USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 304 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 699 HIS HE2 : A 699 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 703 HIS HE2 : A 703 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 691 SER OG : rot 105:sc= 0.19 USER MOD Set 1.2: A 692 GLN : amide:sc= 0.0909 K(o=0.28,f=-1.3!) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : A 671 SER OG : rot 180:sc= 0 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 SER OG : rot 180:sc= 0 USER MOD Single : A 676 THR OG1 : rot 180:sc= 0 USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 682 GLN : amide:sc= -4.43! C(o=-4.4!,f=-6.1!) USER MOD Single : A 684 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.9!) USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 THR OG1 : rot 180:sc= 0 USER MOD Single : A 694 SER OG : rot 180:sc= 0.00769 USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.1!) USER MOD Single : A 704 THR OG1 : rot 67:sc= 0.473 USER MOD Single : A 707 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 709 SER OG : rot 180:sc= 0 USER MOD Single : A 712 SER OG : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 669 -12.908 9.196 -17.003 1.00 0.00 N ATOM 2 CA GLY A 669 -11.801 8.312 -17.322 1.00 0.00 C ATOM 3 C GLY A 669 -11.897 6.981 -16.603 1.00 0.00 C ATOM 4 O GLY A 669 -12.726 6.808 -15.710 1.00 0.00 O ATOM 0 HA2 GLY A 669 -11.776 8.139 -18.398 1.00 0.00 H new ATOM 0 HA3 GLY A 669 -10.863 8.799 -17.056 1.00 0.00 H new ATOM 8 N SER A 670 -11.046 6.037 -16.993 1.00 0.00 N ATOM 9 CA SER A 670 -11.042 4.713 -16.384 1.00 0.00 C ATOM 10 C SER A 670 -9.652 4.359 -15.862 1.00 0.00 C ATOM 11 O SER A 670 -8.657 4.968 -16.254 1.00 0.00 O ATOM 12 CB SER A 670 -11.503 3.661 -17.395 1.00 0.00 C ATOM 13 OG SER A 670 -12.631 4.114 -18.124 1.00 0.00 O ATOM 0 H SER A 670 -10.351 6.165 -17.728 1.00 0.00 H new ATOM 0 HA SER A 670 -11.735 4.725 -15.543 1.00 0.00 H new ATOM 0 HB2 SER A 670 -10.689 3.432 -18.083 1.00 0.00 H new ATOM 0 HB3 SER A 670 -11.750 2.736 -16.875 1.00 0.00 H new ATOM 0 HG SER A 670 -12.905 3.425 -18.764 1.00 0.00 H new ATOM 19 N SER A 671 -9.594 3.370 -14.977 1.00 0.00 N ATOM 20 CA SER A 671 -8.327 2.936 -14.398 1.00 0.00 C ATOM 21 C SER A 671 -7.588 4.112 -13.766 1.00 0.00 C ATOM 22 O SER A 671 -6.377 4.256 -13.925 1.00 0.00 O ATOM 23 CB SER A 671 -7.450 2.283 -15.467 1.00 0.00 C ATOM 24 OG SER A 671 -7.925 0.989 -15.796 1.00 0.00 O ATOM 0 H SER A 671 -10.409 2.854 -14.645 1.00 0.00 H new ATOM 0 HA SER A 671 -8.543 2.204 -13.620 1.00 0.00 H new ATOM 0 HB2 SER A 671 -7.436 2.907 -16.361 1.00 0.00 H new ATOM 0 HB3 SER A 671 -6.423 2.216 -15.108 1.00 0.00 H new ATOM 0 HG SER A 671 -7.348 0.594 -16.483 1.00 0.00 H new ATOM 30 N GLY A 672 -8.328 4.952 -13.048 1.00 0.00 N ATOM 31 CA GLY A 672 -7.727 6.105 -12.404 1.00 0.00 C ATOM 32 C GLY A 672 -8.364 6.417 -11.064 1.00 0.00 C ATOM 33 O GLY A 672 -9.132 7.371 -10.941 1.00 0.00 O ATOM 0 H GLY A 672 -9.333 4.854 -12.901 1.00 0.00 H new ATOM 0 HA2 GLY A 672 -6.661 5.924 -12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 672 -7.820 6.972 -13.058 1.00 0.00 H new ATOM 37 N SER A 673 -8.045 5.610 -10.057 1.00 0.00 N ATOM 38 CA SER A 673 -8.596 5.802 -8.720 1.00 0.00 C ATOM 39 C SER A 673 -7.625 6.583 -7.839 1.00 0.00 C ATOM 40 O SER A 673 -6.613 6.048 -7.386 1.00 0.00 O ATOM 41 CB SER A 673 -8.912 4.451 -8.077 1.00 0.00 C ATOM 42 OG SER A 673 -10.088 3.885 -8.630 1.00 0.00 O ATOM 0 H SER A 673 -7.408 4.818 -10.141 1.00 0.00 H new ATOM 0 HA SER A 673 -9.518 6.377 -8.813 1.00 0.00 H new ATOM 0 HB2 SER A 673 -8.073 3.770 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 673 -9.036 4.577 -7.001 1.00 0.00 H new ATOM 0 HG SER A 673 -10.267 3.021 -8.203 1.00 0.00 H new ATOM 48 N SER A 674 -7.941 7.852 -7.601 1.00 0.00 N ATOM 49 CA SER A 674 -7.096 8.709 -6.778 1.00 0.00 C ATOM 50 C SER A 674 -7.915 9.823 -6.134 1.00 0.00 C ATOM 51 O SER A 674 -9.078 10.031 -6.477 1.00 0.00 O ATOM 52 CB SER A 674 -5.969 9.310 -7.620 1.00 0.00 C ATOM 53 OG SER A 674 -6.470 9.847 -8.832 1.00 0.00 O ATOM 0 H SER A 674 -8.776 8.309 -7.967 1.00 0.00 H new ATOM 0 HA SER A 674 -6.662 8.097 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 674 -5.464 10.092 -7.053 1.00 0.00 H new ATOM 0 HB3 SER A 674 -5.225 8.544 -7.838 1.00 0.00 H new ATOM 0 HG SER A 674 -5.731 10.227 -9.352 1.00 0.00 H new ATOM 59 N GLY A 675 -7.299 10.538 -5.198 1.00 0.00 N ATOM 60 CA GLY A 675 -7.984 11.622 -4.520 1.00 0.00 C ATOM 61 C GLY A 675 -7.644 11.692 -3.045 1.00 0.00 C ATOM 62 O GLY A 675 -7.739 12.752 -2.426 1.00 0.00 O ATOM 0 H GLY A 675 -6.336 10.385 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 675 -7.721 12.567 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 675 -9.060 11.496 -4.636 1.00 0.00 H new ATOM 66 N THR A 676 -7.247 10.557 -2.477 1.00 0.00 N ATOM 67 CA THR A 676 -6.894 10.492 -1.064 1.00 0.00 C ATOM 68 C THR A 676 -5.398 10.701 -0.861 1.00 0.00 C ATOM 69 O THR A 676 -4.595 10.417 -1.750 1.00 0.00 O ATOM 70 CB THR A 676 -7.301 9.142 -0.445 1.00 0.00 C ATOM 71 OG1 THR A 676 -6.425 8.108 -0.906 1.00 0.00 O ATOM 72 CG2 THR A 676 -8.738 8.794 -0.803 1.00 0.00 C ATOM 0 H THR A 676 -7.162 9.670 -2.974 1.00 0.00 H new ATOM 0 HA THR A 676 -7.441 11.292 -0.564 1.00 0.00 H new ATOM 0 HB THR A 676 -7.224 9.226 0.639 1.00 0.00 H new ATOM 0 HG1 THR A 676 -6.689 7.253 -0.507 1.00 0.00 H new ATOM 0 HG21 THR A 676 -9.003 7.836 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 676 -9.405 9.569 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 676 -8.837 8.727 -1.886 1.00 0.00 H new ATOM 80 N GLY A 677 -5.028 11.198 0.315 1.00 0.00 N ATOM 81 CA GLY A 677 -3.628 11.436 0.614 1.00 0.00 C ATOM 82 C GLY A 677 -3.223 10.891 1.969 1.00 0.00 C ATOM 83 O GLY A 677 -2.741 11.631 2.825 1.00 0.00 O ATOM 0 H GLY A 677 -5.673 11.440 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 677 -3.012 10.976 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 677 -3.430 12.507 0.583 1.00 0.00 H new ATOM 87 N GLY A 678 -3.421 9.591 2.166 1.00 0.00 N ATOM 88 CA GLY A 678 -3.070 8.970 3.429 1.00 0.00 C ATOM 89 C GLY A 678 -1.840 8.090 3.321 1.00 0.00 C ATOM 90 O GLY A 678 -0.712 8.569 3.434 1.00 0.00 O ATOM 0 H GLY A 678 -3.818 8.957 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -2.894 9.745 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -3.910 8.373 3.782 1.00 0.00 H new ATOM 94 N LYS A 679 -2.057 6.797 3.102 1.00 0.00 N ATOM 95 CA LYS A 679 -0.959 5.847 2.979 1.00 0.00 C ATOM 96 C LYS A 679 -1.474 4.469 2.576 1.00 0.00 C ATOM 97 O LYS A 679 -1.430 3.512 3.350 1.00 0.00 O ATOM 98 CB LYS A 679 -0.190 5.750 4.298 1.00 0.00 C ATOM 99 CG LYS A 679 -1.075 5.455 5.497 1.00 0.00 C ATOM 100 CD LYS A 679 -0.355 5.740 6.805 1.00 0.00 C ATOM 101 CE LYS A 679 0.780 4.756 7.042 1.00 0.00 C ATOM 102 NZ LYS A 679 1.736 5.250 8.071 1.00 0.00 N ATOM 0 H LYS A 679 -2.985 6.384 3.006 1.00 0.00 H new ATOM 0 HA LYS A 679 -0.287 6.207 2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 679 0.564 4.968 4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 679 0.340 6.687 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -1.980 6.059 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -1.387 4.411 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 679 0.040 6.756 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -1.064 5.685 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 679 0.369 3.797 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 679 1.311 4.582 6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 2.495 4.551 8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 2.147 6.152 7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 1.235 5.392 8.971 1.00 0.00 H new ATOM 116 N PRO A 680 -1.974 4.362 1.336 1.00 0.00 N ATOM 117 CA PRO A 680 -2.505 3.104 0.802 1.00 0.00 C ATOM 118 C PRO A 680 -1.411 2.070 0.556 1.00 0.00 C ATOM 119 O PRO A 680 -1.541 0.910 0.948 1.00 0.00 O ATOM 120 CB PRO A 680 -3.150 3.525 -0.521 1.00 0.00 C ATOM 121 CG PRO A 680 -2.422 4.761 -0.921 1.00 0.00 C ATOM 122 CD PRO A 680 -2.058 5.460 0.359 1.00 0.00 C ATOM 0 HA PRO A 680 -3.196 2.626 1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 680 -3.050 2.745 -1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 680 -4.216 3.716 -0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -1.531 4.519 -1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -3.047 5.396 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.111 5.992 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -2.811 6.194 0.644 1.00 0.00 H new ATOM 130 N TYR A 681 -0.335 2.499 -0.094 1.00 0.00 N ATOM 131 CA TYR A 681 0.781 1.609 -0.393 1.00 0.00 C ATOM 132 C TYR A 681 1.976 1.913 0.505 1.00 0.00 C ATOM 133 O TYR A 681 2.803 1.041 0.771 1.00 0.00 O ATOM 134 CB TYR A 681 1.186 1.742 -1.863 1.00 0.00 C ATOM 135 CG TYR A 681 1.600 3.143 -2.252 1.00 0.00 C ATOM 136 CD1 TYR A 681 2.890 3.599 -2.012 1.00 0.00 C ATOM 137 CD2 TYR A 681 0.701 4.010 -2.862 1.00 0.00 C ATOM 138 CE1 TYR A 681 3.272 4.879 -2.366 1.00 0.00 C ATOM 139 CE2 TYR A 681 1.075 5.290 -3.220 1.00 0.00 C ATOM 140 CZ TYR A 681 2.362 5.720 -2.970 1.00 0.00 C ATOM 141 OH TYR A 681 2.739 6.995 -3.325 1.00 0.00 O ATOM 0 H TYR A 681 -0.212 3.456 -0.424 1.00 0.00 H new ATOM 0 HA TYR A 681 0.458 0.585 -0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 681 2.010 1.059 -2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 681 0.351 1.431 -2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.606 2.942 -1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 681 -0.307 3.677 -3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 681 4.278 5.219 -2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 681 0.364 5.951 -3.693 1.00 0.00 H new ATOM 0 HH TYR A 681 1.981 7.457 -3.740 1.00 0.00 H new ATOM 151 N GLN A 682 2.059 3.156 0.967 1.00 0.00 N ATOM 152 CA GLN A 682 3.153 3.576 1.836 1.00 0.00 C ATOM 153 C GLN A 682 3.299 2.631 3.024 1.00 0.00 C ATOM 154 O GLN A 682 2.323 2.325 3.710 1.00 0.00 O ATOM 155 CB GLN A 682 2.920 5.004 2.331 1.00 0.00 C ATOM 156 CG GLN A 682 3.917 5.453 3.387 1.00 0.00 C ATOM 157 CD GLN A 682 3.924 6.956 3.582 1.00 0.00 C ATOM 158 OE1 GLN A 682 3.262 7.692 2.850 1.00 0.00 O ATOM 159 NE2 GLN A 682 4.675 7.421 4.574 1.00 0.00 N ATOM 0 H GLN A 682 1.383 3.890 0.755 1.00 0.00 H new ATOM 0 HA GLN A 682 4.075 3.546 1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 682 2.970 5.686 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 682 1.912 5.078 2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 682 3.680 4.969 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 682 4.916 5.123 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 682 5.208 6.775 5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 682 4.719 8.424 4.753 1.00 0.00 H new ATOM 168 N CYS A 683 4.522 2.171 3.261 1.00 0.00 N ATOM 169 CA CYS A 683 4.796 1.260 4.366 1.00 0.00 C ATOM 170 C CYS A 683 4.250 1.815 5.678 1.00 0.00 C ATOM 171 O CYS A 683 4.417 2.996 5.981 1.00 0.00 O ATOM 172 CB CYS A 683 6.301 1.014 4.490 1.00 0.00 C ATOM 173 SG CYS A 683 6.758 -0.146 5.819 1.00 0.00 S ATOM 0 H CYS A 683 5.340 2.414 2.702 1.00 0.00 H new ATOM 0 HA CYS A 683 4.296 0.314 4.157 1.00 0.00 H new ATOM 0 HB2 CYS A 683 6.675 0.628 3.541 1.00 0.00 H new ATOM 0 HB3 CYS A 683 6.801 1.967 4.666 1.00 0.00 H new ATOM 178 N ASN A 684 3.598 0.955 6.452 1.00 0.00 N ATOM 179 CA ASN A 684 3.026 1.359 7.732 1.00 0.00 C ATOM 180 C ASN A 684 3.821 0.770 8.893 1.00 0.00 C ATOM 181 O ASN A 684 3.843 1.329 9.989 1.00 0.00 O ATOM 182 CB ASN A 684 1.564 0.917 7.824 1.00 0.00 C ATOM 183 CG ASN A 684 0.841 1.033 6.496 1.00 0.00 C ATOM 184 OD1 ASN A 684 0.863 2.083 5.853 1.00 0.00 O ATOM 185 ND2 ASN A 684 0.194 -0.049 6.078 1.00 0.00 N ATOM 0 H ASN A 684 3.452 -0.027 6.216 1.00 0.00 H new ATOM 0 HA ASN A 684 3.074 2.446 7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 684 1.520 -0.116 8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 684 1.050 1.524 8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 684 -0.311 -0.031 5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 684 0.202 -0.898 6.643 1.00 0.00 H new ATOM 192 N GLU A 685 4.474 -0.361 8.643 1.00 0.00 N ATOM 193 CA GLU A 685 5.269 -1.026 9.668 1.00 0.00 C ATOM 194 C GLU A 685 6.259 -0.053 10.305 1.00 0.00 C ATOM 195 O GLU A 685 6.276 0.124 11.523 1.00 0.00 O ATOM 196 CB GLU A 685 6.021 -2.216 9.070 1.00 0.00 C ATOM 197 CG GLU A 685 5.110 -3.332 8.587 1.00 0.00 C ATOM 198 CD GLU A 685 4.765 -4.319 9.685 1.00 0.00 C ATOM 199 OE1 GLU A 685 4.456 -3.874 10.809 1.00 0.00 O ATOM 200 OE2 GLU A 685 4.803 -5.539 9.418 1.00 0.00 O ATOM 0 H GLU A 685 4.468 -0.835 7.740 1.00 0.00 H new ATOM 0 HA GLU A 685 4.590 -1.386 10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 685 6.629 -1.868 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 685 6.705 -2.616 9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 685 4.191 -2.900 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 685 5.594 -3.862 7.766 1.00 0.00 H new ATOM 207 N CYS A 686 7.081 0.574 9.471 1.00 0.00 N ATOM 208 CA CYS A 686 8.075 1.528 9.950 1.00 0.00 C ATOM 209 C CYS A 686 7.666 2.957 9.607 1.00 0.00 C ATOM 210 O CYS A 686 8.041 3.904 10.297 1.00 0.00 O ATOM 211 CB CYS A 686 9.444 1.217 9.343 1.00 0.00 C ATOM 212 SG CYS A 686 9.541 1.494 7.545 1.00 0.00 S ATOM 0 H CYS A 686 7.079 0.439 8.460 1.00 0.00 H new ATOM 0 HA CYS A 686 8.137 1.437 11.034 1.00 0.00 H new ATOM 0 HB2 CYS A 686 10.196 1.833 9.836 1.00 0.00 H new ATOM 0 HB3 CYS A 686 9.695 0.177 9.554 1.00 0.00 H new ATOM 217 N GLY A 687 6.895 3.105 8.534 1.00 0.00 N ATOM 218 CA GLY A 687 6.447 4.422 8.117 1.00 0.00 C ATOM 219 C GLY A 687 7.421 5.091 7.168 1.00 0.00 C ATOM 220 O GLY A 687 8.051 6.090 7.514 1.00 0.00 O ATOM 0 H GLY A 687 6.572 2.337 7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 687 5.474 4.335 7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 687 6.311 5.051 8.996 1.00 0.00 H new ATOM 224 N LYS A 688 7.546 4.539 5.965 1.00 0.00 N ATOM 225 CA LYS A 688 8.450 5.088 4.962 1.00 0.00 C ATOM 226 C LYS A 688 7.853 4.961 3.564 1.00 0.00 C ATOM 227 O LYS A 688 7.499 3.866 3.127 1.00 0.00 O ATOM 228 CB LYS A 688 9.802 4.372 5.017 1.00 0.00 C ATOM 229 CG LYS A 688 10.944 5.184 4.431 1.00 0.00 C ATOM 230 CD LYS A 688 12.239 4.389 4.408 1.00 0.00 C ATOM 231 CE LYS A 688 13.447 5.295 4.227 1.00 0.00 C ATOM 232 NZ LYS A 688 13.732 5.558 2.789 1.00 0.00 N ATOM 0 H LYS A 688 7.032 3.712 5.662 1.00 0.00 H new ATOM 0 HA LYS A 688 8.596 6.146 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 688 10.034 4.130 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 688 9.726 3.427 4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 688 10.689 5.494 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 688 11.084 6.092 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 688 12.339 3.829 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 688 12.205 3.660 3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 688 13.273 6.240 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 688 14.319 4.835 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 14.562 6.179 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 13.923 4.659 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 12.910 6.020 2.351 1.00 0.00 H new ATOM 246 N ALA A 689 7.745 6.087 2.867 1.00 0.00 N ATOM 247 CA ALA A 689 7.194 6.101 1.517 1.00 0.00 C ATOM 248 C ALA A 689 8.301 6.193 0.473 1.00 0.00 C ATOM 249 O ALA A 689 9.374 6.736 0.738 1.00 0.00 O ATOM 250 CB ALA A 689 6.217 7.257 1.358 1.00 0.00 C ATOM 0 H ALA A 689 8.032 7.002 3.215 1.00 0.00 H new ATOM 0 HA ALA A 689 6.660 5.164 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 689 5.813 7.256 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 689 5.402 7.146 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 689 6.735 8.199 1.541 1.00 0.00 H new ATOM 256 N PHE A 690 8.035 5.659 -0.714 1.00 0.00 N ATOM 257 CA PHE A 690 9.010 5.679 -1.798 1.00 0.00 C ATOM 258 C PHE A 690 8.421 6.330 -3.047 1.00 0.00 C ATOM 259 O PHE A 690 7.251 6.713 -3.068 1.00 0.00 O ATOM 260 CB PHE A 690 9.475 4.258 -2.121 1.00 0.00 C ATOM 261 CG PHE A 690 10.273 3.624 -1.018 1.00 0.00 C ATOM 262 CD1 PHE A 690 9.653 3.194 0.144 1.00 0.00 C ATOM 263 CD2 PHE A 690 11.643 3.457 -1.144 1.00 0.00 C ATOM 264 CE1 PHE A 690 10.386 2.610 1.161 1.00 0.00 C ATOM 265 CE2 PHE A 690 12.380 2.873 -0.131 1.00 0.00 C ATOM 266 CZ PHE A 690 11.751 2.449 1.023 1.00 0.00 C ATOM 0 H PHE A 690 7.152 5.207 -0.950 1.00 0.00 H new ATOM 0 HA PHE A 690 9.867 6.268 -1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 690 8.604 3.638 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 690 10.078 4.279 -3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 690 8.586 3.316 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 690 12.140 3.787 -2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.891 2.280 2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 690 13.447 2.748 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 690 12.325 1.993 1.816 1.00 0.00 H new ATOM 276 N SER A 691 9.241 6.452 -4.085 1.00 0.00 N ATOM 277 CA SER A 691 8.805 7.061 -5.337 1.00 0.00 C ATOM 278 C SER A 691 7.756 6.192 -6.026 1.00 0.00 C ATOM 279 O SER A 691 6.668 6.662 -6.357 1.00 0.00 O ATOM 280 CB SER A 691 9.999 7.274 -6.269 1.00 0.00 C ATOM 281 OG SER A 691 10.816 6.117 -6.323 1.00 0.00 O ATOM 0 H SER A 691 10.211 6.137 -4.085 1.00 0.00 H new ATOM 0 HA SER A 691 8.358 8.028 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 691 9.644 7.519 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 691 10.588 8.123 -5.923 1.00 0.00 H new ATOM 0 HG SER A 691 10.669 5.652 -7.173 1.00 0.00 H new ATOM 287 N GLN A 692 8.093 4.924 -6.237 1.00 0.00 N ATOM 288 CA GLN A 692 7.181 3.990 -6.888 1.00 0.00 C ATOM 289 C GLN A 692 6.967 2.750 -6.026 1.00 0.00 C ATOM 290 O GLN A 692 7.750 2.467 -5.120 1.00 0.00 O ATOM 291 CB GLN A 692 7.725 3.585 -8.259 1.00 0.00 C ATOM 292 CG GLN A 692 7.517 4.642 -9.332 1.00 0.00 C ATOM 293 CD GLN A 692 8.651 5.646 -9.391 1.00 0.00 C ATOM 294 OE1 GLN A 692 9.807 5.310 -9.131 1.00 0.00 O ATOM 295 NE2 GLN A 692 8.326 6.887 -9.734 1.00 0.00 N ATOM 0 H GLN A 692 8.990 4.520 -5.967 1.00 0.00 H new ATOM 0 HA GLN A 692 6.221 4.490 -7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 692 8.791 3.374 -8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 692 7.242 2.660 -8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 692 7.418 4.155 -10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 692 6.581 5.168 -9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 692 7.355 7.121 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 692 9.047 7.606 -9.790 1.00 0.00 H new ATOM 304 N THR A 693 5.898 2.013 -6.315 1.00 0.00 N ATOM 305 CA THR A 693 5.579 0.804 -5.566 1.00 0.00 C ATOM 306 C THR A 693 6.586 -0.304 -5.855 1.00 0.00 C ATOM 307 O THR A 693 6.793 -1.197 -5.035 1.00 0.00 O ATOM 308 CB THR A 693 4.164 0.295 -5.897 1.00 0.00 C ATOM 309 OG1 THR A 693 4.030 0.104 -7.310 1.00 0.00 O ATOM 310 CG2 THR A 693 3.108 1.277 -5.411 1.00 0.00 C ATOM 0 H THR A 693 5.239 2.233 -7.062 1.00 0.00 H new ATOM 0 HA THR A 693 5.625 1.066 -4.509 1.00 0.00 H new ATOM 0 HB THR A 693 4.016 -0.656 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 693 3.128 -0.221 -7.512 1.00 0.00 H new ATOM 0 HG21 THR A 693 2.117 0.896 -5.656 1.00 0.00 H new ATOM 0 HG22 THR A 693 3.193 1.398 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 693 3.257 2.241 -5.897 1.00 0.00 H new ATOM 318 N SER A 694 7.210 -0.238 -7.027 1.00 0.00 N ATOM 319 CA SER A 694 8.193 -1.239 -7.426 1.00 0.00 C ATOM 320 C SER A 694 9.257 -1.415 -6.347 1.00 0.00 C ATOM 321 O SER A 694 9.445 -2.511 -5.817 1.00 0.00 O ATOM 322 CB SER A 694 8.853 -0.837 -8.747 1.00 0.00 C ATOM 323 OG SER A 694 9.116 0.555 -8.784 1.00 0.00 O ATOM 0 H SER A 694 7.053 0.497 -7.716 1.00 0.00 H new ATOM 0 HA SER A 694 7.675 -2.189 -7.560 1.00 0.00 H new ATOM 0 HB2 SER A 694 9.784 -1.389 -8.875 1.00 0.00 H new ATOM 0 HB3 SER A 694 8.204 -1.110 -9.579 1.00 0.00 H new ATOM 0 HG SER A 694 9.539 0.785 -9.637 1.00 0.00 H new ATOM 329 N LYS A 695 9.951 -0.329 -6.026 1.00 0.00 N ATOM 330 CA LYS A 695 10.996 -0.361 -5.009 1.00 0.00 C ATOM 331 C LYS A 695 10.405 -0.637 -3.630 1.00 0.00 C ATOM 332 O LYS A 695 11.052 -1.245 -2.776 1.00 0.00 O ATOM 333 CB LYS A 695 11.760 0.965 -4.992 1.00 0.00 C ATOM 334 CG LYS A 695 12.291 1.379 -6.353 1.00 0.00 C ATOM 335 CD LYS A 695 12.806 2.808 -6.340 1.00 0.00 C ATOM 336 CE LYS A 695 14.024 2.953 -5.440 1.00 0.00 C ATOM 337 NZ LYS A 695 14.915 4.059 -5.887 1.00 0.00 N ATOM 0 H LYS A 695 9.809 0.585 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 695 11.686 -1.168 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 695 11.103 1.748 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 695 12.594 0.885 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 695 13.094 0.705 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 695 11.501 1.283 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 695 13.063 3.112 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 695 12.017 3.477 -5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 695 13.699 3.139 -4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 695 14.583 2.017 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 695 15.733 4.125 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 695 15.246 3.869 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 695 14.389 4.956 -5.871 1.00 0.00 H new ATOM 351 N LEU A 696 9.172 -0.189 -3.419 1.00 0.00 N ATOM 352 CA LEU A 696 8.493 -0.390 -2.144 1.00 0.00 C ATOM 353 C LEU A 696 8.316 -1.876 -1.849 1.00 0.00 C ATOM 354 O LEU A 696 8.475 -2.316 -0.711 1.00 0.00 O ATOM 355 CB LEU A 696 7.130 0.305 -2.154 1.00 0.00 C ATOM 356 CG LEU A 696 6.179 -0.065 -1.016 1.00 0.00 C ATOM 357 CD1 LEU A 696 6.721 0.431 0.315 1.00 0.00 C ATOM 358 CD2 LEU A 696 4.791 0.504 -1.274 1.00 0.00 C ATOM 0 H LEU A 696 8.622 0.316 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 696 9.111 0.046 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 696 7.294 1.382 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.637 0.080 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 696 6.102 -1.151 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 696 6.031 0.158 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 696 7.693 -0.024 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 696 6.829 1.515 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 696 4.127 0.231 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 696 4.851 1.590 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 696 4.400 0.099 -2.207 1.00 0.00 H new ATOM 370 N ALA A 697 7.988 -2.644 -2.883 1.00 0.00 N ATOM 371 CA ALA A 697 7.795 -4.081 -2.736 1.00 0.00 C ATOM 372 C ALA A 697 9.020 -4.740 -2.112 1.00 0.00 C ATOM 373 O ALA A 697 8.898 -5.639 -1.280 1.00 0.00 O ATOM 374 CB ALA A 697 7.483 -4.713 -4.084 1.00 0.00 C ATOM 0 H ALA A 697 7.850 -2.295 -3.831 1.00 0.00 H new ATOM 0 HA ALA A 697 6.949 -4.241 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 697 7.341 -5.786 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 697 6.573 -4.272 -4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 697 8.311 -4.534 -4.770 1.00 0.00 H new ATOM 380 N ARG A 698 10.201 -4.286 -2.519 1.00 0.00 N ATOM 381 CA ARG A 698 11.450 -4.833 -2.000 1.00 0.00 C ATOM 382 C ARG A 698 11.678 -4.393 -0.557 1.00 0.00 C ATOM 383 O ARG A 698 12.329 -5.092 0.220 1.00 0.00 O ATOM 384 CB ARG A 698 12.626 -4.389 -2.872 1.00 0.00 C ATOM 385 CG ARG A 698 12.878 -5.299 -4.063 1.00 0.00 C ATOM 386 CD ARG A 698 11.693 -5.311 -5.016 1.00 0.00 C ATOM 387 NE ARG A 698 10.702 -6.316 -4.644 1.00 0.00 N ATOM 388 CZ ARG A 698 9.780 -6.784 -5.479 1.00 0.00 C ATOM 389 NH1 ARG A 698 9.725 -6.339 -6.726 1.00 0.00 N ATOM 390 NH2 ARG A 698 8.912 -7.699 -5.066 1.00 0.00 N ATOM 0 H ARG A 698 10.320 -3.541 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 698 11.379 -5.920 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 698 12.439 -3.377 -3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 698 13.527 -4.348 -2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 698 13.770 -4.966 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 698 13.075 -6.312 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 698 11.225 -4.327 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 698 12.045 -5.506 -6.029 1.00 0.00 H new ATOM 0 HE ARG A 698 10.718 -6.679 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 698 10.391 -5.636 -7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 698 9.017 -6.699 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 698 8.952 -8.044 -4.107 1.00 0.00 H new ATOM 0 HH22 ARG A 698 8.205 -8.057 -5.708 1.00 0.00 H new ATOM 404 N HIS A 699 11.137 -3.231 -0.205 1.00 0.00 N ATOM 405 CA HIS A 699 11.282 -2.698 1.145 1.00 0.00 C ATOM 406 C HIS A 699 10.477 -3.523 2.144 1.00 0.00 C ATOM 407 O HIS A 699 10.886 -3.696 3.291 1.00 0.00 O ATOM 408 CB HIS A 699 10.830 -1.238 1.190 1.00 0.00 C ATOM 409 CG HIS A 699 10.775 -0.671 2.576 1.00 0.00 C ATOM 410 ND1 HIS A 699 11.880 -0.166 3.227 1.00 0.00 N ATOM 411 CD2 HIS A 699 9.738 -0.530 3.434 1.00 0.00 C ATOM 412 CE1 HIS A 699 11.526 0.260 4.426 1.00 0.00 C ATOM 413 NE2 HIS A 699 10.230 0.051 4.576 1.00 0.00 N ATOM 0 H HIS A 699 10.594 -2.641 -0.836 1.00 0.00 H new ATOM 0 HA HIS A 699 12.335 -2.753 1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 699 11.510 -0.637 0.587 1.00 0.00 H new ATOM 0 HB3 HIS A 699 9.843 -1.157 0.734 1.00 0.00 H new ATOM 0 HD1 HIS A 699 12.824 -0.127 2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 699 8.714 -0.821 3.254 1.00 0.00 H new ATOM 0 HE1 HIS A 699 12.184 0.704 5.159 1.00 0.00 H new ATOM 421 N GLN A 700 9.331 -4.029 1.699 1.00 0.00 N ATOM 422 CA GLN A 700 8.469 -4.835 2.555 1.00 0.00 C ATOM 423 C GLN A 700 9.212 -6.060 3.077 1.00 0.00 C ATOM 424 O GLN A 700 8.840 -6.635 4.100 1.00 0.00 O ATOM 425 CB GLN A 700 7.218 -5.270 1.790 1.00 0.00 C ATOM 426 CG GLN A 700 6.424 -4.109 1.213 1.00 0.00 C ATOM 427 CD GLN A 700 4.947 -4.422 1.077 1.00 0.00 C ATOM 428 OE1 GLN A 700 4.499 -5.518 1.418 1.00 0.00 O ATOM 429 NE2 GLN A 700 4.180 -3.460 0.578 1.00 0.00 N ATOM 0 H GLN A 700 8.978 -3.895 0.751 1.00 0.00 H new ATOM 0 HA GLN A 700 8.171 -4.223 3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 700 7.511 -5.937 0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 700 6.575 -5.843 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 700 6.549 -3.235 1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 700 6.828 -3.848 0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 700 4.593 -2.567 0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 700 3.178 -3.614 0.464 1.00 0.00 H new ATOM 438 N ARG A 701 10.264 -6.456 2.367 1.00 0.00 N ATOM 439 CA ARG A 701 11.058 -7.614 2.758 1.00 0.00 C ATOM 440 C ARG A 701 11.494 -7.507 4.216 1.00 0.00 C ATOM 441 O ARG A 701 11.376 -8.464 4.982 1.00 0.00 O ATOM 442 CB ARG A 701 12.286 -7.745 1.856 1.00 0.00 C ATOM 443 CG ARG A 701 11.945 -7.987 0.394 1.00 0.00 C ATOM 444 CD ARG A 701 11.386 -9.384 0.177 1.00 0.00 C ATOM 445 NE ARG A 701 12.353 -10.421 0.527 1.00 0.00 N ATOM 446 CZ ARG A 701 13.382 -10.757 -0.243 1.00 0.00 C ATOM 447 NH1 ARG A 701 13.576 -10.141 -1.401 1.00 0.00 N ATOM 448 NH2 ARG A 701 14.218 -11.711 0.144 1.00 0.00 N ATOM 0 H ARG A 701 10.586 -5.991 1.518 1.00 0.00 H new ATOM 0 HA ARG A 701 10.437 -8.503 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 701 12.883 -6.837 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 701 12.905 -8.566 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 701 11.217 -7.247 0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 701 12.838 -7.852 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 701 10.485 -9.511 0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 701 11.093 -9.499 -0.867 1.00 0.00 H new ATOM 0 HE ARG A 701 12.232 -10.914 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 701 12.934 -9.407 -1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 701 14.367 -10.401 -1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 701 14.071 -12.188 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 701 15.008 -11.968 -0.448 1.00 0.00 H new ATOM 462 N VAL A 702 11.998 -6.336 4.594 1.00 0.00 N ATOM 463 CA VAL A 702 12.451 -6.104 5.960 1.00 0.00 C ATOM 464 C VAL A 702 11.370 -6.476 6.968 1.00 0.00 C ATOM 465 O VAL A 702 11.667 -6.885 8.091 1.00 0.00 O ATOM 466 CB VAL A 702 12.854 -4.633 6.175 1.00 0.00 C ATOM 467 CG1 VAL A 702 13.908 -4.214 5.162 1.00 0.00 C ATOM 468 CG2 VAL A 702 11.633 -3.729 6.091 1.00 0.00 C ATOM 0 H VAL A 702 12.103 -5.534 3.973 1.00 0.00 H new ATOM 0 HA VAL A 702 13.323 -6.739 6.117 1.00 0.00 H new ATOM 0 HB VAL A 702 13.284 -4.534 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 702 14.180 -3.172 5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 702 14.791 -4.842 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 702 13.509 -4.327 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 702 11.936 -2.693 6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 702 11.172 -3.830 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 702 10.915 -4.015 6.859 1.00 0.00 H new ATOM 478 N HIS A 703 10.113 -6.331 6.561 1.00 0.00 N ATOM 479 CA HIS A 703 8.985 -6.653 7.428 1.00 0.00 C ATOM 480 C HIS A 703 8.399 -8.016 7.074 1.00 0.00 C ATOM 481 O HIS A 703 7.187 -8.223 7.156 1.00 0.00 O ATOM 482 CB HIS A 703 7.906 -5.576 7.319 1.00 0.00 C ATOM 483 CG HIS A 703 8.434 -4.182 7.462 1.00 0.00 C ATOM 484 ND1 HIS A 703 8.959 -3.693 8.640 1.00 0.00 N ATOM 485 CD2 HIS A 703 8.518 -3.170 6.567 1.00 0.00 C ATOM 486 CE1 HIS A 703 9.341 -2.441 8.463 1.00 0.00 C ATOM 487 NE2 HIS A 703 9.085 -2.100 7.213 1.00 0.00 N ATOM 0 H HIS A 703 9.850 -5.992 5.636 1.00 0.00 H new ATOM 0 HA HIS A 703 9.348 -6.689 8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 703 7.407 -5.670 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 703 7.152 -5.750 8.086 1.00 0.00 H new ATOM 0 HD1 HIS A 703 9.040 -4.216 9.512 1.00 0.00 H new ATOM 0 HD2 HIS A 703 8.198 -3.199 5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 703 9.787 -1.804 9.213 1.00 0.00 H new ATOM 495 N THR A 704 9.265 -8.943 6.678 1.00 0.00 N ATOM 496 CA THR A 704 8.833 -10.285 6.308 1.00 0.00 C ATOM 497 C THR A 704 9.595 -11.345 7.096 1.00 0.00 C ATOM 498 O THR A 704 10.822 -11.305 7.183 1.00 0.00 O ATOM 499 CB THR A 704 9.027 -10.543 4.802 1.00 0.00 C ATOM 500 OG1 THR A 704 8.415 -9.495 4.043 1.00 0.00 O ATOM 501 CG2 THR A 704 8.429 -11.883 4.401 1.00 0.00 C ATOM 0 H THR A 704 10.271 -8.789 6.605 1.00 0.00 H new ATOM 0 HA THR A 704 7.772 -10.352 6.546 1.00 0.00 H new ATOM 0 HB THR A 704 10.097 -10.564 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 704 8.897 -8.656 4.196 1.00 0.00 H new ATOM 0 HG21 THR A 704 8.578 -12.043 3.333 1.00 0.00 H new ATOM 0 HG22 THR A 704 8.918 -12.681 4.959 1.00 0.00 H new ATOM 0 HG23 THR A 704 7.362 -11.886 4.623 1.00 0.00 H new ATOM 509 N GLY A 705 8.860 -12.293 7.669 1.00 0.00 N ATOM 510 CA GLY A 705 9.484 -13.350 8.442 1.00 0.00 C ATOM 511 C GLY A 705 8.470 -14.288 9.067 1.00 0.00 C ATOM 512 O GLY A 705 7.766 -15.009 8.361 1.00 0.00 O ATOM 0 H GLY A 705 7.843 -12.348 7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 705 10.153 -13.920 7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 705 10.098 -12.908 9.227 1.00 0.00 H new ATOM 516 N GLU A 706 8.397 -14.279 10.394 1.00 0.00 N ATOM 517 CA GLU A 706 7.463 -15.138 11.113 1.00 0.00 C ATOM 518 C GLU A 706 6.162 -14.398 11.410 1.00 0.00 C ATOM 519 O GLU A 706 5.713 -14.344 12.555 1.00 0.00 O ATOM 520 CB GLU A 706 8.091 -15.633 12.418 1.00 0.00 C ATOM 521 CG GLU A 706 9.029 -16.814 12.232 1.00 0.00 C ATOM 522 CD GLU A 706 10.450 -16.387 11.921 1.00 0.00 C ATOM 523 OE1 GLU A 706 10.687 -15.169 11.784 1.00 0.00 O ATOM 524 OE2 GLU A 706 11.326 -17.271 11.815 1.00 0.00 O ATOM 0 H GLU A 706 8.973 -13.687 10.993 1.00 0.00 H new ATOM 0 HA GLU A 706 7.237 -15.996 10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 706 8.640 -14.813 12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 706 7.297 -15.916 13.109 1.00 0.00 H new ATOM 0 HG2 GLU A 706 9.026 -17.422 13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 706 8.658 -17.444 11.424 1.00 0.00 H new ATOM 531 N LYS A 707 5.561 -13.829 10.371 1.00 0.00 N ATOM 532 CA LYS A 707 4.312 -13.092 10.518 1.00 0.00 C ATOM 533 C LYS A 707 3.729 -12.731 9.155 1.00 0.00 C ATOM 534 O LYS A 707 3.683 -11.565 8.763 1.00 0.00 O ATOM 535 CB LYS A 707 4.539 -11.822 11.341 1.00 0.00 C ATOM 536 CG LYS A 707 3.253 -11.127 11.755 1.00 0.00 C ATOM 537 CD LYS A 707 3.525 -9.959 12.688 1.00 0.00 C ATOM 538 CE LYS A 707 3.993 -8.732 11.921 1.00 0.00 C ATOM 539 NZ LYS A 707 4.019 -7.517 12.783 1.00 0.00 N ATOM 0 H LYS A 707 5.919 -13.864 9.417 1.00 0.00 H new ATOM 0 HA LYS A 707 3.600 -13.733 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 707 5.109 -12.075 12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 707 5.147 -11.127 10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 707 2.729 -10.771 10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 707 2.595 -11.842 12.248 1.00 0.00 H new ATOM 0 HD2 LYS A 707 2.620 -9.718 13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 707 4.282 -10.244 13.418 1.00 0.00 H new ATOM 0 HE2 LYS A 707 4.990 -8.913 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 707 3.332 -8.561 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 4.343 -6.702 12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 3.063 -7.329 13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 4.669 -7.671 13.580 1.00 0.00 H new ATOM 553 N PRO A 708 3.272 -13.753 8.417 1.00 0.00 N ATOM 554 CA PRO A 708 2.682 -13.567 7.088 1.00 0.00 C ATOM 555 C PRO A 708 1.325 -12.874 7.147 1.00 0.00 C ATOM 556 O PRO A 708 0.283 -13.529 7.145 1.00 0.00 O ATOM 557 CB PRO A 708 2.531 -14.997 6.564 1.00 0.00 C ATOM 558 CG PRO A 708 2.436 -15.841 7.788 1.00 0.00 C ATOM 559 CD PRO A 708 3.295 -15.168 8.822 1.00 0.00 C ATOM 0 HA PRO A 708 3.298 -12.929 6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 708 1.641 -15.099 5.943 1.00 0.00 H new ATOM 0 HB3 PRO A 708 3.384 -15.286 5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 708 1.404 -15.919 8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 708 2.784 -16.855 7.591 1.00 0.00 H new ATOM 0 HD2 PRO A 708 2.896 -15.305 9.827 1.00 0.00 H new ATOM 0 HD3 PRO A 708 4.309 -15.569 8.825 1.00 0.00 H new ATOM 567 N SER A 709 1.345 -11.546 7.200 1.00 0.00 N ATOM 568 CA SER A 709 0.115 -10.765 7.264 1.00 0.00 C ATOM 569 C SER A 709 -0.438 -10.508 5.866 1.00 0.00 C ATOM 570 O SER A 709 -0.107 -9.508 5.229 1.00 0.00 O ATOM 571 CB SER A 709 0.367 -9.436 7.978 1.00 0.00 C ATOM 572 OG SER A 709 1.021 -9.639 9.219 1.00 0.00 O ATOM 0 H SER A 709 2.199 -10.988 7.200 1.00 0.00 H new ATOM 0 HA SER A 709 -0.622 -11.338 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 709 0.974 -8.789 7.345 1.00 0.00 H new ATOM 0 HB3 SER A 709 -0.580 -8.923 8.142 1.00 0.00 H new ATOM 0 HG SER A 709 1.172 -8.774 9.655 1.00 0.00 H new ATOM 578 N GLY A 710 -1.283 -11.419 5.393 1.00 0.00 N ATOM 579 CA GLY A 710 -1.869 -11.273 4.073 1.00 0.00 C ATOM 580 C GLY A 710 -1.175 -12.131 3.033 1.00 0.00 C ATOM 581 O GLY A 710 -0.312 -12.950 3.348 1.00 0.00 O ATOM 0 H GLY A 710 -1.572 -12.255 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 710 -2.925 -11.542 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 710 -1.818 -10.227 3.770 1.00 0.00 H new ATOM 585 N PRO A 711 -1.556 -11.948 1.760 1.00 0.00 N ATOM 586 CA PRO A 711 -0.978 -12.703 0.645 1.00 0.00 C ATOM 587 C PRO A 711 0.470 -12.314 0.370 1.00 0.00 C ATOM 588 O PRO A 711 0.800 -11.131 0.288 1.00 0.00 O ATOM 589 CB PRO A 711 -1.868 -12.322 -0.541 1.00 0.00 C ATOM 590 CG PRO A 711 -2.423 -10.986 -0.184 1.00 0.00 C ATOM 591 CD PRO A 711 -2.580 -10.989 1.312 1.00 0.00 C ATOM 0 HA PRO A 711 -0.951 -13.773 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 711 -1.296 -12.278 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 711 -2.662 -13.053 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 711 -1.754 -10.187 -0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 711 -3.381 -10.817 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 711 -2.415 -9.998 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 711 -3.581 -11.301 1.611 1.00 0.00 H new ATOM 599 N SER A 712 1.331 -13.317 0.229 1.00 0.00 N ATOM 600 CA SER A 712 2.746 -13.079 -0.034 1.00 0.00 C ATOM 601 C SER A 712 2.956 -12.569 -1.456 1.00 0.00 C ATOM 602 O SER A 712 2.835 -13.322 -2.422 1.00 0.00 O ATOM 603 CB SER A 712 3.549 -14.362 0.184 1.00 0.00 C ATOM 604 OG SER A 712 4.885 -14.070 0.557 1.00 0.00 O ATOM 0 H SER A 712 1.074 -14.302 0.292 1.00 0.00 H new ATOM 0 HA SER A 712 3.097 -12.317 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 712 3.075 -14.964 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 712 3.545 -14.957 -0.729 1.00 0.00 H new ATOM 0 HG SER A 712 5.377 -14.907 0.692 1.00 0.00 H new ATOM 610 N SER A 713 3.272 -11.283 -1.576 1.00 0.00 N ATOM 611 CA SER A 713 3.496 -10.670 -2.880 1.00 0.00 C ATOM 612 C SER A 713 4.974 -10.717 -3.256 1.00 0.00 C ATOM 613 O SER A 713 5.727 -9.785 -2.975 1.00 0.00 O ATOM 614 CB SER A 713 3.005 -9.221 -2.876 1.00 0.00 C ATOM 615 OG SER A 713 1.621 -9.152 -2.578 1.00 0.00 O ATOM 0 H SER A 713 3.379 -10.646 -0.786 1.00 0.00 H new ATOM 0 HA SER A 713 2.932 -11.236 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 713 3.568 -8.645 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 713 3.194 -8.767 -3.849 1.00 0.00 H new ATOM 0 HG SER A 713 1.332 -8.216 -2.580 1.00 0.00 H new ATOM 621 N GLY A 714 5.382 -11.810 -3.894 1.00 0.00 N ATOM 622 CA GLY A 714 6.767 -11.959 -4.298 1.00 0.00 C ATOM 623 C GLY A 714 6.975 -11.673 -5.772 1.00 0.00 C ATOM 624 O GLY A 714 6.515 -12.453 -6.604 1.00 0.00 O ATOM 0 H GLY A 714 4.778 -12.595 -4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 714 7.389 -11.285 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 714 7.099 -12.973 -4.077 1.00 0.00 H new TER 628 GLY A 714 HETATM 629 ZN ZN A 201 9.030 -0.317 6.247 1.00 0.00 ZN