USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 253 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 Set 1.1: A 696 GLN : amide:sc= 0.872 K(o=0.73,f=-4.5) USER MOD Set 1.2: A 697 LYS NZ :NH3+ 163:sc= -0.139 (180deg=-0.885) USER MOD Single : A -1 MET CE :methyl -161:sc= 0 (180deg=-0.118) USER MOD Single : A -2 HIS : no HE2:sc= 0.94 K(o=0.94,f=-2.9!) USER MOD Single : A -3 GLY N :NH3+ 172:sc= 1.57 (180deg=1.25) USER MOD Single : A 681 SER OG : rot 180:sc= 0.0722 USER MOD Single : A 686 GLN : amide:sc= 0.95 K(o=0.95,f=0) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A 704 LYS NZ :NH3+ -144:sc= 0.664 (180deg=-0.116!) USER MOD Single : A 706 THR OG1 : rot -80:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 1.045 2.948 4.035 1.00 0.00 N ATOM 2 CA GLY A -3 0.881 1.855 3.064 1.00 0.00 C ATOM 3 C GLY A -3 -0.494 1.211 3.184 1.00 0.00 C ATOM 4 O GLY A -3 -1.484 1.893 3.437 1.00 0.00 O ATOM 0 H1 GLY A -3 2.031 3.277 4.024 1.00 0.00 H new ATOM 0 H2 GLY A -3 0.415 3.735 3.781 1.00 0.00 H new ATOM 0 H3 GLY A -3 0.805 2.605 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.018 2.240 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.653 1.103 3.226 1.00 0.00 H new ATOM 10 N HIS A -2 -0.555 -0.116 3.004 1.00 0.00 N ATOM 11 CA HIS A -2 -1.716 -0.993 3.226 1.00 0.00 C ATOM 12 C HIS A -2 -2.807 -0.853 2.154 1.00 0.00 C ATOM 13 O HIS A -2 -3.156 -1.850 1.532 1.00 0.00 O ATOM 14 CB HIS A -2 -2.246 -0.871 4.669 1.00 0.00 C ATOM 15 CG HIS A -2 -1.159 -0.970 5.720 1.00 0.00 C ATOM 16 ND1 HIS A -2 -1.032 -0.224 6.876 1.00 0.00 N ATOM 17 CD2 HIS A -2 -0.072 -1.805 5.675 1.00 0.00 C ATOM 18 CE1 HIS A -2 0.095 -0.601 7.492 1.00 0.00 C ATOM 19 NE2 HIS A -2 0.734 -1.547 6.783 1.00 0.00 N ATOM 0 H HIS A -2 0.257 -0.640 2.678 1.00 0.00 H new ATOM 0 HA HIS A -2 -1.361 -2.017 3.110 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -2.762 0.083 4.779 1.00 0.00 H new ATOM 0 HB3 HIS A -2 -2.983 -1.654 4.845 1.00 0.00 H new ATOM 0 HD1 HIS A -2 -1.683 0.490 7.203 1.00 0.00 H new ATOM 0 HD2 HIS A -2 0.127 -2.540 4.909 1.00 0.00 H new ATOM 0 HE1 HIS A -2 0.444 -0.199 8.432 1.00 0.00 H new ATOM 27 N MET A -1 -3.291 0.360 1.882 1.00 0.00 N ATOM 28 CA MET A -1 -4.167 0.661 0.742 1.00 0.00 C ATOM 29 C MET A -1 -3.980 2.115 0.280 1.00 0.00 C ATOM 30 O MET A -1 -4.822 2.669 -0.419 1.00 0.00 O ATOM 31 CB MET A -1 -5.640 0.332 1.056 1.00 0.00 C ATOM 32 CG MET A -1 -6.186 1.103 2.260 1.00 0.00 C ATOM 33 SD MET A -1 -7.988 1.176 2.402 1.00 0.00 S ATOM 34 CE MET A -1 -8.349 2.381 1.092 1.00 0.00 C ATOM 0 H MET A -1 -3.083 1.177 2.456 1.00 0.00 H new ATOM 0 HA MET A -1 -3.877 0.016 -0.088 1.00 0.00 H new ATOM 0 HB2 MET A -1 -6.250 0.557 0.181 1.00 0.00 H new ATOM 0 HB3 MET A -1 -5.735 -0.737 1.244 1.00 0.00 H new ATOM 0 HG2 MET A -1 -5.788 0.650 3.168 1.00 0.00 H new ATOM 0 HG3 MET A -1 -5.803 2.123 2.218 1.00 0.00 H new ATOM 0 HE1 MET A -1 -9.342 2.801 1.248 1.00 0.00 H new ATOM 0 HE2 MET A -1 -7.608 3.180 1.119 1.00 0.00 H new ATOM 0 HE3 MET A -1 -8.313 1.885 0.122 1.00 0.00 H new ATOM 44 N PHE A 679 -2.876 2.734 0.687 1.00 0.00 N ATOM 45 CA PHE A 679 -2.451 4.083 0.352 1.00 0.00 C ATOM 46 C PHE A 679 -0.948 4.000 0.039 1.00 0.00 C ATOM 47 O PHE A 679 -0.359 2.926 0.252 1.00 0.00 O ATOM 48 CB PHE A 679 -2.719 5.001 1.564 1.00 0.00 C ATOM 49 CG PHE A 679 -4.089 5.646 1.558 1.00 0.00 C ATOM 50 CD1 PHE A 679 -4.275 6.874 0.899 1.00 0.00 C ATOM 51 CD2 PHE A 679 -5.171 5.035 2.216 1.00 0.00 C ATOM 52 CE1 PHE A 679 -5.564 7.422 0.798 1.00 0.00 C ATOM 53 CE2 PHE A 679 -6.445 5.629 2.187 1.00 0.00 C ATOM 54 CZ PHE A 679 -6.653 6.794 1.432 1.00 0.00 C ATOM 0 H PHE A 679 -2.209 2.270 1.304 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.990 4.491 -0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.607 4.419 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.961 5.783 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -3.430 7.394 0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -5.023 4.106 2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -5.721 8.328 0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -7.260 5.191 2.743 1.00 0.00 H new ATOM 0 HZ PHE A 679 -7.646 7.208 1.338 1.00 0.00 H new ATOM 64 N PRO A 680 -0.318 5.081 -0.476 1.00 0.00 N ATOM 65 CA PRO A 680 1.129 5.197 -0.599 1.00 0.00 C ATOM 66 C PRO A 680 1.896 4.596 0.581 1.00 0.00 C ATOM 67 O PRO A 680 1.406 4.540 1.712 1.00 0.00 O ATOM 68 CB PRO A 680 1.403 6.689 -0.770 1.00 0.00 C ATOM 69 CG PRO A 680 0.199 7.132 -1.597 1.00 0.00 C ATOM 70 CD PRO A 680 -0.945 6.241 -1.105 1.00 0.00 C ATOM 0 HA PRO A 680 1.487 4.619 -1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 680 1.455 7.208 0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 680 2.345 6.876 -1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -0.024 8.188 -1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 680 0.378 6.997 -2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.576 6.775 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -1.585 5.936 -1.933 1.00 0.00 H new ATOM 78 N SER A 681 3.106 4.115 0.294 1.00 0.00 N ATOM 79 CA SER A 681 3.927 3.303 1.176 1.00 0.00 C ATOM 80 C SER A 681 3.985 3.785 2.621 1.00 0.00 C ATOM 81 O SER A 681 3.849 2.969 3.530 1.00 0.00 O ATOM 82 CB SER A 681 5.328 3.187 0.561 1.00 0.00 C ATOM 83 OG SER A 681 5.240 2.961 -0.842 1.00 0.00 O ATOM 0 H SER A 681 3.557 4.293 -0.604 1.00 0.00 H new ATOM 0 HA SER A 681 3.454 2.324 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 681 5.893 4.099 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 681 5.872 2.369 1.034 1.00 0.00 H new ATOM 0 HG SER A 681 6.142 2.891 -1.219 1.00 0.00 H new ATOM 89 N ASP A 682 4.096 5.090 2.814 1.00 0.00 N ATOM 90 CA ASP A 682 4.117 5.793 4.085 1.00 0.00 C ATOM 91 C ASP A 682 2.746 5.763 4.786 1.00 0.00 C ATOM 92 O ASP A 682 2.525 4.897 5.637 1.00 0.00 O ATOM 93 CB ASP A 682 4.658 7.217 3.834 1.00 0.00 C ATOM 94 CG ASP A 682 3.849 7.977 2.776 1.00 0.00 C ATOM 95 OD1 ASP A 682 3.888 7.548 1.599 1.00 0.00 O ATOM 96 OD2 ASP A 682 3.088 8.877 3.179 1.00 0.00 O ATOM 0 H ASP A 682 4.180 5.732 2.026 1.00 0.00 H new ATOM 0 HA ASP A 682 4.783 5.289 4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 682 4.643 7.777 4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.699 7.155 3.515 1.00 0.00 H new ATOM 101 N ILE A 683 1.808 6.632 4.415 1.00 0.00 N ATOM 102 CA ILE A 683 0.538 6.908 5.092 1.00 0.00 C ATOM 103 C ILE A 683 -0.283 5.649 5.346 1.00 0.00 C ATOM 104 O ILE A 683 -0.739 4.977 4.423 1.00 0.00 O ATOM 105 CB ILE A 683 -0.330 7.936 4.321 1.00 0.00 C ATOM 106 CG1 ILE A 683 -0.193 7.767 2.803 1.00 0.00 C ATOM 107 CG2 ILE A 683 -0.080 9.398 4.711 1.00 0.00 C ATOM 108 CD1 ILE A 683 -1.181 8.589 1.981 1.00 0.00 C ATOM 0 H ILE A 683 1.921 7.202 3.577 1.00 0.00 H new ATOM 0 HA ILE A 683 0.819 7.335 6.055 1.00 0.00 H new ATOM 0 HB ILE A 683 -1.353 7.709 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 683 0.820 8.042 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -0.322 6.714 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -0.729 10.047 4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -0.295 9.534 5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 683 0.962 9.654 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -1.011 8.407 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -2.199 8.300 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -1.039 9.648 2.195 1.00 0.00 H new ATOM 120 N ASP A 684 -0.461 5.308 6.619 1.00 0.00 N ATOM 121 CA ASP A 684 -1.423 4.280 6.996 1.00 0.00 C ATOM 122 C ASP A 684 -2.827 4.829 6.677 1.00 0.00 C ATOM 123 O ASP A 684 -3.024 6.042 6.815 1.00 0.00 O ATOM 124 CB ASP A 684 -1.283 3.966 8.484 1.00 0.00 C ATOM 125 CG ASP A 684 -2.313 2.921 8.874 1.00 0.00 C ATOM 126 OD1 ASP A 684 -2.090 1.750 8.502 1.00 0.00 O ATOM 127 OD2 ASP A 684 -3.364 3.299 9.434 1.00 0.00 O ATOM 0 H ASP A 684 0.044 5.725 7.401 1.00 0.00 H new ATOM 0 HA ASP A 684 -1.251 3.355 6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -0.278 3.601 8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -1.425 4.872 9.074 1.00 0.00 H new ATOM 132 N PRO A 685 -3.817 4.025 6.250 1.00 0.00 N ATOM 133 CA PRO A 685 -5.128 4.540 5.887 1.00 0.00 C ATOM 134 C PRO A 685 -5.806 5.264 7.052 1.00 0.00 C ATOM 135 O PRO A 685 -6.553 6.210 6.808 1.00 0.00 O ATOM 136 CB PRO A 685 -5.956 3.328 5.436 1.00 0.00 C ATOM 137 CG PRO A 685 -4.908 2.257 5.154 1.00 0.00 C ATOM 138 CD PRO A 685 -3.834 2.583 6.172 1.00 0.00 C ATOM 0 HA PRO A 685 -5.038 5.282 5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -6.655 3.010 6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -6.546 3.554 4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -5.306 1.252 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -4.532 2.315 4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.061 2.138 7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -2.865 2.193 5.861 1.00 0.00 H new ATOM 146 N GLN A 686 -5.552 4.844 8.299 1.00 0.00 N ATOM 147 CA GLN A 686 -6.176 5.470 9.454 1.00 0.00 C ATOM 148 C GLN A 686 -5.656 6.907 9.581 1.00 0.00 C ATOM 149 O GLN A 686 -6.449 7.839 9.693 1.00 0.00 O ATOM 150 CB GLN A 686 -5.921 4.645 10.732 1.00 0.00 C ATOM 151 CG GLN A 686 -6.430 3.189 10.627 1.00 0.00 C ATOM 152 CD GLN A 686 -5.861 2.278 11.717 1.00 0.00 C ATOM 153 OE1 GLN A 686 -6.575 1.797 12.591 1.00 0.00 O ATOM 154 NE2 GLN A 686 -4.570 1.996 11.670 1.00 0.00 N ATOM 0 H GLN A 686 -4.920 4.076 8.525 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.257 5.503 9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -4.852 4.635 10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -6.408 5.134 11.576 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -7.518 3.185 10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -6.165 2.787 9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -3.986 2.402 10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -4.158 1.373 12.365 1.00 0.00 H new ATOM 163 N VAL A 687 -4.331 7.080 9.452 1.00 0.00 N ATOM 164 CA VAL A 687 -3.684 8.389 9.434 1.00 0.00 C ATOM 165 C VAL A 687 -4.228 9.209 8.265 1.00 0.00 C ATOM 166 O VAL A 687 -4.499 10.398 8.418 1.00 0.00 O ATOM 167 CB VAL A 687 -2.143 8.247 9.337 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.441 9.614 9.410 1.00 0.00 C ATOM 169 CG2 VAL A 687 -1.595 7.402 10.507 1.00 0.00 C ATOM 0 H VAL A 687 -3.677 6.303 9.357 1.00 0.00 H new ATOM 0 HA VAL A 687 -3.907 8.906 10.367 1.00 0.00 H new ATOM 0 HB VAL A 687 -1.941 7.769 8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 687 -0.362 9.473 9.339 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.780 10.242 8.586 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -1.682 10.097 10.357 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -0.512 7.316 10.418 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -1.844 7.884 11.452 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.041 6.408 10.478 1.00 0.00 H new ATOM 179 N PHE A 688 -4.398 8.592 7.091 1.00 0.00 N ATOM 180 CA PHE A 688 -4.828 9.330 5.924 1.00 0.00 C ATOM 181 C PHE A 688 -6.211 9.939 6.125 1.00 0.00 C ATOM 182 O PHE A 688 -6.429 11.066 5.699 1.00 0.00 O ATOM 183 CB PHE A 688 -4.816 8.478 4.656 1.00 0.00 C ATOM 184 CG PHE A 688 -5.128 9.360 3.468 1.00 0.00 C ATOM 185 CD1 PHE A 688 -4.127 10.208 2.969 1.00 0.00 C ATOM 186 CD2 PHE A 688 -6.442 9.454 2.971 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.424 11.120 1.947 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.735 10.353 1.930 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.720 11.179 1.413 1.00 0.00 C ATOM 0 H PHE A 688 -4.244 7.596 6.935 1.00 0.00 H new ATOM 0 HA PHE A 688 -4.104 10.134 5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.842 8.006 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -5.551 7.677 4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -3.127 10.158 3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -7.224 8.837 3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.655 11.778 1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.736 10.409 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 688 -5.939 11.860 0.604 1.00 0.00 H new ATOM 199 N TYR A 689 -7.146 9.233 6.760 1.00 0.00 N ATOM 200 CA TYR A 689 -8.482 9.758 6.992 1.00 0.00 C ATOM 201 C TYR A 689 -8.544 10.671 8.224 1.00 0.00 C ATOM 202 O TYR A 689 -9.509 11.418 8.367 1.00 0.00 O ATOM 203 CB TYR A 689 -9.478 8.600 7.052 1.00 0.00 C ATOM 204 CG TYR A 689 -9.746 7.947 5.703 1.00 0.00 C ATOM 205 CD1 TYR A 689 -10.349 8.693 4.674 1.00 0.00 C ATOM 206 CD2 TYR A 689 -9.389 6.608 5.461 1.00 0.00 C ATOM 207 CE1 TYR A 689 -10.544 8.139 3.399 1.00 0.00 C ATOM 208 CE2 TYR A 689 -9.592 6.033 4.193 1.00 0.00 C ATOM 209 CZ TYR A 689 -10.154 6.802 3.151 1.00 0.00 C ATOM 210 OH TYR A 689 -10.339 6.241 1.922 1.00 0.00 O ATOM 0 H TYR A 689 -6.997 8.291 7.123 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.760 10.400 6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -9.101 7.845 7.742 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.420 8.965 7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -10.667 9.707 4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -8.956 6.017 6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -10.989 8.730 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -9.318 5.003 4.017 1.00 0.00 H new ATOM 0 HH TYR A 689 -10.012 5.317 1.932 1.00 0.00 H new ATOM 220 N GLU A 690 -7.538 10.632 9.104 1.00 0.00 N ATOM 221 CA GLU A 690 -7.373 11.604 10.186 1.00 0.00 C ATOM 222 C GLU A 690 -6.944 12.970 9.618 1.00 0.00 C ATOM 223 O GLU A 690 -7.211 14.012 10.217 1.00 0.00 O ATOM 224 CB GLU A 690 -6.368 11.039 11.209 1.00 0.00 C ATOM 225 CG GLU A 690 -6.196 11.911 12.462 1.00 0.00 C ATOM 226 CD GLU A 690 -5.350 11.232 13.553 1.00 0.00 C ATOM 227 OE1 GLU A 690 -4.372 10.527 13.204 1.00 0.00 O ATOM 228 OE2 GLU A 690 -5.678 11.447 14.744 1.00 0.00 O ATOM 0 H GLU A 690 -6.810 9.918 9.084 1.00 0.00 H new ATOM 0 HA GLU A 690 -8.320 11.770 10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -6.695 10.044 11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -5.399 10.922 10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -5.728 12.854 12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -7.178 12.152 12.868 1.00 0.00 H new ATOM 235 N LEU A 691 -6.337 12.994 8.422 1.00 0.00 N ATOM 236 CA LEU A 691 -6.054 14.240 7.716 1.00 0.00 C ATOM 237 C LEU A 691 -7.366 15.003 7.470 1.00 0.00 C ATOM 238 O LEU A 691 -8.394 14.370 7.208 1.00 0.00 O ATOM 239 CB LEU A 691 -5.344 13.993 6.375 1.00 0.00 C ATOM 240 CG LEU A 691 -3.976 13.291 6.476 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.368 13.122 5.077 1.00 0.00 C ATOM 242 CD2 LEU A 691 -2.989 14.060 7.370 1.00 0.00 C ATOM 0 H LEU A 691 -6.033 12.156 7.926 1.00 0.00 H new ATOM 0 HA LEU A 691 -5.386 14.831 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -5.997 13.392 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.207 14.951 5.873 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.149 12.316 6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.401 12.625 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.035 12.520 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.235 14.101 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.040 13.525 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -2.827 15.057 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -3.399 14.145 8.376 1.00 0.00 H new ATOM 254 N PRO A 692 -7.347 16.350 7.473 1.00 0.00 N ATOM 255 CA PRO A 692 -8.536 17.148 7.218 1.00 0.00 C ATOM 256 C PRO A 692 -9.167 16.754 5.890 1.00 0.00 C ATOM 257 O PRO A 692 -8.457 16.454 4.927 1.00 0.00 O ATOM 258 CB PRO A 692 -8.079 18.611 7.190 1.00 0.00 C ATOM 259 CG PRO A 692 -6.753 18.593 7.945 1.00 0.00 C ATOM 260 CD PRO A 692 -6.190 17.212 7.631 1.00 0.00 C ATOM 0 HA PRO A 692 -9.291 16.990 7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -7.953 18.971 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -8.805 19.266 7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.086 19.386 7.606 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -6.898 18.734 9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -5.587 17.231 6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -5.544 16.859 8.435 1.00 0.00 H new ATOM 268 N GLU A 693 -10.493 16.856 5.816 1.00 0.00 N ATOM 269 CA GLU A 693 -11.268 16.426 4.662 1.00 0.00 C ATOM 270 C GLU A 693 -10.689 16.979 3.363 1.00 0.00 C ATOM 271 O GLU A 693 -10.401 16.228 2.429 1.00 0.00 O ATOM 272 CB GLU A 693 -12.736 16.843 4.898 1.00 0.00 C ATOM 273 CG GLU A 693 -13.730 16.507 3.771 1.00 0.00 C ATOM 274 CD GLU A 693 -13.863 15.010 3.479 1.00 0.00 C ATOM 275 OE1 GLU A 693 -13.140 14.194 4.088 1.00 0.00 O ATOM 276 OE2 GLU A 693 -14.537 14.651 2.493 1.00 0.00 O ATOM 0 H GLU A 693 -11.063 17.245 6.567 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.223 15.343 4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.084 16.366 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -12.763 17.919 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -14.710 16.903 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -13.416 17.017 2.860 1.00 0.00 H new ATOM 283 N ALA A 694 -10.405 18.280 3.339 1.00 0.00 N ATOM 284 CA ALA A 694 -9.878 18.920 2.151 1.00 0.00 C ATOM 285 C ALA A 694 -8.451 18.502 1.811 1.00 0.00 C ATOM 286 O ALA A 694 -8.099 18.527 0.636 1.00 0.00 O ATOM 287 CB ALA A 694 -9.997 20.432 2.301 1.00 0.00 C ATOM 0 H ALA A 694 -10.534 18.906 4.134 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.478 18.584 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -9.602 20.918 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -11.045 20.704 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -9.430 20.757 3.173 1.00 0.00 H new ATOM 293 N VAL A 695 -7.652 18.081 2.792 1.00 0.00 N ATOM 294 CA VAL A 695 -6.338 17.528 2.524 1.00 0.00 C ATOM 295 C VAL A 695 -6.492 16.147 1.887 1.00 0.00 C ATOM 296 O VAL A 695 -5.745 15.819 0.972 1.00 0.00 O ATOM 297 CB VAL A 695 -5.478 17.474 3.800 1.00 0.00 C ATOM 298 CG1 VAL A 695 -4.142 16.747 3.585 1.00 0.00 C ATOM 299 CG2 VAL A 695 -5.200 18.894 4.317 1.00 0.00 C ATOM 0 H VAL A 695 -7.900 18.116 3.781 1.00 0.00 H new ATOM 0 HA VAL A 695 -5.814 18.180 1.826 1.00 0.00 H new ATOM 0 HB VAL A 695 -6.050 16.909 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.578 16.739 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.333 15.722 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.566 17.263 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -4.591 18.840 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -4.668 19.461 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -6.144 19.389 4.545 1.00 0.00 H new ATOM 309 N GLN A 696 -7.472 15.349 2.324 1.00 0.00 N ATOM 310 CA GLN A 696 -7.660 14.018 1.767 1.00 0.00 C ATOM 311 C GLN A 696 -8.037 14.175 0.299 1.00 0.00 C ATOM 312 O GLN A 696 -7.504 13.520 -0.595 1.00 0.00 O ATOM 313 CB GLN A 696 -8.806 13.281 2.465 1.00 0.00 C ATOM 314 CG GLN A 696 -8.644 12.980 3.955 1.00 0.00 C ATOM 315 CD GLN A 696 -9.967 12.468 4.519 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.775 11.906 3.776 1.00 0.00 O ATOM 317 NE2 GLN A 696 -10.242 12.700 5.789 1.00 0.00 N ATOM 0 H GLN A 696 -8.137 15.604 3.054 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.740 13.449 1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.713 13.871 2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -8.965 12.336 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -7.861 12.236 4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.334 13.880 4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.556 13.167 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -11.140 12.413 6.177 1.00 0.00 H new ATOM 326 N LYS A 697 -8.992 15.076 0.072 1.00 0.00 N ATOM 327 CA LYS A 697 -9.508 15.386 -1.244 1.00 0.00 C ATOM 328 C LYS A 697 -8.384 15.925 -2.130 1.00 0.00 C ATOM 329 O LYS A 697 -8.257 15.458 -3.257 1.00 0.00 O ATOM 330 CB LYS A 697 -10.662 16.382 -1.097 1.00 0.00 C ATOM 331 CG LYS A 697 -12.054 15.721 -1.099 1.00 0.00 C ATOM 332 CD LYS A 697 -12.499 15.034 0.202 1.00 0.00 C ATOM 333 CE LYS A 697 -11.910 13.639 0.504 1.00 0.00 C ATOM 334 NZ LYS A 697 -12.447 13.069 1.766 1.00 0.00 N ATOM 0 H LYS A 697 -9.431 15.616 0.817 1.00 0.00 H new ATOM 0 HA LYS A 697 -9.893 14.489 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.535 16.938 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.612 17.106 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.791 16.484 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -12.077 14.981 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -12.249 15.693 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -13.585 14.944 0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -12.134 12.964 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.824 13.711 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.264 12.046 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -11.982 13.523 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -13.472 13.238 1.815 1.00 0.00 H new ATOM 348 N GLU A 698 -7.570 16.856 -1.636 1.00 0.00 N ATOM 349 CA GLU A 698 -6.482 17.446 -2.404 1.00 0.00 C ATOM 350 C GLU A 698 -5.407 16.405 -2.728 1.00 0.00 C ATOM 351 O GLU A 698 -4.924 16.370 -3.849 1.00 0.00 O ATOM 352 CB GLU A 698 -5.915 18.651 -1.633 1.00 0.00 C ATOM 353 CG GLU A 698 -4.677 19.322 -2.252 1.00 0.00 C ATOM 354 CD GLU A 698 -4.888 19.978 -3.625 1.00 0.00 C ATOM 355 OE1 GLU A 698 -5.809 19.604 -4.385 1.00 0.00 O ATOM 356 OE2 GLU A 698 -4.047 20.828 -3.987 1.00 0.00 O ATOM 0 H GLU A 698 -7.649 17.222 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 698 -6.862 17.800 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.701 19.400 -1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -5.662 18.326 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -4.314 20.082 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -3.890 18.574 -2.345 1.00 0.00 H new ATOM 363 N LEU A 699 -5.067 15.508 -1.798 1.00 0.00 N ATOM 364 CA LEU A 699 -4.118 14.416 -2.037 1.00 0.00 C ATOM 365 C LEU A 699 -4.659 13.464 -3.103 1.00 0.00 C ATOM 366 O LEU A 699 -3.906 13.031 -3.969 1.00 0.00 O ATOM 367 CB LEU A 699 -3.842 13.670 -0.718 1.00 0.00 C ATOM 368 CG LEU A 699 -2.765 14.241 0.241 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.439 13.480 0.124 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.472 15.742 0.109 1.00 0.00 C ATOM 0 H LEU A 699 -5.445 15.519 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.179 14.830 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.780 13.612 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.556 12.648 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 699 -3.219 14.099 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.711 13.910 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.598 12.431 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.064 13.557 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.704 16.027 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.121 15.957 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.382 16.309 0.305 1.00 0.00 H new ATOM 382 N LEU A 700 -5.959 13.155 -3.091 1.00 0.00 N ATOM 383 CA LEU A 700 -6.569 12.338 -4.137 1.00 0.00 C ATOM 384 C LEU A 700 -6.560 13.085 -5.477 1.00 0.00 C ATOM 385 O LEU A 700 -6.285 12.472 -6.510 1.00 0.00 O ATOM 386 CB LEU A 700 -7.996 11.919 -3.730 1.00 0.00 C ATOM 387 CG LEU A 700 -8.030 10.817 -2.648 1.00 0.00 C ATOM 388 CD1 LEU A 700 -9.425 10.734 -2.014 1.00 0.00 C ATOM 389 CD2 LEU A 700 -7.674 9.439 -3.224 1.00 0.00 C ATOM 0 H LEU A 700 -6.608 13.460 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 700 -5.980 11.429 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.532 12.794 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.528 11.566 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 700 -7.287 11.087 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -9.433 9.953 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -9.673 11.691 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -10.161 10.499 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -7.710 8.693 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.389 9.175 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -6.670 9.470 -3.648 1.00 0.00 H new ATOM 401 N ALA A 701 -6.824 14.396 -5.481 1.00 0.00 N ATOM 402 CA ALA A 701 -6.732 15.210 -6.686 1.00 0.00 C ATOM 403 C ALA A 701 -5.291 15.250 -7.197 1.00 0.00 C ATOM 404 O ALA A 701 -5.080 15.186 -8.406 1.00 0.00 O ATOM 405 CB ALA A 701 -7.256 16.624 -6.415 1.00 0.00 C ATOM 0 H ALA A 701 -7.106 14.916 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.353 14.759 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -7.181 17.220 -7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -8.298 16.572 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.662 17.087 -5.627 1.00 0.00 H new ATOM 411 N GLU A 702 -4.313 15.318 -6.294 1.00 0.00 N ATOM 412 CA GLU A 702 -2.896 15.316 -6.609 1.00 0.00 C ATOM 413 C GLU A 702 -2.557 14.000 -7.290 1.00 0.00 C ATOM 414 O GLU A 702 -2.109 13.985 -8.433 1.00 0.00 O ATOM 415 CB GLU A 702 -2.047 15.567 -5.347 1.00 0.00 C ATOM 416 CG GLU A 702 -0.565 15.813 -5.667 1.00 0.00 C ATOM 417 CD GLU A 702 -0.379 17.121 -6.438 1.00 0.00 C ATOM 418 OE1 GLU A 702 -0.208 18.182 -5.799 1.00 0.00 O ATOM 419 OE2 GLU A 702 -0.542 17.110 -7.678 1.00 0.00 O ATOM 0 H GLU A 702 -4.498 15.378 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.661 16.132 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -2.446 16.428 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -2.133 14.709 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 702 0.009 15.848 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 702 -0.173 14.982 -6.254 1.00 0.00 H new ATOM 426 N TRP A 703 -2.880 12.874 -6.661 1.00 0.00 N ATOM 427 CA TRP A 703 -2.686 11.546 -7.232 1.00 0.00 C ATOM 428 C TRP A 703 -3.577 11.276 -8.455 1.00 0.00 C ATOM 429 O TRP A 703 -3.395 10.249 -9.106 1.00 0.00 O ATOM 430 CB TRP A 703 -2.918 10.518 -6.118 1.00 0.00 C ATOM 431 CG TRP A 703 -2.026 10.628 -4.924 1.00 0.00 C ATOM 432 CD1 TRP A 703 -0.727 11.008 -4.897 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.396 10.374 -3.542 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.273 10.989 -3.592 1.00 0.00 N ATOM 435 CE2 TRP A 703 -1.267 10.617 -2.711 1.00 0.00 C ATOM 436 CE3 TRP A 703 -3.599 9.985 -2.919 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -1.328 10.457 -1.319 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -3.680 9.859 -1.525 1.00 0.00 C ATOM 439 CH2 TRP A 703 -2.546 10.081 -0.729 1.00 0.00 C ATOM 0 H TRP A 703 -3.290 12.859 -5.727 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.667 11.470 -7.612 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -3.952 10.603 -5.783 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -2.802 9.521 -6.542 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.138 11.283 -5.760 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.680 11.222 -3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.470 9.781 -3.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -0.451 10.620 -0.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -4.618 9.590 -1.062 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -2.610 9.962 0.343 1.00 0.00 H new ATOM 450 N LYS A 704 -4.512 12.177 -8.799 1.00 0.00 N ATOM 451 CA LYS A 704 -5.263 12.132 -10.055 1.00 0.00 C ATOM 452 C LYS A 704 -4.860 13.244 -11.038 1.00 0.00 C ATOM 453 O LYS A 704 -5.430 13.284 -12.133 1.00 0.00 O ATOM 454 CB LYS A 704 -6.771 12.050 -9.740 1.00 0.00 C ATOM 455 CG LYS A 704 -7.728 11.629 -10.875 1.00 0.00 C ATOM 456 CD LYS A 704 -7.673 10.158 -11.331 1.00 0.00 C ATOM 457 CE LYS A 704 -6.348 9.640 -11.911 1.00 0.00 C ATOM 458 NZ LYS A 704 -5.801 10.474 -13.002 1.00 0.00 N ATOM 0 H LYS A 704 -4.767 12.964 -8.203 1.00 0.00 H new ATOM 0 HA LYS A 704 -5.001 11.226 -10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -6.902 11.349 -8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -7.090 13.028 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.747 11.846 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -7.524 12.259 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -7.933 9.532 -10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -8.449 10.010 -12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -5.612 9.580 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -6.498 8.626 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -5.346 9.864 -13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -6.572 11.009 -13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -5.099 11.137 -12.614 1.00 0.00 H new ATOM 472 N ARG A 705 -3.885 14.103 -10.707 1.00 0.00 N ATOM 473 CA ARG A 705 -3.265 15.063 -11.631 1.00 0.00 C ATOM 474 C ARG A 705 -1.765 14.811 -11.826 1.00 0.00 C ATOM 475 O ARG A 705 -1.151 15.491 -12.645 1.00 0.00 O ATOM 476 CB ARG A 705 -3.583 16.514 -11.208 1.00 0.00 C ATOM 477 CG ARG A 705 -2.788 17.042 -10.004 1.00 0.00 C ATOM 478 CD ARG A 705 -3.569 18.126 -9.239 1.00 0.00 C ATOM 479 NE ARG A 705 -2.858 18.565 -8.025 1.00 0.00 N ATOM 480 CZ ARG A 705 -3.389 19.154 -6.941 1.00 0.00 C ATOM 481 NH1 ARG A 705 -4.689 19.417 -6.875 1.00 0.00 N ATOM 482 NH2 ARG A 705 -2.616 19.477 -5.914 1.00 0.00 N ATOM 0 H ARG A 705 -3.496 14.150 -9.765 1.00 0.00 H new ATOM 0 HA ARG A 705 -3.709 14.908 -12.614 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -3.399 17.170 -12.059 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -4.646 16.582 -10.977 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -2.556 16.217 -9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -1.837 17.451 -10.346 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -3.734 18.983 -9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -4.551 17.740 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 705 -1.851 18.404 -8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -5.299 19.171 -7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 705 -5.077 19.865 -6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 705 -1.616 19.278 -5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 705 -3.021 19.924 -5.092 1.00 0.00 H new ATOM 496 N THR A 706 -1.192 13.835 -11.121 1.00 0.00 N ATOM 497 CA THR A 706 0.196 13.380 -11.264 1.00 0.00 C ATOM 498 C THR A 706 0.250 11.921 -11.748 1.00 0.00 C ATOM 499 O THR A 706 1.307 11.412 -12.124 1.00 0.00 O ATOM 500 CB THR A 706 0.937 13.598 -9.934 1.00 0.00 C ATOM 501 OG1 THR A 706 0.272 13.016 -8.833 1.00 0.00 O ATOM 502 CG2 THR A 706 1.116 15.097 -9.662 1.00 0.00 C ATOM 0 H THR A 706 -1.701 13.317 -10.405 1.00 0.00 H new ATOM 0 HA THR A 706 0.703 13.967 -12.030 1.00 0.00 H new ATOM 0 HB THR A 706 1.905 13.108 -10.041 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.458 13.602 -8.545 1.00 0.00 H new ATOM 0 HG21 THR A 706 1.642 15.235 -8.717 1.00 0.00 H new ATOM 0 HG22 THR A 706 1.695 15.547 -10.469 1.00 0.00 H new ATOM 0 HG23 THR A 706 0.138 15.576 -9.606 1.00 0.00 H new ATOM 510 N GLY A 707 -0.916 11.284 -11.788 1.00 0.00 N ATOM 511 CA GLY A 707 -1.259 10.004 -12.368 1.00 0.00 C ATOM 512 C GLY A 707 -2.747 10.121 -12.671 1.00 0.00 C ATOM 513 O GLY A 707 -3.326 11.205 -12.415 1.00 0.00 O ATOM 514 OXT GLY A 707 -3.371 9.169 -13.174 1.00 0.00 O ATOM 0 H GLY A 707 -1.738 11.711 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -0.682 9.808 -13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -1.056 9.186 -11.677 1.00 0.00 H new TER 518 GLY A 707