USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 656 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.035 (180deg=-0.144) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -50:sc= 0.537 USER MOD Single : A 8 ASN : amide:sc= -0.917 K(o=-0.92,f=-2.6) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.259) USER MOD Single : A 25 THR OG1 : rot -69:sc= 0.291 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 0.493 (180deg=0.281) USER MOD Single : A 32 LYS NZ :NH3+ -118:sc= -0.0742 (180deg=-0.69) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.742 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -169:sc= 1.19 USER MOD Single : A 49 MET CE :methyl 154:sc= -0.193 (180deg=-1.16) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.259 K(o=0.26,f=-3.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= -0.0197 (180deg=-0.155) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 78 GLN : amide:sc= -0.076 K(o=-0.076,f=-4.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.894 -0.984 27.484 1.00 0.00 N ATOM 2 CA MET A 1 -26.283 0.014 26.560 1.00 0.00 C ATOM 3 C MET A 1 -25.472 1.041 27.355 1.00 0.00 C ATOM 4 O MET A 1 -24.483 1.567 26.881 1.00 0.00 O ATOM 5 CB MET A 1 -27.467 0.687 25.863 1.00 0.00 C ATOM 6 CG MET A 1 -27.914 -0.167 24.676 1.00 0.00 C ATOM 7 SD MET A 1 -29.717 -0.106 24.533 1.00 0.00 S ATOM 8 CE MET A 1 -29.792 0.534 22.842 1.00 0.00 C ATOM 0 H1 MET A 1 -27.297 -1.767 26.931 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.165 -1.353 28.127 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.646 -0.528 28.039 1.00 0.00 H new ATOM 0 HA MET A 1 -25.600 -0.447 25.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.292 0.813 26.565 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.184 1.683 25.522 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.453 0.198 23.758 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.584 -1.197 24.811 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.834 0.651 22.543 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.291 1.501 22.796 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.297 -0.164 22.167 1.00 0.00 H new ATOM 20 N LYS A 2 -25.883 1.330 28.560 1.00 0.00 N ATOM 21 CA LYS A 2 -25.137 2.321 29.387 1.00 0.00 C ATOM 22 C LYS A 2 -23.787 1.741 29.821 1.00 0.00 C ATOM 23 O LYS A 2 -23.521 1.575 30.994 1.00 0.00 O ATOM 24 CB LYS A 2 -26.029 2.570 30.603 1.00 0.00 C ATOM 25 CG LYS A 2 -25.651 3.902 31.252 1.00 0.00 C ATOM 26 CD LYS A 2 -26.916 4.730 31.494 1.00 0.00 C ATOM 27 CE LYS A 2 -27.313 4.637 32.970 1.00 0.00 C ATOM 28 NZ LYS A 2 -28.095 5.877 33.236 1.00 0.00 N ATOM 0 H LYS A 2 -26.704 0.922 29.008 1.00 0.00 H new ATOM 0 HA LYS A 2 -24.925 3.240 28.840 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -27.076 2.585 30.301 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -25.916 1.759 31.322 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -25.133 3.725 32.195 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -24.963 4.450 30.608 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -26.741 5.770 31.218 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -27.728 4.366 30.864 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -27.909 3.745 33.163 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -26.434 4.579 33.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -28.403 5.887 34.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -27.500 6.709 33.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -28.929 5.902 32.615 1.00 0.00 H new ATOM 42 N LEU A 3 -22.934 1.431 28.883 1.00 0.00 N ATOM 43 CA LEU A 3 -21.604 0.861 29.242 1.00 0.00 C ATOM 44 C LEU A 3 -20.607 1.081 28.100 1.00 0.00 C ATOM 45 O LEU A 3 -20.967 1.529 27.029 1.00 0.00 O ATOM 46 CB LEU A 3 -21.860 -0.632 29.450 1.00 0.00 C ATOM 47 CG LEU A 3 -20.829 -1.197 30.428 1.00 0.00 C ATOM 48 CD1 LEU A 3 -21.535 -1.653 31.706 1.00 0.00 C ATOM 49 CD2 LEU A 3 -20.117 -2.390 29.785 1.00 0.00 C ATOM 0 H LEU A 3 -23.101 1.548 27.883 1.00 0.00 H new ATOM 0 HA LEU A 3 -21.178 1.331 30.129 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -22.867 -0.788 29.837 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -21.799 -1.158 28.497 1.00 0.00 H new ATOM 0 HG LEU A 3 -20.098 -0.426 30.672 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -20.801 -2.056 32.403 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -22.043 -0.804 32.164 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -22.266 -2.425 31.463 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -19.382 -2.793 30.481 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -20.847 -3.161 29.541 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -19.614 -2.066 28.874 1.00 0.00 H new ATOM 61 N LYS A 4 -19.358 0.771 28.319 1.00 0.00 N ATOM 62 CA LYS A 4 -18.341 0.965 27.244 1.00 0.00 C ATOM 63 C LYS A 4 -17.636 -0.361 26.933 1.00 0.00 C ATOM 64 O LYS A 4 -17.813 -1.345 27.623 1.00 0.00 O ATOM 65 CB LYS A 4 -17.350 1.980 27.816 1.00 0.00 C ATOM 66 CG LYS A 4 -17.318 3.221 26.922 1.00 0.00 C ATOM 67 CD LYS A 4 -17.053 4.460 27.779 1.00 0.00 C ATOM 68 CE LYS A 4 -15.646 4.380 28.376 1.00 0.00 C ATOM 69 NZ LYS A 4 -15.555 5.547 29.299 1.00 0.00 N ATOM 0 H LYS A 4 -18.997 0.392 29.195 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.787 1.311 26.312 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.640 2.256 28.830 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.356 1.538 27.879 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.541 3.117 26.164 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.266 3.327 26.394 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.151 5.361 27.174 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.794 4.529 28.576 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.496 3.441 28.910 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.883 4.430 27.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.617 5.562 29.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.695 6.426 28.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.289 5.468 30.032 1.00 0.00 H new ATOM 83 N VAL A 5 -16.839 -0.393 25.897 1.00 0.00 N ATOM 84 CA VAL A 5 -16.125 -1.656 25.544 1.00 0.00 C ATOM 85 C VAL A 5 -14.611 -1.470 25.682 1.00 0.00 C ATOM 86 O VAL A 5 -13.922 -1.236 24.709 1.00 0.00 O ATOM 87 CB VAL A 5 -16.496 -1.927 24.086 1.00 0.00 C ATOM 88 CG1 VAL A 5 -15.750 -3.171 23.594 1.00 0.00 C ATOM 89 CG2 VAL A 5 -18.003 -2.159 23.973 1.00 0.00 C ATOM 0 H VAL A 5 -16.652 0.399 25.281 1.00 0.00 H new ATOM 0 HA VAL A 5 -16.405 -2.481 26.199 1.00 0.00 H new ATOM 0 HB VAL A 5 -16.217 -1.068 23.476 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -16.013 -3.366 22.554 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.675 -3.005 23.671 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -16.030 -4.029 24.206 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -18.264 -2.352 22.933 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -18.286 -3.017 24.583 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -18.535 -1.274 24.323 1.00 0.00 H new ATOM 99 N THR A 6 -14.099 -1.572 26.887 1.00 0.00 N ATOM 100 CA THR A 6 -12.626 -1.408 27.134 1.00 0.00 C ATOM 101 C THR A 6 -12.021 -0.305 26.251 1.00 0.00 C ATOM 102 O THR A 6 -10.867 -0.360 25.877 1.00 0.00 O ATOM 103 CB THR A 6 -12.002 -2.773 26.814 1.00 0.00 C ATOM 104 OG1 THR A 6 -10.635 -2.767 27.200 1.00 0.00 O ATOM 105 CG2 THR A 6 -12.102 -3.067 25.316 1.00 0.00 C ATOM 0 H THR A 6 -14.648 -1.765 27.725 1.00 0.00 H new ATOM 0 HA THR A 6 -12.431 -1.103 28.162 1.00 0.00 H new ATOM 0 HB THR A 6 -12.542 -3.545 27.363 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.195 -1.972 26.833 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.655 -4.039 25.105 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.150 -3.077 25.016 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.572 -2.295 24.758 1.00 0.00 H new ATOM 113 N VAL A 7 -12.795 0.694 25.918 1.00 0.00 N ATOM 114 CA VAL A 7 -12.269 1.801 25.062 1.00 0.00 C ATOM 115 C VAL A 7 -11.557 1.232 23.828 1.00 0.00 C ATOM 116 O VAL A 7 -10.377 1.443 23.629 1.00 0.00 O ATOM 117 CB VAL A 7 -11.281 2.559 25.954 1.00 0.00 C ATOM 118 CG1 VAL A 7 -10.796 3.816 25.228 1.00 0.00 C ATOM 119 CG2 VAL A 7 -11.972 2.962 27.260 1.00 0.00 C ATOM 0 H VAL A 7 -13.770 0.792 26.201 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.065 2.449 24.694 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.430 1.915 26.177 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.093 4.355 25.863 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.301 3.532 24.299 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.648 4.458 25.004 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -11.267 3.501 27.893 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.824 3.604 27.038 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.317 2.068 27.780 1.00 0.00 H new ATOM 129 N ASN A 8 -12.264 0.510 23.003 1.00 0.00 N ATOM 130 CA ASN A 8 -11.628 -0.075 21.787 1.00 0.00 C ATOM 131 C ASN A 8 -11.705 0.912 20.619 1.00 0.00 C ATOM 132 O ASN A 8 -12.104 2.049 20.779 1.00 0.00 O ATOM 133 CB ASN A 8 -12.441 -1.333 21.480 1.00 0.00 C ATOM 134 CG ASN A 8 -11.614 -2.572 21.830 1.00 0.00 C ATOM 135 OD1 ASN A 8 -12.093 -3.470 22.493 1.00 0.00 O ATOM 136 ND2 ASN A 8 -10.382 -2.658 21.408 1.00 0.00 N ATOM 0 H ASN A 8 -13.255 0.299 23.118 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.573 -0.299 21.942 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.369 -1.328 22.052 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.717 -1.353 20.426 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.821 -3.479 21.635 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.980 -1.904 20.851 1.00 0.00 H new ATOM 143 N GLY A 9 -11.325 0.486 19.445 1.00 0.00 N ATOM 144 CA GLY A 9 -11.374 1.399 18.267 1.00 0.00 C ATOM 145 C GLY A 9 -10.023 2.095 18.104 1.00 0.00 C ATOM 146 O GLY A 9 -8.980 1.488 18.250 1.00 0.00 O ATOM 0 H GLY A 9 -10.983 -0.455 19.251 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.615 0.835 17.366 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.163 2.139 18.400 1.00 0.00 H new ATOM 150 N ALA A 10 -10.031 3.366 17.805 1.00 0.00 N ATOM 151 CA ALA A 10 -8.744 4.103 17.637 1.00 0.00 C ATOM 152 C ALA A 10 -7.850 3.390 16.618 1.00 0.00 C ATOM 153 O ALA A 10 -8.241 2.415 16.007 1.00 0.00 O ATOM 154 CB ALA A 10 -8.096 4.087 19.022 1.00 0.00 C ATOM 0 H ALA A 10 -10.872 3.926 17.670 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.896 5.117 17.268 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.141 4.611 18.983 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.753 4.582 19.737 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.931 3.056 19.335 1.00 0.00 H new ATOM 160 N GLY A 11 -6.651 3.872 16.431 1.00 0.00 N ATOM 161 CA GLY A 11 -5.729 3.225 15.454 1.00 0.00 C ATOM 162 C GLY A 11 -4.322 3.153 16.050 1.00 0.00 C ATOM 163 O GLY A 11 -4.041 3.744 17.073 1.00 0.00 O ATOM 0 H GLY A 11 -6.270 4.686 16.913 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.084 2.224 15.211 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.712 3.792 14.523 1.00 0.00 H new ATOM 167 N LYS A 12 -3.435 2.433 15.419 1.00 0.00 N ATOM 168 CA LYS A 12 -2.047 2.326 15.956 1.00 0.00 C ATOM 169 C LYS A 12 -1.053 2.091 14.816 1.00 0.00 C ATOM 170 O LYS A 12 -1.330 1.374 13.875 1.00 0.00 O ATOM 171 CB LYS A 12 -2.076 1.121 16.895 1.00 0.00 C ATOM 172 CG LYS A 12 -0.957 1.255 17.930 1.00 0.00 C ATOM 173 CD LYS A 12 -0.662 -0.114 18.544 1.00 0.00 C ATOM 174 CE LYS A 12 0.082 0.070 19.869 1.00 0.00 C ATOM 175 NZ LYS A 12 1.424 0.586 19.485 1.00 0.00 N ATOM 0 H LYS A 12 -3.610 1.915 14.558 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.734 3.236 16.468 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.043 1.059 17.395 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.951 0.200 16.326 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.059 1.656 17.460 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.250 1.959 18.709 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.592 -0.658 18.709 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.061 -0.711 17.857 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.439 0.771 20.521 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.161 -0.872 20.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.069 0.515 20.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.799 0.023 18.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.343 1.581 19.194 1.00 0.00 H new ATOM 189 N ALA A 13 0.104 2.691 14.892 1.00 0.00 N ATOM 190 CA ALA A 13 1.115 2.500 13.813 1.00 0.00 C ATOM 191 C ALA A 13 2.349 1.781 14.365 1.00 0.00 C ATOM 192 O ALA A 13 2.494 1.609 15.560 1.00 0.00 O ATOM 193 CB ALA A 13 1.481 3.912 13.355 1.00 0.00 C ATOM 0 H ALA A 13 0.393 3.305 15.654 1.00 0.00 H new ATOM 0 HA ALA A 13 0.732 1.892 12.994 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.223 3.855 12.559 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.589 4.417 12.984 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.892 4.472 14.195 1.00 0.00 H new ATOM 199 N GLY A 14 3.235 1.359 13.507 1.00 0.00 N ATOM 200 CA GLY A 14 4.457 0.651 13.985 1.00 0.00 C ATOM 201 C GLY A 14 5.700 1.420 13.539 1.00 0.00 C ATOM 202 O GLY A 14 5.845 2.596 13.804 1.00 0.00 O ATOM 0 H GLY A 14 3.167 1.473 12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.439 0.566 15.072 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.482 -0.363 13.587 1.00 0.00 H new ATOM 206 N GLU A 15 6.600 0.762 12.861 1.00 0.00 N ATOM 207 CA GLU A 15 7.836 1.453 12.396 1.00 0.00 C ATOM 208 C GLU A 15 8.052 1.198 10.903 1.00 0.00 C ATOM 209 O GLU A 15 8.585 0.179 10.508 1.00 0.00 O ATOM 210 CB GLU A 15 8.967 0.833 13.215 1.00 0.00 C ATOM 211 CG GLU A 15 10.153 1.799 13.260 1.00 0.00 C ATOM 212 CD GLU A 15 10.226 2.453 14.641 1.00 0.00 C ATOM 213 OE1 GLU A 15 9.187 2.595 15.264 1.00 0.00 O ATOM 214 OE2 GLU A 15 11.321 2.802 15.052 1.00 0.00 O ATOM 0 H GLU A 15 6.533 -0.224 12.609 1.00 0.00 H new ATOM 0 HA GLU A 15 7.782 2.533 12.529 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.622 0.617 14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.273 -0.115 12.773 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.079 1.264 13.050 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.043 2.562 12.490 1.00 0.00 H new ATOM 221 N GLY A 16 7.640 2.113 10.070 1.00 0.00 N ATOM 222 CA GLY A 16 7.818 1.919 8.605 1.00 0.00 C ATOM 223 C GLY A 16 6.467 1.588 7.972 1.00 0.00 C ATOM 224 O GLY A 16 6.347 0.672 7.182 1.00 0.00 O ATOM 0 H GLY A 16 7.188 2.986 10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.232 2.821 8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.528 1.114 8.417 1.00 0.00 H new ATOM 228 N GLU A 17 5.448 2.328 8.312 1.00 0.00 N ATOM 229 CA GLU A 17 4.100 2.056 7.728 1.00 0.00 C ATOM 230 C GLU A 17 3.615 3.265 6.922 1.00 0.00 C ATOM 231 O GLU A 17 4.252 4.299 6.894 1.00 0.00 O ATOM 232 CB GLU A 17 3.159 1.777 8.918 1.00 0.00 C ATOM 233 CG GLU A 17 3.444 2.728 10.093 1.00 0.00 C ATOM 234 CD GLU A 17 3.253 4.181 9.649 1.00 0.00 C ATOM 235 OE1 GLU A 17 2.151 4.517 9.249 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.213 4.930 9.717 1.00 0.00 O ATOM 0 H GLU A 17 5.488 3.108 8.968 1.00 0.00 H new ATOM 0 HA GLU A 17 4.126 1.207 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.123 1.890 8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.280 0.745 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.776 2.502 10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.462 2.580 10.453 1.00 0.00 H new ATOM 243 N ILE A 18 2.494 3.144 6.262 1.00 0.00 N ATOM 244 CA ILE A 18 1.977 4.292 5.457 1.00 0.00 C ATOM 245 C ILE A 18 0.751 4.909 6.142 1.00 0.00 C ATOM 246 O ILE A 18 -0.342 4.391 6.028 1.00 0.00 O ATOM 247 CB ILE A 18 1.580 3.706 4.094 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.677 2.767 3.565 1.00 0.00 C ATOM 249 CG2 ILE A 18 1.374 4.846 3.095 1.00 0.00 C ATOM 250 CD1 ILE A 18 4.036 3.468 3.608 1.00 0.00 C ATOM 0 H ILE A 18 1.915 2.304 6.244 1.00 0.00 H new ATOM 0 HA ILE A 18 2.725 5.078 5.354 1.00 0.00 H new ATOM 0 HB ILE A 18 0.658 3.137 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.709 1.858 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.447 2.466 2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.092 4.434 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.583 5.505 3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.300 5.412 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.805 2.794 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.003 4.364 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.269 3.747 4.636 1.00 0.00 H new ATOM 262 N PRO A 19 0.968 6.001 6.832 1.00 0.00 N ATOM 263 CA PRO A 19 -0.146 6.683 7.535 1.00 0.00 C ATOM 264 C PRO A 19 -1.058 7.394 6.530 1.00 0.00 C ATOM 265 O PRO A 19 -0.620 7.846 5.491 1.00 0.00 O ATOM 266 CB PRO A 19 0.562 7.691 8.437 1.00 0.00 C ATOM 267 CG PRO A 19 1.877 7.948 7.775 1.00 0.00 C ATOM 268 CD PRO A 19 2.249 6.696 7.025 1.00 0.00 C ATOM 0 HA PRO A 19 -0.785 5.997 8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.017 8.609 8.533 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.698 7.293 9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.806 8.797 7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.639 8.194 8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.724 6.928 6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.952 6.086 7.592 1.00 0.00 H new ATOM 276 N ALA A 20 -2.324 7.496 6.832 1.00 0.00 N ATOM 277 CA ALA A 20 -3.264 8.177 5.895 1.00 0.00 C ATOM 278 C ALA A 20 -3.200 9.699 6.094 1.00 0.00 C ATOM 279 O ALA A 20 -3.540 10.193 7.151 1.00 0.00 O ATOM 280 CB ALA A 20 -4.647 7.647 6.272 1.00 0.00 C ATOM 0 H ALA A 20 -2.748 7.137 7.687 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.022 7.982 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.399 8.101 5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.668 6.564 6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.862 7.897 7.311 1.00 0.00 H new ATOM 286 N PRO A 21 -2.764 10.401 5.074 1.00 0.00 N ATOM 287 CA PRO A 21 -2.663 11.880 5.165 1.00 0.00 C ATOM 288 C PRO A 21 -4.053 12.529 5.150 1.00 0.00 C ATOM 289 O PRO A 21 -4.191 13.718 5.360 1.00 0.00 O ATOM 290 CB PRO A 21 -1.870 12.265 3.920 1.00 0.00 C ATOM 291 CG PRO A 21 -2.108 11.152 2.950 1.00 0.00 C ATOM 292 CD PRO A 21 -2.332 9.902 3.760 1.00 0.00 C ATOM 0 HA PRO A 21 -2.190 12.214 6.089 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.208 13.219 3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.809 12.372 4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.974 11.365 2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.254 11.032 2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.090 9.263 3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.421 9.309 3.838 1.00 0.00 H new ATOM 300 N LEU A 22 -5.084 11.765 4.904 1.00 0.00 N ATOM 301 CA LEU A 22 -6.456 12.354 4.878 1.00 0.00 C ATOM 302 C LEU A 22 -7.490 11.311 5.313 1.00 0.00 C ATOM 303 O LEU A 22 -7.559 10.228 4.768 1.00 0.00 O ATOM 304 CB LEU A 22 -6.686 12.762 3.423 1.00 0.00 C ATOM 305 CG LEU A 22 -7.801 13.806 3.358 1.00 0.00 C ATOM 306 CD1 LEU A 22 -7.391 15.041 4.163 1.00 0.00 C ATOM 307 CD2 LEU A 22 -8.044 14.206 1.900 1.00 0.00 C ATOM 0 H LEU A 22 -5.037 10.763 4.721 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.554 13.200 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.768 13.168 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.955 11.890 2.827 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.716 13.386 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.186 15.786 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.219 14.758 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.476 15.461 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.839 14.950 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.130 14.626 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.337 13.327 1.326 1.00 0.00 H new ATOM 319 N ALA A 23 -8.295 11.632 6.289 1.00 0.00 N ATOM 320 CA ALA A 23 -9.326 10.660 6.756 1.00 0.00 C ATOM 321 C ALA A 23 -10.256 10.284 5.601 1.00 0.00 C ATOM 322 O ALA A 23 -10.125 10.781 4.501 1.00 0.00 O ATOM 323 CB ALA A 23 -10.099 11.399 7.847 1.00 0.00 C ATOM 0 H ALA A 23 -8.284 12.524 6.783 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.886 9.734 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.879 10.749 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.417 11.679 8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.553 12.296 7.427 1.00 0.00 H new ATOM 329 N GLY A 24 -11.197 9.412 5.841 1.00 0.00 N ATOM 330 CA GLY A 24 -12.133 9.013 4.747 1.00 0.00 C ATOM 331 C GLY A 24 -12.628 7.583 4.975 1.00 0.00 C ATOM 332 O GLY A 24 -12.748 7.124 6.095 1.00 0.00 O ATOM 0 H GLY A 24 -11.359 8.960 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.980 9.698 4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.629 9.082 3.783 1.00 0.00 H new ATOM 336 N THR A 25 -12.917 6.873 3.917 1.00 0.00 N ATOM 337 CA THR A 25 -13.405 5.470 4.063 1.00 0.00 C ATOM 338 C THR A 25 -12.730 4.564 3.026 1.00 0.00 C ATOM 339 O THR A 25 -13.121 4.528 1.877 1.00 0.00 O ATOM 340 CB THR A 25 -14.911 5.543 3.804 1.00 0.00 C ATOM 341 OG1 THR A 25 -15.148 6.226 2.581 1.00 0.00 O ATOM 342 CG2 THR A 25 -15.594 6.290 4.951 1.00 0.00 C ATOM 0 H THR A 25 -12.836 7.205 2.956 1.00 0.00 H new ATOM 0 HA THR A 25 -13.179 5.056 5.046 1.00 0.00 H new ATOM 0 HB THR A 25 -15.318 4.534 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.907 7.171 2.682 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.667 6.341 4.764 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.413 5.762 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 25 -15.189 7.300 5.020 1.00 0.00 H new ATOM 350 N VAL A 26 -11.720 3.827 3.419 1.00 0.00 N ATOM 351 CA VAL A 26 -11.031 2.927 2.443 1.00 0.00 C ATOM 352 C VAL A 26 -12.058 2.068 1.695 1.00 0.00 C ATOM 353 O VAL A 26 -12.543 1.079 2.205 1.00 0.00 O ATOM 354 CB VAL A 26 -10.117 2.043 3.294 1.00 0.00 C ATOM 355 CG1 VAL A 26 -9.339 1.088 2.385 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.133 2.918 4.070 1.00 0.00 C ATOM 0 H VAL A 26 -11.345 3.809 4.367 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.475 3.486 1.691 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.722 1.468 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.688 0.458 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.039 0.461 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.736 1.664 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.483 2.286 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.529 3.495 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.685 3.598 4.719 1.00 0.00 H new ATOM 366 N SER A 27 -12.392 2.440 0.490 1.00 0.00 N ATOM 367 CA SER A 27 -13.387 1.643 -0.286 1.00 0.00 C ATOM 368 C SER A 27 -12.914 0.192 -0.427 1.00 0.00 C ATOM 369 O SER A 27 -13.690 -0.736 -0.315 1.00 0.00 O ATOM 370 CB SER A 27 -13.457 2.318 -1.655 1.00 0.00 C ATOM 371 OG SER A 27 -14.733 2.074 -2.233 1.00 0.00 O ATOM 0 H SER A 27 -12.021 3.259 0.009 1.00 0.00 H new ATOM 0 HA SER A 27 -14.360 1.613 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.290 3.390 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.671 1.933 -2.304 1.00 0.00 H new ATOM 0 HG SER A 27 -14.783 2.507 -3.111 1.00 0.00 H new ATOM 377 N LYS A 28 -11.648 -0.010 -0.673 1.00 0.00 N ATOM 378 CA LYS A 28 -11.133 -1.402 -0.822 1.00 0.00 C ATOM 379 C LYS A 28 -9.606 -1.392 -0.934 1.00 0.00 C ATOM 380 O LYS A 28 -9.008 -0.405 -1.314 1.00 0.00 O ATOM 381 CB LYS A 28 -11.761 -1.922 -2.116 1.00 0.00 C ATOM 382 CG LYS A 28 -11.400 -3.398 -2.301 1.00 0.00 C ATOM 383 CD LYS A 28 -12.587 -4.142 -2.916 1.00 0.00 C ATOM 384 CE LYS A 28 -12.649 -5.562 -2.350 1.00 0.00 C ATOM 385 NZ LYS A 28 -13.520 -5.458 -1.145 1.00 0.00 N ATOM 0 H LYS A 28 -10.950 0.726 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.385 -2.028 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.844 -1.803 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.404 -1.340 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.526 -3.491 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.137 -3.842 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.514 -3.612 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.486 -4.176 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.064 -6.259 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.656 -5.927 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.887 -6.400 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.967 -5.084 -0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.315 -4.818 -1.345 1.00 0.00 H new ATOM 399 N ILE A 29 -8.972 -2.484 -0.606 1.00 0.00 N ATOM 400 CA ILE A 29 -7.484 -2.536 -0.693 1.00 0.00 C ATOM 401 C ILE A 29 -7.050 -3.166 -2.019 1.00 0.00 C ATOM 402 O ILE A 29 -7.595 -4.161 -2.455 1.00 0.00 O ATOM 403 CB ILE A 29 -7.049 -3.408 0.485 1.00 0.00 C ATOM 404 CG1 ILE A 29 -5.523 -3.507 0.509 1.00 0.00 C ATOM 405 CG2 ILE A 29 -7.646 -4.809 0.335 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.038 -3.580 1.959 1.00 0.00 C ATOM 0 H ILE A 29 -9.419 -3.342 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.034 -1.544 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.401 -2.961 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.197 -4.391 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.084 -2.643 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.335 -5.429 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.734 -4.741 0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.295 -5.256 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.950 -3.651 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.352 -2.683 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.466 -4.458 2.442 1.00 0.00 H new ATOM 418 N LEU A 30 -6.071 -2.593 -2.665 1.00 0.00 N ATOM 419 CA LEU A 30 -5.600 -3.156 -3.963 1.00 0.00 C ATOM 420 C LEU A 30 -4.285 -3.915 -3.760 1.00 0.00 C ATOM 421 O LEU A 30 -3.957 -4.816 -4.507 1.00 0.00 O ATOM 422 CB LEU A 30 -5.387 -1.940 -4.866 1.00 0.00 C ATOM 423 CG LEU A 30 -6.493 -1.881 -5.922 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.425 -3.129 -6.804 1.00 0.00 C ATOM 425 CD2 LEU A 30 -7.858 -1.817 -5.232 1.00 0.00 C ATOM 0 H LEU A 30 -5.576 -1.758 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.311 -3.862 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.391 -1.027 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.412 -2.001 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.357 -0.993 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.213 -3.086 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.454 -3.173 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.559 -4.018 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.645 -1.775 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.995 -2.704 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.908 -0.926 -4.605 1.00 0.00 H new ATOM 437 N VAL A 31 -3.533 -3.560 -2.754 1.00 0.00 N ATOM 438 CA VAL A 31 -2.242 -4.262 -2.504 1.00 0.00 C ATOM 439 C VAL A 31 -2.473 -5.499 -1.632 1.00 0.00 C ATOM 440 O VAL A 31 -3.417 -5.565 -0.869 1.00 0.00 O ATOM 441 CB VAL A 31 -1.372 -3.244 -1.766 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.053 -2.848 -0.454 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.007 -3.864 -1.464 1.00 0.00 C ATOM 0 H VAL A 31 -3.757 -2.815 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.775 -4.605 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.240 -2.359 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.433 -2.122 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.026 -2.407 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.185 -3.733 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.614 -3.139 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.139 -4.748 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.479 -4.147 -2.398 1.00 0.00 H new ATOM 453 N LYS A 32 -1.619 -6.480 -1.738 1.00 0.00 N ATOM 454 CA LYS A 32 -1.790 -7.710 -0.914 1.00 0.00 C ATOM 455 C LYS A 32 -0.533 -7.966 -0.079 1.00 0.00 C ATOM 456 O LYS A 32 0.566 -7.633 -0.476 1.00 0.00 O ATOM 457 CB LYS A 32 -2.001 -8.839 -1.923 1.00 0.00 C ATOM 458 CG LYS A 32 -2.875 -9.928 -1.297 1.00 0.00 C ATOM 459 CD LYS A 32 -4.309 -9.785 -1.809 1.00 0.00 C ATOM 460 CE LYS A 32 -5.257 -10.591 -0.916 1.00 0.00 C ATOM 461 NZ LYS A 32 -5.366 -9.800 0.341 1.00 0.00 N ATOM 0 H LYS A 32 -0.810 -6.483 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.624 -7.626 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.475 -8.451 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.040 -9.257 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.484 -10.914 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.855 -9.846 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.601 -8.735 -1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.375 -10.138 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.231 -10.719 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.864 -11.589 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.002 -10.361 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.810 -8.926 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.363 -9.559 0.514 1.00 0.00 H new ATOM 475 N GLU A 33 -0.683 -8.553 1.075 1.00 0.00 N ATOM 476 CA GLU A 33 0.505 -8.828 1.933 1.00 0.00 C ATOM 477 C GLU A 33 1.370 -9.924 1.303 1.00 0.00 C ATOM 478 O GLU A 33 0.872 -10.925 0.830 1.00 0.00 O ATOM 479 CB GLU A 33 -0.071 -9.300 3.268 1.00 0.00 C ATOM 480 CG GLU A 33 0.891 -8.931 4.399 1.00 0.00 C ATOM 481 CD GLU A 33 0.483 -9.667 5.676 1.00 0.00 C ATOM 482 OE1 GLU A 33 -0.695 -9.949 5.822 1.00 0.00 O ATOM 483 OE2 GLU A 33 1.354 -9.935 6.486 1.00 0.00 O ATOM 0 H GLU A 33 -1.577 -8.855 1.462 1.00 0.00 H new ATOM 0 HA GLU A 33 1.141 -7.951 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.044 -8.839 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.228 -10.378 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.912 -9.197 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.876 -7.854 4.567 1.00 0.00 H new ATOM 490 N GLY A 34 2.662 -9.741 1.295 1.00 0.00 N ATOM 491 CA GLY A 34 3.557 -10.771 0.697 1.00 0.00 C ATOM 492 C GLY A 34 3.577 -10.608 -0.825 1.00 0.00 C ATOM 493 O GLY A 34 3.855 -11.539 -1.555 1.00 0.00 O ATOM 0 H GLY A 34 3.136 -8.923 1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.566 -10.669 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.208 -11.769 0.962 1.00 0.00 H new ATOM 497 N ASP A 35 3.283 -9.432 -1.307 1.00 0.00 N ATOM 498 CA ASP A 35 3.284 -9.210 -2.783 1.00 0.00 C ATOM 499 C ASP A 35 4.160 -8.005 -3.135 1.00 0.00 C ATOM 500 O ASP A 35 4.205 -7.026 -2.418 1.00 0.00 O ATOM 501 CB ASP A 35 1.824 -8.934 -3.144 1.00 0.00 C ATOM 502 CG ASP A 35 1.267 -10.106 -3.954 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.982 -10.602 -4.809 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.135 -10.488 -3.705 1.00 0.00 O ATOM 0 H ASP A 35 3.042 -8.616 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 35 3.684 -10.065 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.235 -8.792 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.749 -8.012 -3.720 1.00 0.00 H new ATOM 509 N THR A 36 4.856 -8.070 -4.237 1.00 0.00 N ATOM 510 CA THR A 36 5.727 -6.928 -4.638 1.00 0.00 C ATOM 511 C THR A 36 4.912 -5.891 -5.415 1.00 0.00 C ATOM 512 O THR A 36 4.398 -6.165 -6.481 1.00 0.00 O ATOM 513 CB THR A 36 6.800 -7.547 -5.534 1.00 0.00 C ATOM 514 OG1 THR A 36 7.578 -8.463 -4.775 1.00 0.00 O ATOM 515 CG2 THR A 36 7.703 -6.445 -6.089 1.00 0.00 C ATOM 0 H THR A 36 4.859 -8.864 -4.877 1.00 0.00 H new ATOM 0 HA THR A 36 6.159 -6.414 -3.779 1.00 0.00 H new ATOM 0 HB THR A 36 6.323 -8.073 -6.361 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.265 -8.862 -5.348 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.467 -6.888 -6.727 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.105 -5.744 -6.671 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.181 -5.916 -5.264 1.00 0.00 H new ATOM 523 N VAL A 37 4.789 -4.702 -4.891 1.00 0.00 N ATOM 524 CA VAL A 37 4.004 -3.655 -5.604 1.00 0.00 C ATOM 525 C VAL A 37 4.943 -2.687 -6.330 1.00 0.00 C ATOM 526 O VAL A 37 6.084 -2.512 -5.953 1.00 0.00 O ATOM 527 CB VAL A 37 3.218 -2.931 -4.507 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.185 -2.202 -3.569 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.266 -1.919 -5.147 1.00 0.00 C ATOM 0 H VAL A 37 5.197 -4.411 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 37 3.345 -4.078 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 37 2.645 -3.660 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.620 -1.689 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.861 -2.924 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.763 -1.474 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.706 -1.403 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.840 -1.193 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.573 -2.439 -5.808 1.00 0.00 H new ATOM 539 N LYS A 38 4.468 -2.056 -7.369 1.00 0.00 N ATOM 540 CA LYS A 38 5.331 -1.099 -8.119 1.00 0.00 C ATOM 541 C LYS A 38 4.837 0.335 -7.903 1.00 0.00 C ATOM 542 O LYS A 38 3.655 0.582 -7.774 1.00 0.00 O ATOM 543 CB LYS A 38 5.187 -1.501 -9.586 1.00 0.00 C ATOM 544 CG LYS A 38 6.300 -2.483 -9.960 1.00 0.00 C ATOM 545 CD LYS A 38 7.374 -1.753 -10.769 1.00 0.00 C ATOM 546 CE LYS A 38 7.416 -2.321 -12.190 1.00 0.00 C ATOM 547 NZ LYS A 38 6.755 -1.289 -13.035 1.00 0.00 N ATOM 0 H LYS A 38 3.520 -2.162 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 38 6.369 -1.131 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.212 -1.959 -9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.238 -0.618 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.738 -2.913 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.890 -3.309 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.159 -0.685 -10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.347 -1.869 -10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.441 -2.499 -12.514 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.892 -3.275 -12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.745 -1.606 -14.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.779 -1.145 -12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.279 -0.394 -12.963 1.00 0.00 H new ATOM 561 N ALA A 39 5.735 1.281 -7.861 1.00 0.00 N ATOM 562 CA ALA A 39 5.316 2.696 -7.651 1.00 0.00 C ATOM 563 C ALA A 39 4.289 3.109 -8.710 1.00 0.00 C ATOM 564 O ALA A 39 4.382 2.729 -9.860 1.00 0.00 O ATOM 565 CB ALA A 39 6.599 3.513 -7.802 1.00 0.00 C ATOM 0 H ALA A 39 6.739 1.136 -7.963 1.00 0.00 H new ATOM 0 HA ALA A 39 4.846 2.848 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.376 4.571 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.325 3.193 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.013 3.359 -8.799 1.00 0.00 H new ATOM 571 N GLY A 40 3.312 3.886 -8.331 1.00 0.00 N ATOM 572 CA GLY A 40 2.283 4.326 -9.316 1.00 0.00 C ATOM 573 C GLY A 40 1.044 3.436 -9.204 1.00 0.00 C ATOM 574 O GLY A 40 -0.071 3.883 -9.384 1.00 0.00 O ATOM 0 H GLY A 40 3.181 4.236 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.013 5.366 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.688 4.275 -10.327 1.00 0.00 H new ATOM 578 N GLN A 41 1.228 2.177 -8.913 1.00 0.00 N ATOM 579 CA GLN A 41 0.058 1.259 -8.794 1.00 0.00 C ATOM 580 C GLN A 41 -0.808 1.652 -7.595 1.00 0.00 C ATOM 581 O GLN A 41 -0.340 1.715 -6.475 1.00 0.00 O ATOM 582 CB GLN A 41 0.666 -0.127 -8.583 1.00 0.00 C ATOM 583 CG GLN A 41 -0.152 -1.168 -9.349 1.00 0.00 C ATOM 584 CD GLN A 41 -0.010 -2.530 -8.669 1.00 0.00 C ATOM 585 OE1 GLN A 41 -0.621 -2.781 -7.649 1.00 0.00 O ATOM 586 NE2 GLN A 41 0.778 -3.428 -9.194 1.00 0.00 N ATOM 0 H GLN A 41 2.137 1.744 -8.752 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.585 1.295 -9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.700 -0.138 -8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.681 -0.371 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.201 -0.872 -9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.191 -1.228 -10.382 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.291 -3.218 -10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.881 -4.340 -8.748 1.00 0.00 H new ATOM 595 N THR A 42 -2.068 1.912 -7.818 1.00 0.00 N ATOM 596 CA THR A 42 -2.957 2.295 -6.684 1.00 0.00 C ATOM 597 C THR A 42 -2.940 1.200 -5.613 1.00 0.00 C ATOM 598 O THR A 42 -3.581 0.176 -5.744 1.00 0.00 O ATOM 599 CB THR A 42 -4.352 2.432 -7.300 1.00 0.00 C ATOM 600 OG1 THR A 42 -5.280 2.786 -6.287 1.00 0.00 O ATOM 601 CG2 THR A 42 -4.769 1.106 -7.936 1.00 0.00 C ATOM 0 H THR A 42 -2.519 1.876 -8.732 1.00 0.00 H new ATOM 0 HA THR A 42 -2.639 3.218 -6.199 1.00 0.00 H new ATOM 0 HB THR A 42 -4.335 3.207 -8.067 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.192 2.712 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.762 1.209 -8.373 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.056 0.836 -8.715 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.786 0.327 -7.174 1.00 0.00 H new ATOM 609 N VAL A 43 -2.204 1.405 -4.555 1.00 0.00 N ATOM 610 CA VAL A 43 -2.142 0.373 -3.481 1.00 0.00 C ATOM 611 C VAL A 43 -3.403 0.426 -2.615 1.00 0.00 C ATOM 612 O VAL A 43 -3.709 -0.504 -1.895 1.00 0.00 O ATOM 613 CB VAL A 43 -0.907 0.729 -2.653 1.00 0.00 C ATOM 614 CG1 VAL A 43 0.333 0.691 -3.547 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.072 2.133 -2.064 1.00 0.00 C ATOM 0 H VAL A 43 -1.644 2.241 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.081 -0.636 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.793 0.009 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.214 0.945 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.451 -0.309 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.219 1.411 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.191 2.386 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.187 2.855 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.956 2.158 -1.426 1.00 0.00 H new ATOM 625 N LEU A 44 -4.139 1.502 -2.675 1.00 0.00 N ATOM 626 CA LEU A 44 -5.378 1.595 -1.846 1.00 0.00 C ATOM 627 C LEU A 44 -6.401 2.517 -2.516 1.00 0.00 C ATOM 628 O LEU A 44 -6.056 3.381 -3.295 1.00 0.00 O ATOM 629 CB LEU A 44 -4.921 2.179 -0.509 1.00 0.00 C ATOM 630 CG LEU A 44 -4.841 1.064 0.536 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.128 1.584 1.786 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.254 0.610 0.908 1.00 0.00 C ATOM 0 H LEU A 44 -3.940 2.316 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.862 0.626 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.947 2.656 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.617 2.950 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.285 0.222 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.071 0.789 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.121 1.907 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.683 2.427 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.197 -0.184 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.811 1.453 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.763 0.238 0.019 1.00 0.00 H new ATOM 644 N VAL A 45 -7.659 2.338 -2.216 1.00 0.00 N ATOM 645 CA VAL A 45 -8.705 3.202 -2.834 1.00 0.00 C ATOM 646 C VAL A 45 -9.566 3.846 -1.743 1.00 0.00 C ATOM 647 O VAL A 45 -10.226 3.169 -0.980 1.00 0.00 O ATOM 648 CB VAL A 45 -9.544 2.255 -3.692 1.00 0.00 C ATOM 649 CG1 VAL A 45 -10.633 3.051 -4.415 1.00 0.00 C ATOM 650 CG2 VAL A 45 -8.645 1.571 -4.724 1.00 0.00 C ATOM 0 H VAL A 45 -8.008 1.630 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.278 4.014 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.006 1.501 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.231 2.376 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.274 3.540 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.170 3.805 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.242 0.896 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.183 2.325 -5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.868 1.004 -4.211 1.00 0.00 H new ATOM 660 N LEU A 46 -9.560 5.148 -1.661 1.00 0.00 N ATOM 661 CA LEU A 46 -10.374 5.832 -0.616 1.00 0.00 C ATOM 662 C LEU A 46 -11.652 6.410 -1.227 1.00 0.00 C ATOM 663 O LEU A 46 -11.853 6.369 -2.425 1.00 0.00 O ATOM 664 CB LEU A 46 -9.474 6.948 -0.086 1.00 0.00 C ATOM 665 CG LEU A 46 -8.863 6.521 1.250 1.00 0.00 C ATOM 666 CD1 LEU A 46 -9.981 6.295 2.269 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.075 5.220 1.062 1.00 0.00 C ATOM 0 H LEU A 46 -9.027 5.768 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.688 5.151 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.685 7.166 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.050 7.864 0.042 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.192 7.302 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.549 5.991 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.543 7.219 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.650 5.514 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.640 4.917 2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.744 4.438 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.279 5.379 0.334 1.00 0.00 H new ATOM 679 N GLU A 47 -12.519 6.945 -0.411 1.00 0.00 N ATOM 680 CA GLU A 47 -13.787 7.523 -0.944 1.00 0.00 C ATOM 681 C GLU A 47 -14.370 8.523 0.056 1.00 0.00 C ATOM 682 O GLU A 47 -14.717 8.173 1.167 1.00 0.00 O ATOM 683 CB GLU A 47 -14.722 6.324 -1.114 1.00 0.00 C ATOM 684 CG GLU A 47 -16.013 6.776 -1.801 1.00 0.00 C ATOM 685 CD GLU A 47 -17.208 6.456 -0.902 1.00 0.00 C ATOM 686 OE1 GLU A 47 -17.338 7.097 0.128 1.00 0.00 O ATOM 687 OE2 GLU A 47 -17.974 5.576 -1.258 1.00 0.00 O ATOM 0 H GLU A 47 -12.405 7.007 0.601 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.639 8.061 -1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.234 5.550 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.949 5.886 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.974 7.846 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.122 6.273 -2.762 1.00 0.00 H new ATOM 694 N ALA A 48 -14.479 9.766 -0.326 1.00 0.00 N ATOM 695 CA ALA A 48 -15.035 10.787 0.608 1.00 0.00 C ATOM 696 C ALA A 48 -16.147 11.587 -0.076 1.00 0.00 C ATOM 697 O ALA A 48 -17.319 11.334 0.121 1.00 0.00 O ATOM 698 CB ALA A 48 -13.855 11.694 0.950 1.00 0.00 C ATOM 0 H ALA A 48 -14.207 10.119 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.474 10.335 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.183 12.475 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.068 11.105 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.471 12.150 0.038 1.00 0.00 H new ATOM 704 N MET A 49 -15.789 12.555 -0.876 1.00 0.00 N ATOM 705 CA MET A 49 -16.827 13.373 -1.569 1.00 0.00 C ATOM 706 C MET A 49 -17.266 12.687 -2.866 1.00 0.00 C ATOM 707 O MET A 49 -17.183 13.255 -3.938 1.00 0.00 O ATOM 708 CB MET A 49 -16.144 14.707 -1.873 1.00 0.00 C ATOM 709 CG MET A 49 -17.176 15.835 -1.810 1.00 0.00 C ATOM 710 SD MET A 49 -16.366 17.416 -2.158 1.00 0.00 S ATOM 711 CE MET A 49 -16.009 17.112 -3.906 1.00 0.00 C ATOM 0 H MET A 49 -14.824 12.815 -1.080 1.00 0.00 H new ATOM 0 HA MET A 49 -17.722 13.502 -0.961 1.00 0.00 H new ATOM 0 HB2 MET A 49 -15.345 14.890 -1.155 1.00 0.00 H new ATOM 0 HB3 MET A 49 -15.684 14.675 -2.861 1.00 0.00 H new ATOM 0 HG2 MET A 49 -17.971 15.655 -2.533 1.00 0.00 H new ATOM 0 HG3 MET A 49 -17.641 15.862 -0.825 1.00 0.00 H new ATOM 0 HE1 MET A 49 -15.942 18.063 -4.434 1.00 0.00 H new ATOM 0 HE2 MET A 49 -15.063 16.579 -3.997 1.00 0.00 H new ATOM 0 HE3 MET A 49 -16.807 16.511 -4.341 1.00 0.00 H new ATOM 721 N LYS A 50 -17.733 11.472 -2.778 1.00 0.00 N ATOM 722 CA LYS A 50 -18.177 10.752 -4.008 1.00 0.00 C ATOM 723 C LYS A 50 -17.059 10.758 -5.056 1.00 0.00 C ATOM 724 O LYS A 50 -17.306 10.893 -6.238 1.00 0.00 O ATOM 725 CB LYS A 50 -19.390 11.536 -4.511 1.00 0.00 C ATOM 726 CG LYS A 50 -20.618 10.624 -4.533 1.00 0.00 C ATOM 727 CD LYS A 50 -20.734 9.957 -5.905 1.00 0.00 C ATOM 728 CE LYS A 50 -22.168 10.090 -6.424 1.00 0.00 C ATOM 729 NZ LYS A 50 -22.232 11.450 -7.029 1.00 0.00 N ATOM 0 H LYS A 50 -17.827 10.946 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.421 9.708 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.574 12.395 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.195 11.925 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -20.535 9.866 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -21.517 11.202 -4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.039 10.421 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.459 8.905 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -22.395 9.319 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -22.892 9.982 -5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -23.186 11.617 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.018 12.163 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.536 11.521 -7.799 1.00 0.00 H new ATOM 743 N MET A 51 -15.834 10.613 -4.632 1.00 0.00 N ATOM 744 CA MET A 51 -14.703 10.610 -5.603 1.00 0.00 C ATOM 745 C MET A 51 -13.677 9.542 -5.216 1.00 0.00 C ATOM 746 O MET A 51 -12.928 9.700 -4.274 1.00 0.00 O ATOM 747 CB MET A 51 -14.088 12.007 -5.499 1.00 0.00 C ATOM 748 CG MET A 51 -13.881 12.580 -6.902 1.00 0.00 C ATOM 749 SD MET A 51 -15.411 13.371 -7.462 1.00 0.00 S ATOM 750 CE MET A 51 -14.948 13.560 -9.200 1.00 0.00 C ATOM 0 H MET A 51 -15.567 10.496 -3.655 1.00 0.00 H new ATOM 0 HA MET A 51 -15.030 10.383 -6.618 1.00 0.00 H new ATOM 0 HB2 MET A 51 -14.741 12.661 -4.920 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.136 11.958 -4.971 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.066 13.304 -6.894 1.00 0.00 H new ATOM 0 HG3 MET A 51 -13.595 11.786 -7.592 1.00 0.00 H new ATOM 0 HE1 MET A 51 -15.763 14.037 -9.744 1.00 0.00 H new ATOM 0 HE2 MET A 51 -14.053 14.178 -9.273 1.00 0.00 H new ATOM 0 HE3 MET A 51 -14.748 12.579 -9.632 1.00 0.00 H new ATOM 760 N GLU A 52 -13.639 8.453 -5.936 1.00 0.00 N ATOM 761 CA GLU A 52 -12.661 7.377 -5.606 1.00 0.00 C ATOM 762 C GLU A 52 -11.235 7.931 -5.637 1.00 0.00 C ATOM 763 O GLU A 52 -10.700 8.240 -6.682 1.00 0.00 O ATOM 764 CB GLU A 52 -12.854 6.317 -6.692 1.00 0.00 C ATOM 765 CG GLU A 52 -13.514 5.077 -6.083 1.00 0.00 C ATOM 766 CD GLU A 52 -14.215 4.278 -7.183 1.00 0.00 C ATOM 767 OE1 GLU A 52 -14.692 4.894 -8.123 1.00 0.00 O ATOM 768 OE2 GLU A 52 -14.264 3.065 -7.067 1.00 0.00 O ATOM 0 H GLU A 52 -14.242 8.262 -6.737 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.818 6.967 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.473 6.714 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.892 6.052 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.764 4.458 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.233 5.373 -5.320 1.00 0.00 H new ATOM 775 N THR A 53 -10.617 8.062 -4.494 1.00 0.00 N ATOM 776 CA THR A 53 -9.227 8.599 -4.452 1.00 0.00 C ATOM 777 C THR A 53 -8.211 7.458 -4.568 1.00 0.00 C ATOM 778 O THR A 53 -7.750 6.924 -3.580 1.00 0.00 O ATOM 779 CB THR A 53 -9.113 9.284 -3.088 1.00 0.00 C ATOM 780 OG1 THR A 53 -10.004 10.389 -3.039 1.00 0.00 O ATOM 781 CG2 THR A 53 -7.678 9.773 -2.874 1.00 0.00 C ATOM 0 H THR A 53 -11.016 7.820 -3.587 1.00 0.00 H new ATOM 0 HA THR A 53 -9.024 9.285 -5.274 1.00 0.00 H new ATOM 0 HB THR A 53 -9.371 8.573 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.933 10.828 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.601 10.260 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.995 8.924 -2.910 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.415 10.483 -3.658 1.00 0.00 H new ATOM 789 N GLU A 54 -7.853 7.085 -5.768 1.00 0.00 N ATOM 790 CA GLU A 54 -6.863 5.983 -5.935 1.00 0.00 C ATOM 791 C GLU A 54 -5.534 6.376 -5.287 1.00 0.00 C ATOM 792 O GLU A 54 -5.033 7.464 -5.490 1.00 0.00 O ATOM 793 CB GLU A 54 -6.696 5.820 -7.447 1.00 0.00 C ATOM 794 CG GLU A 54 -7.927 5.122 -8.027 1.00 0.00 C ATOM 795 CD GLU A 54 -7.508 3.803 -8.678 1.00 0.00 C ATOM 796 OE1 GLU A 54 -7.365 2.828 -7.958 1.00 0.00 O ATOM 797 OE2 GLU A 54 -7.339 3.789 -9.886 1.00 0.00 O ATOM 0 H GLU A 54 -8.202 7.494 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.190 5.056 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.564 6.795 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.800 5.238 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.657 4.935 -7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.410 5.765 -8.763 1.00 0.00 H new ATOM 804 N ILE A 55 -4.961 5.503 -4.504 1.00 0.00 N ATOM 805 CA ILE A 55 -3.667 5.839 -3.846 1.00 0.00 C ATOM 806 C ILE A 55 -2.520 5.067 -4.498 1.00 0.00 C ATOM 807 O ILE A 55 -2.296 3.906 -4.212 1.00 0.00 O ATOM 808 CB ILE A 55 -3.836 5.420 -2.385 1.00 0.00 C ATOM 809 CG1 ILE A 55 -5.078 6.109 -1.801 1.00 0.00 C ATOM 810 CG2 ILE A 55 -2.590 5.838 -1.596 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.164 5.848 -0.293 1.00 0.00 C ATOM 0 H ILE A 55 -5.331 4.576 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.426 6.898 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.960 4.339 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.032 7.181 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.976 5.737 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.704 5.542 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.711 5.350 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.468 6.919 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.048 6.341 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.232 4.775 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.273 6.242 0.196 1.00 0.00 H new ATOM 823 N ASN A 56 -1.793 5.711 -5.372 1.00 0.00 N ATOM 824 CA ASN A 56 -0.651 5.038 -6.055 1.00 0.00 C ATOM 825 C ASN A 56 0.497 4.808 -5.071 1.00 0.00 C ATOM 826 O ASN A 56 0.830 5.666 -4.277 1.00 0.00 O ATOM 827 CB ASN A 56 -0.222 6.013 -7.152 1.00 0.00 C ATOM 828 CG ASN A 56 0.198 7.341 -6.520 1.00 0.00 C ATOM 829 OD1 ASN A 56 -0.632 8.088 -6.040 1.00 0.00 O ATOM 830 ND2 ASN A 56 1.461 7.669 -6.499 1.00 0.00 N ATOM 0 H ASN A 56 -1.943 6.683 -5.644 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.927 4.062 -6.454 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.605 5.593 -7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.043 6.174 -7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.752 8.552 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.157 7.042 -6.902 1.00 0.00 H new ATOM 837 N ALA A 57 1.105 3.656 -5.119 1.00 0.00 N ATOM 838 CA ALA A 57 2.236 3.371 -4.188 1.00 0.00 C ATOM 839 C ALA A 57 3.330 4.434 -4.348 1.00 0.00 C ATOM 840 O ALA A 57 3.523 4.961 -5.427 1.00 0.00 O ATOM 841 CB ALA A 57 2.756 1.996 -4.610 1.00 0.00 C ATOM 0 H ALA A 57 0.869 2.899 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 57 1.928 3.387 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.593 1.712 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.958 1.260 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.088 2.035 -5.647 1.00 0.00 H new ATOM 847 N PRO A 58 4.015 4.719 -3.268 1.00 0.00 N ATOM 848 CA PRO A 58 5.097 5.734 -3.304 1.00 0.00 C ATOM 849 C PRO A 58 6.317 5.191 -4.053 1.00 0.00 C ATOM 850 O PRO A 58 6.998 5.913 -4.754 1.00 0.00 O ATOM 851 CB PRO A 58 5.423 5.965 -1.831 1.00 0.00 C ATOM 852 CG PRO A 58 5.001 4.708 -1.140 1.00 0.00 C ATOM 853 CD PRO A 58 3.854 4.134 -1.929 1.00 0.00 C ATOM 0 HA PRO A 58 4.807 6.649 -3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.486 6.157 -1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.888 6.830 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.828 3.999 -1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.697 4.916 -0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.897 3.045 -1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.893 4.402 -1.489 1.00 0.00 H new ATOM 861 N THR A 59 6.600 3.925 -3.911 1.00 0.00 N ATOM 862 CA THR A 59 7.777 3.340 -4.616 1.00 0.00 C ATOM 863 C THR A 59 7.603 1.827 -4.774 1.00 0.00 C ATOM 864 O THR A 59 6.853 1.199 -4.053 1.00 0.00 O ATOM 865 CB THR A 59 8.972 3.652 -3.715 1.00 0.00 C ATOM 866 OG1 THR A 59 8.827 4.957 -3.171 1.00 0.00 O ATOM 867 CG2 THR A 59 10.262 3.580 -4.532 1.00 0.00 C ATOM 0 H THR A 59 6.068 3.270 -3.338 1.00 0.00 H new ATOM 0 HA THR A 59 7.904 3.750 -5.618 1.00 0.00 H new ATOM 0 HB THR A 59 9.015 2.923 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.592 5.157 -2.592 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.113 3.803 -3.888 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.374 2.579 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.220 4.307 -5.343 1.00 0.00 H new ATOM 875 N ASP A 60 8.289 1.237 -5.713 1.00 0.00 N ATOM 876 CA ASP A 60 8.163 -0.235 -5.917 1.00 0.00 C ATOM 877 C ASP A 60 8.871 -0.989 -4.788 1.00 0.00 C ATOM 878 O ASP A 60 9.942 -0.612 -4.354 1.00 0.00 O ATOM 879 CB ASP A 60 8.848 -0.509 -7.256 1.00 0.00 C ATOM 880 CG ASP A 60 10.303 -0.041 -7.189 1.00 0.00 C ATOM 881 OD1 ASP A 60 10.548 1.115 -7.490 1.00 0.00 O ATOM 882 OD2 ASP A 60 11.147 -0.849 -6.837 1.00 0.00 O ATOM 0 H ASP A 60 8.932 1.710 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 60 7.124 -0.564 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.807 -1.574 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.324 0.011 -8.058 1.00 0.00 H new ATOM 887 N GLY A 61 8.281 -2.050 -4.308 1.00 0.00 N ATOM 888 CA GLY A 61 8.923 -2.823 -3.207 1.00 0.00 C ATOM 889 C GLY A 61 8.003 -3.970 -2.783 1.00 0.00 C ATOM 890 O GLY A 61 7.045 -4.293 -3.456 1.00 0.00 O ATOM 0 H GLY A 61 7.384 -2.414 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.884 -3.217 -3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.122 -2.169 -2.358 1.00 0.00 H new ATOM 894 N LYS A 62 8.288 -4.588 -1.668 1.00 0.00 N ATOM 895 CA LYS A 62 7.430 -5.714 -1.198 1.00 0.00 C ATOM 896 C LYS A 62 6.721 -5.325 0.102 1.00 0.00 C ATOM 897 O LYS A 62 7.298 -4.702 0.972 1.00 0.00 O ATOM 898 CB LYS A 62 8.397 -6.874 -0.956 1.00 0.00 C ATOM 899 CG LYS A 62 7.879 -8.127 -1.668 1.00 0.00 C ATOM 900 CD LYS A 62 9.051 -9.062 -1.974 1.00 0.00 C ATOM 901 CE LYS A 62 9.592 -9.644 -0.665 1.00 0.00 C ATOM 902 NZ LYS A 62 9.358 -11.112 -0.773 1.00 0.00 N ATOM 0 H LYS A 62 9.077 -4.362 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 62 6.655 -5.975 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.390 -6.617 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.494 -7.064 0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.147 -8.637 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.371 -7.849 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.727 -9.865 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.838 -8.518 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.652 -9.421 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.075 -9.224 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.703 -11.583 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.340 -11.294 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.868 -11.485 -1.599 1.00 0.00 H new ATOM 916 N VAL A 63 5.474 -5.683 0.244 1.00 0.00 N ATOM 917 CA VAL A 63 4.735 -5.326 1.490 1.00 0.00 C ATOM 918 C VAL A 63 5.230 -6.178 2.663 1.00 0.00 C ATOM 919 O VAL A 63 5.516 -7.351 2.522 1.00 0.00 O ATOM 920 CB VAL A 63 3.259 -5.618 1.175 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.434 -5.684 2.469 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.706 -4.497 0.297 1.00 0.00 C ATOM 0 H VAL A 63 4.935 -6.206 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 63 4.885 -4.286 1.780 1.00 0.00 H new ATOM 0 HB VAL A 63 3.193 -6.577 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.392 -5.891 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.822 -6.477 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.501 -4.730 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.659 -4.696 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.788 -3.547 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.276 -4.446 -0.631 1.00 0.00 H new ATOM 932 N GLU A 64 5.317 -5.592 3.824 1.00 0.00 N ATOM 933 CA GLU A 64 5.773 -6.356 5.017 1.00 0.00 C ATOM 934 C GLU A 64 4.578 -6.650 5.929 1.00 0.00 C ATOM 935 O GLU A 64 4.630 -7.521 6.775 1.00 0.00 O ATOM 936 CB GLU A 64 6.773 -5.436 5.722 1.00 0.00 C ATOM 937 CG GLU A 64 8.191 -5.770 5.258 1.00 0.00 C ATOM 938 CD GLU A 64 8.547 -7.194 5.687 1.00 0.00 C ATOM 939 OE1 GLU A 64 8.010 -7.642 6.687 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.352 -7.813 5.010 1.00 0.00 O ATOM 0 H GLU A 64 5.091 -4.613 3.998 1.00 0.00 H new ATOM 0 HA GLU A 64 6.223 -7.313 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.543 -4.394 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.695 -5.557 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.262 -5.677 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.901 -5.062 5.685 1.00 0.00 H new ATOM 947 N LYS A 65 3.494 -5.929 5.763 1.00 0.00 N ATOM 948 CA LYS A 65 2.294 -6.169 6.621 1.00 0.00 C ATOM 949 C LYS A 65 1.172 -5.196 6.246 1.00 0.00 C ATOM 950 O LYS A 65 1.411 -4.139 5.702 1.00 0.00 O ATOM 951 CB LYS A 65 2.763 -5.910 8.056 1.00 0.00 C ATOM 952 CG LYS A 65 2.625 -7.191 8.880 1.00 0.00 C ATOM 953 CD LYS A 65 2.325 -6.831 10.335 1.00 0.00 C ATOM 954 CE LYS A 65 1.797 -8.065 11.068 1.00 0.00 C ATOM 955 NZ LYS A 65 0.353 -8.134 10.709 1.00 0.00 N ATOM 0 H LYS A 65 3.390 -5.187 5.071 1.00 0.00 H new ATOM 0 HA LYS A 65 1.900 -7.178 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.801 -5.576 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.171 -5.112 8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.826 -7.812 8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.543 -7.775 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.228 -6.464 10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.590 -6.027 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.325 -8.966 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.932 -7.973 12.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.173 -8.601 11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.017 -7.172 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.240 -8.677 9.830 1.00 0.00 H new ATOM 969 N VAL A 66 -0.051 -5.546 6.537 1.00 0.00 N ATOM 970 CA VAL A 66 -1.186 -4.638 6.201 1.00 0.00 C ATOM 971 C VAL A 66 -2.147 -4.536 7.390 1.00 0.00 C ATOM 972 O VAL A 66 -2.965 -5.405 7.616 1.00 0.00 O ATOM 973 CB VAL A 66 -1.878 -5.291 5.004 1.00 0.00 C ATOM 974 CG1 VAL A 66 -0.905 -5.355 3.824 1.00 0.00 C ATOM 975 CG2 VAL A 66 -2.321 -6.707 5.376 1.00 0.00 C ATOM 0 H VAL A 66 -0.314 -6.420 6.992 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.853 -3.626 5.973 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.751 -4.700 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.398 -5.820 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.591 -4.346 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.032 -5.944 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.814 -7.170 4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.450 -7.299 5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.015 -6.662 6.215 1.00 0.00 H new ATOM 985 N LEU A 67 -2.053 -3.484 8.154 1.00 0.00 N ATOM 986 CA LEU A 67 -2.960 -3.333 9.326 1.00 0.00 C ATOM 987 C LEU A 67 -4.300 -2.726 8.893 1.00 0.00 C ATOM 988 O LEU A 67 -5.269 -2.763 9.625 1.00 0.00 O ATOM 989 CB LEU A 67 -2.219 -2.396 10.282 1.00 0.00 C ATOM 990 CG LEU A 67 -2.067 -1.016 9.636 1.00 0.00 C ATOM 991 CD1 LEU A 67 -2.828 0.025 10.460 1.00 0.00 C ATOM 992 CD2 LEU A 67 -0.585 -0.639 9.584 1.00 0.00 C ATOM 0 H LEU A 67 -1.388 -2.723 8.018 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.191 -4.290 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.767 -2.311 11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.238 -2.806 10.522 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.473 -1.044 8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.718 1.006 9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.884 -0.242 10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.425 0.053 11.472 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.475 0.343 9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.180 -0.613 10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.042 -1.378 8.995 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.363 -2.164 7.710 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.643 -1.553 7.231 1.00 0.00 C ATOM 1006 C VAL A 68 -6.826 -2.496 7.480 1.00 0.00 C ATOM 1007 O VAL A 68 -6.671 -3.699 7.544 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.445 -1.342 5.729 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -4.339 -0.313 5.498 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -5.054 -2.668 5.074 1.00 0.00 C ATOM 0 H VAL A 68 -3.583 -2.102 7.055 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.866 -0.624 7.755 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.374 -0.980 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.199 -0.164 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.619 0.632 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.409 -0.673 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.913 -2.517 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.126 -3.032 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.844 -3.401 5.236 1.00 0.00 H new ATOM 1020 N LYS A 69 -8.006 -1.955 7.617 1.00 0.00 N ATOM 1021 CA LYS A 69 -9.200 -2.818 7.857 1.00 0.00 C ATOM 1022 C LYS A 69 -10.270 -2.572 6.785 1.00 0.00 C ATOM 1023 O LYS A 69 -11.372 -3.076 6.876 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.717 -2.398 9.233 1.00 0.00 C ATOM 1025 CG LYS A 69 -9.162 -3.345 10.297 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.027 -2.598 11.626 1.00 0.00 C ATOM 1027 CE LYS A 69 -9.690 -3.410 12.741 1.00 0.00 C ATOM 1028 NZ LYS A 69 -8.573 -3.805 13.643 1.00 0.00 N ATOM 0 H LYS A 69 -8.196 -0.954 7.573 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.953 -3.879 7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.415 -1.373 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.807 -2.418 9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.823 -4.203 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.192 -3.731 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.974 -2.435 11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.493 -1.615 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.436 -2.818 13.271 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.203 -4.285 12.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.948 -4.366 14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.882 -4.373 13.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.108 -2.952 14.013 1.00 0.00 H new ATOM 1042 N GLU A 70 -9.956 -1.805 5.768 1.00 0.00 N ATOM 1043 CA GLU A 70 -10.955 -1.526 4.690 1.00 0.00 C ATOM 1044 C GLU A 70 -12.182 -0.810 5.264 1.00 0.00 C ATOM 1045 O GLU A 70 -12.612 -1.079 6.367 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.344 -2.895 4.125 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.057 -2.930 2.623 1.00 0.00 C ATOM 1048 CD GLU A 70 -11.190 -4.364 2.109 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -10.910 -5.274 2.872 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -11.571 -4.529 0.962 1.00 0.00 O ATOM 0 H GLU A 70 -9.048 -1.359 5.639 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.544 -0.875 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.784 -3.681 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.401 -3.088 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.752 -2.278 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.053 -2.554 2.425 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.747 0.102 4.522 1.00 0.00 N ATOM 1058 CA ARG A 71 -13.945 0.835 5.023 1.00 0.00 C ATOM 1059 C ARG A 71 -13.663 1.432 6.404 1.00 0.00 C ATOM 1060 O ARG A 71 -14.511 1.431 7.275 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.046 -0.221 5.113 1.00 0.00 C ATOM 1062 CG ARG A 71 -15.408 -0.704 3.707 1.00 0.00 C ATOM 1063 CD ARG A 71 -16.409 -1.858 3.805 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.741 -1.203 3.933 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.430 -1.336 5.032 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -18.774 -2.526 5.446 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -18.779 -0.281 5.717 1.00 0.00 N ATOM 0 H ARG A 71 -12.431 0.372 3.590 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.224 1.662 4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.710 -1.060 5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.926 0.197 5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.836 0.115 3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.511 -1.030 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.365 -2.494 2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.197 -2.493 4.665 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.114 -0.651 3.161 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.504 -3.350 4.910 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.313 -2.631 6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.513 0.649 5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.318 -0.386 6.577 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.478 1.938 6.615 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.150 2.528 7.944 1.00 0.00 C ATOM 1083 C ASP A 72 -11.041 3.575 7.808 1.00 0.00 C ATOM 1084 O ASP A 72 -10.133 3.637 8.612 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.671 1.348 8.792 1.00 0.00 C ATOM 1086 CG ASP A 72 -11.839 1.683 10.275 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -10.929 2.270 10.836 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -12.875 1.345 10.824 1.00 0.00 O ATOM 0 H ASP A 72 -11.725 1.968 5.927 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.006 3.034 8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.241 0.453 8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.625 1.130 8.574 1.00 0.00 H new ATOM 1093 N ALA A 73 -11.109 4.405 6.802 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.057 5.448 6.629 1.00 0.00 C ATOM 1095 C ALA A 73 -10.351 6.660 7.525 1.00 0.00 C ATOM 1096 O ALA A 73 -9.572 7.590 7.592 1.00 0.00 O ATOM 1097 CB ALA A 73 -10.119 5.857 5.159 1.00 0.00 C ATOM 0 H ALA A 73 -11.844 4.406 6.095 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.072 5.072 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.369 6.624 4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.923 4.988 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.109 6.252 4.933 1.00 0.00 H new ATOM 1103 N VAL A 74 -11.475 6.660 8.203 1.00 0.00 N ATOM 1104 CA VAL A 74 -11.833 7.812 9.089 1.00 0.00 C ATOM 1105 C VAL A 74 -10.631 8.260 9.926 1.00 0.00 C ATOM 1106 O VAL A 74 -9.860 7.456 10.411 1.00 0.00 O ATOM 1107 CB VAL A 74 -12.946 7.281 9.996 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -14.181 6.953 9.152 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -12.466 6.015 10.710 1.00 0.00 C ATOM 0 H VAL A 74 -12.163 5.907 8.180 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.146 8.682 8.512 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.202 8.040 10.736 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.973 6.575 9.798 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.525 7.855 8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.925 6.196 8.411 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.259 5.638 11.355 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.208 5.256 9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.588 6.248 11.313 1.00 0.00 H new ATOM 1119 N GLN A 75 -10.470 9.544 10.093 1.00 0.00 N ATOM 1120 CA GLN A 75 -9.324 10.061 10.893 1.00 0.00 C ATOM 1121 C GLN A 75 -8.002 9.502 10.358 1.00 0.00 C ATOM 1122 O GLN A 75 -7.628 8.382 10.647 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.579 9.572 12.319 1.00 0.00 C ATOM 1124 CG GLN A 75 -8.898 10.515 13.311 1.00 0.00 C ATOM 1125 CD GLN A 75 -8.895 9.878 14.701 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -9.753 9.081 15.020 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -7.956 10.198 15.550 1.00 0.00 N ATOM 0 H GLN A 75 -11.086 10.260 9.708 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.247 11.147 10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.650 9.533 12.515 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.195 8.559 12.442 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.876 10.720 12.991 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.421 11.471 13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.234 10.868 15.284 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.944 9.778 16.480 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.291 10.276 9.584 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.993 9.793 9.033 1.00 0.00 C ATOM 1138 C GLY A 76 -4.958 9.710 10.156 1.00 0.00 C ATOM 1139 O GLY A 76 -5.284 9.811 11.322 1.00 0.00 O ATOM 0 H GLY A 76 -7.553 11.223 9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.124 8.814 8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.644 10.469 8.252 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.712 9.525 9.814 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.656 9.433 10.864 1.00 0.00 C ATOM 1145 C GLY A 77 -2.402 7.964 11.204 1.00 0.00 C ATOM 1146 O GLY A 77 -1.339 7.598 11.664 1.00 0.00 O ATOM 0 H GLY A 77 -3.379 9.434 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.736 9.900 10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.967 9.975 11.757 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.371 7.120 10.978 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.186 5.673 11.287 1.00 0.00 C ATOM 1152 C GLN A 78 -2.376 4.996 10.178 1.00 0.00 C ATOM 1153 O GLN A 78 -2.667 5.140 9.007 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.604 5.100 11.346 1.00 0.00 C ATOM 1155 CG GLN A 78 -4.540 3.581 11.527 1.00 0.00 C ATOM 1156 CD GLN A 78 -5.950 2.996 11.431 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -6.616 2.817 12.432 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -6.438 2.690 10.259 1.00 0.00 N ATOM 0 H GLN A 78 -4.282 7.369 10.593 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.642 5.513 12.218 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.155 5.551 12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.144 5.344 10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.899 3.140 10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.099 3.337 12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.879 2.840 9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.378 2.301 10.184 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.362 4.259 10.538 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.536 3.574 9.504 1.00 0.00 C ATOM 1169 C GLY A 79 -1.439 2.698 8.634 1.00 0.00 C ATOM 1170 O GLY A 79 -2.515 2.309 9.039 1.00 0.00 O ATOM 0 H GLY A 79 -1.070 4.101 11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.021 4.310 8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.232 2.964 9.981 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.013 2.386 7.441 1.00 0.00 N ATOM 1175 CA LEU A 80 -1.857 1.536 6.553 1.00 0.00 C ATOM 1176 C LEU A 80 -1.124 0.235 6.213 1.00 0.00 C ATOM 1177 O LEU A 80 -1.545 -0.843 6.590 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.086 2.376 5.297 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.892 3.626 5.658 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -2.720 4.681 4.564 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.371 3.257 5.786 1.00 0.00 C ATOM 0 H LEU A 80 -0.121 2.681 7.044 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.798 1.252 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.130 2.661 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.619 1.791 4.548 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.534 4.028 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.295 5.570 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.666 4.943 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.077 4.282 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.947 4.146 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.729 2.854 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.493 2.507 6.568 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.029 0.329 5.507 1.00 0.00 N ATOM 1194 CA ILE A 81 0.734 -0.901 5.145 1.00 0.00 C ATOM 1195 C ILE A 81 2.196 -0.749 5.575 1.00 0.00 C ATOM 1196 O ILE A 81 2.694 0.347 5.719 1.00 0.00 O ATOM 1197 CB ILE A 81 0.634 -1.001 3.623 1.00 0.00 C ATOM 1198 CG1 ILE A 81 -0.830 -1.193 3.220 1.00 0.00 C ATOM 1199 CG2 ILE A 81 1.456 -2.194 3.132 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -1.022 -0.737 1.772 1.00 0.00 C ATOM 0 H ILE A 81 0.370 1.203 5.166 1.00 0.00 H new ATOM 0 HA ILE A 81 0.342 -1.792 5.635 1.00 0.00 H new ATOM 0 HB ILE A 81 1.020 -0.085 3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.113 -2.241 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.479 -0.620 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.384 -2.264 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.499 -2.060 3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.072 -3.110 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.064 -0.873 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.755 0.316 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.383 -1.329 1.116 1.00 0.00 H new ATOM 1212 N LYS A 82 2.885 -1.835 5.778 1.00 0.00 N ATOM 1213 CA LYS A 82 4.314 -1.741 6.195 1.00 0.00 C ATOM 1214 C LYS A 82 5.227 -1.911 4.978 1.00 0.00 C ATOM 1215 O LYS A 82 4.919 -2.640 4.057 1.00 0.00 O ATOM 1216 CB LYS A 82 4.519 -2.886 7.186 1.00 0.00 C ATOM 1217 CG LYS A 82 5.596 -2.496 8.201 1.00 0.00 C ATOM 1218 CD LYS A 82 4.933 -1.905 9.448 1.00 0.00 C ATOM 1219 CE LYS A 82 4.734 -3.007 10.492 1.00 0.00 C ATOM 1220 NZ LYS A 82 3.386 -2.747 11.071 1.00 0.00 N ATOM 0 H LYS A 82 2.523 -2.783 5.674 1.00 0.00 H new ATOM 0 HA LYS A 82 4.552 -0.775 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.584 -3.108 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.815 -3.791 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.189 -3.369 8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.280 -1.770 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.552 -1.108 9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.973 -1.460 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.785 -3.996 10.037 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.508 -2.969 11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.176 -3.462 11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.370 -1.801 11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.670 -2.796 10.319 1.00 0.00 H new ATOM 1234 N ILE A 83 6.349 -1.244 4.967 1.00 0.00 N ATOM 1235 CA ILE A 83 7.278 -1.370 3.808 1.00 0.00 C ATOM 1236 C ILE A 83 8.722 -1.504 4.299 1.00 0.00 C ATOM 1237 O ILE A 83 9.660 -1.170 3.602 1.00 0.00 O ATOM 1238 CB ILE A 83 7.093 -0.077 3.011 1.00 0.00 C ATOM 1239 CG1 ILE A 83 8.020 -0.089 1.794 1.00 0.00 C ATOM 1240 CG2 ILE A 83 7.432 1.124 3.897 1.00 0.00 C ATOM 1241 CD1 ILE A 83 7.416 0.770 0.681 1.00 0.00 C ATOM 0 H ILE A 83 6.662 -0.618 5.709 1.00 0.00 H new ATOM 0 HA ILE A 83 7.069 -2.252 3.203 1.00 0.00 H new ATOM 0 HB ILE A 83 6.058 -0.003 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 83 9.003 0.293 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.162 -1.111 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.300 2.044 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 83 6.771 1.135 4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.467 1.049 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.077 0.761 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.443 0.368 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.297 1.794 1.036 1.00 0.00 H new ATOM 1253 N GLY A 84 8.909 -1.990 5.497 1.00 0.00 N ATOM 1254 CA GLY A 84 10.292 -2.144 6.030 1.00 0.00 C ATOM 1255 C GLY A 84 10.403 -3.466 6.792 1.00 0.00 C ATOM 1256 O GLY A 84 11.452 -4.084 6.718 1.00 0.00 O ATOM 1257 OXT GLY A 84 9.437 -3.837 7.439 1.00 0.00 O ATOM 0 H GLY A 84 8.165 -2.286 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.012 -2.122 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.533 -1.311 6.690 1.00 0.00 H new TER 1261 GLY A 84