1.00 0.00 N ATOM 0 H HIS A 695 -1.700 3.456 -1.190 1.00 0.00 H new ATOM 0 HA HIS A 695 -1.896 1.072 -2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 695 -0.382 1.489 -0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 695 -1.758 1.596 0.398 1.00 0.00 H new ATOM 0 HD1 HIS A 695 -0.664 -1.046 -2.202 1.00 0.00 H new ATOM 0 HD2 HIS A 695 -1.950 -0.695 1.769 1.00 0.00 H new ATOM 0 HE1 HIS A 695 -0.788 -3.407 -1.245 1.00 0.00 H new ATOM 741 N HIS A 696 -4.498 1.632 -0.665 1.00 0.00 N ATOM 742 CA HIS A 696 -5.853 1.177 -0.371 1.00 0.00 C ATOM 743 C HIS A 696 -6.670 0.940 -1.637 1.00 0.00 C ATOM 744 O HIS A 696 -7.544 0.074 -1.652 1.00 0.00 O ATOM 745 CB HIS A 696 -6.579 2.123 0.594 1.00 0.00 C ATOM 746 CG HIS A 696 -7.034 3.419 0.006 1.00 0.00 C ATOM 747 ND1 HIS A 696 -6.758 4.689 0.374 1.00 0.00 N flip ATOM 748 CD2 HIS A 696 -7.907 3.513 -1.057 1.00 0.00 C flip ATOM 749 CE1 HIS A 696 -7.459 5.520 -0.459 1.00 0.00 C flip ATOM 750 NE2 HIS A 696 -8.145 4.787 -1.314 1.00 0.00 N flip ATOM 0 H HIS A 696 -4.238 2.505 -0.206 1.00 0.00 H new ATOM 0 HA HIS A 696 -5.753 0.214 0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 696 -7.447 1.604 0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 696 -5.916 2.338 1.432 1.00 0.00 H new ATOM 0 HD1 HIS A 696 -6.141 4.977 1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 696 -8.330 2.677 -1.595 1.00 0.00 H new ATOM 0 HE1 HIS A 696 -7.451 6.599 -0.422 1.00 0.00 H new ATOM 759 N HIS A 697 -6.374 1.670 -2.713 1.00 0.00 N ATOM 760 CA HIS A 697 -7.090 1.465 -3.968 1.00 0.00 C ATOM 761 C HIS A 697 -6.872 0.037 -4.461 1.00 0.00 C ATOM 762 O HIS A 697 -7.735 -0.545 -5.116 1.00 0.00 O ATOM 763 CB HIS A 697 -6.599 2.432 -5.052 1.00 0.00 C ATOM 764 CG HIS A 697 -6.655 3.881 -4.679 1.00 0.00 C ATOM 765 ND1 HIS A 697 -5.698 4.837 -4.723 1.00 0.00 N flip ATOM 766 CD2 HIS A 697 -7.797 4.505 -4.228 1.00 0.00 C flip ATOM 767 CE1 HIS A 697 -6.274 6.011 -4.306 1.00 0.00 C flip ATOM 768 NE2 HIS A 697 -7.541 5.785 -4.014 1.00 0.00 N flip ATOM 0 H HIS A 697 -5.657 2.395 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 697 -8.148 1.647 -3.779 1.00 0.00 H new ATOM 0 HB2 HIS A 697 -5.570 2.177 -5.306 1.00 0.00 H new ATOM 0 HB3 HIS A 697 -7.196 2.280 -5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 697 -8.752 4.025 -4.073 1.00 0.00 H new ATOM 0 HE1 HIS A 697 -5.772 6.964 -4.229 1.00 0.00 H new ATOM 0 HE2 HIS A 697 -8.209 6.479 -3.680 1.00 0.00 H new ATOM 777 N ILE A 698 -5.696 -0.512 -4.154 1.00 0.00 N ATOM 778 CA ILE A 698 -5.342 -1.862 -4.581 1.00 0.00 C ATOM 779 C ILE A 698 -5.702 -2.905 -3.528 1.00 0.00 C ATOM 780 O ILE A 698 -6.404 -3.874 -3.817 1.00 0.00 O ATOM 781 CB ILE A 698 -3.831 -1.989 -4.884 1.00 0.00 C ATOM 782 CG1 ILE A 698 -3.272 -0.697 -5.490 1.00 0.00 C ATOM 783 CG2 ILE A 698 -3.580 -3.163 -5.819 1.00 0.00 C ATOM 784 CD1 ILE A 698 -1.760 -0.609 -5.427 1.00 0.00 C ATOM 0 H ILE A 698 -4.973 -0.040 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 698 -5.917 -2.045 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 698 -3.313 -2.167 -3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -3.590 -0.625 -6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -3.701 0.157 -4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -2.513 -3.242 -6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -3.928 -4.083 -5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.119 -3.006 -6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -1.431 0.330 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -1.436 -0.650 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -1.324 -1.444 -5.976 1.00 0.00 H new ATOM 796 N CYS A 699 -5.200 -2.705 -2.310 1.00 0.00 N ATOM 797 CA CYS A 699 -5.439 -3.623 -1.195 1.00 0.00 C ATOM 798 C CYS A 699 -6.865 -4.166 -1.184 1.00 0.00 C ATOM 799 O CYS A 699 -7.774 -3.579 -1.771 1.00 0.00 O ATOM 800 CB CYS A 699 -5.152 -2.918 0.131 1.00 0.00 C ATOM 801 SG CYS A 699 -4.805 -4.040 1.505 1.00 0.00 S ATOM 0 H CYS A 699 -4.617 -1.904 -2.068 1.00 0.00 H new ATOM 0 HA CYS A 699 -4.765 -4.469 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 699 -4.301 -2.250 -0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 699 -6.008 -2.296 0.392 1.00 0.00 H new ATOM 806 N GLY A 700 -7.046 -5.293 -0.502 1.00 0.00 N ATOM 807 CA GLY A 700 -8.355 -5.909 -0.410 1.00 0.00 C ATOM 808 C GLY A 700 -8.898 -6.330 -1.761 1.00 0.00 C ATOM 809 O GLY A 700 -10.099 -6.235 -2.011 1.00 0.00 O ATOM 0 H GLY A 700 -6.305 -5.792 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 700 -8.297 -6.781 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 700 -9.050 -5.209 0.055 1.00 0.00 H new ATOM 813 N GLN A 701 -8.013 -6.800 -2.633 1.00 0.00 N ATOM 814 CA GLN A 701 -8.412 -7.240 -3.965 1.00 0.00 C ATOM 815 C GLN A 701 -7.671 -8.513 -4.361 1.00 0.00 C ATOM 816 O GLN A 701 -7.369 -8.728 -5.534 1.00 0.00 O ATOM 817 CB GLN A 701 -8.145 -6.137 -4.991 1.00 0.00 C ATOM 818 CG GLN A 701 -9.222 -6.027 -6.058 1.00 0.00 C ATOM 819 CD GLN A 701 -8.680 -5.538 -7.388 1.00 0.00 C ATOM 820 OE1 GLN A 701 -8.633 -6.286 -8.365 1.00 0.00 O ATOM 821 NE2 GLN A 701 -8.264 -4.278 -7.430 1.00 0.00 N ATOM 0 H GLN A 701 -7.015 -6.886 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 701 -9.480 -7.455 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 701 -8.060 -5.182 -4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 701 -7.185 -6.325 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 701 -9.691 -7.001 -6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 701 -10.000 -5.345 -5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 701 -8.322 -3.694 -6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 701 -7.887 -3.894 -8.296 1.00 0.00 H new ATOM 830 N THR A 702 -7.384 -9.355 -3.373 1.00 0.00 N ATOM 831 CA THR A 702 -6.680 -10.608 -3.616 1.00 0.00 C ATOM 832 C THR A 702 -7.499 -11.797 -3.123 1.00 0.00 C ATOM 833 O THR A 702 -8.374 -11.650 -2.272 1.00 0.00 O ATOM 834 CB THR A 702 -5.316 -10.594 -2.923 1.00 0.00 C ATOM 835 OG1 THR A 702 -5.465 -10.393 -1.530 1.00 0.00 O ATOM 836 CG2 THR A 702 -4.391 -9.515 -3.446 1.00 0.00 C ATOM 0 H THR A 702 -7.629 -9.192 -2.396 1.00 0.00 H new ATOM 0 HA THR A 702 -6.534 -10.710 -4.691 1.00 0.00 H new ATOM 0 HB THR A 702 -4.872 -11.566 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 702 -4.583 -10.389 -1.104 1.00 0.00 H new ATOM 0 HG21 THR A 702 -3.441 -9.560 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 702 -4.217 -9.670 -4.511 1.00 0.00 H new ATOM 0 HG23 THR A 702 -4.848 -8.538 -3.291 1.00 0.00 H new ATOM 844 N LEU A 703 -7.208 -12.975 -3.665 1.00 0.00 N ATOM 845 CA LEU A 703 -7.916 -14.190 -3.282 1.00 0.00 C ATOM 846 C LEU A 703 -9.401 -14.085 -3.622 1.00 0.00 C ATOM 847 O LEU A 703 -9.971 -12.995 -3.625 1.00 0.00 O ATOM 848 CB LEU A 703 -7.738 -14.461 -1.786 1.00 0.00 C ATOM 849 CG LEU A 703 -7.314 -15.887 -1.434 1.00 0.00 C ATOM 850 CD1 LEU A 703 -8.417 -16.872 -1.786 1.00 0.00 C ATOM 851 CD2 LEU A 703 -6.024 -16.249 -2.154 1.00 0.00 C ATOM 0 H LEU A 703 -6.486 -13.114 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 703 -7.492 -15.021 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 703 -6.993 -13.769 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 703 -8.677 -14.241 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 703 -7.136 -15.941 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 703 -8.098 -17.882 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 703 -9.319 -16.623 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 703 -8.625 -16.818 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 703 -5.735 -17.267 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 703 -6.177 -16.180 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 703 -5.234 -15.560 -1.854 1.00 0.00 H new ATOM 863 N GLN A 704 -10.019 -15.226 -3.907 1.00 0.00 N ATOM 864 CA GLN A 704 -11.436 -15.262 -4.247 1.00 0.00 C ATOM 865 C GLN A 704 -12.055 -16.605 -3.869 1.00 0.00 C ATOM 866 O GLN A 704 -11.722 -17.638 -4.451 1.00 0.00 O ATOM 867 CB GLN A 704 -11.631 -15.001 -5.742 1.00 0.00 C ATOM 868 CG GLN A 704 -12.924 -14.273 -6.069 1.00 0.00 C ATOM 869 CD GLN A 704 -12.731 -12.776 -6.210 1.00 0.00 C ATOM 870 OE1 GLN A 704 -13.359 -11.989 -5.503 1.00 0.00 O ATOM 871 NE2 GLN A 704 -11.858 -12.376 -7.128 1.00 0.00 N ATOM 0 H GLN A 704 -9.561 -16.137 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 704 -11.938 -14.479 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 704 -10.790 -14.415 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 704 -11.615 -15.953 -6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 704 -13.336 -14.671 -6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 704 -13.655 -14.469 -5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 704 -11.360 -13.064 -7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 704 -11.686 -11.380 -7.269 1.00 0.00 H new ATOM 880 N ALA A 705 -12.955 -16.581 -2.892 1.00 0.00 N ATOM 881 CA ALA A 705 -13.621 -17.796 -2.437 1.00 0.00 C ATOM 882 C ALA A 705 -15.123 -17.576 -2.297 1.00 0.00 C ATOM 883 O ALA A 705 -15.925 -18.391 -2.755 1.00 0.00 O ATOM 884 CB ALA A 705 -13.029 -18.258 -1.115 1.00 0.00 C ATOM 0 H ALA A 705 -13.240 -15.734 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 705 -13.461 -18.572 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 705 -13.535 -19.166 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 705 -11.966 -18.462 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 705 -13.161 -17.478 -0.365 1.00 0.00 H new ATOM 890 N GLN A 706 -15.498 -16.470 -1.663 1.00 0.00 N ATOM 891 CA GLN A 706 -16.904 -16.143 -1.462 1.00 0.00 C ATOM 892 C GLN A 706 -17.129 -14.636 -1.531 1.00 0.00 C ATOM 893 O GLN A 706 -16.475 -13.868 -0.827 1.00 0.00 O ATOM 894 CB GLN A 706 -17.387 -16.682 -0.114 1.00 0.00 C ATOM 895 CG GLN A 706 -18.900 -16.707 0.024 1.00 0.00 C ATOM 896 CD GLN A 706 -19.368 -17.623 1.136 1.00 0.00 C ATOM 897 OE1 GLN A 706 -20.106 -17.209 2.030 1.00 0.00 O ATOM 898 NE2 GLN A 706 -18.939 -18.879 1.087 1.00 0.00 N ATOM 0 H GLN A 706 -14.847 -15.785 -1.279 1.00 0.00 H new ATOM 0 HA GLN A 706 -17.478 -16.614 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 706 -17.001 -17.692 0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 706 -16.968 -16.069 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 706 -19.261 -15.696 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 706 -19.342 -17.030 -0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 706 -18.328 -19.180 0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 706 -19.220 -19.543 1.809 1.00 0.00 H new ATOM 907 N GLN A 707 -18.060 -14.221 -2.384 1.00 0.00 N ATOM 908 CA GLN A 707 -18.371 -12.806 -2.546 1.00 0.00 C ATOM 909 C GLN A 707 -19.216 -12.300 -1.381 1.00 0.00 C ATOM 910 O GLN A 707 -18.692 -11.508 -0.570 1.00 0.00 O ATOM 911 CB GLN A 707 -19.108 -12.572 -3.866 1.00 0.00 C ATOM 912 CG GLN A 707 -18.728 -11.270 -4.553 1.00 0.00 C ATOM 913 CD GLN A 707 -17.296 -11.272 -5.053 1.00 0.00 C ATOM 914 OE1 GLN A 707 -16.520 -10.366 -4.749 1.00 0.00 O ATOM 915 NE2 GLN A 707 -16.940 -12.291 -5.825 1.00 0.00 N ATOM 916 OXT GLN A 707 -20.397 -12.699 -1.290 1.00 0.00 O ATOM 0 H GLN A 707 -18.612 -14.844 -2.973 1.00 0.00 H new ATOM 0 HA GLN A 707 -17.433 -12.251 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 707 -18.901 -13.403 -4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 707 -20.182 -12.574 -3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 707 -19.402 -11.096 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 707 -18.865 -10.442 -3.857 1.00 0.00 H new ATOM 0 HE21 GLN A 707 -17.617 -13.020 -6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 707 -15.990 -12.345 -6.192 1.00 0.00 H new TER 925 GLN A 707 HETATM 926 ZN ZN A 1 9.199 3.305 5.281 1.00 0.00 ZN HETATM 927 ZN ZN A 2 -2.481 -3.950 1.392 1.00 0.00 ZN