USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=7 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 -2 HIS : no HE2:sc= 2.32 K(o=4.8,f=-12!) USER MOD Set 1.2: A 704 LYS NZ :NH3+ -177:sc= 2.53 (180deg=1.28) USER MOD Set 2.1: A 696 GLN : amide:sc= 0.874 K(o=0.48,f=-4.8) USER MOD Set 2.2: A 697 LYS NZ :NH3+ 174:sc= -0.39 (180deg=-0.884) USER MOD Set 3.1: A -3 GLY N :NH3+ -129:sc= -0.65! (180deg=-1.09) USER MOD Set 3.2: A 706 THR OG1 : rot -78:sc= 1.46 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 681 SER OG : rot 63:sc= 0.897 USER MOD Single : A 686 GLN : amide:sc= 1.16 K(o=1.2,f=-0.003) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -0.514 9.219 -8.899 1.00 0.00 N ATOM 2 CA GLY A -3 -0.197 8.003 -8.156 1.00 0.00 C ATOM 3 C GLY A -3 -1.467 7.201 -8.027 1.00 0.00 C ATOM 4 O GLY A -3 -2.221 7.427 -7.090 1.00 0.00 O ATOM 0 H1 GLY A -3 0.158 9.331 -9.685 1.00 0.00 H new ATOM 0 H2 GLY A -3 -1.481 9.153 -9.277 1.00 0.00 H new ATOM 0 H3 GLY A -3 -0.446 10.041 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A -3 0.569 7.426 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY A -3 0.202 8.249 -7.172 1.00 0.00 H new ATOM 10 N HIS A -2 -1.734 6.275 -8.948 1.00 0.00 N ATOM 11 CA HIS A -2 -2.980 5.501 -8.979 1.00 0.00 C ATOM 12 C HIS A -2 -3.060 4.415 -7.880 1.00 0.00 C ATOM 13 O HIS A -2 -3.762 3.420 -8.041 1.00 0.00 O ATOM 14 CB HIS A -2 -3.204 4.978 -10.412 1.00 0.00 C ATOM 15 CG HIS A -2 -3.589 6.089 -11.363 1.00 0.00 C ATOM 16 ND1 HIS A -2 -2.792 7.127 -11.791 1.00 0.00 N ATOM 17 CD2 HIS A -2 -4.838 6.314 -11.875 1.00 0.00 C ATOM 18 CE1 HIS A -2 -3.537 7.963 -12.525 1.00 0.00 C ATOM 19 NE2 HIS A -2 -4.806 7.513 -12.603 1.00 0.00 N ATOM 0 H HIS A -2 -1.088 6.037 -9.701 1.00 0.00 H new ATOM 0 HA HIS A -2 -3.813 6.157 -8.726 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -2.295 4.494 -10.768 1.00 0.00 H new ATOM 0 HB3 HIS A -2 -3.987 4.219 -10.404 1.00 0.00 H new ATOM 0 HD1 HIS A -2 -1.800 7.240 -11.584 1.00 0.00 H new ATOM 0 HD2 HIS A -2 -5.700 5.678 -11.742 1.00 0.00 H new ATOM 0 HE1 HIS A -2 -3.174 8.868 -12.988 1.00 0.00 H new ATOM 27 N MET A -1 -2.355 4.601 -6.765 1.00 0.00 N ATOM 28 CA MET A -1 -2.430 3.818 -5.544 1.00 0.00 C ATOM 29 C MET A -1 -1.935 4.742 -4.420 1.00 0.00 C ATOM 30 O MET A -1 -1.151 5.658 -4.692 1.00 0.00 O ATOM 31 CB MET A -1 -1.563 2.554 -5.699 1.00 0.00 C ATOM 32 CG MET A -1 -1.468 1.692 -4.434 1.00 0.00 C ATOM 33 SD MET A -1 -3.047 1.273 -3.646 1.00 0.00 S ATOM 34 CE MET A -1 -2.404 0.517 -2.129 1.00 0.00 C ATOM 0 H MET A -1 -1.672 5.355 -6.691 1.00 0.00 H new ATOM 0 HA MET A -1 -3.439 3.473 -5.318 1.00 0.00 H new ATOM 0 HB2 MET A -1 -1.969 1.947 -6.508 1.00 0.00 H new ATOM 0 HB3 MET A -1 -0.558 2.852 -5.997 1.00 0.00 H new ATOM 0 HG2 MET A -1 -0.952 0.766 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A -1 -0.847 2.215 -3.706 1.00 0.00 H new ATOM 0 HE1 MET A -1 -3.236 0.191 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A -1 -1.784 -0.342 -2.385 1.00 0.00 H new ATOM 0 HE3 MET A -1 -1.806 1.247 -1.584 1.00 0.00 H new ATOM 44 N PHE A 679 -2.377 4.518 -3.178 1.00 0.00 N ATOM 45 CA PHE A 679 -1.827 5.189 -2.000 1.00 0.00 C ATOM 46 C PHE A 679 -0.301 4.981 -2.006 1.00 0.00 C ATOM 47 O PHE A 679 0.119 3.828 -2.128 1.00 0.00 O ATOM 48 CB PHE A 679 -2.426 4.579 -0.706 1.00 0.00 C ATOM 49 CG PHE A 679 -3.401 5.426 0.101 1.00 0.00 C ATOM 50 CD1 PHE A 679 -3.087 6.766 0.417 1.00 0.00 C ATOM 51 CD2 PHE A 679 -4.569 4.843 0.648 1.00 0.00 C ATOM 52 CE1 PHE A 679 -3.924 7.506 1.265 1.00 0.00 C ATOM 53 CE2 PHE A 679 -5.401 5.591 1.507 1.00 0.00 C ATOM 54 CZ PHE A 679 -5.075 6.915 1.810 1.00 0.00 C ATOM 0 H PHE A 679 -3.129 3.863 -2.963 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.073 6.251 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.934 3.654 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.598 4.308 -0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -2.199 7.223 0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -4.824 3.822 0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -3.683 8.532 1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -6.288 5.141 1.929 1.00 0.00 H new ATOM 0 HZ PHE A 679 -5.712 7.488 2.468 1.00 0.00 H new ATOM 64 N PRO A 680 0.535 6.017 -1.792 1.00 0.00 N ATOM 65 CA PRO A 680 1.972 5.837 -1.591 1.00 0.00 C ATOM 66 C PRO A 680 2.312 4.828 -0.487 1.00 0.00 C ATOM 67 O PRO A 680 3.359 4.193 -0.561 1.00 0.00 O ATOM 68 CB PRO A 680 2.526 7.225 -1.271 1.00 0.00 C ATOM 69 CG PRO A 680 1.523 8.170 -1.927 1.00 0.00 C ATOM 70 CD PRO A 680 0.198 7.431 -1.757 1.00 0.00 C ATOM 0 HA PRO A 680 2.424 5.414 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 680 2.591 7.393 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 680 3.529 7.360 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 680 1.508 9.145 -1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 680 1.758 8.343 -2.977 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -0.282 7.697 -0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -0.500 7.688 -2.554 1.00 0.00 H new ATOM 78 N SER A 681 1.399 4.631 0.472 1.00 0.00 N ATOM 79 CA SER A 681 1.474 3.627 1.535 1.00 0.00 C ATOM 80 C SER A 681 2.601 3.885 2.551 1.00 0.00 C ATOM 81 O SER A 681 2.973 2.987 3.305 1.00 0.00 O ATOM 82 CB SER A 681 1.466 2.211 0.940 1.00 0.00 C ATOM 83 OG SER A 681 0.377 2.054 0.038 1.00 0.00 O ATOM 0 H SER A 681 0.550 5.194 0.529 1.00 0.00 H new ATOM 0 HA SER A 681 0.572 3.718 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 681 2.406 2.024 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 681 1.392 1.475 1.740 1.00 0.00 H new ATOM 0 HG SER A 681 0.485 2.670 -0.716 1.00 0.00 H new ATOM 89 N ASP A 682 3.153 5.101 2.554 1.00 0.00 N ATOM 90 CA ASP A 682 4.056 5.622 3.576 1.00 0.00 C ATOM 91 C ASP A 682 3.206 6.002 4.795 1.00 0.00 C ATOM 92 O ASP A 682 3.562 5.733 5.941 1.00 0.00 O ATOM 93 CB ASP A 682 4.821 6.850 3.025 1.00 0.00 C ATOM 94 CG ASP A 682 3.939 8.060 2.648 1.00 0.00 C ATOM 95 OD1 ASP A 682 2.802 7.841 2.157 1.00 0.00 O ATOM 96 OD2 ASP A 682 4.409 9.202 2.828 1.00 0.00 O ATOM 0 H ASP A 682 2.973 5.776 1.811 1.00 0.00 H new ATOM 0 HA ASP A 682 4.797 4.875 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 682 5.548 7.170 3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.383 6.542 2.143 1.00 0.00 H new ATOM 101 N ILE A 683 2.054 6.603 4.517 1.00 0.00 N ATOM 102 CA ILE A 683 0.960 6.882 5.412 1.00 0.00 C ATOM 103 C ILE A 683 0.118 5.624 5.543 1.00 0.00 C ATOM 104 O ILE A 683 -0.148 4.924 4.557 1.00 0.00 O ATOM 105 CB ILE A 683 0.103 8.032 4.828 1.00 0.00 C ATOM 106 CG1 ILE A 683 -0.394 7.771 3.382 1.00 0.00 C ATOM 107 CG2 ILE A 683 0.875 9.353 4.984 1.00 0.00 C ATOM 108 CD1 ILE A 683 -0.828 9.013 2.611 1.00 0.00 C ATOM 0 H ILE A 683 1.854 6.933 3.573 1.00 0.00 H new ATOM 0 HA ILE A 683 1.334 7.181 6.391 1.00 0.00 H new ATOM 0 HB ILE A 683 -0.823 8.097 5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 683 0.402 7.277 2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -1.233 7.077 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 683 0.282 10.171 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 683 1.070 9.538 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 683 1.821 9.287 4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -1.158 8.725 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -1.649 9.500 3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 683 0.012 9.703 2.530 1.00 0.00 H new ATOM 120 N ASP A 684 -0.320 5.354 6.766 1.00 0.00 N ATOM 121 CA ASP A 684 -1.333 4.337 6.997 1.00 0.00 C ATOM 122 C ASP A 684 -2.660 4.948 6.503 1.00 0.00 C ATOM 123 O ASP A 684 -2.836 6.170 6.624 1.00 0.00 O ATOM 124 CB ASP A 684 -1.373 3.989 8.484 1.00 0.00 C ATOM 125 CG ASP A 684 -2.581 3.113 8.770 1.00 0.00 C ATOM 126 OD1 ASP A 684 -3.648 3.703 9.042 1.00 0.00 O ATOM 127 OD2 ASP A 684 -2.464 1.883 8.595 1.00 0.00 O ATOM 0 H ASP A 684 0.010 5.824 7.609 1.00 0.00 H new ATOM 0 HA ASP A 684 -1.129 3.406 6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -0.459 3.470 8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -1.423 4.900 9.080 1.00 0.00 H new ATOM 132 N PRO A 685 -3.589 4.178 5.905 1.00 0.00 N ATOM 133 CA PRO A 685 -4.801 4.744 5.339 1.00 0.00 C ATOM 134 C PRO A 685 -5.636 5.447 6.398 1.00 0.00 C ATOM 135 O PRO A 685 -6.235 6.479 6.098 1.00 0.00 O ATOM 136 CB PRO A 685 -5.587 3.576 4.731 1.00 0.00 C ATOM 137 CG PRO A 685 -4.548 2.471 4.594 1.00 0.00 C ATOM 138 CD PRO A 685 -3.656 2.734 5.802 1.00 0.00 C ATOM 0 HA PRO A 685 -4.554 5.494 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -6.412 3.271 5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -6.017 3.843 3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -4.999 1.479 4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -3.998 2.541 3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.074 2.292 6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -2.665 2.301 5.664 1.00 0.00 H new ATOM 146 N GLN A 686 -5.705 4.899 7.617 1.00 0.00 N ATOM 147 CA GLN A 686 -6.477 5.531 8.667 1.00 0.00 C ATOM 148 C GLN A 686 -5.853 6.887 8.974 1.00 0.00 C ATOM 149 O GLN A 686 -6.567 7.882 8.956 1.00 0.00 O ATOM 150 CB GLN A 686 -6.555 4.660 9.931 1.00 0.00 C ATOM 151 CG GLN A 686 -7.711 5.158 10.808 1.00 0.00 C ATOM 152 CD GLN A 686 -7.658 4.594 12.223 1.00 0.00 C ATOM 153 OE1 GLN A 686 -8.298 3.595 12.529 1.00 0.00 O ATOM 154 NE2 GLN A 686 -6.922 5.232 13.114 1.00 0.00 N ATOM 0 H GLN A 686 -5.240 4.033 7.888 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.503 5.661 8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -6.710 3.616 9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -5.616 4.710 10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -7.685 6.247 10.854 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -8.658 4.881 10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -6.396 6.062 12.841 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -6.879 4.895 14.076 1.00 0.00 H new ATOM 163 N VAL A 687 -4.530 6.939 9.140 1.00 0.00 N ATOM 164 CA VAL A 687 -3.836 8.172 9.502 1.00 0.00 C ATOM 165 C VAL A 687 -4.044 9.222 8.406 1.00 0.00 C ATOM 166 O VAL A 687 -4.222 10.404 8.701 1.00 0.00 O ATOM 167 CB VAL A 687 -2.348 7.877 9.782 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.570 9.141 10.187 1.00 0.00 C ATOM 169 CG2 VAL A 687 -2.200 6.864 10.933 1.00 0.00 C ATOM 0 H VAL A 687 -3.915 6.133 9.028 1.00 0.00 H new ATOM 0 HA VAL A 687 -4.252 8.584 10.422 1.00 0.00 H new ATOM 0 HB VAL A 687 -1.941 7.479 8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 687 -0.528 8.882 10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.623 9.875 9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -2.007 9.563 11.092 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -1.143 6.670 11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -2.654 7.271 11.837 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.699 5.933 10.664 1.00 0.00 H new ATOM 179 N PHE A 688 -4.065 8.811 7.134 1.00 0.00 N ATOM 180 CA PHE A 688 -4.434 9.716 6.065 1.00 0.00 C ATOM 181 C PHE A 688 -5.870 10.211 6.198 1.00 0.00 C ATOM 182 O PHE A 688 -6.121 11.395 6.016 1.00 0.00 O ATOM 183 CB PHE A 688 -4.279 9.051 4.705 1.00 0.00 C ATOM 184 CG PHE A 688 -4.682 10.011 3.606 1.00 0.00 C ATOM 185 CD1 PHE A 688 -3.832 11.081 3.292 1.00 0.00 C ATOM 186 CD2 PHE A 688 -5.948 9.926 2.994 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.209 12.011 2.317 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.310 10.835 1.989 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.424 11.863 1.634 1.00 0.00 C ATOM 0 H PHE A 688 -3.832 7.865 6.831 1.00 0.00 H new ATOM 0 HA PHE A 688 -3.758 10.567 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.246 8.736 4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -4.896 8.153 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -2.886 11.187 3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -6.643 9.158 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.562 12.845 2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.264 10.744 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 688 -5.678 12.541 0.833 1.00 0.00 H new ATOM 199 N TYR A 689 -6.835 9.333 6.440 1.00 0.00 N ATOM 200 CA TYR A 689 -8.233 9.721 6.516 1.00 0.00 C ATOM 201 C TYR A 689 -8.547 10.467 7.828 1.00 0.00 C ATOM 202 O TYR A 689 -9.591 11.107 7.916 1.00 0.00 O ATOM 203 CB TYR A 689 -9.104 8.482 6.267 1.00 0.00 C ATOM 204 CG TYR A 689 -9.108 7.937 4.843 1.00 0.00 C ATOM 205 CD1 TYR A 689 -9.464 8.763 3.757 1.00 0.00 C ATOM 206 CD2 TYR A 689 -8.796 6.584 4.605 1.00 0.00 C ATOM 207 CE1 TYR A 689 -9.469 8.250 2.445 1.00 0.00 C ATOM 208 CE2 TYR A 689 -8.774 6.068 3.298 1.00 0.00 C ATOM 209 CZ TYR A 689 -9.114 6.901 2.210 1.00 0.00 C ATOM 210 OH TYR A 689 -9.097 6.391 0.949 1.00 0.00 O ATOM 0 H TYR A 689 -6.670 8.337 6.588 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.467 10.445 5.736 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -8.771 7.689 6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.130 8.723 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -9.734 9.794 3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -8.571 5.935 5.438 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -9.744 8.887 1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -8.498 5.038 3.126 1.00 0.00 H new ATOM 0 HH TYR A 689 -8.828 5.449 0.981 1.00 0.00 H new ATOM 220 N GLU A 690 -7.662 10.426 8.830 1.00 0.00 N ATOM 221 CA GLU A 690 -7.723 11.265 10.033 1.00 0.00 C ATOM 222 C GLU A 690 -7.318 12.712 9.706 1.00 0.00 C ATOM 223 O GLU A 690 -7.591 13.624 10.490 1.00 0.00 O ATOM 224 CB GLU A 690 -6.829 10.671 11.144 1.00 0.00 C ATOM 225 CG GLU A 690 -7.436 9.422 11.811 1.00 0.00 C ATOM 226 CD GLU A 690 -6.441 8.694 12.733 1.00 0.00 C ATOM 227 OE1 GLU A 690 -6.301 9.116 13.902 1.00 0.00 O ATOM 228 OE2 GLU A 690 -5.862 7.672 12.291 1.00 0.00 O ATOM 0 H GLU A 690 -6.863 9.792 8.827 1.00 0.00 H new ATOM 0 HA GLU A 690 -8.750 11.283 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -5.858 10.413 10.721 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -6.653 11.432 11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -8.313 9.714 12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -7.779 8.734 11.038 1.00 0.00 H new ATOM 235 N LEU A 691 -6.703 12.963 8.541 1.00 0.00 N ATOM 236 CA LEU A 691 -6.422 14.320 8.079 1.00 0.00 C ATOM 237 C LEU A 691 -7.742 15.063 7.821 1.00 0.00 C ATOM 238 O LEU A 691 -8.729 14.427 7.441 1.00 0.00 O ATOM 239 CB LEU A 691 -5.582 14.317 6.790 1.00 0.00 C ATOM 240 CG LEU A 691 -4.169 13.712 6.922 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.445 13.845 5.576 1.00 0.00 C ATOM 242 CD2 LEU A 691 -3.314 14.379 8.010 1.00 0.00 C ATOM 0 H LEU A 691 -6.390 12.233 7.900 1.00 0.00 H new ATOM 0 HA LEU A 691 -5.851 14.825 8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -6.125 13.764 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.488 15.343 6.436 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.298 12.669 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.444 13.420 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.004 13.311 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.371 14.898 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.334 13.903 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -3.194 15.438 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -3.806 14.271 8.977 1.00 0.00 H new ATOM 254 N PRO A 692 -7.762 16.407 7.935 1.00 0.00 N ATOM 255 CA PRO A 692 -8.946 17.210 7.671 1.00 0.00 C ATOM 256 C PRO A 692 -9.468 16.921 6.269 1.00 0.00 C ATOM 257 O PRO A 692 -8.679 16.781 5.333 1.00 0.00 O ATOM 258 CB PRO A 692 -8.517 18.681 7.792 1.00 0.00 C ATOM 259 CG PRO A 692 -7.203 18.620 8.567 1.00 0.00 C ATOM 260 CD PRO A 692 -6.620 17.272 8.155 1.00 0.00 C ATOM 0 HA PRO A 692 -9.746 16.980 8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -8.382 19.139 6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -9.265 19.273 8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.540 19.444 8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -7.367 18.676 9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -6.018 17.365 7.251 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -5.969 16.872 8.932 1.00 0.00 H new ATOM 268 N GLU A 693 -10.792 16.932 6.120 1.00 0.00 N ATOM 269 CA GLU A 693 -11.490 16.565 4.895 1.00 0.00 C ATOM 270 C GLU A 693 -10.845 17.185 3.660 1.00 0.00 C ATOM 271 O GLU A 693 -10.484 16.484 2.710 1.00 0.00 O ATOM 272 CB GLU A 693 -12.973 16.966 5.072 1.00 0.00 C ATOM 273 CG GLU A 693 -13.913 16.677 3.886 1.00 0.00 C ATOM 274 CD GLU A 693 -14.021 15.192 3.528 1.00 0.00 C ATOM 275 OE1 GLU A 693 -13.327 14.359 4.149 1.00 0.00 O ATOM 276 OE2 GLU A 693 -14.618 14.866 2.482 1.00 0.00 O ATOM 0 H GLU A 693 -11.424 17.205 6.872 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.423 15.490 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.363 16.450 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -13.014 18.034 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -14.907 17.057 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -13.560 17.226 3.013 1.00 0.00 H new ATOM 283 N ALA A 694 -10.606 18.496 3.710 1.00 0.00 N ATOM 284 CA ALA A 694 -10.044 19.218 2.585 1.00 0.00 C ATOM 285 C ALA A 694 -8.604 18.841 2.265 1.00 0.00 C ATOM 286 O ALA A 694 -8.237 18.845 1.088 1.00 0.00 O ATOM 287 CB ALA A 694 -10.178 20.719 2.835 1.00 0.00 C ATOM 0 H ALA A 694 -10.797 19.076 4.527 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.614 18.931 1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -9.757 21.267 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -11.231 20.977 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -9.641 20.986 3.746 1.00 0.00 H new ATOM 293 N VAL A 695 -7.799 18.481 3.265 1.00 0.00 N ATOM 294 CA VAL A 695 -6.441 18.031 3.010 1.00 0.00 C ATOM 295 C VAL A 695 -6.495 16.698 2.271 1.00 0.00 C ATOM 296 O VAL A 695 -5.715 16.480 1.341 1.00 0.00 O ATOM 297 CB VAL A 695 -5.623 17.917 4.313 1.00 0.00 C ATOM 298 CG1 VAL A 695 -4.213 17.352 4.064 1.00 0.00 C ATOM 299 CG2 VAL A 695 -5.510 19.281 5.015 1.00 0.00 C ATOM 0 H VAL A 695 -8.066 18.494 4.249 1.00 0.00 H new ATOM 0 HA VAL A 695 -5.932 18.769 2.390 1.00 0.00 H new ATOM 0 HB VAL A 695 -6.161 17.222 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.674 17.290 5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.292 16.357 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.673 18.008 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -4.929 19.172 5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -5.014 19.991 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -6.507 19.648 5.260 1.00 0.00 H new ATOM 309 N GLN A 696 -7.426 15.817 2.665 1.00 0.00 N ATOM 310 CA GLN A 696 -7.516 14.506 2.052 1.00 0.00 C ATOM 311 C GLN A 696 -7.842 14.716 0.586 1.00 0.00 C ATOM 312 O GLN A 696 -7.227 14.132 -0.298 1.00 0.00 O ATOM 313 CB GLN A 696 -8.649 13.657 2.632 1.00 0.00 C ATOM 314 CG GLN A 696 -8.614 13.299 4.113 1.00 0.00 C ATOM 315 CD GLN A 696 -9.959 12.678 4.502 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.673 12.129 3.660 1.00 0.00 O ATOM 317 NE2 GLN A 696 -10.349 12.805 5.751 1.00 0.00 N ATOM 0 H GLN A 696 -8.114 15.995 3.397 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.572 13.990 2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.585 14.181 2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -8.685 12.725 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -7.803 12.599 4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.422 14.189 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.742 13.263 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -11.259 12.446 6.040 1.00 0.00 H new ATOM 326 N LYS A 697 -8.850 15.554 0.346 1.00 0.00 N ATOM 327 CA LYS A 697 -9.388 15.816 -0.970 1.00 0.00 C ATOM 328 C LYS A 697 -8.278 16.295 -1.906 1.00 0.00 C ATOM 329 O LYS A 697 -8.207 15.783 -3.019 1.00 0.00 O ATOM 330 CB LYS A 697 -10.544 16.821 -0.829 1.00 0.00 C ATOM 331 CG LYS A 697 -11.945 16.179 -0.917 1.00 0.00 C ATOM 332 CD LYS A 697 -12.462 15.436 0.328 1.00 0.00 C ATOM 333 CE LYS A 697 -11.810 14.074 0.627 1.00 0.00 C ATOM 334 NZ LYS A 697 -12.385 13.414 1.827 1.00 0.00 N ATOM 0 H LYS A 697 -9.320 16.077 1.085 1.00 0.00 H new ATOM 0 HA LYS A 697 -9.789 14.908 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.450 17.336 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.452 17.577 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.661 16.964 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -11.943 15.478 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -12.321 16.081 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -13.535 15.284 0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -11.933 13.420 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.739 14.213 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -11.984 12.460 1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -12.157 13.973 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -13.418 13.346 1.725 1.00 0.00 H new ATOM 348 N GLU A 698 -7.416 17.214 -1.470 1.00 0.00 N ATOM 349 CA GLU A 698 -6.344 17.717 -2.322 1.00 0.00 C ATOM 350 C GLU A 698 -5.301 16.631 -2.618 1.00 0.00 C ATOM 351 O GLU A 698 -4.926 16.456 -3.768 1.00 0.00 O ATOM 352 CB GLU A 698 -5.709 18.978 -1.710 1.00 0.00 C ATOM 353 CG GLU A 698 -5.795 20.174 -2.671 1.00 0.00 C ATOM 354 CD GLU A 698 -5.121 19.892 -4.019 1.00 0.00 C ATOM 355 OE1 GLU A 698 -3.876 19.939 -4.088 1.00 0.00 O ATOM 356 OE2 GLU A 698 -5.836 19.600 -5.005 1.00 0.00 O ATOM 0 H GLU A 698 -7.441 17.622 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 698 -6.778 18.000 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.213 19.224 -0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -4.665 18.780 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -6.842 20.428 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -5.326 21.042 -2.208 1.00 0.00 H new ATOM 363 N LEU A 699 -4.885 15.830 -1.627 1.00 0.00 N ATOM 364 CA LEU A 699 -3.977 14.701 -1.843 1.00 0.00 C ATOM 365 C LEU A 699 -4.587 13.633 -2.752 1.00 0.00 C ATOM 366 O LEU A 699 -3.879 13.027 -3.551 1.00 0.00 O ATOM 367 CB LEU A 699 -3.625 14.104 -0.472 1.00 0.00 C ATOM 368 CG LEU A 699 -2.379 14.696 0.205 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.102 14.079 -0.367 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.295 16.224 0.179 1.00 0.00 C ATOM 0 H LEU A 699 -5.170 15.949 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.081 15.060 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.478 14.239 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.478 13.030 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 699 -2.479 14.431 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.234 14.514 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.112 13.002 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.048 14.280 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.382 16.547 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.283 16.570 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.159 16.645 0.693 1.00 0.00 H new ATOM 382 N LEU A 700 -5.893 13.395 -2.654 1.00 0.00 N ATOM 383 CA LEU A 700 -6.595 12.448 -3.509 1.00 0.00 C ATOM 384 C LEU A 700 -6.656 13.003 -4.933 1.00 0.00 C ATOM 385 O LEU A 700 -6.504 12.238 -5.886 1.00 0.00 O ATOM 386 CB LEU A 700 -8.007 12.180 -2.949 1.00 0.00 C ATOM 387 CG LEU A 700 -8.010 11.378 -1.628 1.00 0.00 C ATOM 388 CD1 LEU A 700 -9.351 11.557 -0.898 1.00 0.00 C ATOM 389 CD2 LEU A 700 -7.778 9.881 -1.851 1.00 0.00 C ATOM 0 H LEU A 700 -6.496 13.858 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 700 -6.060 11.499 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.510 13.133 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.587 11.636 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 700 -7.189 11.769 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -9.339 10.986 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -9.505 12.612 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -10.162 11.199 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -7.789 9.364 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.567 9.481 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -6.812 9.730 -2.333 1.00 0.00 H new ATOM 401 N ALA A 701 -6.853 14.316 -5.090 1.00 0.00 N ATOM 402 CA ALA A 701 -6.787 14.986 -6.378 1.00 0.00 C ATOM 403 C ALA A 701 -5.362 14.946 -6.925 1.00 0.00 C ATOM 404 O ALA A 701 -5.197 14.758 -8.129 1.00 0.00 O ATOM 405 CB ALA A 701 -7.290 16.429 -6.260 1.00 0.00 C ATOM 0 H ALA A 701 -7.064 14.943 -4.314 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.435 14.460 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -7.233 16.915 -7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -8.324 16.427 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.671 16.973 -5.547 1.00 0.00 H new ATOM 411 N GLU A 702 -4.342 15.066 -6.075 1.00 0.00 N ATOM 412 CA GLU A 702 -2.938 14.981 -6.453 1.00 0.00 C ATOM 413 C GLU A 702 -2.639 13.585 -6.983 1.00 0.00 C ATOM 414 O GLU A 702 -2.190 13.403 -8.115 1.00 0.00 O ATOM 415 CB GLU A 702 -2.025 15.347 -5.265 1.00 0.00 C ATOM 416 CG GLU A 702 -0.536 15.393 -5.646 1.00 0.00 C ATOM 417 CD GLU A 702 -0.274 16.478 -6.689 1.00 0.00 C ATOM 418 OE1 GLU A 702 -0.007 17.632 -6.300 1.00 0.00 O ATOM 419 OE2 GLU A 702 -0.469 16.207 -7.894 1.00 0.00 O ATOM 0 H GLU A 702 -4.477 15.230 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.734 15.702 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -2.324 16.318 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -2.168 14.620 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 702 0.065 15.584 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 702 -0.226 14.424 -6.038 1.00 0.00 H new ATOM 426 N TRP A 703 -2.959 12.559 -6.205 1.00 0.00 N ATOM 427 CA TRP A 703 -2.769 11.183 -6.612 1.00 0.00 C ATOM 428 C TRP A 703 -3.612 10.838 -7.846 1.00 0.00 C ATOM 429 O TRP A 703 -3.197 9.974 -8.620 1.00 0.00 O ATOM 430 CB TRP A 703 -3.062 10.291 -5.403 1.00 0.00 C ATOM 431 CG TRP A 703 -2.099 10.415 -4.261 1.00 0.00 C ATOM 432 CD1 TRP A 703 -0.774 10.695 -4.320 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.417 10.328 -2.847 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.255 10.769 -3.043 1.00 0.00 N ATOM 435 CE2 TRP A 703 -1.230 10.554 -2.094 1.00 0.00 C ATOM 436 CE3 TRP A 703 -3.610 10.109 -2.131 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -1.226 10.553 -0.695 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -3.630 10.160 -0.730 1.00 0.00 C ATOM 439 CH2 TRP A 703 -2.443 10.396 -0.018 1.00 0.00 C ATOM 0 H TRP A 703 -3.358 12.664 -5.272 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.739 11.014 -6.927 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -4.063 10.521 -5.038 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -3.074 9.253 -5.734 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.209 10.839 -5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.724 10.958 -2.830 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.523 9.899 -2.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -0.303 10.671 -0.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -4.559 10.018 -0.198 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -2.468 10.457 1.060 1.00 0.00 H new ATOM 450 N LYS A 704 -4.729 11.532 -8.099 1.00 0.00 N ATOM 451 CA LYS A 704 -5.502 11.357 -9.326 1.00 0.00 C ATOM 452 C LYS A 704 -4.919 12.135 -10.510 1.00 0.00 C ATOM 453 O LYS A 704 -5.093 11.662 -11.635 1.00 0.00 O ATOM 454 CB LYS A 704 -6.968 11.751 -9.057 1.00 0.00 C ATOM 455 CG LYS A 704 -7.978 11.553 -10.204 1.00 0.00 C ATOM 456 CD LYS A 704 -8.434 10.102 -10.457 1.00 0.00 C ATOM 457 CE LYS A 704 -7.379 9.117 -10.984 1.00 0.00 C ATOM 458 NZ LYS A 704 -6.751 9.550 -12.252 1.00 0.00 N ATOM 0 H LYS A 704 -5.117 12.226 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 704 -5.453 10.307 -9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -7.318 11.179 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -6.987 12.802 -8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.859 12.159 -9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -7.536 11.940 -11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -8.831 9.705 -9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -9.259 10.126 -11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -6.604 8.988 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -7.845 8.143 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -6.088 8.819 -12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -7.487 9.696 -12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -6.236 10.440 -12.098 1.00 0.00 H new ATOM 472 N ARG A 705 -4.299 13.308 -10.326 1.00 0.00 N ATOM 473 CA ARG A 705 -3.744 14.079 -11.450 1.00 0.00 C ATOM 474 C ARG A 705 -2.371 13.568 -11.849 1.00 0.00 C ATOM 475 O ARG A 705 -2.000 13.693 -13.013 1.00 0.00 O ATOM 476 CB ARG A 705 -3.726 15.597 -11.179 1.00 0.00 C ATOM 477 CG ARG A 705 -2.838 16.114 -10.041 1.00 0.00 C ATOM 478 CD ARG A 705 -3.319 17.491 -9.544 1.00 0.00 C ATOM 479 NE ARG A 705 -2.634 17.918 -8.309 1.00 0.00 N ATOM 480 CZ ARG A 705 -3.190 18.518 -7.239 1.00 0.00 C ATOM 481 NH1 ARG A 705 -4.486 18.804 -7.224 1.00 0.00 N ATOM 482 NH2 ARG A 705 -2.458 18.823 -6.180 1.00 0.00 N ATOM 0 H ARG A 705 -4.169 13.744 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 705 -4.416 13.924 -12.294 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -3.417 16.097 -12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -4.749 15.912 -10.974 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -2.848 15.402 -9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -1.807 16.188 -10.385 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -3.151 18.234 -10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -4.394 17.454 -9.365 1.00 0.00 H new ATOM 0 HE ARG A 705 -1.631 17.740 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -5.069 18.569 -8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 705 -4.899 19.258 -6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 705 -1.462 18.604 -6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 705 -2.890 19.277 -5.375 1.00 0.00 H new ATOM 496 N THR A 706 -1.632 12.980 -10.915 1.00 0.00 N ATOM 497 CA THR A 706 -0.344 12.381 -11.201 1.00 0.00 C ATOM 498 C THR A 706 -0.544 10.937 -11.660 1.00 0.00 C ATOM 499 O THR A 706 -1.538 10.290 -11.312 1.00 0.00 O ATOM 500 CB THR A 706 0.551 12.479 -9.951 1.00 0.00 C ATOM 501 OG1 THR A 706 -0.082 11.997 -8.778 1.00 0.00 O ATOM 502 CG2 THR A 706 0.976 13.935 -9.732 1.00 0.00 C ATOM 0 H THR A 706 -1.914 12.908 -9.938 1.00 0.00 H new ATOM 0 HA THR A 706 0.156 12.915 -12.009 1.00 0.00 H new ATOM 0 HB THR A 706 1.419 11.847 -10.135 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.701 12.676 -8.438 1.00 0.00 H new ATOM 0 HG21 THR A 706 1.609 14.000 -8.847 1.00 0.00 H new ATOM 0 HG22 THR A 706 1.531 14.287 -10.602 1.00 0.00 H new ATOM 0 HG23 THR A 706 0.091 14.555 -9.591 1.00 0.00 H new ATOM 510 N GLY A 707 0.419 10.421 -12.421 1.00 0.00 N ATOM 511 CA GLY A 707 0.506 9.002 -12.748 1.00 0.00 C ATOM 512 C GLY A 707 0.695 8.246 -11.445 1.00 0.00 C ATOM 513 O GLY A 707 1.541 8.693 -10.646 1.00 0.00 O ATOM 514 OXT GLY A 707 -0.149 7.384 -11.112 1.00 0.00 O ATOM 0 H GLY A 707 1.166 10.982 -12.831 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -0.399 8.669 -13.257 1.00 0.00 H new ATOM 0 HA3 GLY A 707 1.340 8.815 -13.425 1.00 0.00 H new TER 518 GLY A 707