USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=15 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 679 LYS NZ :NH3+ -134:sc= -0.346 (180deg=-0.175) USER MOD Set 1.2: A 682 GLN : amide:sc= -4.55! C(o=-4.9!,f=-7!) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : A 671 SER OG : rot 180:sc= -0.519 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 SER OG : rot 48:sc= 0.0621 USER MOD Single : A 676 THR OG1 : rot 180:sc= 0 USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 ASN : amide:sc= -0.286 K(o=-0.29,f=-5.2!) USER MOD Single : A 688 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0283) USER MOD Single : A 691 SER OG : rot 180:sc= 0 USER MOD Single : A 692 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 693 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 694 SER OG : rot 180:sc= 0 USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.3) USER MOD Single : A 704 THR OG1 : rot 180:sc= 0 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= 0.0113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 669 -22.949 11.040 19.503 1.00 0.00 N ATOM 2 CA GLY A 669 -22.897 12.259 18.717 1.00 0.00 C ATOM 3 C GLY A 669 -21.679 12.316 17.816 1.00 0.00 C ATOM 4 O GLY A 669 -20.683 11.636 18.064 1.00 0.00 O ATOM 0 HA2 GLY A 669 -23.799 12.335 18.109 1.00 0.00 H new ATOM 0 HA3 GLY A 669 -22.891 13.119 19.386 1.00 0.00 H new ATOM 8 N SER A 670 -21.757 13.128 16.767 1.00 0.00 N ATOM 9 CA SER A 670 -20.654 13.267 15.824 1.00 0.00 C ATOM 10 C SER A 670 -19.845 14.527 16.116 1.00 0.00 C ATOM 11 O SER A 670 -20.322 15.442 16.787 1.00 0.00 O ATOM 12 CB SER A 670 -21.185 13.309 14.389 1.00 0.00 C ATOM 13 OG SER A 670 -21.517 14.633 14.007 1.00 0.00 O ATOM 0 H SER A 670 -22.573 13.700 16.549 1.00 0.00 H new ATOM 0 HA SER A 670 -20.000 12.402 15.937 1.00 0.00 H new ATOM 0 HB2 SER A 670 -20.434 12.908 13.708 1.00 0.00 H new ATOM 0 HB3 SER A 670 -22.065 12.671 14.305 1.00 0.00 H new ATOM 0 HG SER A 670 -21.852 14.633 13.086 1.00 0.00 H new ATOM 19 N SER A 671 -18.618 14.566 15.606 1.00 0.00 N ATOM 20 CA SER A 671 -17.740 15.712 15.815 1.00 0.00 C ATOM 21 C SER A 671 -16.671 15.782 14.728 1.00 0.00 C ATOM 22 O SER A 671 -16.452 14.819 13.995 1.00 0.00 O ATOM 23 CB SER A 671 -17.079 15.630 17.192 1.00 0.00 C ATOM 24 OG SER A 671 -18.007 15.219 18.180 1.00 0.00 O ATOM 0 H SER A 671 -18.209 13.818 15.046 1.00 0.00 H new ATOM 0 HA SER A 671 -18.345 16.617 15.764 1.00 0.00 H new ATOM 0 HB2 SER A 671 -16.246 14.928 17.157 1.00 0.00 H new ATOM 0 HB3 SER A 671 -16.666 16.603 17.459 1.00 0.00 H new ATOM 0 HG SER A 671 -17.559 15.173 19.050 1.00 0.00 H new ATOM 30 N GLY A 672 -16.009 16.931 14.631 1.00 0.00 N ATOM 31 CA GLY A 672 -14.971 17.107 13.632 1.00 0.00 C ATOM 32 C GLY A 672 -13.578 17.004 14.219 1.00 0.00 C ATOM 33 O GLY A 672 -12.851 17.995 14.290 1.00 0.00 O ATOM 0 H GLY A 672 -16.173 17.743 15.226 1.00 0.00 H new ATOM 0 HA2 GLY A 672 -15.090 16.354 12.853 1.00 0.00 H new ATOM 0 HA3 GLY A 672 -15.090 18.080 13.156 1.00 0.00 H new ATOM 37 N SER A 673 -13.203 15.801 14.644 1.00 0.00 N ATOM 38 CA SER A 673 -11.889 15.573 15.233 1.00 0.00 C ATOM 39 C SER A 673 -10.846 15.311 14.151 1.00 0.00 C ATOM 40 O SER A 673 -11.182 15.135 12.980 1.00 0.00 O ATOM 41 CB SER A 673 -11.940 14.392 16.205 1.00 0.00 C ATOM 42 OG SER A 673 -12.417 13.223 15.561 1.00 0.00 O ATOM 0 H SER A 673 -13.791 14.969 14.591 1.00 0.00 H new ATOM 0 HA SER A 673 -11.602 16.472 15.779 1.00 0.00 H new ATOM 0 HB2 SER A 673 -10.945 14.208 16.611 1.00 0.00 H new ATOM 0 HB3 SER A 673 -12.587 14.637 17.047 1.00 0.00 H new ATOM 0 HG SER A 673 -12.439 12.482 16.202 1.00 0.00 H new ATOM 48 N SER A 674 -9.579 15.287 14.553 1.00 0.00 N ATOM 49 CA SER A 674 -8.486 15.051 13.618 1.00 0.00 C ATOM 50 C SER A 674 -8.223 13.556 13.456 1.00 0.00 C ATOM 51 O SER A 674 -7.743 12.896 14.376 1.00 0.00 O ATOM 52 CB SER A 674 -7.215 15.754 14.098 1.00 0.00 C ATOM 53 OG SER A 674 -7.060 15.626 15.501 1.00 0.00 O ATOM 0 H SER A 674 -9.285 15.428 15.519 1.00 0.00 H new ATOM 0 HA SER A 674 -8.775 15.459 12.649 1.00 0.00 H new ATOM 0 HB2 SER A 674 -6.348 15.329 13.593 1.00 0.00 H new ATOM 0 HB3 SER A 674 -7.255 16.809 13.828 1.00 0.00 H new ATOM 0 HG SER A 674 -7.196 14.691 15.761 1.00 0.00 H new ATOM 59 N GLY A 675 -8.542 13.030 12.277 1.00 0.00 N ATOM 60 CA GLY A 675 -8.333 11.618 12.014 1.00 0.00 C ATOM 61 C GLY A 675 -8.075 11.333 10.548 1.00 0.00 C ATOM 62 O GLY A 675 -8.979 10.929 9.816 1.00 0.00 O ATOM 0 H GLY A 675 -8.941 13.556 11.500 1.00 0.00 H new ATOM 0 HA2 GLY A 675 -7.488 11.263 12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 675 -9.208 11.057 12.341 1.00 0.00 H new ATOM 66 N THR A 676 -6.836 11.545 10.115 1.00 0.00 N ATOM 67 CA THR A 676 -6.461 11.311 8.726 1.00 0.00 C ATOM 68 C THR A 676 -5.166 10.512 8.633 1.00 0.00 C ATOM 69 O THR A 676 -4.140 10.906 9.186 1.00 0.00 O ATOM 70 CB THR A 676 -6.289 12.636 7.960 1.00 0.00 C ATOM 71 OG1 THR A 676 -7.298 13.569 8.361 1.00 0.00 O ATOM 72 CG2 THR A 676 -6.370 12.408 6.458 1.00 0.00 C ATOM 0 H THR A 676 -6.075 11.878 10.707 1.00 0.00 H new ATOM 0 HA THR A 676 -7.271 10.740 8.272 1.00 0.00 H new ATOM 0 HB THR A 676 -5.305 13.041 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 676 -7.180 14.409 7.870 1.00 0.00 H new ATOM 0 HG21 THR A 676 -6.246 13.358 5.939 1.00 0.00 H new ATOM 0 HG22 THR A 676 -5.581 11.721 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 676 -7.341 11.981 6.207 1.00 0.00 H new ATOM 80 N GLY A 677 -5.221 9.385 7.930 1.00 0.00 N ATOM 81 CA GLY A 677 -4.045 8.548 7.777 1.00 0.00 C ATOM 82 C GLY A 677 -3.861 8.061 6.353 1.00 0.00 C ATOM 83 O GLY A 677 -2.893 8.424 5.686 1.00 0.00 O ATOM 0 H GLY A 677 -6.059 9.037 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 677 -3.162 9.108 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 677 -4.125 7.689 8.444 1.00 0.00 H new ATOM 87 N GLY A 678 -4.792 7.235 5.886 1.00 0.00 N ATOM 88 CA GLY A 678 -4.709 6.710 4.536 1.00 0.00 C ATOM 89 C GLY A 678 -3.623 5.663 4.387 1.00 0.00 C ATOM 90 O GLY A 678 -3.796 4.516 4.799 1.00 0.00 O ATOM 0 H GLY A 678 -5.603 6.920 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -5.669 6.275 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -4.518 7.529 3.842 1.00 0.00 H new ATOM 94 N LYS A 679 -2.500 6.057 3.796 1.00 0.00 N ATOM 95 CA LYS A 679 -1.381 5.145 3.593 1.00 0.00 C ATOM 96 C LYS A 679 -1.832 3.885 2.860 1.00 0.00 C ATOM 97 O LYS A 679 -1.853 2.788 3.418 1.00 0.00 O ATOM 98 CB LYS A 679 -0.752 4.769 4.936 1.00 0.00 C ATOM 99 CG LYS A 679 -0.322 5.968 5.763 1.00 0.00 C ATOM 100 CD LYS A 679 1.031 6.496 5.317 1.00 0.00 C ATOM 101 CE LYS A 679 2.171 5.725 5.964 1.00 0.00 C ATOM 102 NZ LYS A 679 3.397 6.559 6.103 1.00 0.00 N ATOM 0 H LYS A 679 -2.341 7.003 3.449 1.00 0.00 H new ATOM 0 HA LYS A 679 -0.637 5.654 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -1.467 4.180 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 679 0.114 4.132 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -1.068 6.758 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -0.275 5.688 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 679 1.111 6.424 4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 679 1.113 7.552 5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 679 1.859 5.372 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 679 2.398 4.843 5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 4.225 6.015 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 3.302 7.416 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 3.522 6.829 7.099 1.00 0.00 H new ATOM 116 N PRO A 680 -2.201 4.044 1.580 1.00 0.00 N ATOM 117 CA PRO A 680 -2.656 2.929 0.744 1.00 0.00 C ATOM 118 C PRO A 680 -1.527 1.963 0.402 1.00 0.00 C ATOM 119 O PRO A 680 -1.675 0.748 0.536 1.00 0.00 O ATOM 120 CB PRO A 680 -3.169 3.622 -0.521 1.00 0.00 C ATOM 121 CG PRO A 680 -2.421 4.909 -0.578 1.00 0.00 C ATOM 122 CD PRO A 680 -2.200 5.323 0.851 1.00 0.00 C ATOM 0 HA PRO A 680 -3.407 2.321 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 680 -2.982 3.016 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 680 -4.245 3.791 -0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -1.472 4.786 -1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -2.987 5.666 -1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.257 5.855 0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -2.989 5.987 1.204 1.00 0.00 H new ATOM 130 N TYR A 681 -0.400 2.509 -0.041 1.00 0.00 N ATOM 131 CA TYR A 681 0.753 1.694 -0.404 1.00 0.00 C ATOM 132 C TYR A 681 1.941 1.996 0.504 1.00 0.00 C ATOM 133 O TYR A 681 2.758 1.120 0.786 1.00 0.00 O ATOM 134 CB TYR A 681 1.138 1.940 -1.864 1.00 0.00 C ATOM 135 CG TYR A 681 1.515 3.374 -2.158 1.00 0.00 C ATOM 136 CD1 TYR A 681 2.807 3.833 -1.935 1.00 0.00 C ATOM 137 CD2 TYR A 681 0.579 4.270 -2.660 1.00 0.00 C ATOM 138 CE1 TYR A 681 3.156 5.143 -2.201 1.00 0.00 C ATOM 139 CE2 TYR A 681 0.920 5.582 -2.930 1.00 0.00 C ATOM 140 CZ TYR A 681 2.209 6.013 -2.699 1.00 0.00 C ATOM 141 OH TYR A 681 2.553 7.318 -2.967 1.00 0.00 O ATOM 0 H TYR A 681 -0.260 3.513 -0.157 1.00 0.00 H new ATOM 0 HA TYR A 681 0.480 0.646 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 681 1.975 1.293 -2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 681 0.303 1.654 -2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.552 3.154 -1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 681 -0.432 3.936 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 681 4.165 5.484 -2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 681 0.181 6.266 -3.320 1.00 0.00 H new ATOM 0 HH TYR A 681 1.772 7.798 -3.313 1.00 0.00 H new ATOM 151 N GLN A 682 2.028 3.242 0.958 1.00 0.00 N ATOM 152 CA GLN A 682 3.116 3.660 1.835 1.00 0.00 C ATOM 153 C GLN A 682 3.242 2.723 3.032 1.00 0.00 C ATOM 154 O GLN A 682 2.263 2.452 3.728 1.00 0.00 O ATOM 155 CB GLN A 682 2.888 5.094 2.317 1.00 0.00 C ATOM 156 CG GLN A 682 4.125 5.736 2.923 1.00 0.00 C ATOM 157 CD GLN A 682 4.028 7.247 2.985 1.00 0.00 C ATOM 158 OE1 GLN A 682 3.113 7.846 2.418 1.00 0.00 O ATOM 159 NE2 GLN A 682 4.972 7.874 3.677 1.00 0.00 N ATOM 0 H GLN A 682 1.359 3.979 0.734 1.00 0.00 H new ATOM 0 HA GLN A 682 4.044 3.618 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 682 2.548 5.701 1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 682 2.088 5.097 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 682 4.277 5.344 3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 682 5.000 5.456 2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 682 5.712 7.339 4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 682 4.957 8.891 3.754 1.00 0.00 H new ATOM 168 N CYS A 683 4.453 2.229 3.265 1.00 0.00 N ATOM 169 CA CYS A 683 4.708 1.321 4.377 1.00 0.00 C ATOM 170 C CYS A 683 4.189 1.906 5.687 1.00 0.00 C ATOM 171 O CYS A 683 4.358 3.093 5.959 1.00 0.00 O ATOM 172 CB CYS A 683 6.206 1.031 4.493 1.00 0.00 C ATOM 173 SG CYS A 683 6.640 -0.109 5.846 1.00 0.00 S ATOM 0 H CYS A 683 5.274 2.442 2.698 1.00 0.00 H new ATOM 0 HA CYS A 683 4.178 0.389 4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 683 6.558 0.610 3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 683 6.737 1.971 4.640 1.00 0.00 H new ATOM 178 N ASN A 684 3.556 1.062 6.496 1.00 0.00 N ATOM 179 CA ASN A 684 3.011 1.494 7.777 1.00 0.00 C ATOM 180 C ASN A 684 3.800 0.891 8.935 1.00 0.00 C ATOM 181 O ASN A 684 3.850 1.458 10.026 1.00 0.00 O ATOM 182 CB ASN A 684 1.537 1.098 7.889 1.00 0.00 C ATOM 183 CG ASN A 684 0.690 1.708 6.789 1.00 0.00 C ATOM 184 OD1 ASN A 684 0.172 2.816 6.931 1.00 0.00 O ATOM 185 ND2 ASN A 684 0.544 0.985 5.685 1.00 0.00 N ATOM 0 H ASN A 684 3.408 0.075 6.286 1.00 0.00 H new ATOM 0 HA ASN A 684 3.093 2.580 7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 684 1.451 0.012 7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 684 1.151 1.414 8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 684 -0.016 1.343 4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 684 0.992 0.071 5.611 1.00 0.00 H new ATOM 192 N GLU A 685 4.416 -0.261 8.688 1.00 0.00 N ATOM 193 CA GLU A 685 5.203 -0.940 9.711 1.00 0.00 C ATOM 194 C GLU A 685 6.228 0.007 10.327 1.00 0.00 C ATOM 195 O GLU A 685 6.346 0.103 11.549 1.00 0.00 O ATOM 196 CB GLU A 685 5.911 -2.159 9.115 1.00 0.00 C ATOM 197 CG GLU A 685 4.959 -3.243 8.638 1.00 0.00 C ATOM 198 CD GLU A 685 4.623 -4.244 9.726 1.00 0.00 C ATOM 199 OE1 GLU A 685 5.008 -4.005 10.890 1.00 0.00 O ATOM 200 OE2 GLU A 685 3.976 -5.266 9.415 1.00 0.00 O ATOM 0 H GLU A 685 4.385 -0.743 7.790 1.00 0.00 H new ATOM 0 HA GLU A 685 4.523 -1.271 10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 685 6.529 -1.836 8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 685 6.582 -2.580 9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 685 4.040 -2.781 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 685 5.405 -3.767 7.793 1.00 0.00 H new ATOM 207 N CYS A 686 6.968 0.705 9.472 1.00 0.00 N ATOM 208 CA CYS A 686 7.985 1.644 9.930 1.00 0.00 C ATOM 209 C CYS A 686 7.638 3.069 9.509 1.00 0.00 C ATOM 210 O CYS A 686 8.050 4.035 10.150 1.00 0.00 O ATOM 211 CB CYS A 686 9.356 1.255 9.374 1.00 0.00 C ATOM 212 SG CYS A 686 9.517 1.472 7.573 1.00 0.00 S ATOM 0 H CYS A 686 6.882 0.638 8.458 1.00 0.00 H new ATOM 0 HA CYS A 686 8.018 1.603 11.019 1.00 0.00 H new ATOM 0 HB2 CYS A 686 10.120 1.852 9.871 1.00 0.00 H new ATOM 0 HB3 CYS A 686 9.555 0.212 9.623 1.00 0.00 H new ATOM 217 N GLY A 687 6.878 3.192 8.425 1.00 0.00 N ATOM 218 CA GLY A 687 6.488 4.501 7.936 1.00 0.00 C ATOM 219 C GLY A 687 7.491 5.076 6.954 1.00 0.00 C ATOM 220 O GLY A 687 8.071 6.134 7.196 1.00 0.00 O ATOM 0 H GLY A 687 6.525 2.408 7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 687 5.513 4.430 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 687 6.378 5.183 8.779 1.00 0.00 H new ATOM 224 N LYS A 688 7.696 4.376 5.844 1.00 0.00 N ATOM 225 CA LYS A 688 8.636 4.821 4.822 1.00 0.00 C ATOM 226 C LYS A 688 7.992 4.790 3.440 1.00 0.00 C ATOM 227 O LYS A 688 7.392 3.789 3.046 1.00 0.00 O ATOM 228 CB LYS A 688 9.888 3.941 4.832 1.00 0.00 C ATOM 229 CG LYS A 688 11.046 4.521 4.039 1.00 0.00 C ATOM 230 CD LYS A 688 12.364 3.867 4.417 1.00 0.00 C ATOM 231 CE LYS A 688 12.911 4.427 5.721 1.00 0.00 C ATOM 232 NZ LYS A 688 13.508 5.779 5.537 1.00 0.00 N ATOM 0 H LYS A 688 7.224 3.498 5.629 1.00 0.00 H new ATOM 0 HA LYS A 688 8.920 5.849 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 688 10.206 3.788 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 688 9.636 2.961 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 688 10.863 4.384 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 688 11.108 5.595 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 688 12.223 2.790 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 688 13.091 4.023 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 688 12.109 4.481 6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 688 13.665 3.748 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 14.003 6.061 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 14.183 5.756 4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 12.755 6.466 5.329 1.00 0.00 H new ATOM 246 N ALA A 689 8.120 5.891 2.706 1.00 0.00 N ATOM 247 CA ALA A 689 7.554 5.987 1.367 1.00 0.00 C ATOM 248 C ALA A 689 8.641 5.887 0.302 1.00 0.00 C ATOM 249 O ALA A 689 9.827 6.044 0.595 1.00 0.00 O ATOM 250 CB ALA A 689 6.780 7.289 1.214 1.00 0.00 C ATOM 0 H ALA A 689 8.611 6.729 3.017 1.00 0.00 H new ATOM 0 HA ALA A 689 6.869 5.151 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 689 6.362 7.348 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 689 5.972 7.320 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 689 7.451 8.132 1.378 1.00 0.00 H new ATOM 256 N PHE A 690 8.230 5.626 -0.934 1.00 0.00 N ATOM 257 CA PHE A 690 9.169 5.503 -2.042 1.00 0.00 C ATOM 258 C PHE A 690 8.633 6.199 -3.290 1.00 0.00 C ATOM 259 O PHE A 690 7.426 6.397 -3.433 1.00 0.00 O ATOM 260 CB PHE A 690 9.444 4.029 -2.346 1.00 0.00 C ATOM 261 CG PHE A 690 10.231 3.332 -1.273 1.00 0.00 C ATOM 262 CD1 PHE A 690 9.628 2.963 -0.081 1.00 0.00 C ATOM 263 CD2 PHE A 690 11.574 3.046 -1.456 1.00 0.00 C ATOM 264 CE1 PHE A 690 10.350 2.323 0.908 1.00 0.00 C ATOM 265 CE2 PHE A 690 12.302 2.405 -0.471 1.00 0.00 C ATOM 266 CZ PHE A 690 11.688 2.043 0.712 1.00 0.00 C ATOM 0 H PHE A 690 7.252 5.496 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 690 10.101 5.986 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 690 8.495 3.511 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 690 9.986 3.956 -3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 690 8.581 3.178 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 690 12.058 3.327 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.869 2.042 1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 690 13.348 2.188 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 690 12.254 1.541 1.483 1.00 0.00 H new ATOM 276 N SER A 691 9.539 6.570 -4.189 1.00 0.00 N ATOM 277 CA SER A 691 9.158 7.248 -5.423 1.00 0.00 C ATOM 278 C SER A 691 8.170 6.405 -6.223 1.00 0.00 C ATOM 279 O SER A 691 7.278 6.937 -6.884 1.00 0.00 O ATOM 280 CB SER A 691 10.397 7.544 -6.270 1.00 0.00 C ATOM 281 OG SER A 691 11.441 8.081 -5.477 1.00 0.00 O ATOM 0 H SER A 691 10.542 6.413 -4.086 1.00 0.00 H new ATOM 0 HA SER A 691 8.675 8.188 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A 691 10.738 6.629 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 691 10.140 8.247 -7.063 1.00 0.00 H new ATOM 0 HG SER A 691 12.222 8.260 -6.042 1.00 0.00 H new ATOM 287 N GLN A 692 8.337 5.088 -6.159 1.00 0.00 N ATOM 288 CA GLN A 692 7.460 4.171 -6.878 1.00 0.00 C ATOM 289 C GLN A 692 7.180 2.923 -6.048 1.00 0.00 C ATOM 290 O GLN A 692 7.964 2.557 -5.172 1.00 0.00 O ATOM 291 CB GLN A 692 8.087 3.778 -8.217 1.00 0.00 C ATOM 292 CG GLN A 692 7.804 4.769 -9.335 1.00 0.00 C ATOM 293 CD GLN A 692 6.452 4.547 -9.983 1.00 0.00 C ATOM 294 OE1 GLN A 692 5.446 5.117 -9.559 1.00 0.00 O ATOM 295 NE2 GLN A 692 6.421 3.715 -11.018 1.00 0.00 N ATOM 0 H GLN A 692 9.071 4.632 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 692 6.515 4.681 -7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 692 9.166 3.684 -8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 692 7.714 2.797 -8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 692 7.850 5.783 -8.937 1.00 0.00 H new ATOM 0 HG3 GLN A 692 8.583 4.688 -10.093 1.00 0.00 H new ATOM 0 HE21 GLN A 692 7.279 3.264 -11.336 1.00 0.00 H new ATOM 0 HE22 GLN A 692 5.539 3.527 -11.495 1.00 0.00 H new ATOM 304 N THR A 693 6.056 2.271 -6.330 1.00 0.00 N ATOM 305 CA THR A 693 5.671 1.064 -5.609 1.00 0.00 C ATOM 306 C THR A 693 6.613 -0.091 -5.927 1.00 0.00 C ATOM 307 O THR A 693 6.770 -1.015 -5.129 1.00 0.00 O ATOM 308 CB THR A 693 4.228 0.643 -5.948 1.00 0.00 C ATOM 309 OG1 THR A 693 3.989 0.802 -7.351 1.00 0.00 O ATOM 310 CG2 THR A 693 3.224 1.470 -5.160 1.00 0.00 C ATOM 0 H THR A 693 5.396 2.559 -7.053 1.00 0.00 H new ATOM 0 HA THR A 693 5.733 1.298 -4.546 1.00 0.00 H new ATOM 0 HB THR A 693 4.104 -0.405 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 693 3.071 0.531 -7.559 1.00 0.00 H new ATOM 0 HG21 THR A 693 2.212 1.155 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 693 3.390 1.324 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 693 3.349 2.525 -5.406 1.00 0.00 H new ATOM 318 N SER A 694 7.239 -0.032 -7.098 1.00 0.00 N ATOM 319 CA SER A 694 8.165 -1.075 -7.524 1.00 0.00 C ATOM 320 C SER A 694 9.223 -1.332 -6.455 1.00 0.00 C ATOM 321 O SER A 694 9.437 -2.470 -6.037 1.00 0.00 O ATOM 322 CB SER A 694 8.838 -0.683 -8.841 1.00 0.00 C ATOM 323 OG SER A 694 9.201 -1.831 -9.589 1.00 0.00 O ATOM 0 H SER A 694 7.122 0.727 -7.769 1.00 0.00 H new ATOM 0 HA SER A 694 7.596 -1.992 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 694 8.162 -0.061 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 694 9.725 -0.083 -8.636 1.00 0.00 H new ATOM 0 HG SER A 694 9.628 -1.554 -10.427 1.00 0.00 H new ATOM 329 N LYS A 695 9.883 -0.265 -6.017 1.00 0.00 N ATOM 330 CA LYS A 695 10.919 -0.372 -4.996 1.00 0.00 C ATOM 331 C LYS A 695 10.307 -0.661 -3.629 1.00 0.00 C ATOM 332 O LYS A 695 10.921 -1.322 -2.791 1.00 0.00 O ATOM 333 CB LYS A 695 11.740 0.919 -4.937 1.00 0.00 C ATOM 334 CG LYS A 695 12.791 1.021 -6.028 1.00 0.00 C ATOM 335 CD LYS A 695 14.086 0.337 -5.621 1.00 0.00 C ATOM 336 CE LYS A 695 15.231 0.712 -6.549 1.00 0.00 C ATOM 337 NZ LYS A 695 15.025 0.183 -7.925 1.00 0.00 N ATOM 0 H LYS A 695 9.719 0.684 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 695 11.575 -1.201 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 695 11.066 1.772 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 695 12.229 0.984 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 695 12.411 0.568 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 695 12.987 2.070 -6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 695 14.340 0.615 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 695 13.947 -0.744 -5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 695 15.327 1.797 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 695 16.167 0.324 -6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 695 15.827 0.460 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 695 14.959 -0.854 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 695 14.145 0.573 -8.319 1.00 0.00 H new ATOM 351 N LEU A 696 9.095 -0.162 -3.411 1.00 0.00 N ATOM 352 CA LEU A 696 8.400 -0.369 -2.145 1.00 0.00 C ATOM 353 C LEU A 696 8.200 -1.856 -1.870 1.00 0.00 C ATOM 354 O LEU A 696 8.366 -2.316 -0.741 1.00 0.00 O ATOM 355 CB LEU A 696 7.047 0.345 -2.161 1.00 0.00 C ATOM 356 CG LEU A 696 6.080 -0.024 -1.036 1.00 0.00 C ATOM 357 CD1 LEU A 696 6.614 0.453 0.305 1.00 0.00 C ATOM 358 CD2 LEU A 696 4.702 0.564 -1.303 1.00 0.00 C ATOM 0 H LEU A 696 8.574 0.388 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 696 9.015 0.049 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 696 7.225 1.420 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.560 0.137 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 696 5.990 -1.110 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 696 5.912 0.181 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 696 7.578 -0.016 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 696 6.735 1.536 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 696 4.027 0.291 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 696 4.775 1.650 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 696 4.316 0.173 -2.244 1.00 0.00 H new ATOM 370 N ALA A 697 7.844 -2.602 -2.910 1.00 0.00 N ATOM 371 CA ALA A 697 7.625 -4.037 -2.781 1.00 0.00 C ATOM 372 C ALA A 697 8.833 -4.722 -2.151 1.00 0.00 C ATOM 373 O ALA A 697 8.687 -5.654 -1.360 1.00 0.00 O ATOM 374 CB ALA A 697 7.319 -4.649 -4.141 1.00 0.00 C ATOM 0 H ALA A 697 7.701 -2.236 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 697 6.769 -4.191 -2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 697 7.158 -5.721 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 697 6.422 -4.188 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 697 8.158 -4.477 -4.815 1.00 0.00 H new ATOM 380 N ARG A 698 10.025 -4.255 -2.507 1.00 0.00 N ATOM 381 CA ARG A 698 11.258 -4.824 -1.977 1.00 0.00 C ATOM 382 C ARG A 698 11.466 -4.412 -0.523 1.00 0.00 C ATOM 383 O ARG A 698 11.982 -5.186 0.285 1.00 0.00 O ATOM 384 CB ARG A 698 12.454 -4.378 -2.821 1.00 0.00 C ATOM 385 CG ARG A 698 12.219 -4.489 -4.318 1.00 0.00 C ATOM 386 CD ARG A 698 11.936 -5.924 -4.733 1.00 0.00 C ATOM 387 NE ARG A 698 13.014 -6.829 -4.342 1.00 0.00 N ATOM 388 CZ ARG A 698 12.982 -8.141 -4.547 1.00 0.00 C ATOM 389 NH1 ARG A 698 11.933 -8.698 -5.137 1.00 0.00 N ATOM 390 NH2 ARG A 698 14.002 -8.899 -4.163 1.00 0.00 N ATOM 0 H ARG A 698 10.163 -3.484 -3.160 1.00 0.00 H new ATOM 0 HA ARG A 698 11.176 -5.910 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 698 12.695 -3.344 -2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 698 13.322 -4.980 -2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 698 11.380 -3.854 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 698 13.094 -4.120 -4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 698 11.002 -6.255 -4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 698 11.799 -5.969 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 698 13.836 -6.432 -3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 698 11.148 -8.119 -5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 698 11.911 -9.706 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 698 14.811 -8.474 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 698 13.977 -9.906 -4.321 1.00 0.00 H new ATOM 404 N HIS A 699 11.063 -3.189 -0.196 1.00 0.00 N ATOM 405 CA HIS A 699 11.204 -2.674 1.161 1.00 0.00 C ATOM 406 C HIS A 699 10.423 -3.531 2.152 1.00 0.00 C ATOM 407 O HIS A 699 10.820 -3.678 3.307 1.00 0.00 O ATOM 408 CB HIS A 699 10.723 -1.224 1.232 1.00 0.00 C ATOM 409 CG HIS A 699 10.664 -0.680 2.627 1.00 0.00 C ATOM 410 ND1 HIS A 699 11.768 -0.188 3.289 1.00 0.00 N ATOM 411 CD2 HIS A 699 9.624 -0.552 3.484 1.00 0.00 C ATOM 412 CE1 HIS A 699 11.411 0.219 4.494 1.00 0.00 C ATOM 413 NE2 HIS A 699 10.114 0.009 4.637 1.00 0.00 N ATOM 0 H HIS A 699 10.636 -2.536 -0.852 1.00 0.00 H new ATOM 0 HA HIS A 699 12.260 -2.712 1.429 1.00 0.00 H new ATOM 0 HB2 HIS A 699 11.388 -0.600 0.635 1.00 0.00 H new ATOM 0 HB3 HIS A 699 9.733 -1.156 0.782 1.00 0.00 H new ATOM 0 HD1 HIS A 699 12.713 -0.145 2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 699 8.600 -0.838 3.296 1.00 0.00 H new ATOM 0 HE1 HIS A 699 12.067 0.650 5.236 1.00 0.00 H new ATOM 421 N GLN A 700 9.310 -4.094 1.691 1.00 0.00 N ATOM 422 CA GLN A 700 8.473 -4.935 2.538 1.00 0.00 C ATOM 423 C GLN A 700 9.265 -6.121 3.080 1.00 0.00 C ATOM 424 O GLN A 700 8.904 -6.706 4.101 1.00 0.00 O ATOM 425 CB GLN A 700 7.257 -5.433 1.756 1.00 0.00 C ATOM 426 CG GLN A 700 6.244 -4.343 1.447 1.00 0.00 C ATOM 427 CD GLN A 700 4.890 -4.900 1.051 1.00 0.00 C ATOM 428 OE1 GLN A 700 4.685 -6.114 1.038 1.00 0.00 O ATOM 429 NE2 GLN A 700 3.957 -4.013 0.726 1.00 0.00 N ATOM 0 H GLN A 700 8.968 -3.983 0.737 1.00 0.00 H new ATOM 0 HA GLN A 700 8.132 -4.333 3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 700 7.595 -5.879 0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 700 6.767 -6.222 2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 700 6.128 -3.702 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 700 6.625 -3.716 0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 700 4.171 -3.016 0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 700 3.027 -4.329 0.452 1.00 0.00 H new ATOM 438 N ARG A 701 10.345 -6.470 2.389 1.00 0.00 N ATOM 439 CA ARG A 701 11.187 -7.587 2.801 1.00 0.00 C ATOM 440 C ARG A 701 11.595 -7.450 4.265 1.00 0.00 C ATOM 441 O ARG A 701 11.502 -8.404 5.037 1.00 0.00 O ATOM 442 CB ARG A 701 12.434 -7.665 1.918 1.00 0.00 C ATOM 443 CG ARG A 701 12.163 -8.219 0.529 1.00 0.00 C ATOM 444 CD ARG A 701 12.037 -9.735 0.548 1.00 0.00 C ATOM 445 NE ARG A 701 11.349 -10.242 -0.636 1.00 0.00 N ATOM 446 CZ ARG A 701 11.273 -11.531 -0.946 1.00 0.00 C ATOM 447 NH1 ARG A 701 11.838 -12.439 -0.162 1.00 0.00 N ATOM 448 NH2 ARG A 701 10.629 -11.915 -2.041 1.00 0.00 N ATOM 0 H ARG A 701 10.658 -5.996 1.542 1.00 0.00 H new ATOM 0 HA ARG A 701 10.611 -8.505 2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 701 12.866 -6.668 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 701 13.179 -8.290 2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 701 11.246 -7.782 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 701 12.970 -7.928 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 701 13.030 -10.180 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 701 11.494 -10.042 1.442 1.00 0.00 H new ATOM 0 HE ARG A 701 10.902 -9.569 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 701 12.332 -12.148 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 701 11.778 -13.428 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 701 10.192 -11.220 -2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 701 10.571 -12.905 -2.278 1.00 0.00 H new ATOM 462 N VAL A 702 12.047 -6.258 4.639 1.00 0.00 N ATOM 463 CA VAL A 702 12.468 -5.996 6.010 1.00 0.00 C ATOM 464 C VAL A 702 11.393 -6.416 7.006 1.00 0.00 C ATOM 465 O VAL A 702 11.694 -6.804 8.135 1.00 0.00 O ATOM 466 CB VAL A 702 12.794 -4.505 6.222 1.00 0.00 C ATOM 467 CG1 VAL A 702 13.839 -4.039 5.220 1.00 0.00 C ATOM 468 CG2 VAL A 702 11.531 -3.664 6.117 1.00 0.00 C ATOM 0 H VAL A 702 12.131 -5.458 4.012 1.00 0.00 H new ATOM 0 HA VAL A 702 13.368 -6.586 6.182 1.00 0.00 H new ATOM 0 HB VAL A 702 13.205 -4.380 7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 702 14.056 -2.984 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 702 14.751 -4.622 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 702 13.459 -4.177 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 702 11.780 -2.614 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 702 11.089 -3.793 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 702 10.818 -3.982 6.878 1.00 0.00 H new ATOM 478 N HIS A 703 10.136 -6.337 6.579 1.00 0.00 N ATOM 479 CA HIS A 703 9.014 -6.711 7.433 1.00 0.00 C ATOM 480 C HIS A 703 8.506 -8.106 7.082 1.00 0.00 C ATOM 481 O HIS A 703 7.301 -8.362 7.100 1.00 0.00 O ATOM 482 CB HIS A 703 7.882 -5.693 7.298 1.00 0.00 C ATOM 483 CG HIS A 703 8.333 -4.272 7.443 1.00 0.00 C ATOM 484 ND1 HIS A 703 8.804 -3.750 8.629 1.00 0.00 N ATOM 485 CD2 HIS A 703 8.383 -3.263 6.543 1.00 0.00 C ATOM 486 CE1 HIS A 703 9.124 -2.481 8.452 1.00 0.00 C ATOM 487 NE2 HIS A 703 8.879 -2.160 7.194 1.00 0.00 N ATOM 0 H HIS A 703 9.869 -6.018 5.648 1.00 0.00 H new ATOM 0 HA HIS A 703 9.362 -6.720 8.466 1.00 0.00 H new ATOM 0 HB2 HIS A 703 7.407 -5.817 6.325 1.00 0.00 H new ATOM 0 HB3 HIS A 703 7.124 -5.903 8.052 1.00 0.00 H new ATOM 0 HD1 HIS A 703 8.892 -4.264 9.506 1.00 0.00 H new ATOM 0 HD2 HIS A 703 8.088 -3.315 5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 703 9.519 -1.818 9.208 1.00 0.00 H new ATOM 495 N THR A 704 9.431 -9.005 6.763 1.00 0.00 N ATOM 496 CA THR A 704 9.076 -10.373 6.406 1.00 0.00 C ATOM 497 C THR A 704 8.808 -11.214 7.649 1.00 0.00 C ATOM 498 O THR A 704 9.540 -11.134 8.634 1.00 0.00 O ATOM 499 CB THR A 704 10.188 -11.043 5.577 1.00 0.00 C ATOM 500 OG1 THR A 704 9.829 -12.398 5.281 1.00 0.00 O ATOM 501 CG2 THR A 704 11.512 -11.016 6.325 1.00 0.00 C ATOM 0 H THR A 704 10.432 -8.811 6.744 1.00 0.00 H new ATOM 0 HA THR A 704 8.168 -10.318 5.806 1.00 0.00 H new ATOM 0 HB THR A 704 10.303 -10.486 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 704 10.540 -12.817 4.752 1.00 0.00 H new ATOM 0 HG21 THR A 704 12.282 -11.495 5.720 1.00 0.00 H new ATOM 0 HG22 THR A 704 11.797 -9.983 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 704 11.408 -11.551 7.269 1.00 0.00 H new ATOM 509 N GLY A 705 7.753 -12.021 7.595 1.00 0.00 N ATOM 510 CA GLY A 705 7.407 -12.866 8.723 1.00 0.00 C ATOM 511 C GLY A 705 7.661 -14.334 8.448 1.00 0.00 C ATOM 512 O GLY A 705 7.715 -14.755 7.292 1.00 0.00 O ATOM 0 H GLY A 705 7.132 -12.105 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 705 7.985 -12.558 9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 705 6.355 -12.723 8.971 1.00 0.00 H new ATOM 516 N GLU A 706 7.821 -15.116 9.511 1.00 0.00 N ATOM 517 CA GLU A 706 8.074 -16.545 9.377 1.00 0.00 C ATOM 518 C GLU A 706 6.845 -17.356 9.778 1.00 0.00 C ATOM 519 O GLU A 706 6.694 -17.745 10.937 1.00 0.00 O ATOM 520 CB GLU A 706 9.272 -16.956 10.235 1.00 0.00 C ATOM 521 CG GLU A 706 10.614 -16.603 9.617 1.00 0.00 C ATOM 522 CD GLU A 706 11.753 -16.672 10.615 1.00 0.00 C ATOM 523 OE1 GLU A 706 11.558 -16.239 11.770 1.00 0.00 O ATOM 524 OE2 GLU A 706 12.840 -17.161 10.241 1.00 0.00 O ATOM 0 H GLU A 706 7.780 -14.783 10.474 1.00 0.00 H new ATOM 0 HA GLU A 706 8.298 -16.751 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 706 9.192 -16.474 11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 706 9.233 -18.032 10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 706 10.819 -17.283 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 706 10.564 -15.598 9.198 1.00 0.00 H new ATOM 531 N LYS A 707 5.967 -17.606 8.813 1.00 0.00 N ATOM 532 CA LYS A 707 4.751 -18.370 9.063 1.00 0.00 C ATOM 533 C LYS A 707 4.035 -18.696 7.756 1.00 0.00 C ATOM 534 O LYS A 707 2.969 -18.158 7.454 1.00 0.00 O ATOM 535 CB LYS A 707 3.815 -17.590 9.989 1.00 0.00 C ATOM 536 CG LYS A 707 3.593 -16.151 9.557 1.00 0.00 C ATOM 537 CD LYS A 707 2.556 -15.462 10.428 1.00 0.00 C ATOM 538 CE LYS A 707 1.142 -15.764 9.956 1.00 0.00 C ATOM 539 NZ LYS A 707 0.125 -14.986 10.717 1.00 0.00 N ATOM 0 H LYS A 707 6.075 -17.290 7.849 1.00 0.00 H new ATOM 0 HA LYS A 707 5.033 -19.306 9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 707 2.853 -18.100 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 707 4.226 -17.598 10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 707 4.535 -15.605 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 707 3.269 -16.128 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 707 2.673 -15.788 11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 707 2.724 -14.385 10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 707 1.056 -15.533 8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 707 0.942 -16.830 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 -0.825 -15.220 10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 0.189 -15.225 11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 0.300 -13.969 10.591 1.00 0.00 H new ATOM 553 N PRO A 708 4.631 -19.598 6.962 1.00 0.00 N ATOM 554 CA PRO A 708 4.065 -20.016 5.676 1.00 0.00 C ATOM 555 C PRO A 708 2.801 -20.853 5.843 1.00 0.00 C ATOM 556 O PRO A 708 2.866 -22.077 5.957 1.00 0.00 O ATOM 557 CB PRO A 708 5.184 -20.855 5.053 1.00 0.00 C ATOM 558 CG PRO A 708 5.972 -21.357 6.213 1.00 0.00 C ATOM 559 CD PRO A 708 5.902 -20.279 7.259 1.00 0.00 C ATOM 0 HA PRO A 708 3.762 -19.164 5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 708 4.780 -21.678 4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 708 5.802 -20.256 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 708 5.559 -22.293 6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 708 7.005 -21.556 5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 708 5.909 -20.695 8.266 1.00 0.00 H new ATOM 0 HD3 PRO A 708 6.749 -19.597 7.190 1.00 0.00 H new ATOM 567 N SER A 709 1.652 -20.185 5.856 1.00 0.00 N ATOM 568 CA SER A 709 0.373 -20.867 6.013 1.00 0.00 C ATOM 569 C SER A 709 -0.345 -20.989 4.673 1.00 0.00 C ATOM 570 O SER A 709 -1.372 -20.350 4.445 1.00 0.00 O ATOM 571 CB SER A 709 -0.510 -20.117 7.012 1.00 0.00 C ATOM 572 OG SER A 709 -1.556 -20.945 7.490 1.00 0.00 O ATOM 0 H SER A 709 1.581 -19.172 5.760 1.00 0.00 H new ATOM 0 HA SER A 709 0.568 -21.870 6.394 1.00 0.00 H new ATOM 0 HB2 SER A 709 0.096 -19.771 7.850 1.00 0.00 H new ATOM 0 HB3 SER A 709 -0.931 -19.231 6.536 1.00 0.00 H new ATOM 0 HG SER A 709 -2.105 -20.443 8.128 1.00 0.00 H new ATOM 578 N GLY A 710 0.203 -21.815 3.787 1.00 0.00 N ATOM 579 CA GLY A 710 -0.397 -22.007 2.480 1.00 0.00 C ATOM 580 C GLY A 710 0.522 -22.735 1.520 1.00 0.00 C ATOM 581 O GLY A 710 1.706 -22.938 1.793 1.00 0.00 O ATOM 0 H GLY A 710 1.053 -22.355 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 710 -1.324 -22.571 2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 710 -0.662 -21.037 2.059 1.00 0.00 H new ATOM 585 N PRO A 711 -0.024 -23.144 0.366 1.00 0.00 N ATOM 586 CA PRO A 711 0.737 -23.862 -0.661 1.00 0.00 C ATOM 587 C PRO A 711 1.764 -22.970 -1.350 1.00 0.00 C ATOM 588 O PRO A 711 2.714 -23.459 -1.962 1.00 0.00 O ATOM 589 CB PRO A 711 -0.338 -24.306 -1.655 1.00 0.00 C ATOM 590 CG PRO A 711 -1.445 -23.325 -1.480 1.00 0.00 C ATOM 591 CD PRO A 711 -1.429 -22.937 -0.027 1.00 0.00 C ATOM 0 HA PRO A 711 1.313 -24.686 -0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 711 0.040 -24.297 -2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 711 -0.673 -25.322 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 711 -1.299 -22.454 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 711 -2.403 -23.765 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 711 -1.738 -21.901 0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 711 -2.106 -23.556 0.562 1.00 0.00 H new ATOM 599 N SER A 712 1.568 -21.660 -1.247 1.00 0.00 N ATOM 600 CA SER A 712 2.475 -20.699 -1.863 1.00 0.00 C ATOM 601 C SER A 712 2.552 -20.916 -3.372 1.00 0.00 C ATOM 602 O SER A 712 3.639 -21.027 -3.939 1.00 0.00 O ATOM 603 CB SER A 712 3.871 -20.817 -1.248 1.00 0.00 C ATOM 604 OG SER A 712 3.796 -21.015 0.153 1.00 0.00 O ATOM 0 H SER A 712 0.788 -21.239 -0.742 1.00 0.00 H new ATOM 0 HA SER A 712 2.087 -19.698 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 712 4.405 -21.648 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 712 4.443 -19.914 -1.461 1.00 0.00 H new ATOM 0 HG SER A 712 4.701 -21.089 0.522 1.00 0.00 H new ATOM 610 N SER A 713 1.390 -20.974 -4.015 1.00 0.00 N ATOM 611 CA SER A 713 1.324 -21.181 -5.456 1.00 0.00 C ATOM 612 C SER A 713 1.860 -19.964 -6.205 1.00 0.00 C ATOM 613 O SER A 713 2.629 -20.096 -7.156 1.00 0.00 O ATOM 614 CB SER A 713 -0.117 -21.465 -5.887 1.00 0.00 C ATOM 615 OG SER A 713 -0.799 -22.232 -4.910 1.00 0.00 O ATOM 0 H SER A 713 0.482 -20.880 -3.560 1.00 0.00 H new ATOM 0 HA SER A 713 1.946 -22.041 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 713 -0.644 -20.525 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 713 -0.117 -21.998 -6.838 1.00 0.00 H new ATOM 0 HG SER A 713 -1.718 -22.399 -5.208 1.00 0.00 H new ATOM 621 N GLY A 714 1.447 -18.779 -5.767 1.00 0.00 N ATOM 622 CA GLY A 714 1.895 -17.555 -6.406 1.00 0.00 C ATOM 623 C GLY A 714 3.364 -17.276 -6.158 1.00 0.00 C ATOM 624 O GLY A 714 3.956 -17.911 -5.286 1.00 0.00 O ATOM 0 H GLY A 714 0.810 -18.644 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 714 1.717 -17.623 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 714 1.302 -16.718 -6.037 1.00 0.00 H new TER 628 GLY A 714 HETATM 629 ZN ZN A 201 8.861 -0.298 6.268 1.00 0.00 ZN