USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=16 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 180:sc= 0.0441 USER MOD Set 1.2: A 695 LYS NZ :NH3+ -155:sc= 0.0264 (180deg=-0.673) USER MOD Set 2.1: A 679 LYS NZ :NH3+ -135:sc= -0.202 (180deg=-0.965) USER MOD Set 2.2: A 684 ASN : amide:sc= -0.153 X(o=-0.35,f=-0.27) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : A 671 SER OG : rot 180:sc=-0.00739 USER MOD Single : A 673 SER OG : rot 44:sc= 0.0868 USER MOD Single : A 674 SER OG : rot 180:sc= -0.109 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 682 GLN : amide:sc= -6.06! C(o=-6.1!,f=-8.1!) USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=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= 0.0226 USER MOD Single : A 694 SER OG : rot 180:sc= 0 USER MOD Single : A 700 GLN : amide:sc= -0.058 K(o=-0.058,f=-1.4!) USER MOD Single : A 704 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 707 LYS NZ :NH3+ -142:sc= -0.0933 (180deg=-0.452) USER MOD Single : A 709 SER OG : rot -57:sc= 0.00412 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 -15.556 1.309 26.077 1.00 0.00 N ATOM 2 CA GLY A 669 -15.094 2.208 25.036 1.00 0.00 C ATOM 3 C GLY A 669 -13.765 1.780 24.448 1.00 0.00 C ATOM 4 O GLY A 669 -12.722 2.347 24.774 1.00 0.00 O ATOM 0 HA2 GLY A 669 -15.840 2.255 24.243 1.00 0.00 H new ATOM 0 HA3 GLY A 669 -15.000 3.214 25.445 1.00 0.00 H new ATOM 8 N SER A 670 -13.800 0.774 23.579 1.00 0.00 N ATOM 9 CA SER A 670 -12.588 0.266 22.948 1.00 0.00 C ATOM 10 C SER A 670 -12.762 0.171 21.435 1.00 0.00 C ATOM 11 O SER A 670 -11.883 0.572 20.671 1.00 0.00 O ATOM 12 CB SER A 670 -12.227 -1.107 23.518 1.00 0.00 C ATOM 13 OG SER A 670 -12.359 -1.123 24.929 1.00 0.00 O ATOM 0 H SER A 670 -14.655 0.295 23.296 1.00 0.00 H new ATOM 0 HA SER A 670 -11.778 0.964 23.160 1.00 0.00 H new ATOM 0 HB2 SER A 670 -12.874 -1.868 23.080 1.00 0.00 H new ATOM 0 HB3 SER A 670 -11.204 -1.361 23.242 1.00 0.00 H new ATOM 0 HG SER A 670 -12.124 -2.012 25.269 1.00 0.00 H new ATOM 19 N SER A 671 -13.902 -0.363 21.009 1.00 0.00 N ATOM 20 CA SER A 671 -14.191 -0.515 19.588 1.00 0.00 C ATOM 21 C SER A 671 -14.667 0.803 18.986 1.00 0.00 C ATOM 22 O SER A 671 -14.871 1.786 19.698 1.00 0.00 O ATOM 23 CB SER A 671 -15.251 -1.598 19.375 1.00 0.00 C ATOM 24 OG SER A 671 -15.261 -2.044 18.029 1.00 0.00 O ATOM 0 H SER A 671 -14.641 -0.698 21.628 1.00 0.00 H new ATOM 0 HA SER A 671 -13.271 -0.812 19.085 1.00 0.00 H new ATOM 0 HB2 SER A 671 -15.054 -2.440 20.039 1.00 0.00 H new ATOM 0 HB3 SER A 671 -16.233 -1.207 19.639 1.00 0.00 H new ATOM 0 HG SER A 671 -15.945 -2.737 17.919 1.00 0.00 H new ATOM 30 N GLY A 672 -14.841 0.816 17.668 1.00 0.00 N ATOM 31 CA GLY A 672 -15.291 2.019 16.991 1.00 0.00 C ATOM 32 C GLY A 672 -14.142 2.920 16.584 1.00 0.00 C ATOM 33 O GLY A 672 -14.329 4.118 16.372 1.00 0.00 O ATOM 0 H GLY A 672 -14.679 0.016 17.057 1.00 0.00 H new ATOM 0 HA2 GLY A 672 -15.862 1.741 16.105 1.00 0.00 H new ATOM 0 HA3 GLY A 672 -15.966 2.570 17.646 1.00 0.00 H new ATOM 37 N SER A 673 -12.949 2.343 16.477 1.00 0.00 N ATOM 38 CA SER A 673 -11.764 3.103 16.099 1.00 0.00 C ATOM 39 C SER A 673 -11.116 2.513 14.850 1.00 0.00 C ATOM 40 O SER A 673 -10.628 1.383 14.865 1.00 0.00 O ATOM 41 CB SER A 673 -10.756 3.123 17.249 1.00 0.00 C ATOM 42 OG SER A 673 -10.596 1.831 17.810 1.00 0.00 O ATOM 0 H SER A 673 -12.778 1.352 16.647 1.00 0.00 H new ATOM 0 HA SER A 673 -12.073 4.125 15.879 1.00 0.00 H new ATOM 0 HB2 SER A 673 -9.794 3.487 16.888 1.00 0.00 H new ATOM 0 HB3 SER A 673 -11.091 3.818 18.019 1.00 0.00 H new ATOM 0 HG SER A 673 -10.527 1.168 17.091 1.00 0.00 H new ATOM 48 N SER A 674 -11.116 3.287 13.769 1.00 0.00 N ATOM 49 CA SER A 674 -10.532 2.841 12.509 1.00 0.00 C ATOM 50 C SER A 674 -10.120 4.032 11.650 1.00 0.00 C ATOM 51 O SER A 674 -10.588 5.151 11.854 1.00 0.00 O ATOM 52 CB SER A 674 -11.526 1.965 11.744 1.00 0.00 C ATOM 53 OG SER A 674 -11.022 1.619 10.466 1.00 0.00 O ATOM 0 H SER A 674 -11.514 4.226 13.740 1.00 0.00 H new ATOM 0 HA SER A 674 -9.642 2.254 12.737 1.00 0.00 H new ATOM 0 HB2 SER A 674 -11.732 1.059 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 674 -12.472 2.494 11.634 1.00 0.00 H new ATOM 0 HG SER A 674 -11.675 1.058 9.998 1.00 0.00 H new ATOM 59 N GLY A 675 -9.239 3.782 10.685 1.00 0.00 N ATOM 60 CA GLY A 675 -8.778 4.842 9.808 1.00 0.00 C ATOM 61 C GLY A 675 -7.318 5.185 10.032 1.00 0.00 C ATOM 62 O GLY A 675 -6.937 5.642 11.110 1.00 0.00 O ATOM 0 H GLY A 675 -8.837 2.864 10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 675 -8.922 4.540 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 675 -9.386 5.732 9.968 1.00 0.00 H new ATOM 66 N THR A 676 -6.497 4.963 9.010 1.00 0.00 N ATOM 67 CA THR A 676 -5.071 5.249 9.100 1.00 0.00 C ATOM 68 C THR A 676 -4.776 6.698 8.730 1.00 0.00 C ATOM 69 O THR A 676 -3.949 7.355 9.362 1.00 0.00 O ATOM 70 CB THR A 676 -4.253 4.320 8.184 1.00 0.00 C ATOM 71 OG1 THR A 676 -4.648 2.959 8.387 1.00 0.00 O ATOM 72 CG2 THR A 676 -2.763 4.467 8.456 1.00 0.00 C ATOM 0 H THR A 676 -6.796 4.586 8.111 1.00 0.00 H new ATOM 0 HA THR A 676 -4.779 5.075 10.136 1.00 0.00 H new ATOM 0 HB THR A 676 -4.447 4.603 7.150 1.00 0.00 H new ATOM 0 HG1 THR A 676 -4.124 2.375 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 676 -2.205 3.801 7.797 1.00 0.00 H new ATOM 0 HG22 THR A 676 -2.459 5.498 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 676 -2.555 4.208 9.494 1.00 0.00 H new ATOM 80 N GLY A 677 -5.458 7.192 7.701 1.00 0.00 N ATOM 81 CA GLY A 677 -5.255 8.561 7.265 1.00 0.00 C ATOM 82 C GLY A 677 -4.269 8.664 6.119 1.00 0.00 C ATOM 83 O GLY A 677 -3.174 9.202 6.279 1.00 0.00 O ATOM 0 H GLY A 677 -6.147 6.668 7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 677 -6.210 8.987 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 677 -4.896 9.157 8.104 1.00 0.00 H new ATOM 87 N GLY A 678 -4.657 8.146 4.957 1.00 0.00 N ATOM 88 CA GLY A 678 -3.786 8.191 3.797 1.00 0.00 C ATOM 89 C GLY A 678 -2.813 7.030 3.758 1.00 0.00 C ATOM 90 O GLY A 678 -3.048 5.990 4.374 1.00 0.00 O ATOM 0 H GLY A 678 -5.559 7.696 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -4.392 8.184 2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -3.229 9.128 3.801 1.00 0.00 H new ATOM 94 N LYS A 679 -1.716 7.204 3.029 1.00 0.00 N ATOM 95 CA LYS A 679 -0.702 6.162 2.909 1.00 0.00 C ATOM 96 C LYS A 679 -1.326 4.846 2.457 1.00 0.00 C ATOM 97 O LYS A 679 -1.402 3.876 3.212 1.00 0.00 O ATOM 98 CB LYS A 679 0.017 5.966 4.246 1.00 0.00 C ATOM 99 CG LYS A 679 0.732 7.211 4.741 1.00 0.00 C ATOM 100 CD LYS A 679 0.831 7.232 6.257 1.00 0.00 C ATOM 101 CE LYS A 679 2.074 6.503 6.744 1.00 0.00 C ATOM 102 NZ LYS A 679 1.939 5.026 6.610 1.00 0.00 N ATOM 0 H LYS A 679 -1.506 8.058 2.512 1.00 0.00 H new ATOM 0 HA LYS A 679 0.021 6.478 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.708 5.652 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 679 0.741 5.158 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 679 1.732 7.253 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 679 0.199 8.098 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 679 0.852 8.264 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -0.056 6.768 6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 679 2.940 6.842 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 679 2.259 6.758 7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 2.274 4.566 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 0.941 4.782 6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 2.508 4.697 5.804 1.00 0.00 H new ATOM 116 N PRO A 680 -1.781 4.808 1.196 1.00 0.00 N ATOM 117 CA PRO A 680 -2.404 3.615 0.615 1.00 0.00 C ATOM 118 C PRO A 680 -1.401 2.488 0.390 1.00 0.00 C ATOM 119 O PRO A 680 -1.673 1.330 0.706 1.00 0.00 O ATOM 120 CB PRO A 680 -2.952 4.117 -0.723 1.00 0.00 C ATOM 121 CG PRO A 680 -2.096 5.287 -1.068 1.00 0.00 C ATOM 122 CD PRO A 680 -1.723 5.927 0.240 1.00 0.00 C ATOM 0 HA PRO A 680 -3.164 3.192 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 680 -2.894 3.344 -1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 680 -4.000 4.404 -0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -1.208 4.973 -1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -2.633 5.988 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -0.728 6.371 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -2.417 6.723 0.510 1.00 0.00 H new ATOM 130 N TYR A 681 -0.241 2.836 -0.156 1.00 0.00 N ATOM 131 CA TYR A 681 0.802 1.853 -0.424 1.00 0.00 C ATOM 132 C TYR A 681 2.003 2.069 0.491 1.00 0.00 C ATOM 133 O TYR A 681 2.750 1.136 0.784 1.00 0.00 O ATOM 134 CB TYR A 681 1.241 1.931 -1.887 1.00 0.00 C ATOM 135 CG TYR A 681 1.781 3.286 -2.286 1.00 0.00 C ATOM 136 CD1 TYR A 681 3.086 3.652 -1.985 1.00 0.00 C ATOM 137 CD2 TYR A 681 0.984 4.199 -2.966 1.00 0.00 C ATOM 138 CE1 TYR A 681 3.583 4.890 -2.346 1.00 0.00 C ATOM 139 CE2 TYR A 681 1.473 5.438 -3.334 1.00 0.00 C ATOM 140 CZ TYR A 681 2.772 5.779 -3.021 1.00 0.00 C ATOM 141 OH TYR A 681 3.263 7.012 -3.384 1.00 0.00 O ATOM 0 H TYR A 681 0.001 3.791 -0.421 1.00 0.00 H new ATOM 0 HA TYR A 681 0.392 0.863 -0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 681 2.006 1.176 -2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 681 0.393 1.685 -2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.724 2.957 -1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 681 -0.034 3.936 -3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 681 4.600 5.160 -2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 681 0.841 6.135 -3.864 1.00 0.00 H new ATOM 0 HH TYR A 681 2.566 7.517 -3.853 1.00 0.00 H new ATOM 151 N GLN A 682 2.182 3.308 0.940 1.00 0.00 N ATOM 152 CA GLN A 682 3.291 3.648 1.822 1.00 0.00 C ATOM 153 C GLN A 682 3.339 2.710 3.023 1.00 0.00 C ATOM 154 O GLN A 682 2.334 2.505 3.705 1.00 0.00 O ATOM 155 CB GLN A 682 3.168 5.097 2.296 1.00 0.00 C ATOM 156 CG GLN A 682 4.170 5.471 3.376 1.00 0.00 C ATOM 157 CD GLN A 682 4.254 6.968 3.602 1.00 0.00 C ATOM 158 OE1 GLN A 682 3.671 7.753 2.854 1.00 0.00 O ATOM 159 NE2 GLN A 682 4.981 7.371 4.637 1.00 0.00 N ATOM 0 H GLN A 682 1.573 4.092 0.707 1.00 0.00 H new ATOM 0 HA GLN A 682 4.217 3.535 1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 682 3.301 5.762 1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 682 2.159 5.262 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 682 3.892 4.982 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 682 5.154 5.093 3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 682 5.447 6.685 5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 682 5.073 8.367 4.839 1.00 0.00 H new ATOM 168 N CYS A 683 4.513 2.140 3.277 1.00 0.00 N ATOM 169 CA CYS A 683 4.692 1.223 4.396 1.00 0.00 C ATOM 170 C CYS A 683 4.192 1.846 5.696 1.00 0.00 C ATOM 171 O CYS A 683 4.516 2.990 6.013 1.00 0.00 O ATOM 172 CB CYS A 683 6.166 0.839 4.536 1.00 0.00 C ATOM 173 SG CYS A 683 6.506 -0.321 5.899 1.00 0.00 S ATOM 0 H CYS A 683 5.354 2.297 2.722 1.00 0.00 H new ATOM 0 HA CYS A 683 4.106 0.326 4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 683 6.505 0.393 3.601 1.00 0.00 H new ATOM 0 HB3 CYS A 683 6.753 1.744 4.689 1.00 0.00 H new ATOM 178 N ASN A 684 3.400 1.084 6.444 1.00 0.00 N ATOM 179 CA ASN A 684 2.855 1.561 7.710 1.00 0.00 C ATOM 180 C ASN A 684 3.560 0.899 8.890 1.00 0.00 C ATOM 181 O ASN A 684 3.619 1.460 9.984 1.00 0.00 O ATOM 182 CB ASN A 684 1.352 1.283 7.778 1.00 0.00 C ATOM 183 CG ASN A 684 0.692 1.959 8.965 1.00 0.00 C ATOM 184 OD1 ASN A 684 0.687 1.424 10.074 1.00 0.00 O ATOM 185 ND2 ASN A 684 0.131 3.140 8.736 1.00 0.00 N ATOM 0 H ASN A 684 3.122 0.135 6.196 1.00 0.00 H new ATOM 0 HA ASN A 684 3.022 2.637 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 684 0.880 1.628 6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 684 1.187 0.207 7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 684 -0.328 3.642 9.496 1.00 0.00 H new ATOM 0 HD22 ASN A 684 0.159 3.545 7.800 1.00 0.00 H new ATOM 192 N GLU A 685 4.093 -0.296 8.659 1.00 0.00 N ATOM 193 CA GLU A 685 4.794 -1.034 9.704 1.00 0.00 C ATOM 194 C GLU A 685 5.868 -0.167 10.355 1.00 0.00 C ATOM 195 O GLU A 685 5.993 -0.128 11.579 1.00 0.00 O ATOM 196 CB GLU A 685 5.428 -2.301 9.127 1.00 0.00 C ATOM 197 CG GLU A 685 4.412 -3.332 8.663 1.00 0.00 C ATOM 198 CD GLU A 685 4.968 -4.743 8.669 1.00 0.00 C ATOM 199 OE1 GLU A 685 5.568 -5.139 9.690 1.00 0.00 O ATOM 200 OE2 GLU A 685 4.804 -5.450 7.653 1.00 0.00 O ATOM 0 H GLU A 685 4.053 -0.774 7.759 1.00 0.00 H new ATOM 0 HA GLU A 685 4.066 -1.315 10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 685 6.066 -2.028 8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 685 6.072 -2.752 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 685 3.535 -3.288 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 685 4.079 -3.081 7.656 1.00 0.00 H new ATOM 207 N CYS A 686 6.642 0.527 9.527 1.00 0.00 N ATOM 208 CA CYS A 686 7.707 1.393 10.019 1.00 0.00 C ATOM 209 C CYS A 686 7.430 2.851 9.664 1.00 0.00 C ATOM 210 O CYS A 686 7.890 3.766 10.346 1.00 0.00 O ATOM 211 CB CYS A 686 9.054 0.962 9.437 1.00 0.00 C ATOM 212 SG CYS A 686 9.232 1.287 7.654 1.00 0.00 S ATOM 0 H CYS A 686 6.551 0.506 8.511 1.00 0.00 H new ATOM 0 HA CYS A 686 7.743 1.302 11.105 1.00 0.00 H new ATOM 0 HB2 CYS A 686 9.851 1.480 9.971 1.00 0.00 H new ATOM 0 HB3 CYS A 686 9.191 -0.104 9.616 1.00 0.00 H new ATOM 217 N GLY A 687 6.674 3.060 8.590 1.00 0.00 N ATOM 218 CA GLY A 687 6.349 4.408 8.163 1.00 0.00 C ATOM 219 C GLY A 687 7.360 4.965 7.181 1.00 0.00 C ATOM 220 O GLY A 687 8.058 5.935 7.479 1.00 0.00 O ATOM 0 H GLY A 687 6.281 2.320 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 687 5.361 4.412 7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 687 6.297 5.060 9.035 1.00 0.00 H new ATOM 224 N LYS A 688 7.443 4.349 6.006 1.00 0.00 N ATOM 225 CA LYS A 688 8.377 4.788 4.976 1.00 0.00 C ATOM 226 C LYS A 688 7.714 4.783 3.602 1.00 0.00 C ATOM 227 O LYS A 688 7.048 3.818 3.228 1.00 0.00 O ATOM 228 CB LYS A 688 9.613 3.885 4.961 1.00 0.00 C ATOM 229 CG LYS A 688 10.821 4.519 4.294 1.00 0.00 C ATOM 230 CD LYS A 688 12.118 3.896 4.782 1.00 0.00 C ATOM 231 CE LYS A 688 12.560 4.494 6.108 1.00 0.00 C ATOM 232 NZ LYS A 688 13.882 3.963 6.543 1.00 0.00 N ATOM 0 H LYS A 688 6.874 3.544 5.744 1.00 0.00 H new ATOM 0 HA LYS A 688 8.682 5.808 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 688 9.872 3.620 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 688 9.368 2.957 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 688 10.744 4.402 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 688 10.831 5.590 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 688 11.986 2.820 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 688 12.898 4.046 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 688 12.617 5.579 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 688 11.813 4.277 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 14.148 4.395 7.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 13.822 2.931 6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 14.601 4.192 5.827 1.00 0.00 H new ATOM 246 N ALA A 689 7.902 5.866 2.855 1.00 0.00 N ATOM 247 CA ALA A 689 7.325 5.984 1.522 1.00 0.00 C ATOM 248 C ALA A 689 8.413 6.019 0.454 1.00 0.00 C ATOM 249 O ALA A 689 9.544 6.430 0.718 1.00 0.00 O ATOM 250 CB ALA A 689 6.455 7.229 1.432 1.00 0.00 C ATOM 0 H ALA A 689 8.450 6.674 3.151 1.00 0.00 H new ATOM 0 HA ALA A 689 6.704 5.106 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 689 6.030 7.305 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 689 5.650 7.164 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 689 7.061 8.112 1.637 1.00 0.00 H new ATOM 256 N PHE A 690 8.066 5.584 -0.753 1.00 0.00 N ATOM 257 CA PHE A 690 9.014 5.564 -1.861 1.00 0.00 C ATOM 258 C PHE A 690 8.433 6.263 -3.086 1.00 0.00 C ATOM 259 O PHE A 690 7.258 6.632 -3.105 1.00 0.00 O ATOM 260 CB PHE A 690 9.390 4.123 -2.211 1.00 0.00 C ATOM 261 CG PHE A 690 10.204 3.441 -1.149 1.00 0.00 C ATOM 262 CD1 PHE A 690 9.618 3.042 0.042 1.00 0.00 C ATOM 263 CD2 PHE A 690 11.554 3.197 -1.342 1.00 0.00 C ATOM 264 CE1 PHE A 690 10.365 2.415 1.021 1.00 0.00 C ATOM 265 CE2 PHE A 690 12.306 2.570 -0.367 1.00 0.00 C ATOM 266 CZ PHE A 690 11.710 2.177 0.816 1.00 0.00 C ATOM 0 H PHE A 690 7.135 5.241 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 690 9.910 6.101 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 690 8.479 3.550 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 690 9.951 4.119 -3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 690 8.566 3.223 0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 690 12.024 3.501 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.897 2.111 1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 690 13.358 2.387 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 690 12.295 1.685 1.579 1.00 0.00 H new ATOM 276 N SER A 691 9.264 6.441 -4.108 1.00 0.00 N ATOM 277 CA SER A 691 8.835 7.099 -5.337 1.00 0.00 C ATOM 278 C SER A 691 7.708 6.318 -6.006 1.00 0.00 C ATOM 279 O SER A 691 6.757 6.903 -6.524 1.00 0.00 O ATOM 280 CB SER A 691 10.014 7.243 -6.301 1.00 0.00 C ATOM 281 OG SER A 691 11.118 7.864 -5.668 1.00 0.00 O ATOM 0 H SER A 691 10.238 6.139 -4.109 1.00 0.00 H new ATOM 0 HA SER A 691 8.463 8.090 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 691 10.308 6.260 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 691 9.710 7.831 -7.167 1.00 0.00 H new ATOM 0 HG SER A 691 11.859 7.943 -6.305 1.00 0.00 H new ATOM 287 N GLN A 692 7.823 4.994 -5.991 1.00 0.00 N ATOM 288 CA GLN A 692 6.814 4.133 -6.597 1.00 0.00 C ATOM 289 C GLN A 692 6.617 2.864 -5.775 1.00 0.00 C ATOM 290 O GLN A 692 7.232 2.691 -4.721 1.00 0.00 O ATOM 291 CB GLN A 692 7.215 3.771 -8.028 1.00 0.00 C ATOM 292 CG GLN A 692 7.178 4.950 -8.987 1.00 0.00 C ATOM 293 CD GLN A 692 7.053 4.520 -10.435 1.00 0.00 C ATOM 294 OE1 GLN A 692 6.007 4.030 -10.861 1.00 0.00 O ATOM 295 NE2 GLN A 692 8.122 4.702 -11.201 1.00 0.00 N ATOM 0 H GLN A 692 8.604 4.494 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 692 5.871 4.680 -6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 692 8.221 3.352 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 692 6.548 2.992 -8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 692 6.339 5.596 -8.730 1.00 0.00 H new ATOM 0 HG3 GLN A 692 8.085 5.542 -8.865 1.00 0.00 H new ATOM 0 HE21 GLN A 692 8.968 5.112 -10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 692 8.097 4.432 -12.184 1.00 0.00 H new ATOM 304 N THR A 693 5.756 1.976 -6.262 1.00 0.00 N ATOM 305 CA THR A 693 5.476 0.723 -5.572 1.00 0.00 C ATOM 306 C THR A 693 6.472 -0.359 -5.973 1.00 0.00 C ATOM 307 O THR A 693 6.733 -1.289 -5.211 1.00 0.00 O ATOM 308 CB THR A 693 4.049 0.226 -5.867 1.00 0.00 C ATOM 309 OG1 THR A 693 3.751 0.389 -7.258 1.00 0.00 O ATOM 310 CG2 THR A 693 3.028 0.985 -5.032 1.00 0.00 C ATOM 0 H THR A 693 5.240 2.102 -7.133 1.00 0.00 H new ATOM 0 HA THR A 693 5.570 0.922 -4.504 1.00 0.00 H new ATOM 0 HB THR A 693 3.995 -0.831 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 693 2.842 0.069 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 693 2.027 0.617 -5.258 1.00 0.00 H new ATOM 0 HG22 THR A 693 3.240 0.835 -3.973 1.00 0.00 H new ATOM 0 HG23 THR A 693 3.085 2.048 -5.266 1.00 0.00 H new ATOM 318 N SER A 694 7.027 -0.230 -7.174 1.00 0.00 N ATOM 319 CA SER A 694 7.993 -1.200 -7.678 1.00 0.00 C ATOM 320 C SER A 694 9.119 -1.418 -6.672 1.00 0.00 C ATOM 321 O SER A 694 9.506 -2.553 -6.391 1.00 0.00 O ATOM 322 CB SER A 694 8.571 -0.729 -9.014 1.00 0.00 C ATOM 323 OG SER A 694 7.637 -0.905 -10.064 1.00 0.00 O ATOM 0 H SER A 694 6.825 0.536 -7.816 1.00 0.00 H new ATOM 0 HA SER A 694 7.475 -2.147 -7.828 1.00 0.00 H new ATOM 0 HB2 SER A 694 8.849 0.323 -8.943 1.00 0.00 H new ATOM 0 HB3 SER A 694 9.482 -1.285 -9.236 1.00 0.00 H new ATOM 0 HG SER A 694 8.030 -0.595 -10.907 1.00 0.00 H new ATOM 329 N LYS A 695 9.641 -0.322 -6.132 1.00 0.00 N ATOM 330 CA LYS A 695 10.722 -0.390 -5.156 1.00 0.00 C ATOM 331 C LYS A 695 10.184 -0.730 -3.770 1.00 0.00 C ATOM 332 O LYS A 695 10.845 -1.412 -2.985 1.00 0.00 O ATOM 333 CB LYS A 695 11.479 0.939 -5.108 1.00 0.00 C ATOM 334 CG LYS A 695 12.048 1.363 -6.451 1.00 0.00 C ATOM 335 CD LYS A 695 12.874 2.633 -6.331 1.00 0.00 C ATOM 336 CE LYS A 695 11.989 3.868 -6.259 1.00 0.00 C ATOM 337 NZ LYS A 695 12.786 5.125 -6.309 1.00 0.00 N ATOM 0 H LYS A 695 9.333 0.625 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 695 11.406 -1.180 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 695 10.808 1.717 -4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 695 12.293 0.858 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 695 12.667 0.562 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 695 11.234 1.523 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 695 13.499 2.579 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 695 13.545 2.714 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 695 11.279 3.855 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 695 11.406 3.844 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 695 12.254 5.892 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 695 13.688 4.984 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 695 12.973 5.378 -7.300 1.00 0.00 H new ATOM 351 N LEU A 696 8.979 -0.253 -3.475 1.00 0.00 N ATOM 352 CA LEU A 696 8.350 -0.508 -2.184 1.00 0.00 C ATOM 353 C LEU A 696 8.274 -2.005 -1.901 1.00 0.00 C ATOM 354 O LEU A 696 8.501 -2.447 -0.776 1.00 0.00 O ATOM 355 CB LEU A 696 6.948 0.101 -2.148 1.00 0.00 C ATOM 356 CG LEU A 696 6.064 -0.316 -0.972 1.00 0.00 C ATOM 357 CD1 LEU A 696 6.614 0.240 0.332 1.00 0.00 C ATOM 358 CD2 LEU A 696 4.632 0.148 -1.190 1.00 0.00 C ATOM 0 H LEU A 696 8.418 0.312 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 696 8.962 -0.042 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 696 7.046 1.187 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.435 -0.163 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 696 6.066 -1.404 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 696 5.972 -0.067 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 696 7.622 -0.142 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 696 6.643 1.328 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 696 4.018 -0.158 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 696 4.611 1.234 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 696 4.240 -0.299 -2.103 1.00 0.00 H new ATOM 370 N ALA A 697 7.954 -2.781 -2.932 1.00 0.00 N ATOM 371 CA ALA A 697 7.852 -4.229 -2.796 1.00 0.00 C ATOM 372 C ALA A 697 9.127 -4.815 -2.199 1.00 0.00 C ATOM 373 O ALA A 697 9.082 -5.798 -1.459 1.00 0.00 O ATOM 374 CB ALA A 697 7.557 -4.866 -4.145 1.00 0.00 C ATOM 0 H ALA A 697 7.761 -2.431 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 697 7.029 -4.449 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 697 7.484 -5.947 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 697 6.615 -4.478 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 697 8.361 -4.630 -4.842 1.00 0.00 H new ATOM 380 N ARG A 698 10.262 -4.206 -2.526 1.00 0.00 N ATOM 381 CA ARG A 698 11.549 -4.670 -2.023 1.00 0.00 C ATOM 382 C ARG A 698 11.727 -4.294 -0.555 1.00 0.00 C ATOM 383 O ARG A 698 12.339 -5.034 0.217 1.00 0.00 O ATOM 384 CB ARG A 698 12.689 -4.078 -2.854 1.00 0.00 C ATOM 385 CG ARG A 698 12.457 -4.163 -4.354 1.00 0.00 C ATOM 386 CD ARG A 698 12.219 -5.598 -4.799 1.00 0.00 C ATOM 387 NE ARG A 698 12.640 -5.819 -6.180 1.00 0.00 N ATOM 388 CZ ARG A 698 12.404 -6.942 -6.850 1.00 0.00 C ATOM 389 NH1 ARG A 698 11.753 -7.940 -6.268 1.00 0.00 N ATOM 390 NH2 ARG A 698 12.819 -7.067 -8.104 1.00 0.00 N ATOM 0 H ARG A 698 10.316 -3.391 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 698 11.573 -5.756 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 698 12.826 -3.033 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 698 13.615 -4.598 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 698 11.598 -3.549 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 698 13.320 -3.756 -4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 698 12.762 -6.276 -4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 698 11.160 -5.838 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 698 13.143 -5.070 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 698 11.432 -7.846 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 698 11.573 -8.801 -6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 698 13.320 -6.301 -8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 698 12.638 -7.929 -8.618 1.00 0.00 H new ATOM 404 N HIS A 699 11.190 -3.139 -0.176 1.00 0.00 N ATOM 405 CA HIS A 699 11.289 -2.664 1.200 1.00 0.00 C ATOM 406 C HIS A 699 10.540 -3.593 2.150 1.00 0.00 C ATOM 407 O HIS A 699 10.897 -3.715 3.322 1.00 0.00 O ATOM 408 CB HIS A 699 10.734 -1.244 1.313 1.00 0.00 C ATOM 409 CG HIS A 699 10.631 -0.751 2.723 1.00 0.00 C ATOM 410 ND1 HIS A 699 11.705 -0.246 3.424 1.00 0.00 N ATOM 411 CD2 HIS A 699 9.571 -0.687 3.564 1.00 0.00 C ATOM 412 CE1 HIS A 699 11.312 0.106 4.635 1.00 0.00 C ATOM 413 NE2 HIS A 699 10.021 -0.151 4.745 1.00 0.00 N ATOM 0 H HIS A 699 10.682 -2.514 -0.802 1.00 0.00 H new ATOM 0 HA HIS A 699 12.342 -2.657 1.481 1.00 0.00 H new ATOM 0 HB2 HIS A 699 11.373 -0.567 0.746 1.00 0.00 H new ATOM 0 HB3 HIS A 699 9.747 -1.211 0.852 1.00 0.00 H new ATOM 0 HD1 HIS A 699 12.655 -0.158 3.064 1.00 0.00 H new ATOM 0 HD2 HIS A 699 8.560 -0.999 3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 699 11.939 0.531 5.404 1.00 0.00 H new ATOM 421 N GLN A 700 9.500 -4.243 1.638 1.00 0.00 N ATOM 422 CA GLN A 700 8.701 -5.159 2.443 1.00 0.00 C ATOM 423 C GLN A 700 9.565 -6.280 3.012 1.00 0.00 C ATOM 424 O GLN A 700 9.210 -6.904 4.012 1.00 0.00 O ATOM 425 CB GLN A 700 7.566 -5.750 1.605 1.00 0.00 C ATOM 426 CG GLN A 700 6.646 -4.701 1.001 1.00 0.00 C ATOM 427 CD GLN A 700 5.236 -5.216 0.785 1.00 0.00 C ATOM 428 OE1 GLN A 700 4.966 -6.406 0.947 1.00 0.00 O ATOM 429 NE2 GLN A 700 4.328 -4.319 0.417 1.00 0.00 N ATOM 0 H GLN A 700 9.191 -4.152 0.670 1.00 0.00 H new ATOM 0 HA GLN A 700 8.275 -4.596 3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 700 7.993 -6.352 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 700 6.977 -6.422 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 700 6.614 -3.830 1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 700 7.057 -4.368 0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 700 4.596 -3.343 0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 700 3.363 -4.607 0.257 1.00 0.00 H new ATOM 438 N ARG A 701 10.701 -6.530 2.368 1.00 0.00 N ATOM 439 CA ARG A 701 11.614 -7.576 2.809 1.00 0.00 C ATOM 440 C ARG A 701 11.944 -7.422 4.291 1.00 0.00 C ATOM 441 O ARG A 701 11.901 -8.389 5.052 1.00 0.00 O ATOM 442 CB ARG A 701 12.902 -7.540 1.984 1.00 0.00 C ATOM 443 CG ARG A 701 12.723 -8.027 0.555 1.00 0.00 C ATOM 444 CD ARG A 701 12.795 -9.543 0.469 1.00 0.00 C ATOM 445 NE ARG A 701 14.174 -10.023 0.425 1.00 0.00 N ATOM 446 CZ ARG A 701 14.505 -11.310 0.451 1.00 0.00 C ATOM 447 NH1 ARG A 701 13.562 -12.239 0.520 1.00 0.00 N ATOM 448 NH2 ARG A 701 15.782 -11.668 0.407 1.00 0.00 N ATOM 0 H ARG A 701 11.010 -6.022 1.539 1.00 0.00 H new ATOM 0 HA ARG A 701 11.122 -8.537 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 701 13.284 -6.519 1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 701 13.656 -8.154 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 701 11.762 -7.685 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 701 13.494 -7.589 -0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 701 12.286 -9.980 1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 701 12.265 -9.881 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 701 14.923 -9.333 0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 701 12.580 -11.967 0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 701 13.819 -13.226 0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 701 16.510 -10.955 0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 701 16.036 -12.656 0.427 1.00 0.00 H new ATOM 462 N VAL A 702 12.272 -6.198 4.695 1.00 0.00 N ATOM 463 CA VAL A 702 12.608 -5.916 6.085 1.00 0.00 C ATOM 464 C VAL A 702 11.520 -6.420 7.027 1.00 0.00 C ATOM 465 O VAL A 702 11.791 -6.771 8.176 1.00 0.00 O ATOM 466 CB VAL A 702 12.815 -4.408 6.318 1.00 0.00 C ATOM 467 CG1 VAL A 702 13.870 -3.861 5.369 1.00 0.00 C ATOM 468 CG2 VAL A 702 11.500 -3.659 6.156 1.00 0.00 C ATOM 0 H VAL A 702 12.312 -5.386 4.079 1.00 0.00 H new ATOM 0 HA VAL A 702 13.540 -6.440 6.297 1.00 0.00 H new ATOM 0 HB VAL A 702 13.168 -4.260 7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 702 14.003 -2.794 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 702 14.815 -4.378 5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 702 13.550 -4.019 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 702 11.664 -2.595 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 702 11.116 -3.812 5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 702 10.777 -4.033 6.880 1.00 0.00 H new ATOM 478 N HIS A 703 10.286 -6.455 6.532 1.00 0.00 N ATOM 479 CA HIS A 703 9.156 -6.917 7.329 1.00 0.00 C ATOM 480 C HIS A 703 8.740 -8.326 6.916 1.00 0.00 C ATOM 481 O HIS A 703 7.591 -8.562 6.542 1.00 0.00 O ATOM 482 CB HIS A 703 7.973 -5.960 7.179 1.00 0.00 C ATOM 483 CG HIS A 703 8.333 -4.524 7.406 1.00 0.00 C ATOM 484 ND1 HIS A 703 8.756 -4.037 8.624 1.00 0.00 N ATOM 485 CD2 HIS A 703 8.332 -3.467 6.560 1.00 0.00 C ATOM 486 CE1 HIS A 703 8.999 -2.743 8.519 1.00 0.00 C ATOM 487 NE2 HIS A 703 8.749 -2.372 7.276 1.00 0.00 N ATOM 0 H HIS A 703 10.044 -6.169 5.583 1.00 0.00 H new ATOM 0 HA HIS A 703 9.466 -6.939 8.374 1.00 0.00 H new ATOM 0 HB2 HIS A 703 7.554 -6.067 6.179 1.00 0.00 H new ATOM 0 HB3 HIS A 703 7.193 -6.246 7.884 1.00 0.00 H new ATOM 0 HD1 HIS A 703 8.865 -4.590 9.474 1.00 0.00 H new ATOM 0 HD2 HIS A 703 8.055 -3.482 5.516 1.00 0.00 H new ATOM 0 HE1 HIS A 703 9.343 -2.098 9.314 1.00 0.00 H new ATOM 495 N THR A 704 9.683 -9.261 6.985 1.00 0.00 N ATOM 496 CA THR A 704 9.416 -10.645 6.617 1.00 0.00 C ATOM 497 C THR A 704 9.559 -11.571 7.820 1.00 0.00 C ATOM 498 O THR A 704 10.651 -11.737 8.361 1.00 0.00 O ATOM 499 CB THR A 704 10.364 -11.123 5.501 1.00 0.00 C ATOM 500 OG1 THR A 704 11.723 -10.852 5.863 1.00 0.00 O ATOM 501 CG2 THR A 704 10.039 -10.435 4.183 1.00 0.00 C ATOM 0 H THR A 704 10.639 -9.084 7.293 1.00 0.00 H new ATOM 0 HA THR A 704 8.389 -10.682 6.252 1.00 0.00 H new ATOM 0 HB THR A 704 10.229 -12.197 5.375 1.00 0.00 H new ATOM 0 HG1 THR A 704 11.951 -9.932 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 704 10.721 -10.788 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 704 9.013 -10.666 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 704 10.149 -9.357 4.299 1.00 0.00 H new ATOM 509 N GLY A 705 8.447 -12.173 8.232 1.00 0.00 N ATOM 510 CA GLY A 705 8.471 -13.076 9.368 1.00 0.00 C ATOM 511 C GLY A 705 7.144 -13.778 9.578 1.00 0.00 C ATOM 512 O GLY A 705 6.323 -13.340 10.383 1.00 0.00 O ATOM 0 H GLY A 705 7.531 -12.052 7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 705 9.253 -13.821 9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 705 8.729 -12.517 10.267 1.00 0.00 H new ATOM 516 N GLU A 706 6.933 -14.871 8.851 1.00 0.00 N ATOM 517 CA GLU A 706 5.695 -15.634 8.960 1.00 0.00 C ATOM 518 C GLU A 706 5.755 -16.602 10.138 1.00 0.00 C ATOM 519 O GLU A 706 5.748 -17.820 9.956 1.00 0.00 O ATOM 520 CB GLU A 706 5.429 -16.404 7.665 1.00 0.00 C ATOM 521 CG GLU A 706 4.005 -16.921 7.547 1.00 0.00 C ATOM 522 CD GLU A 706 3.053 -15.886 6.980 1.00 0.00 C ATOM 523 OE1 GLU A 706 3.280 -15.436 5.837 1.00 0.00 O ATOM 524 OE2 GLU A 706 2.083 -15.526 7.677 1.00 0.00 O ATOM 0 H GLU A 706 7.603 -15.248 8.181 1.00 0.00 H new ATOM 0 HA GLU A 706 4.879 -14.932 9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 706 5.643 -15.755 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 706 6.119 -17.246 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 706 3.995 -17.805 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 706 3.653 -17.233 8.530 1.00 0.00 H new ATOM 531 N LYS A 707 5.814 -16.052 11.346 1.00 0.00 N ATOM 532 CA LYS A 707 5.874 -16.865 12.555 1.00 0.00 C ATOM 533 C LYS A 707 5.604 -16.018 13.794 1.00 0.00 C ATOM 534 O LYS A 707 6.490 -15.774 14.615 1.00 0.00 O ATOM 535 CB LYS A 707 7.243 -17.539 12.674 1.00 0.00 C ATOM 536 CG LYS A 707 7.213 -18.846 13.447 1.00 0.00 C ATOM 537 CD LYS A 707 6.585 -19.963 12.631 1.00 0.00 C ATOM 538 CE LYS A 707 6.604 -21.284 13.385 1.00 0.00 C ATOM 539 NZ LYS A 707 7.980 -21.653 13.821 1.00 0.00 N ATOM 0 H LYS A 707 5.822 -15.046 11.514 1.00 0.00 H new ATOM 0 HA LYS A 707 5.103 -17.632 12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 707 7.634 -17.727 11.674 1.00 0.00 H new ATOM 0 HB3 LYS A 707 7.935 -16.853 13.163 1.00 0.00 H new ATOM 0 HG2 LYS A 707 8.228 -19.126 13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 707 6.652 -18.710 14.372 1.00 0.00 H new ATOM 0 HD2 LYS A 707 5.557 -19.700 12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 707 7.122 -20.073 11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 707 5.953 -21.214 14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 707 6.201 -22.072 12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 8.111 -22.680 13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 8.676 -21.158 13.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 8.115 -21.378 14.815 1.00 0.00 H new ATOM 553 N PRO A 708 4.352 -15.558 13.937 1.00 0.00 N ATOM 554 CA PRO A 708 3.936 -14.733 15.075 1.00 0.00 C ATOM 555 C PRO A 708 3.900 -15.521 16.380 1.00 0.00 C ATOM 556 O PRO A 708 4.210 -14.989 17.445 1.00 0.00 O ATOM 557 CB PRO A 708 2.528 -14.277 14.686 1.00 0.00 C ATOM 558 CG PRO A 708 2.036 -15.324 13.747 1.00 0.00 C ATOM 559 CD PRO A 708 3.246 -15.809 12.998 1.00 0.00 C ATOM 0 HA PRO A 708 4.629 -13.912 15.259 1.00 0.00 H new ATOM 0 HB2 PRO A 708 1.883 -14.195 15.561 1.00 0.00 H new ATOM 0 HB3 PRO A 708 2.547 -13.296 14.211 1.00 0.00 H new ATOM 0 HG2 PRO A 708 1.559 -16.141 14.288 1.00 0.00 H new ATOM 0 HG3 PRO A 708 1.291 -14.916 13.063 1.00 0.00 H new ATOM 0 HD2 PRO A 708 3.165 -16.866 12.746 1.00 0.00 H new ATOM 0 HD3 PRO A 708 3.383 -15.268 12.062 1.00 0.00 H new ATOM 567 N SER A 709 3.519 -16.791 16.288 1.00 0.00 N ATOM 568 CA SER A 709 3.439 -17.651 17.463 1.00 0.00 C ATOM 569 C SER A 709 2.409 -17.121 18.455 1.00 0.00 C ATOM 570 O SER A 709 2.668 -17.044 19.655 1.00 0.00 O ATOM 571 CB SER A 709 4.808 -17.756 18.138 1.00 0.00 C ATOM 572 OG SER A 709 4.882 -18.906 18.963 1.00 0.00 O ATOM 0 H SER A 709 3.261 -17.247 15.413 1.00 0.00 H new ATOM 0 HA SER A 709 3.126 -18.643 17.137 1.00 0.00 H new ATOM 0 HB2 SER A 709 5.589 -17.798 17.379 1.00 0.00 H new ATOM 0 HB3 SER A 709 4.992 -16.863 18.736 1.00 0.00 H new ATOM 0 HG SER A 709 4.167 -18.875 19.633 1.00 0.00 H new ATOM 578 N GLY A 710 1.237 -16.757 17.944 1.00 0.00 N ATOM 579 CA GLY A 710 0.184 -16.238 18.798 1.00 0.00 C ATOM 580 C GLY A 710 -0.858 -15.455 18.024 1.00 0.00 C ATOM 581 O GLY A 710 -0.717 -15.211 16.825 1.00 0.00 O ATOM 0 H GLY A 710 0.998 -16.812 16.954 1.00 0.00 H new ATOM 0 HA2 GLY A 710 -0.300 -17.066 19.317 1.00 0.00 H new ATOM 0 HA3 GLY A 710 0.623 -15.596 19.562 1.00 0.00 H new ATOM 585 N PRO A 711 -1.933 -15.050 18.715 1.00 0.00 N ATOM 586 CA PRO A 711 -3.025 -14.285 18.104 1.00 0.00 C ATOM 587 C PRO A 711 -2.604 -12.866 17.737 1.00 0.00 C ATOM 588 O PRO A 711 -2.792 -11.932 18.515 1.00 0.00 O ATOM 589 CB PRO A 711 -4.095 -14.259 19.197 1.00 0.00 C ATOM 590 CG PRO A 711 -3.340 -14.423 20.471 1.00 0.00 C ATOM 591 CD PRO A 711 -2.167 -15.306 20.146 1.00 0.00 C ATOM 0 HA PRO A 711 -3.362 -14.732 17.169 1.00 0.00 H new ATOM 0 HB2 PRO A 711 -4.651 -13.322 19.184 1.00 0.00 H new ATOM 0 HB3 PRO A 711 -4.820 -15.061 19.060 1.00 0.00 H new ATOM 0 HG2 PRO A 711 -3.008 -13.458 20.855 1.00 0.00 H new ATOM 0 HG3 PRO A 711 -3.966 -14.874 21.241 1.00 0.00 H new ATOM 0 HD2 PRO A 711 -1.294 -15.052 20.748 1.00 0.00 H new ATOM 0 HD3 PRO A 711 -2.390 -16.356 20.335 1.00 0.00 H new ATOM 599 N SER A 712 -2.034 -12.712 16.546 1.00 0.00 N ATOM 600 CA SER A 712 -1.583 -11.407 16.077 1.00 0.00 C ATOM 601 C SER A 712 -2.683 -10.704 15.288 1.00 0.00 C ATOM 602 O SER A 712 -3.454 -11.342 14.572 1.00 0.00 O ATOM 603 CB SER A 712 -0.333 -11.558 15.208 1.00 0.00 C ATOM 604 OG SER A 712 0.362 -10.328 15.097 1.00 0.00 O ATOM 0 H SER A 712 -1.874 -13.475 15.888 1.00 0.00 H new ATOM 0 HA SER A 712 -1.340 -10.799 16.948 1.00 0.00 H new ATOM 0 HB2 SER A 712 0.324 -12.313 15.639 1.00 0.00 H new ATOM 0 HB3 SER A 712 -0.616 -11.910 14.216 1.00 0.00 H new ATOM 0 HG SER A 712 1.158 -10.451 14.538 1.00 0.00 H new ATOM 610 N SER A 713 -2.749 -9.383 15.425 1.00 0.00 N ATOM 611 CA SER A 713 -3.756 -8.592 14.729 1.00 0.00 C ATOM 612 C SER A 713 -3.110 -7.683 13.688 1.00 0.00 C ATOM 613 O SER A 713 -2.031 -7.135 13.910 1.00 0.00 O ATOM 614 CB SER A 713 -4.556 -7.753 15.728 1.00 0.00 C ATOM 615 OG SER A 713 -5.230 -6.689 15.077 1.00 0.00 O ATOM 0 H SER A 713 -2.117 -8.839 16.012 1.00 0.00 H new ATOM 0 HA SER A 713 -4.431 -9.278 14.218 1.00 0.00 H new ATOM 0 HB2 SER A 713 -5.280 -8.386 16.242 1.00 0.00 H new ATOM 0 HB3 SER A 713 -3.887 -7.352 16.489 1.00 0.00 H new ATOM 0 HG SER A 713 -5.735 -6.169 15.737 1.00 0.00 H new ATOM 621 N GLY A 714 -3.778 -7.529 12.549 1.00 0.00 N ATOM 622 CA GLY A 714 -3.255 -6.687 11.489 1.00 0.00 C ATOM 623 C GLY A 714 -2.076 -7.318 10.776 1.00 0.00 C ATOM 624 O GLY A 714 -1.104 -7.687 11.435 1.00 0.00 O ATOM 0 H GLY A 714 -4.673 -7.973 12.341 1.00 0.00 H new ATOM 0 HA2 GLY A 714 -4.046 -6.484 10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 714 -2.951 -5.728 11.908 1.00 0.00 H new TER 628 GLY A 714 HETATM 629 ZN ZN A 201 8.815 -0.495 6.388 1.00 0.00 ZN