USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 18 THR OG1 : rot 180:sc= 1.08 USER MOD Set 1.2: A 21 THR OG1 : rot -73:sc= 2 USER MOD Single : A 0 GLY N :NH3+ -156:sc= -0.241! (180deg=-0.901!) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0763 (180deg=-0.443) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 3:sc= 0.96 USER MOD Single : A 17 THR OG1 : rot 9:sc= 0.473 USER MOD Single : A 20 GLN : amide:sc= -1 K(o=-1,f=-0.17) USER MOD Single : A 27 SER OG : rot -29:sc= 0.108 USER MOD Single : A 28 GLN : amide:sc= -0.0603 X(o=-0.06,f=-0.089) USER MOD Single : A 35 SER OG : rot 109:sc= 0.934 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= 0.537 (180deg=-0.768!) USER MOD Single : A 39 ASN : amide:sc= -0.0555 X(o=-0.055,f=-0.2) USER MOD Single : A 43 THR OG1 : rot -61:sc= 1.18 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 81:sc= -0.372 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0.96 (180deg=0.96) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 0.751 (180deg=-0.669!) USER MOD Single : A 60 MET CE :methyl 173:sc= -0.876 (180deg=-0.983) USER MOD Single : A 67 MET CE :methyl -141:sc= -0.106 (180deg=-1.3) USER MOD Single : A 68 ASN : amide:sc= 0.366 K(o=0.37,f=-5.1!) USER MOD Single : A 70 GLN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : A 76 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.312 K(o=0.31,f=-0.79) USER MOD Single : A 83 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.17) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 14.206 9.131 6.218 1.00 0.00 N ATOM 2 CA GLY A 0 14.332 10.527 6.624 1.00 0.00 C ATOM 3 C GLY A 0 15.353 11.295 5.801 1.00 0.00 C ATOM 4 O GLY A 0 15.090 12.410 5.400 1.00 0.00 O ATOM 0 H1 GLY A 0 13.270 8.772 6.495 1.00 0.00 H new ATOM 0 H2 GLY A 0 14.314 9.058 5.186 1.00 0.00 H new ATOM 0 H3 GLY A 0 14.945 8.566 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.361 11.014 6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 0 14.615 10.570 7.676 1.00 0.00 H new ATOM 10 N MET A 1 16.499 10.691 5.534 1.00 0.00 N ATOM 11 CA MET A 1 17.575 11.368 4.824 1.00 0.00 C ATOM 12 C MET A 1 17.871 10.670 3.492 1.00 0.00 C ATOM 13 O MET A 1 17.617 11.213 2.436 1.00 0.00 O ATOM 14 CB MET A 1 18.841 11.406 5.701 1.00 0.00 C ATOM 15 CG MET A 1 20.029 12.141 5.076 1.00 0.00 C ATOM 16 SD MET A 1 19.712 13.893 4.771 1.00 0.00 S ATOM 17 CE MET A 1 19.420 14.505 6.433 1.00 0.00 C ATOM 0 H MET A 1 16.710 9.729 5.799 1.00 0.00 H new ATOM 0 HA MET A 1 17.260 12.389 4.610 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.595 11.882 6.650 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.142 10.383 5.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.893 12.045 5.734 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.291 11.658 4.135 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.511 15.591 6.442 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.417 14.222 6.754 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.154 14.074 7.114 1.00 0.00 H new ATOM 27 N ALA A 2 18.366 9.444 3.557 1.00 0.00 N ATOM 28 CA ALA A 2 18.734 8.701 2.342 1.00 0.00 C ATOM 29 C ALA A 2 17.693 7.650 2.049 1.00 0.00 C ATOM 30 O ALA A 2 17.706 6.992 1.021 1.00 0.00 O ATOM 31 CB ALA A 2 20.094 8.055 2.510 1.00 0.00 C ATOM 0 H ALA A 2 18.525 8.937 4.428 1.00 0.00 H new ATOM 0 HA ALA A 2 18.782 9.398 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 2 20.352 7.509 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.842 8.826 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 2 20.067 7.365 3.353 1.00 0.00 H new ATOM 37 N GLU A 3 16.783 7.554 2.951 1.00 0.00 N ATOM 38 CA GLU A 3 15.715 6.633 2.919 1.00 0.00 C ATOM 39 C GLU A 3 14.445 7.424 2.984 1.00 0.00 C ATOM 40 O GLU A 3 13.820 7.632 4.034 1.00 0.00 O ATOM 41 CB GLU A 3 15.839 5.498 3.986 1.00 0.00 C ATOM 42 CG GLU A 3 16.721 5.801 5.219 1.00 0.00 C ATOM 43 CD GLU A 3 16.263 6.978 6.024 1.00 0.00 C ATOM 44 OE1 GLU A 3 15.426 6.829 6.922 1.00 0.00 O1- ATOM 45 OE2 GLU A 3 16.701 8.112 5.746 1.00 0.00 O ATOM 0 H GLU A 3 16.767 8.153 3.777 1.00 0.00 H new ATOM 0 HA GLU A 3 15.729 6.067 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.837 5.249 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.235 4.610 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.743 4.921 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.744 5.978 4.886 1.00 0.00 H new ATOM 52 N VAL A 4 14.215 8.029 1.885 1.00 0.00 N ATOM 53 CA VAL A 4 13.106 8.882 1.636 1.00 0.00 C ATOM 54 C VAL A 4 11.905 8.029 1.224 1.00 0.00 C ATOM 55 O VAL A 4 12.087 6.902 0.770 1.00 0.00 O ATOM 56 CB VAL A 4 13.545 9.923 0.574 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.381 10.633 -0.114 1.00 0.00 C ATOM 58 CG2 VAL A 4 14.432 10.962 1.240 1.00 0.00 C ATOM 0 H VAL A 4 14.833 7.941 1.078 1.00 0.00 H new ATOM 0 HA VAL A 4 12.790 9.435 2.521 1.00 0.00 H new ATOM 0 HB VAL A 4 14.077 9.373 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.769 11.345 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.756 9.899 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.787 11.163 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.746 11.699 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.876 11.459 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.310 10.474 1.662 1.00 0.00 H new ATOM 68 N GLU A 5 10.698 8.562 1.415 1.00 0.00 N ATOM 69 CA GLU A 5 9.482 7.807 1.225 1.00 0.00 C ATOM 70 C GLU A 5 9.341 7.203 -0.157 1.00 0.00 C ATOM 71 O GLU A 5 9.542 7.863 -1.182 1.00 0.00 O ATOM 72 CB GLU A 5 8.217 8.621 1.543 1.00 0.00 C ATOM 73 CG GLU A 5 7.937 9.803 0.618 1.00 0.00 C ATOM 74 CD GLU A 5 6.470 10.180 0.627 1.00 0.00 C ATOM 75 OE1 GLU A 5 5.996 10.736 1.624 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 5.751 9.855 -0.353 1.00 0.00 O ATOM 0 H GLU A 5 10.547 9.528 1.705 1.00 0.00 H new ATOM 0 HA GLU A 5 9.574 6.991 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.359 7.950 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.295 8.994 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.536 10.659 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.243 9.552 -0.398 1.00 0.00 H new ATOM 83 N TYR A 6 9.041 5.947 -0.167 1.00 0.00 N ATOM 84 CA TYR A 6 8.662 5.289 -1.346 1.00 0.00 C ATOM 85 C TYR A 6 7.283 4.796 -1.210 1.00 0.00 C ATOM 86 O TYR A 6 6.998 3.783 -0.565 1.00 0.00 O ATOM 87 CB TYR A 6 9.654 4.260 -1.828 1.00 0.00 C ATOM 88 CG TYR A 6 10.732 4.920 -2.631 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.467 5.327 -3.931 1.00 0.00 C ATOM 90 CD2 TYR A 6 11.985 5.170 -2.104 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.425 5.958 -4.690 1.00 0.00 C ATOM 92 CE2 TYR A 6 12.955 5.801 -2.853 1.00 0.00 C ATOM 93 CZ TYR A 6 12.672 6.192 -4.146 1.00 0.00 C ATOM 94 OH TYR A 6 13.632 6.817 -4.894 1.00 0.00 O ATOM 0 H TYR A 6 9.056 5.352 0.661 1.00 0.00 H new ATOM 0 HA TYR A 6 8.675 6.015 -2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.092 3.739 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.146 3.510 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.490 5.145 -4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.207 4.867 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.204 6.267 -5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.931 5.988 -2.430 1.00 0.00 H new ATOM 0 HH TYR A 6 14.452 6.907 -4.365 1.00 0.00 H new ATOM 104 N ARG A 7 6.426 5.568 -1.764 1.00 0.00 N ATOM 105 CA ARG A 7 5.035 5.383 -1.669 1.00 0.00 C ATOM 106 C ARG A 7 4.586 4.404 -2.744 1.00 0.00 C ATOM 107 O ARG A 7 4.934 4.540 -3.919 1.00 0.00 O ATOM 108 CB ARG A 7 4.399 6.761 -1.809 1.00 0.00 C ATOM 109 CG ARG A 7 2.921 6.841 -1.482 1.00 0.00 C ATOM 110 CD ARG A 7 2.479 8.301 -1.291 1.00 0.00 C ATOM 111 NE ARG A 7 3.216 8.954 -0.190 1.00 0.00 N ATOM 112 CZ ARG A 7 2.852 8.948 1.107 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.689 8.391 1.490 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 3.638 9.499 2.016 1.00 0.00 N ATOM 0 H ARG A 7 6.690 6.381 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 7 4.730 4.951 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.934 7.455 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.545 7.105 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.342 6.384 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.714 6.273 -0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.641 8.854 -2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.410 8.333 -1.083 1.00 0.00 H new ATOM 0 HE ARG A 7 4.073 9.451 -0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.073 7.968 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.423 8.392 2.475 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.520 9.928 1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.363 9.495 2.998 1.00 0.00 H new ATOM 128 N CYS A 8 3.880 3.407 -2.322 1.00 0.00 N ATOM 129 CA CYS A 8 3.413 2.348 -3.162 1.00 0.00 C ATOM 130 C CYS A 8 1.897 2.451 -3.297 1.00 0.00 C ATOM 131 O CYS A 8 1.214 2.900 -2.366 1.00 0.00 O ATOM 132 CB CYS A 8 3.819 1.012 -2.524 1.00 0.00 C ATOM 133 SG CYS A 8 3.400 -0.463 -3.463 1.00 0.00 S ATOM 0 H CYS A 8 3.601 3.302 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 8 3.852 2.416 -4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.897 1.022 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.348 0.941 -1.543 1.00 0.00 H new ATOM 0 HG CYS A 8 2.854 -0.119 -4.591 1.00 0.00 H new ATOM 139 N PHE A 9 1.389 2.068 -4.445 1.00 0.00 N ATOM 140 CA PHE A 9 -0.025 2.123 -4.735 1.00 0.00 C ATOM 141 C PHE A 9 -0.584 0.722 -4.612 1.00 0.00 C ATOM 142 O PHE A 9 -0.108 -0.202 -5.291 1.00 0.00 O ATOM 143 CB PHE A 9 -0.225 2.638 -6.183 1.00 0.00 C ATOM 144 CG PHE A 9 -1.666 2.839 -6.640 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.489 1.758 -6.940 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.179 4.113 -6.789 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.784 1.948 -7.372 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.474 4.309 -7.224 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.277 3.225 -7.516 1.00 0.00 C ATOM 0 H PHE A 9 1.953 1.705 -5.213 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.535 2.793 -4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.300 3.588 -6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.254 1.935 -6.864 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.107 0.754 -6.833 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.558 4.967 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.410 1.097 -7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.859 5.312 -7.336 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.290 3.379 -7.857 1.00 0.00 H new ATOM 159 N VAL A 10 -1.548 0.542 -3.750 1.00 0.00 N ATOM 160 CA VAL A 10 -2.183 -0.739 -3.619 1.00 0.00 C ATOM 161 C VAL A 10 -3.670 -0.567 -3.884 1.00 0.00 C ATOM 162 O VAL A 10 -4.376 0.100 -3.133 1.00 0.00 O ATOM 163 CB VAL A 10 -1.970 -1.367 -2.208 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.550 -2.774 -2.155 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.493 -1.391 -1.833 1.00 0.00 C ATOM 0 H VAL A 10 -1.910 1.266 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.732 -1.420 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.494 -0.744 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.392 -3.196 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.619 -2.735 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.056 -3.400 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.376 -1.834 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.058 -1.983 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.104 -0.373 -1.823 1.00 0.00 H new ATOM 175 N GLY A 11 -4.123 -1.151 -4.947 1.00 0.00 N ATOM 176 CA GLY A 11 -5.499 -1.075 -5.319 1.00 0.00 C ATOM 177 C GLY A 11 -6.134 -2.421 -5.271 1.00 0.00 C ATOM 178 O GLY A 11 -5.434 -3.425 -5.296 1.00 0.00 O ATOM 0 H GLY A 11 -3.545 -1.697 -5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.025 -0.396 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.587 -0.662 -6.324 1.00 0.00 H new ATOM 182 N GLY A 12 -7.435 -2.455 -5.193 1.00 0.00 N ATOM 183 CA GLY A 12 -8.123 -3.712 -5.124 1.00 0.00 C ATOM 184 C GLY A 12 -8.130 -4.209 -3.714 1.00 0.00 C ATOM 185 O GLY A 12 -7.709 -5.314 -3.434 1.00 0.00 O ATOM 0 H GLY A 12 -8.037 -1.632 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.145 -3.598 -5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.636 -4.440 -5.773 1.00 0.00 H new ATOM 189 N LEU A 13 -8.580 -3.367 -2.822 1.00 0.00 N ATOM 190 CA LEU A 13 -8.611 -3.694 -1.421 1.00 0.00 C ATOM 191 C LEU A 13 -9.912 -4.372 -1.043 1.00 0.00 C ATOM 192 O LEU A 13 -10.897 -4.350 -1.817 1.00 0.00 O ATOM 193 CB LEU A 13 -8.343 -2.464 -0.576 1.00 0.00 C ATOM 194 CG LEU A 13 -7.000 -1.781 -0.841 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.826 -0.592 0.061 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.845 -2.754 -0.664 1.00 0.00 C ATOM 0 H LEU A 13 -8.935 -2.437 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.813 -4.408 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.141 -1.742 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.389 -2.746 0.476 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.997 -1.438 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.865 -0.119 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.628 0.123 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.858 -0.917 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.904 -2.240 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.845 -3.137 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.957 -3.583 -1.363 1.00 0.00 H new ATOM 208 N ALA A 14 -9.935 -4.942 0.129 1.00 0.00 N ATOM 209 CA ALA A 14 -11.001 -5.795 0.541 1.00 0.00 C ATOM 210 C ALA A 14 -12.029 -5.147 1.451 1.00 0.00 C ATOM 211 O ALA A 14 -12.197 -3.928 1.454 1.00 0.00 O ATOM 212 CB ALA A 14 -10.426 -7.032 1.123 1.00 0.00 C ATOM 0 H ALA A 14 -9.203 -4.823 0.829 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.581 -6.037 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.232 -7.693 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.817 -7.538 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.806 -6.776 1.982 1.00 0.00 H new ATOM 218 N TRP A 15 -12.733 -5.989 2.186 1.00 0.00 N ATOM 219 CA TRP A 15 -13.906 -5.601 2.944 1.00 0.00 C ATOM 220 C TRP A 15 -13.538 -4.900 4.233 1.00 0.00 C ATOM 221 O TRP A 15 -14.246 -4.002 4.682 1.00 0.00 O ATOM 222 CB TRP A 15 -14.745 -6.842 3.286 1.00 0.00 C ATOM 223 CG TRP A 15 -15.103 -7.716 2.113 1.00 0.00 C ATOM 224 CD1 TRP A 15 -14.528 -8.910 1.779 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.107 -7.465 1.117 1.00 0.00 C ATOM 226 NE1 TRP A 15 -15.123 -9.427 0.647 1.00 0.00 N ATOM 227 CE2 TRP A 15 -16.096 -8.558 0.224 1.00 0.00 C ATOM 228 CE3 TRP A 15 -17.018 -6.428 0.899 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -16.958 -8.638 -0.867 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -17.871 -6.509 -0.183 1.00 0.00 C ATOM 231 CH2 TRP A 15 -17.836 -7.606 -1.052 1.00 0.00 C ATOM 0 H TRP A 15 -12.501 -6.978 2.274 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.477 -4.911 2.322 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -14.197 -7.442 4.012 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.665 -6.517 3.771 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -13.723 -9.381 2.323 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.879 -10.310 0.198 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.054 -5.579 1.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -16.934 -9.482 -1.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.578 -5.712 -0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.519 -7.638 -1.888 1.00 0.00 H new ATOM 242 N ALA A 16 -12.444 -5.295 4.808 1.00 0.00 N ATOM 243 CA ALA A 16 -12.050 -4.790 6.115 1.00 0.00 C ATOM 244 C ALA A 16 -10.658 -4.204 6.063 1.00 0.00 C ATOM 245 O ALA A 16 -9.993 -3.992 7.104 1.00 0.00 O ATOM 246 CB ALA A 16 -12.130 -5.905 7.152 1.00 0.00 C ATOM 0 H ALA A 16 -11.796 -5.969 4.401 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.738 -3.996 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.833 -5.517 8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.152 -6.279 7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.461 -6.717 6.866 1.00 0.00 H new ATOM 252 N THR A 17 -10.217 -3.909 4.872 1.00 0.00 N ATOM 253 CA THR A 17 -8.929 -3.349 4.695 1.00 0.00 C ATOM 254 C THR A 17 -8.924 -1.888 5.179 1.00 0.00 C ATOM 255 O THR A 17 -9.631 -1.029 4.647 1.00 0.00 O ATOM 256 CB THR A 17 -8.508 -3.424 3.229 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.721 -4.764 2.741 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.034 -3.078 3.090 1.00 0.00 C ATOM 0 H THR A 17 -10.744 -4.053 4.010 1.00 0.00 H new ATOM 0 HA THR A 17 -8.213 -3.921 5.285 1.00 0.00 H new ATOM 0 HB THR A 17 -9.102 -2.714 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.217 -5.281 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.744 -3.135 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.861 -2.068 3.460 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.438 -3.784 3.669 1.00 0.00 H new ATOM 266 N THR A 18 -8.126 -1.641 6.176 1.00 0.00 N ATOM 267 CA THR A 18 -7.995 -0.357 6.797 1.00 0.00 C ATOM 268 C THR A 18 -6.595 0.037 6.732 1.00 0.00 C ATOM 269 O THR A 18 -5.732 -0.746 6.311 1.00 0.00 O ATOM 270 CB THR A 18 -8.454 -0.392 8.275 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.698 -1.386 8.995 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.944 -0.696 8.389 1.00 0.00 C ATOM 0 H THR A 18 -7.528 -2.354 6.593 1.00 0.00 H new ATOM 0 HA THR A 18 -8.628 0.358 6.271 1.00 0.00 H new ATOM 0 HB THR A 18 -8.277 0.593 8.708 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.990 -1.405 9.930 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.232 -0.713 9.440 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.513 0.074 7.869 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.153 -1.667 7.940 1.00 0.00 H new ATOM 280 N ASP A 19 -6.368 1.231 7.144 1.00 0.00 N ATOM 281 CA ASP A 19 -5.084 1.831 7.141 1.00 0.00 C ATOM 282 C ASP A 19 -4.125 1.025 7.992 1.00 0.00 C ATOM 283 O ASP A 19 -2.937 0.914 7.685 1.00 0.00 O ATOM 284 CB ASP A 19 -5.190 3.221 7.701 1.00 0.00 C ATOM 285 CG ASP A 19 -6.236 4.084 7.048 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.036 4.537 5.922 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -7.267 4.351 7.658 1.00 0.00 O ATOM 0 H ASP A 19 -7.101 1.841 7.507 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.709 1.864 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.408 3.153 8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.222 3.712 7.605 1.00 0.00 H new ATOM 292 N GLN A 20 -4.665 0.431 9.043 1.00 0.00 N ATOM 293 CA GLN A 20 -3.886 -0.365 9.948 1.00 0.00 C ATOM 294 C GLN A 20 -3.611 -1.729 9.325 1.00 0.00 C ATOM 295 O GLN A 20 -2.457 -2.086 9.126 1.00 0.00 O ATOM 296 CB GLN A 20 -4.614 -0.519 11.290 1.00 0.00 C ATOM 297 CG GLN A 20 -3.762 -1.138 12.399 1.00 0.00 C ATOM 298 CD GLN A 20 -2.541 -0.287 12.764 1.00 0.00 C ATOM 299 OE1 GLN A 20 -1.516 -0.795 13.172 1.00 0.00 O ATOM 300 NE2 GLN A 20 -2.652 1.022 12.637 1.00 0.00 N ATOM 0 H GLN A 20 -5.654 0.493 9.284 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.936 0.135 10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.960 0.462 11.617 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.500 -1.136 11.141 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.378 -1.278 13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.428 -2.126 12.083 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.521 1.429 12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.868 1.627 12.883 1.00 0.00 H new ATOM 309 N THR A 21 -4.677 -2.428 8.922 1.00 0.00 N ATOM 310 CA THR A 21 -4.550 -3.778 8.381 1.00 0.00 C ATOM 311 C THR A 21 -3.739 -3.838 7.069 1.00 0.00 C ATOM 312 O THR A 21 -3.113 -4.850 6.751 1.00 0.00 O ATOM 313 CB THR A 21 -5.925 -4.501 8.257 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.908 -3.666 7.588 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.455 -4.892 9.628 1.00 0.00 C ATOM 0 H THR A 21 -5.635 -2.079 8.962 1.00 0.00 H new ATOM 0 HA THR A 21 -3.966 -4.333 9.116 1.00 0.00 H new ATOM 0 HB THR A 21 -5.761 -5.398 7.660 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.194 -2.950 8.192 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.416 -5.395 9.517 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.747 -5.564 10.114 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.582 -3.997 10.238 1.00 0.00 H new ATOM 323 N LEU A 22 -3.745 -2.751 6.312 1.00 0.00 N ATOM 324 CA LEU A 22 -2.949 -2.686 5.105 1.00 0.00 C ATOM 325 C LEU A 22 -1.481 -2.441 5.477 1.00 0.00 C ATOM 326 O LEU A 22 -0.567 -3.006 4.875 1.00 0.00 O ATOM 327 CB LEU A 22 -3.452 -1.567 4.182 1.00 0.00 C ATOM 328 CG LEU A 22 -2.798 -1.489 2.796 1.00 0.00 C ATOM 329 CD1 LEU A 22 -3.098 -2.737 1.985 1.00 0.00 C ATOM 330 CD2 LEU A 22 -3.256 -0.249 2.053 1.00 0.00 C ATOM 0 H LEU A 22 -4.288 -1.911 6.513 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.038 -3.633 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.527 -1.690 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.301 -0.613 4.687 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.719 -1.425 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.624 -2.658 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.710 -3.612 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.176 -2.838 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.779 -0.215 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.339 -0.278 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.980 0.639 2.622 1.00 0.00 H new ATOM 342 N GLY A 23 -1.279 -1.628 6.499 1.00 0.00 N ATOM 343 CA GLY A 23 0.050 -1.263 6.921 1.00 0.00 C ATOM 344 C GLY A 23 0.787 -2.402 7.589 1.00 0.00 C ATOM 345 O GLY A 23 1.940 -2.675 7.249 1.00 0.00 O ATOM 0 H GLY A 23 -2.027 -1.209 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.621 -0.925 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.011 -0.422 7.611 1.00 0.00 H new ATOM 349 N GLU A 24 0.114 -3.090 8.505 1.00 0.00 N ATOM 350 CA GLU A 24 0.709 -4.193 9.269 1.00 0.00 C ATOM 351 C GLU A 24 1.228 -5.302 8.343 1.00 0.00 C ATOM 352 O GLU A 24 2.323 -5.834 8.544 1.00 0.00 O ATOM 353 CB GLU A 24 -0.300 -4.747 10.293 1.00 0.00 C ATOM 354 CG GLU A 24 -1.574 -5.289 9.675 1.00 0.00 C ATOM 355 CD GLU A 24 -2.597 -5.719 10.697 1.00 0.00 C ATOM 356 OE1 GLU A 24 -3.401 -4.865 11.125 1.00 0.00 O ATOM 357 OE2 GLU A 24 -2.615 -6.910 11.050 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.860 -2.903 8.743 1.00 0.00 H new ATOM 0 HA GLU A 24 1.567 -3.800 9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.179 -5.540 10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.558 -3.956 10.997 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.012 -4.525 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.328 -6.138 9.038 1.00 0.00 H new ATOM 364 N ALA A 25 0.466 -5.580 7.289 1.00 0.00 N ATOM 365 CA ALA A 25 0.808 -6.606 6.322 1.00 0.00 C ATOM 366 C ALA A 25 2.126 -6.288 5.624 1.00 0.00 C ATOM 367 O ALA A 25 2.975 -7.155 5.455 1.00 0.00 O ATOM 368 CB ALA A 25 -0.313 -6.757 5.301 1.00 0.00 C ATOM 0 H ALA A 25 -0.408 -5.096 7.085 1.00 0.00 H new ATOM 0 HA ALA A 25 0.932 -7.549 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.047 -7.529 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.234 -7.039 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.461 -5.811 4.781 1.00 0.00 H new ATOM 374 N PHE A 26 2.312 -5.036 5.270 1.00 0.00 N ATOM 375 CA PHE A 26 3.511 -4.629 4.567 1.00 0.00 C ATOM 376 C PHE A 26 4.662 -4.305 5.511 1.00 0.00 C ATOM 377 O PHE A 26 5.819 -4.232 5.089 1.00 0.00 O ATOM 378 CB PHE A 26 3.237 -3.467 3.618 1.00 0.00 C ATOM 379 CG PHE A 26 2.403 -3.842 2.420 1.00 0.00 C ATOM 380 CD1 PHE A 26 2.984 -4.489 1.348 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.055 -3.549 2.361 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.241 -4.837 0.238 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.305 -3.892 1.254 1.00 0.00 C ATOM 384 CZ PHE A 26 0.898 -4.537 0.190 1.00 0.00 C ATOM 0 H PHE A 26 1.651 -4.282 5.456 1.00 0.00 H new ATOM 0 HA PHE A 26 3.823 -5.486 3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.730 -2.674 4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.188 -3.060 3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.037 -4.727 1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.582 -3.045 3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.712 -5.344 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.748 -3.655 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.312 -4.806 -0.677 1.00 0.00 H new ATOM 394 N SER A 27 4.360 -4.164 6.791 1.00 0.00 N ATOM 395 CA SER A 27 5.369 -3.843 7.788 1.00 0.00 C ATOM 396 C SER A 27 6.270 -5.049 8.051 1.00 0.00 C ATOM 397 O SER A 27 7.337 -4.922 8.647 1.00 0.00 O ATOM 398 CB SER A 27 4.716 -3.342 9.090 1.00 0.00 C ATOM 399 OG SER A 27 5.689 -2.901 10.026 1.00 0.00 O ATOM 0 H SER A 27 3.417 -4.268 7.167 1.00 0.00 H new ATOM 0 HA SER A 27 5.991 -3.037 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.031 -2.525 8.863 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.122 -4.142 9.531 1.00 0.00 H new ATOM 0 HG SER A 27 6.522 -3.399 9.891 1.00 0.00 H new ATOM 405 N GLN A 28 5.834 -6.208 7.587 1.00 0.00 N ATOM 406 CA GLN A 28 6.605 -7.426 7.724 1.00 0.00 C ATOM 407 C GLN A 28 7.653 -7.512 6.619 1.00 0.00 C ATOM 408 O GLN A 28 8.535 -8.359 6.653 1.00 0.00 O ATOM 409 CB GLN A 28 5.685 -8.648 7.673 1.00 0.00 C ATOM 410 CG GLN A 28 4.626 -8.679 8.767 1.00 0.00 C ATOM 411 CD GLN A 28 5.225 -8.659 10.161 1.00 0.00 C ATOM 412 OE1 GLN A 28 5.431 -7.613 10.748 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.519 -9.817 10.693 1.00 0.00 N ATOM 0 H GLN A 28 4.941 -6.328 7.108 1.00 0.00 H new ATOM 0 HA GLN A 28 7.111 -7.411 8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.189 -8.675 6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.293 -9.550 7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.962 -7.823 8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.015 -9.574 8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.335 -10.677 10.177 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.933 -9.860 11.624 1.00 0.00 H new ATOM 422 N PHE A 29 7.529 -6.627 5.647 1.00 0.00 N ATOM 423 CA PHE A 29 8.440 -6.578 4.520 1.00 0.00 C ATOM 424 C PHE A 29 9.385 -5.402 4.686 1.00 0.00 C ATOM 425 O PHE A 29 10.585 -5.507 4.442 1.00 0.00 O ATOM 426 CB PHE A 29 7.661 -6.451 3.199 1.00 0.00 C ATOM 427 CG PHE A 29 6.767 -7.629 2.885 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.500 -7.730 3.435 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.197 -8.629 2.037 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.686 -8.804 3.145 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.391 -9.706 1.743 1.00 0.00 C ATOM 432 CZ PHE A 29 5.134 -9.796 2.299 1.00 0.00 C ATOM 0 H PHE A 29 6.793 -5.922 5.617 1.00 0.00 H new ATOM 0 HA PHE A 29 9.015 -7.503 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.052 -5.548 3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.372 -6.323 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.145 -6.957 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.181 -8.566 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.699 -8.868 3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.744 -10.479 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.501 -10.641 2.073 1.00 0.00 H new ATOM 442 N GLY A 30 8.851 -4.280 5.118 1.00 0.00 N ATOM 443 CA GLY A 30 9.675 -3.134 5.310 1.00 0.00 C ATOM 444 C GLY A 30 9.080 -2.156 6.271 1.00 0.00 C ATOM 445 O GLY A 30 7.899 -2.246 6.597 1.00 0.00 O ATOM 0 H GLY A 30 7.863 -4.149 5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.652 -3.450 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.838 -2.643 4.351 1.00 0.00 H new ATOM 449 N GLU A 31 9.907 -1.235 6.729 1.00 0.00 N ATOM 450 CA GLU A 31 9.491 -0.178 7.616 1.00 0.00 C ATOM 451 C GLU A 31 8.502 0.736 6.894 1.00 0.00 C ATOM 452 O GLU A 31 8.811 1.288 5.815 1.00 0.00 O ATOM 453 CB GLU A 31 10.708 0.625 8.070 1.00 0.00 C ATOM 454 CG GLU A 31 11.748 -0.176 8.854 1.00 0.00 C ATOM 455 CD GLU A 31 12.973 0.653 9.179 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.917 1.515 10.079 1.00 0.00 O1- ATOM 457 OE2 GLU A 31 14.008 0.523 8.479 1.00 0.00 O ATOM 0 H GLU A 31 10.898 -1.204 6.489 1.00 0.00 H new ATOM 0 HA GLU A 31 9.006 -0.610 8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.189 1.057 7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.368 1.456 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.302 -0.543 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.045 -1.050 8.275 1.00 0.00 H new ATOM 464 N ILE A 32 7.335 0.868 7.464 1.00 0.00 N ATOM 465 CA ILE A 32 6.272 1.665 6.900 1.00 0.00 C ATOM 466 C ILE A 32 6.320 3.057 7.501 1.00 0.00 C ATOM 467 O ILE A 32 6.518 3.209 8.702 1.00 0.00 O ATOM 468 CB ILE A 32 4.877 1.018 7.198 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.821 -0.426 6.682 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.729 1.837 6.612 1.00 0.00 C ATOM 471 CD1 ILE A 32 5.056 -0.570 5.193 1.00 0.00 C ATOM 0 H ILE A 32 7.089 0.419 8.346 1.00 0.00 H new ATOM 0 HA ILE A 32 6.407 1.718 5.820 1.00 0.00 H new ATOM 0 HB ILE A 32 4.755 1.008 8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.566 -1.018 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.846 -0.848 6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.781 1.351 6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.739 2.838 7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.847 1.907 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.999 -1.623 4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.296 -0.009 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.043 -0.182 4.941 1.00 0.00 H new ATOM 483 N LEU A 33 6.186 4.056 6.666 1.00 0.00 N ATOM 484 CA LEU A 33 6.159 5.426 7.131 1.00 0.00 C ATOM 485 C LEU A 33 4.719 5.854 7.347 1.00 0.00 C ATOM 486 O LEU A 33 4.400 6.523 8.327 1.00 0.00 O ATOM 487 CB LEU A 33 6.862 6.363 6.140 1.00 0.00 C ATOM 488 CG LEU A 33 8.338 6.051 5.839 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.909 7.072 4.877 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.165 6.008 7.121 1.00 0.00 C ATOM 0 H LEU A 33 6.093 3.949 5.656 1.00 0.00 H new ATOM 0 HA LEU A 33 6.699 5.488 8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.310 6.344 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.799 7.380 6.527 1.00 0.00 H new ATOM 0 HG LEU A 33 8.385 5.066 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.954 6.837 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.345 7.049 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.840 8.066 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.204 5.785 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.109 6.974 7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.774 5.234 7.781 1.00 0.00 H new ATOM 502 N ASP A 34 3.852 5.428 6.441 1.00 0.00 N ATOM 503 CA ASP A 34 2.427 5.709 6.527 1.00 0.00 C ATOM 504 C ASP A 34 1.685 4.762 5.627 1.00 0.00 C ATOM 505 O ASP A 34 2.271 4.179 4.714 1.00 0.00 O ATOM 506 CB ASP A 34 2.058 7.177 6.169 1.00 0.00 C ATOM 507 CG ASP A 34 2.142 7.555 4.698 1.00 0.00 C ATOM 508 OD1 ASP A 34 3.208 7.965 4.240 1.00 0.00 O ATOM 509 OD2 ASP A 34 1.117 7.488 3.983 1.00 0.00 O1- ATOM 0 H ASP A 34 4.117 4.877 5.624 1.00 0.00 H new ATOM 0 HA ASP A 34 2.136 5.568 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.042 7.368 6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.715 7.841 6.731 1.00 0.00 H new ATOM 514 N SER A 35 0.442 4.558 5.915 1.00 0.00 N ATOM 515 CA SER A 35 -0.405 3.732 5.120 1.00 0.00 C ATOM 516 C SER A 35 -1.816 4.280 5.178 1.00 0.00 C ATOM 517 O SER A 35 -2.490 4.189 6.205 1.00 0.00 O ATOM 518 CB SER A 35 -0.319 2.261 5.581 1.00 0.00 C ATOM 519 OG SER A 35 -0.463 2.137 6.997 1.00 0.00 O ATOM 0 H SER A 35 -0.022 4.969 6.725 1.00 0.00 H new ATOM 0 HA SER A 35 -0.078 3.745 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.096 1.679 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.639 1.840 5.275 1.00 0.00 H new ATOM 0 HG SER A 35 -1.330 1.730 7.203 1.00 0.00 H new ATOM 525 N LYS A 36 -2.236 4.899 4.109 1.00 0.00 N ATOM 526 CA LYS A 36 -3.531 5.509 4.060 1.00 0.00 C ATOM 527 C LYS A 36 -4.389 4.992 2.947 1.00 0.00 C ATOM 528 O LYS A 36 -4.005 5.015 1.771 1.00 0.00 O ATOM 529 CB LYS A 36 -3.468 7.048 4.018 1.00 0.00 C ATOM 530 CG LYS A 36 -3.444 7.735 5.391 1.00 0.00 C ATOM 531 CD LYS A 36 -4.667 7.339 6.244 1.00 0.00 C ATOM 532 CE LYS A 36 -6.004 7.640 5.539 1.00 0.00 C ATOM 533 NZ LYS A 36 -7.143 6.937 6.191 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.691 4.993 3.252 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.005 5.219 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.577 7.345 3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.328 7.417 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.529 7.465 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.427 8.817 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.614 6.275 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.632 7.874 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.186 8.715 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.940 7.337 4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.036 7.394 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.156 5.942 5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.034 6.983 7.224 1.00 0.00 H new ATOM 547 N ILE A 37 -5.544 4.524 3.331 1.00 0.00 N ATOM 548 CA ILE A 37 -6.561 4.102 2.420 1.00 0.00 C ATOM 549 C ILE A 37 -7.212 5.355 1.890 1.00 0.00 C ATOM 550 O ILE A 37 -7.443 6.313 2.656 1.00 0.00 O ATOM 551 CB ILE A 37 -7.671 3.267 3.138 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.078 2.110 3.944 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.707 2.741 2.142 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.294 1.113 3.137 1.00 0.00 C ATOM 0 H ILE A 37 -5.807 4.425 4.312 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.112 3.484 1.642 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.172 3.941 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.429 2.520 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.888 1.587 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.464 2.165 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.181 3.580 1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.215 2.103 1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.914 0.331 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.941 0.668 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.458 1.616 2.650 1.00 0.00 H new ATOM 566 N ILE A 38 -7.476 5.385 0.622 1.00 0.00 N ATOM 567 CA ILE A 38 -8.167 6.492 0.050 1.00 0.00 C ATOM 568 C ILE A 38 -9.630 6.300 0.344 1.00 0.00 C ATOM 569 O ILE A 38 -10.262 5.349 -0.146 1.00 0.00 O ATOM 570 CB ILE A 38 -7.907 6.604 -1.473 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.397 6.814 -1.732 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.741 7.734 -2.097 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.827 8.100 -1.150 1.00 0.00 C ATOM 0 H ILE A 38 -7.221 4.650 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.808 7.426 0.483 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.217 5.674 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.849 5.968 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.222 6.809 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.537 7.789 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.801 7.534 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.477 8.682 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.763 8.163 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.344 8.956 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.965 8.103 -0.069 1.00 0.00 H new ATOM 585 N ASN A 39 -10.142 7.132 1.198 1.00 0.00 N ATOM 586 CA ASN A 39 -11.508 7.037 1.613 1.00 0.00 C ATOM 587 C ASN A 39 -12.445 7.653 0.617 1.00 0.00 C ATOM 588 O ASN A 39 -12.073 8.514 -0.188 1.00 0.00 O ATOM 589 CB ASN A 39 -11.740 7.613 3.012 1.00 0.00 C ATOM 590 CG ASN A 39 -11.296 9.058 3.162 1.00 0.00 C ATOM 591 OD1 ASN A 39 -10.146 9.329 3.502 1.00 0.00 O ATOM 592 ND2 ASN A 39 -12.188 9.987 2.924 1.00 0.00 N ATOM 0 H ASN A 39 -9.623 7.898 1.628 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.731 5.971 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.801 7.542 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.206 7.001 3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.937 10.971 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.133 9.726 2.644 1.00 0.00 H new ATOM 599 N ASP A 40 -13.644 7.208 0.683 1.00 0.00 N ATOM 600 CA ASP A 40 -14.687 7.591 -0.206 1.00 0.00 C ATOM 601 C ASP A 40 -15.457 8.763 0.329 1.00 0.00 C ATOM 602 O ASP A 40 -16.108 8.661 1.356 1.00 0.00 O ATOM 603 CB ASP A 40 -15.618 6.413 -0.446 1.00 0.00 C ATOM 604 CG ASP A 40 -16.776 6.801 -1.269 1.00 0.00 C ATOM 605 OD1 ASP A 40 -16.566 7.408 -2.304 1.00 0.00 O ATOM 606 OD2 ASP A 40 -17.903 6.513 -0.867 1.00 0.00 O1- ATOM 0 H ASP A 40 -13.944 6.536 1.389 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.236 7.893 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.071 5.610 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.965 6.021 0.510 1.00 0.00 H new ATOM 611 N ARG A 41 -15.324 9.891 -0.324 1.00 0.00 N ATOM 612 CA ARG A 41 -16.063 11.063 0.073 1.00 0.00 C ATOM 613 C ARG A 41 -17.559 11.040 -0.264 1.00 0.00 C ATOM 614 O ARG A 41 -18.291 11.927 0.158 1.00 0.00 O ATOM 615 CB ARG A 41 -15.334 12.417 -0.185 1.00 0.00 C ATOM 616 CG ARG A 41 -14.753 12.696 -1.582 1.00 0.00 C ATOM 617 CD ARG A 41 -15.801 12.932 -2.658 1.00 0.00 C ATOM 618 NE ARG A 41 -15.186 13.531 -3.880 1.00 0.00 N ATOM 619 CZ ARG A 41 -15.454 13.174 -5.157 1.00 0.00 C ATOM 620 NH1 ARG A 41 -16.163 12.096 -5.413 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -14.946 13.887 -6.174 1.00 0.00 N ATOM 0 H ARG A 41 -14.713 10.022 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.071 10.997 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.036 13.218 0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.517 12.493 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.104 13.570 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.128 11.853 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.284 11.989 -2.914 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.578 13.594 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.503 14.276 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.515 11.523 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.361 11.833 -6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.358 14.698 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.148 13.618 -7.137 1.00 0.00 H new ATOM 635 N GLU A 42 -18.000 10.037 -1.021 1.00 0.00 N ATOM 636 CA GLU A 42 -19.413 9.888 -1.314 1.00 0.00 C ATOM 637 C GLU A 42 -20.160 9.217 -0.154 1.00 0.00 C ATOM 638 O GLU A 42 -21.119 9.769 0.382 1.00 0.00 O ATOM 639 CB GLU A 42 -19.697 9.104 -2.631 1.00 0.00 C ATOM 640 CG GLU A 42 -19.379 9.831 -3.950 1.00 0.00 C ATOM 641 CD GLU A 42 -17.918 9.842 -4.350 1.00 0.00 C ATOM 642 OE1 GLU A 42 -17.087 10.429 -3.641 1.00 0.00 O ATOM 643 OE2 GLU A 42 -17.577 9.325 -5.448 1.00 0.00 O1- ATOM 0 H GLU A 42 -17.401 9.324 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 42 -19.783 10.904 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.123 8.178 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.751 8.826 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.954 9.364 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -19.724 10.862 -3.869 1.00 0.00 H new ATOM 650 N THR A 43 -19.728 8.029 0.229 1.00 0.00 N ATOM 651 CA THR A 43 -20.435 7.271 1.244 1.00 0.00 C ATOM 652 C THR A 43 -19.676 7.157 2.569 1.00 0.00 C ATOM 653 O THR A 43 -20.188 6.579 3.532 1.00 0.00 O ATOM 654 CB THR A 43 -20.809 5.853 0.725 1.00 0.00 C ATOM 655 OG1 THR A 43 -19.634 5.084 0.399 1.00 0.00 O ATOM 656 CG2 THR A 43 -21.650 5.957 -0.518 1.00 0.00 C ATOM 0 H THR A 43 -18.897 7.571 -0.145 1.00 0.00 H new ATOM 0 HA THR A 43 -21.343 7.838 1.449 1.00 0.00 H new ATOM 0 HB THR A 43 -21.360 5.356 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.132 5.538 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 43 -21.904 4.957 -0.870 1.00 0.00 H new ATOM 0 HG22 THR A 43 -22.564 6.506 -0.294 1.00 0.00 H new ATOM 0 HG23 THR A 43 -21.092 6.483 -1.292 1.00 0.00 H new ATOM 664 N GLY A 44 -18.465 7.683 2.614 1.00 0.00 N ATOM 665 CA GLY A 44 -17.676 7.620 3.836 1.00 0.00 C ATOM 666 C GLY A 44 -16.989 6.278 4.004 1.00 0.00 C ATOM 667 O GLY A 44 -16.570 5.914 5.095 1.00 0.00 O ATOM 0 H GLY A 44 -18.009 8.153 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.926 8.411 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.322 7.806 4.694 1.00 0.00 H new ATOM 671 N ARG A 45 -16.887 5.547 2.921 1.00 0.00 N ATOM 672 CA ARG A 45 -16.265 4.231 2.930 1.00 0.00 C ATOM 673 C ARG A 45 -14.859 4.315 2.337 1.00 0.00 C ATOM 674 O ARG A 45 -14.208 5.340 2.446 1.00 0.00 O ATOM 675 CB ARG A 45 -17.142 3.267 2.137 1.00 0.00 C ATOM 676 CG ARG A 45 -18.508 3.057 2.757 1.00 0.00 C ATOM 677 CD ARG A 45 -19.380 2.196 1.876 1.00 0.00 C ATOM 678 NE ARG A 45 -20.711 1.971 2.470 1.00 0.00 N ATOM 679 CZ ARG A 45 -21.877 2.118 1.818 1.00 0.00 C ATOM 680 NH1 ARG A 45 -21.895 2.660 0.594 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -23.028 1.778 2.417 1.00 0.00 N ATOM 0 H ARG A 45 -17.230 5.840 2.006 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.173 3.865 3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.265 3.648 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -16.634 2.306 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -18.398 2.588 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.989 4.022 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.493 2.671 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.891 1.237 1.708 1.00 0.00 H new ATOM 0 HE ARG A 45 -20.749 1.683 3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -21.024 2.961 0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -22.780 2.772 0.099 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -23.018 1.408 3.367 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -23.913 1.890 1.922 1.00 0.00 H new ATOM 695 N SER A 46 -14.388 3.247 1.752 1.00 0.00 N ATOM 696 CA SER A 46 -13.091 3.226 1.125 1.00 0.00 C ATOM 697 C SER A 46 -13.270 3.237 -0.399 1.00 0.00 C ATOM 698 O SER A 46 -14.247 2.698 -0.900 1.00 0.00 O ATOM 699 CB SER A 46 -12.357 1.960 1.568 1.00 0.00 C ATOM 700 OG SER A 46 -12.338 1.873 2.983 1.00 0.00 O ATOM 0 H SER A 46 -14.894 2.363 1.696 1.00 0.00 H new ATOM 0 HA SER A 46 -12.509 4.100 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.848 1.081 1.149 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.337 1.969 1.183 1.00 0.00 H new ATOM 0 HG SER A 46 -11.867 1.058 3.254 1.00 0.00 H new ATOM 706 N ARG A 47 -12.337 3.856 -1.132 1.00 0.00 N ATOM 707 CA ARG A 47 -12.412 3.894 -2.609 1.00 0.00 C ATOM 708 C ARG A 47 -11.939 2.576 -3.211 1.00 0.00 C ATOM 709 O ARG A 47 -12.002 2.376 -4.415 1.00 0.00 O ATOM 710 CB ARG A 47 -11.567 5.033 -3.196 1.00 0.00 C ATOM 711 CG ARG A 47 -11.986 6.436 -2.795 1.00 0.00 C ATOM 712 CD ARG A 47 -13.380 6.796 -3.274 1.00 0.00 C ATOM 713 NE ARG A 47 -13.532 6.775 -4.740 1.00 0.00 N ATOM 714 CZ ARG A 47 -14.596 7.311 -5.387 1.00 0.00 C ATOM 715 NH1 ARG A 47 -15.652 7.702 -4.717 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -14.612 7.385 -6.717 1.00 0.00 N ATOM 0 H ARG A 47 -11.527 4.335 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.458 4.064 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.530 4.883 -2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.598 4.961 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.946 6.525 -1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.272 7.153 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.095 6.101 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.634 7.790 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.799 6.335 -5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.677 7.604 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.449 8.104 -5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.820 7.037 -7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.417 7.790 -7.196 1.00 0.00 H new ATOM 730 N GLY A 48 -11.418 1.710 -2.368 1.00 0.00 N ATOM 731 CA GLY A 48 -10.989 0.414 -2.821 1.00 0.00 C ATOM 732 C GLY A 48 -9.507 0.343 -3.093 1.00 0.00 C ATOM 733 O GLY A 48 -9.019 -0.664 -3.606 1.00 0.00 O ATOM 0 H GLY A 48 -11.284 1.883 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.251 -0.332 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.532 0.155 -3.730 1.00 0.00 H new ATOM 737 N PHE A 49 -8.788 1.398 -2.762 1.00 0.00 N ATOM 738 CA PHE A 49 -7.353 1.423 -2.946 1.00 0.00 C ATOM 739 C PHE A 49 -6.726 2.346 -1.909 1.00 0.00 C ATOM 740 O PHE A 49 -7.442 3.126 -1.254 1.00 0.00 O ATOM 741 CB PHE A 49 -6.966 1.846 -4.384 1.00 0.00 C ATOM 742 CG PHE A 49 -7.197 3.283 -4.735 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.457 3.753 -5.055 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.132 4.156 -4.758 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.650 5.079 -5.390 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.311 5.483 -5.090 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.573 5.947 -5.406 1.00 0.00 C ATOM 0 H PHE A 49 -9.178 2.252 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.966 0.414 -2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.910 1.622 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.526 1.228 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.299 3.077 -5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.143 3.797 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.638 5.437 -5.639 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.467 6.157 -5.103 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.719 6.985 -5.665 1.00 0.00 H new ATOM 757 N GLY A 50 -5.434 2.241 -1.736 1.00 0.00 N ATOM 758 CA GLY A 50 -4.739 3.050 -0.782 1.00 0.00 C ATOM 759 C GLY A 50 -3.261 3.094 -1.064 1.00 0.00 C ATOM 760 O GLY A 50 -2.771 2.400 -1.963 1.00 0.00 O ATOM 0 H GLY A 50 -4.840 1.593 -2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.143 4.062 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.907 2.657 0.221 1.00 0.00 H new ATOM 764 N PHE A 51 -2.556 3.890 -0.317 1.00 0.00 N ATOM 765 CA PHE A 51 -1.127 4.024 -0.474 1.00 0.00 C ATOM 766 C PHE A 51 -0.398 3.503 0.743 1.00 0.00 C ATOM 767 O PHE A 51 -0.821 3.731 1.878 1.00 0.00 O ATOM 768 CB PHE A 51 -0.722 5.481 -0.729 1.00 0.00 C ATOM 769 CG PHE A 51 -1.177 6.036 -2.048 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.420 5.839 -3.189 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.348 6.767 -2.145 1.00 0.00 C ATOM 772 CE1 PHE A 51 -0.822 6.358 -4.402 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.758 7.285 -3.358 1.00 0.00 C ATOM 774 CZ PHE A 51 -1.993 7.082 -4.487 1.00 0.00 C ATOM 0 H PHE A 51 -2.951 4.470 0.423 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.844 3.429 -1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.127 6.102 0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.364 5.557 -0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.497 5.272 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.948 6.934 -1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.220 6.198 -5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.677 7.849 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.310 7.489 -5.436 1.00 0.00 H new ATOM 784 N VAL A 52 0.673 2.796 0.501 1.00 0.00 N ATOM 785 CA VAL A 52 1.525 2.283 1.555 1.00 0.00 C ATOM 786 C VAL A 52 2.895 2.889 1.360 1.00 0.00 C ATOM 787 O VAL A 52 3.479 2.767 0.286 1.00 0.00 O ATOM 788 CB VAL A 52 1.647 0.734 1.517 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.497 0.232 2.672 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.283 0.083 1.554 1.00 0.00 C ATOM 0 H VAL A 52 0.987 2.555 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 52 1.090 2.547 2.519 1.00 0.00 H new ATOM 0 HB VAL A 52 2.134 0.461 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.569 -0.855 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.495 0.665 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.038 0.525 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.396 -1.001 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.233 0.371 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.299 0.409 0.692 1.00 0.00 H new ATOM 800 N THR A 53 3.378 3.564 2.339 1.00 0.00 N ATOM 801 CA THR A 53 4.627 4.227 2.236 1.00 0.00 C ATOM 802 C THR A 53 5.745 3.465 2.906 1.00 0.00 C ATOM 803 O THR A 53 5.701 3.187 4.106 1.00 0.00 O ATOM 804 CB THR A 53 4.501 5.615 2.818 1.00 0.00 C ATOM 805 OG1 THR A 53 3.418 6.229 2.165 1.00 0.00 O ATOM 806 CG2 THR A 53 5.755 6.415 2.568 1.00 0.00 C ATOM 0 H THR A 53 2.915 3.673 3.241 1.00 0.00 H new ATOM 0 HA THR A 53 4.889 4.289 1.180 1.00 0.00 H new ATOM 0 HB THR A 53 4.348 5.564 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.578 5.931 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.642 7.411 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.605 5.915 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.926 6.498 1.495 1.00 0.00 H new ATOM 814 N PHE A 54 6.735 3.138 2.127 1.00 0.00 N ATOM 815 CA PHE A 54 7.889 2.445 2.593 1.00 0.00 C ATOM 816 C PHE A 54 9.018 3.409 2.817 1.00 0.00 C ATOM 817 O PHE A 54 9.084 4.466 2.191 1.00 0.00 O ATOM 818 CB PHE A 54 8.318 1.380 1.595 1.00 0.00 C ATOM 819 CG PHE A 54 7.352 0.245 1.478 1.00 0.00 C ATOM 820 CD1 PHE A 54 6.297 0.305 0.584 1.00 0.00 C ATOM 821 CD2 PHE A 54 7.492 -0.879 2.273 1.00 0.00 C ATOM 822 CE1 PHE A 54 5.401 -0.733 0.484 1.00 0.00 C ATOM 823 CE2 PHE A 54 6.599 -1.920 2.178 1.00 0.00 C ATOM 824 CZ PHE A 54 5.551 -1.844 1.281 1.00 0.00 C ATOM 0 H PHE A 54 6.758 3.353 1.130 1.00 0.00 H new ATOM 0 HA PHE A 54 7.636 1.960 3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.444 1.841 0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.292 0.989 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.176 1.177 -0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.311 -0.939 2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.582 -0.676 -0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.716 -2.794 2.802 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.847 -2.660 1.205 1.00 0.00 H new ATOM 834 N LYS A 55 9.876 3.052 3.722 1.00 0.00 N ATOM 835 CA LYS A 55 11.047 3.833 4.056 1.00 0.00 C ATOM 836 C LYS A 55 12.123 3.716 2.965 1.00 0.00 C ATOM 837 O LYS A 55 12.906 4.627 2.764 1.00 0.00 O ATOM 838 CB LYS A 55 11.569 3.332 5.391 1.00 0.00 C ATOM 839 CG LYS A 55 12.802 4.018 5.934 1.00 0.00 C ATOM 840 CD LYS A 55 13.186 3.341 7.215 1.00 0.00 C ATOM 841 CE LYS A 55 14.471 3.847 7.819 1.00 0.00 C ATOM 842 NZ LYS A 55 14.836 3.018 8.991 1.00 0.00 N1+ ATOM 0 H LYS A 55 9.788 2.193 4.265 1.00 0.00 H new ATOM 0 HA LYS A 55 10.785 4.889 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.772 3.430 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.785 2.268 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.618 3.960 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.604 5.076 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.381 3.472 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.280 2.270 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.269 3.816 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.357 4.888 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.723 3.371 9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.079 3.069 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.963 2.030 8.691 1.00 0.00 H new ATOM 856 N ASP A 56 12.144 2.592 2.267 1.00 0.00 N ATOM 857 CA ASP A 56 13.131 2.375 1.213 1.00 0.00 C ATOM 858 C ASP A 56 12.514 1.685 0.016 1.00 0.00 C ATOM 859 O ASP A 56 11.585 0.879 0.149 1.00 0.00 O ATOM 860 CB ASP A 56 14.365 1.584 1.710 1.00 0.00 C ATOM 861 CG ASP A 56 15.320 1.224 0.569 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.962 2.102 -0.008 1.00 0.00 O ATOM 863 OD2 ASP A 56 15.374 0.056 0.184 1.00 0.00 O1- ATOM 0 H ASP A 56 11.495 1.818 2.407 1.00 0.00 H new ATOM 0 HA ASP A 56 13.477 3.363 0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.898 2.176 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.034 0.671 2.206 1.00 0.00 H new ATOM 868 N GLU A 57 13.064 1.990 -1.130 1.00 0.00 N ATOM 869 CA GLU A 57 12.653 1.485 -2.416 1.00 0.00 C ATOM 870 C GLU A 57 12.818 -0.052 -2.529 1.00 0.00 C ATOM 871 O GLU A 57 11.980 -0.718 -3.116 1.00 0.00 O ATOM 872 CB GLU A 57 13.430 2.290 -3.482 1.00 0.00 C ATOM 873 CG GLU A 57 13.350 1.837 -4.931 1.00 0.00 C ATOM 874 CD GLU A 57 14.318 0.728 -5.210 1.00 0.00 C ATOM 875 OE1 GLU A 57 15.318 0.627 -4.461 1.00 0.00 O ATOM 876 OE2 GLU A 57 14.097 -0.034 -6.157 1.00 0.00 O1- ATOM 0 H GLU A 57 13.854 2.632 -1.196 1.00 0.00 H new ATOM 0 HA GLU A 57 11.584 1.629 -2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.082 3.322 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.481 2.295 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.337 1.503 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.560 2.680 -5.590 1.00 0.00 H new ATOM 883 N LYS A 58 13.845 -0.604 -1.895 1.00 0.00 N ATOM 884 CA LYS A 58 14.107 -2.062 -1.948 1.00 0.00 C ATOM 885 C LYS A 58 13.079 -2.783 -1.120 1.00 0.00 C ATOM 886 O LYS A 58 12.594 -3.844 -1.496 1.00 0.00 O ATOM 887 CB LYS A 58 15.507 -2.434 -1.415 1.00 0.00 C ATOM 888 CG LYS A 58 16.541 -2.861 -2.455 1.00 0.00 C ATOM 889 CD LYS A 58 16.980 -1.762 -3.443 1.00 0.00 C ATOM 890 CE LYS A 58 17.677 -0.545 -2.783 1.00 0.00 C ATOM 891 NZ LYS A 58 16.718 0.426 -2.194 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.516 -0.077 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 58 14.054 -2.358 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.904 -1.577 -0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.394 -3.244 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.424 -3.231 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.134 -3.696 -3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.658 -2.200 -4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.104 -1.411 -3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.352 -0.899 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.289 -0.036 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.169 1.361 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.875 0.493 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.438 0.105 -1.245 1.00 0.00 H new ATOM 905 N ALA A 59 12.734 -2.175 0.006 1.00 0.00 N ATOM 906 CA ALA A 59 11.725 -2.721 0.899 1.00 0.00 C ATOM 907 C ALA A 59 10.361 -2.682 0.218 1.00 0.00 C ATOM 908 O ALA A 59 9.485 -3.483 0.496 1.00 0.00 O ATOM 909 CB ALA A 59 11.700 -1.937 2.200 1.00 0.00 C ATOM 0 H ALA A 59 13.143 -1.296 0.324 1.00 0.00 H new ATOM 0 HA ALA A 59 11.970 -3.758 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.941 -2.354 2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.676 -2.000 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.465 -0.893 1.991 1.00 0.00 H new ATOM 915 N MET A 60 10.217 -1.738 -0.684 1.00 0.00 N ATOM 916 CA MET A 60 9.020 -1.596 -1.467 1.00 0.00 C ATOM 917 C MET A 60 8.984 -2.687 -2.545 1.00 0.00 C ATOM 918 O MET A 60 7.950 -3.269 -2.791 1.00 0.00 O ATOM 919 CB MET A 60 8.979 -0.205 -2.110 1.00 0.00 C ATOM 920 CG MET A 60 7.731 0.071 -2.929 1.00 0.00 C ATOM 921 SD MET A 60 7.781 1.661 -3.798 1.00 0.00 S ATOM 922 CE MET A 60 9.213 1.422 -4.859 1.00 0.00 C ATOM 0 H MET A 60 10.935 -1.044 -0.893 1.00 0.00 H new ATOM 0 HA MET A 60 8.147 -1.705 -0.823 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.057 0.547 -1.325 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.853 -0.089 -2.751 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.598 -0.729 -3.657 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.862 0.051 -2.272 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.302 2.264 -5.546 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.113 1.357 -4.247 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.094 0.500 -5.429 1.00 0.00 H new ATOM 932 N ARG A 61 10.148 -2.969 -3.145 1.00 0.00 N ATOM 933 CA ARG A 61 10.290 -3.992 -4.215 1.00 0.00 C ATOM 934 C ARG A 61 9.757 -5.333 -3.786 1.00 0.00 C ATOM 935 O ARG A 61 8.825 -5.848 -4.384 1.00 0.00 O ATOM 936 CB ARG A 61 11.755 -4.151 -4.658 1.00 0.00 C ATOM 937 CG ARG A 61 12.334 -2.932 -5.317 1.00 0.00 C ATOM 938 CD ARG A 61 11.604 -2.604 -6.596 1.00 0.00 C ATOM 939 NE ARG A 61 11.983 -1.298 -7.091 1.00 0.00 N ATOM 940 CZ ARG A 61 11.201 -0.514 -7.802 1.00 0.00 C ATOM 941 NH1 ARG A 61 10.013 -0.940 -8.230 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 11.599 0.702 -8.111 1.00 0.00 N ATOM 0 H ARG A 61 11.023 -2.500 -2.910 1.00 0.00 H new ATOM 0 HA ARG A 61 9.699 -3.632 -5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.361 -4.402 -3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.825 -4.992 -5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.276 -2.084 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.390 -3.098 -5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.825 -3.360 -7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.528 -2.633 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 61 12.921 -0.962 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.699 -1.885 -8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.417 -0.321 -8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.512 1.035 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.995 1.312 -8.662 1.00 0.00 H new ATOM 956 N ASP A 62 10.306 -5.861 -2.705 1.00 0.00 N ATOM 957 CA ASP A 62 9.906 -7.191 -2.200 1.00 0.00 C ATOM 958 C ASP A 62 8.401 -7.225 -1.884 1.00 0.00 C ATOM 959 O ASP A 62 7.727 -8.238 -2.059 1.00 0.00 O ATOM 960 CB ASP A 62 10.729 -7.564 -0.963 1.00 0.00 C ATOM 961 CG ASP A 62 10.463 -8.983 -0.484 1.00 0.00 C ATOM 962 OD1 ASP A 62 11.066 -9.922 -1.047 1.00 0.00 O ATOM 963 OD2 ASP A 62 9.677 -9.154 0.460 1.00 0.00 O1- ATOM 0 H ASP A 62 11.029 -5.401 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 62 10.104 -7.927 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.789 -7.455 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.503 -6.865 -0.158 1.00 0.00 H new ATOM 968 N ALA A 63 7.862 -6.067 -1.541 1.00 0.00 N ATOM 969 CA ALA A 63 6.470 -5.960 -1.208 1.00 0.00 C ATOM 970 C ALA A 63 5.608 -5.955 -2.469 1.00 0.00 C ATOM 971 O ALA A 63 4.531 -6.539 -2.492 1.00 0.00 O ATOM 972 CB ALA A 63 6.229 -4.711 -0.406 1.00 0.00 C ATOM 0 H ALA A 63 8.379 -5.189 -1.489 1.00 0.00 H new ATOM 0 HA ALA A 63 6.190 -6.827 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.170 -4.637 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.816 -4.749 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.526 -3.840 -0.991 1.00 0.00 H new ATOM 978 N ILE A 64 6.087 -5.311 -3.513 1.00 0.00 N ATOM 979 CA ILE A 64 5.346 -5.236 -4.763 1.00 0.00 C ATOM 980 C ILE A 64 5.433 -6.565 -5.478 1.00 0.00 C ATOM 981 O ILE A 64 4.417 -7.214 -5.714 1.00 0.00 O ATOM 982 CB ILE A 64 5.893 -4.129 -5.702 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.853 -2.768 -5.020 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.079 -4.083 -7.002 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.596 -1.702 -5.780 1.00 0.00 C ATOM 0 H ILE A 64 6.987 -4.830 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 64 4.313 -4.992 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 64 6.930 -4.369 -5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.814 -2.461 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.279 -2.857 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.474 -3.302 -7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.148 -5.045 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.036 -3.869 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.529 -0.757 -5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.643 -1.989 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.155 -1.587 -6.770 1.00 0.00 H new ATOM 997 N GLU A 65 6.650 -7.000 -5.731 1.00 0.00 N ATOM 998 CA GLU A 65 6.910 -8.212 -6.454 1.00 0.00 C ATOM 999 C GLU A 65 6.408 -9.466 -5.707 1.00 0.00 C ATOM 1000 O GLU A 65 6.182 -10.509 -6.320 1.00 0.00 O ATOM 1001 CB GLU A 65 8.411 -8.337 -6.805 1.00 0.00 C ATOM 1002 CG GLU A 65 8.941 -7.398 -7.928 1.00 0.00 C ATOM 1003 CD GLU A 65 9.010 -5.909 -7.576 1.00 0.00 C ATOM 1004 OE1 GLU A 65 8.028 -5.189 -7.809 1.00 0.00 O1- ATOM 1005 OE2 GLU A 65 10.070 -5.455 -7.094 1.00 0.00 O ATOM 0 H GLU A 65 7.493 -6.509 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 65 6.343 -8.153 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.990 -8.148 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.608 -9.368 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.939 -7.731 -8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.304 -7.515 -8.804 1.00 0.00 H new ATOM 1012 N GLY A 66 6.231 -9.355 -4.398 1.00 0.00 N ATOM 1013 CA GLY A 66 5.757 -10.479 -3.621 1.00 0.00 C ATOM 1014 C GLY A 66 4.250 -10.469 -3.354 1.00 0.00 C ATOM 1015 O GLY A 66 3.598 -11.496 -3.468 1.00 0.00 O ATOM 0 H GLY A 66 6.408 -8.506 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.016 -11.401 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.283 -10.494 -2.667 1.00 0.00 H new ATOM 1019 N MET A 67 3.692 -9.308 -3.031 1.00 0.00 N ATOM 1020 CA MET A 67 2.274 -9.230 -2.612 1.00 0.00 C ATOM 1021 C MET A 67 1.317 -8.940 -3.767 1.00 0.00 C ATOM 1022 O MET A 67 0.097 -8.999 -3.593 1.00 0.00 O ATOM 1023 CB MET A 67 2.086 -8.155 -1.528 1.00 0.00 C ATOM 1024 CG MET A 67 2.771 -8.442 -0.194 1.00 0.00 C ATOM 1025 SD MET A 67 1.949 -9.716 0.795 1.00 0.00 S ATOM 1026 CE MET A 67 0.389 -8.919 1.171 1.00 0.00 C ATOM 0 H MET A 67 4.181 -8.413 -3.046 1.00 0.00 H new ATOM 0 HA MET A 67 2.027 -10.216 -2.218 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.461 -7.206 -1.913 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.018 -8.027 -1.349 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.799 -8.751 -0.384 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.817 -7.520 0.385 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.100 -9.151 2.196 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.495 -7.840 1.059 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.379 -9.281 0.487 1.00 0.00 H new ATOM 1036 N ASN A 68 1.839 -8.612 -4.927 1.00 0.00 N ATOM 1037 CA ASN A 68 0.978 -8.255 -6.060 1.00 0.00 C ATOM 1038 C ASN A 68 0.285 -9.482 -6.634 1.00 0.00 C ATOM 1039 O ASN A 68 0.938 -10.393 -7.131 1.00 0.00 O ATOM 1040 CB ASN A 68 1.782 -7.570 -7.171 1.00 0.00 C ATOM 1041 CG ASN A 68 0.914 -7.075 -8.317 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.234 -6.677 -8.124 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.453 -7.092 -9.513 1.00 0.00 N ATOM 0 H ASN A 68 2.840 -8.581 -5.122 1.00 0.00 H new ATOM 0 HA ASN A 68 0.225 -7.563 -5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.330 -6.728 -6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.522 -8.269 -7.560 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.917 -6.769 -10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.408 -7.429 -9.637 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.029 -9.506 -6.557 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.774 -10.585 -7.142 1.00 0.00 C ATOM 1052 C GLY A 69 -2.409 -11.498 -6.123 1.00 0.00 C ATOM 1053 O GLY A 69 -3.429 -12.144 -6.409 1.00 0.00 O ATOM 0 H GLY A 69 -1.594 -8.793 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.552 -10.173 -7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.111 -11.170 -7.780 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.846 -11.559 -4.934 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.382 -12.450 -3.921 1.00 0.00 C ATOM 1059 C GLN A 70 -3.583 -11.841 -3.221 1.00 0.00 C ATOM 1060 O GLN A 70 -3.937 -10.679 -3.455 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.340 -12.871 -2.884 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.761 -11.740 -2.066 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.007 -12.254 -0.868 1.00 0.00 C ATOM 1064 OE1 GLN A 70 1.173 -12.521 -0.932 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -0.698 -12.400 0.239 1.00 0.00 N ATOM 0 H GLN A 70 -1.033 -11.014 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.696 -13.346 -4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.795 -13.594 -2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.526 -13.383 -3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.094 -11.144 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.564 -11.080 -1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.690 -12.165 0.255 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.242 -12.748 1.082 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.195 -12.623 -2.368 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.346 -12.181 -1.620 1.00 0.00 C ATOM 1076 C ASP A 71 -4.896 -11.491 -0.360 1.00 0.00 C ATOM 1077 O ASP A 71 -3.857 -11.858 0.238 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.259 -13.367 -1.243 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.537 -12.929 -0.511 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.488 -12.644 0.720 1.00 0.00 O1- ATOM 1081 OD2 ASP A 71 -8.582 -12.848 -1.157 1.00 0.00 O ATOM 0 H ASP A 71 -3.910 -13.583 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.911 -11.492 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.533 -13.910 -2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.704 -14.060 -0.611 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.605 -10.477 -0.013 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.458 -9.810 1.222 1.00 0.00 C ATOM 1088 C LEU A 72 -6.834 -9.398 1.686 1.00 0.00 C ATOM 1089 O LEU A 72 -7.478 -8.555 1.051 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.534 -8.588 1.109 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.315 -7.785 2.406 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.684 -8.653 3.488 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.461 -6.557 2.138 1.00 0.00 C ATOM 0 H LEU A 72 -6.331 -10.077 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.992 -10.481 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.563 -8.924 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.943 -7.917 0.354 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.289 -7.455 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.541 -8.061 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.340 -9.496 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.720 -9.024 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.318 -6.004 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.492 -6.866 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.960 -5.919 1.408 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.304 -10.077 2.729 1.00 0.00 N ATOM 1106 CA ASP A 73 -8.574 -9.768 3.419 1.00 0.00 C ATOM 1107 C ASP A 73 -9.805 -10.060 2.502 1.00 0.00 C ATOM 1108 O ASP A 73 -10.918 -9.561 2.707 1.00 0.00 O ATOM 1109 CB ASP A 73 -8.497 -8.279 3.921 1.00 0.00 C ATOM 1110 CG ASP A 73 -9.719 -7.739 4.648 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -10.011 -8.201 5.751 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -10.360 -6.783 4.115 1.00 0.00 O ATOM 0 H ASP A 73 -6.811 -10.874 3.133 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.716 -10.416 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.638 -8.188 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.303 -7.639 3.060 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.625 -10.977 1.557 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.718 -11.354 0.691 1.00 0.00 C ATOM 1119 C GLY A 74 -10.711 -10.629 -0.644 1.00 0.00 C ATOM 1120 O GLY A 74 -11.760 -10.553 -1.336 1.00 0.00 O ATOM 0 H GLY A 74 -8.745 -11.462 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.676 -12.428 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.661 -11.153 1.200 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.600 -10.020 -0.988 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.475 -9.391 -2.276 1.00 0.00 C ATOM 1126 C ARG A 75 -8.096 -9.638 -2.849 1.00 0.00 C ATOM 1127 O ARG A 75 -7.116 -9.615 -2.114 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.673 -7.894 -2.181 1.00 0.00 C ATOM 1129 CG ARG A 75 -10.112 -7.267 -3.483 1.00 0.00 C ATOM 1130 CD ARG A 75 -11.605 -7.425 -3.655 1.00 0.00 C ATOM 1131 NE ARG A 75 -12.333 -6.578 -2.690 1.00 0.00 N ATOM 1132 CZ ARG A 75 -13.256 -6.989 -1.817 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -13.376 -8.281 -1.519 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -13.975 -6.087 -1.144 1.00 0.00 N ATOM 0 H ARG A 75 -8.774 -9.948 -0.394 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.243 -9.822 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.417 -7.681 -1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.741 -7.431 -1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.846 -6.210 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.590 -7.737 -4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.890 -7.154 -4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.884 -8.469 -3.513 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.109 -5.583 -2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.760 -8.965 -1.959 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.084 -8.587 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.817 -5.091 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.682 -6.394 -0.476 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.017 -9.863 -4.142 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.729 -9.917 -4.822 1.00 0.00 C ATOM 1150 C ASN A 76 -6.241 -8.508 -4.996 1.00 0.00 C ATOM 1151 O ASN A 76 -6.806 -7.732 -5.775 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.811 -10.610 -6.195 1.00 0.00 C ATOM 1153 CG ASN A 76 -7.152 -12.081 -6.116 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -8.316 -12.457 -6.129 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -6.148 -12.924 -6.075 1.00 0.00 N ATOM 0 H ASN A 76 -8.824 -10.012 -4.748 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.042 -10.507 -4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.562 -10.105 -6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.856 -10.495 -6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.326 -13.928 -6.053 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.189 -12.575 -6.065 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.237 -8.175 -4.258 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.697 -6.845 -4.253 1.00 0.00 C ATOM 1164 C ILE A 77 -3.719 -6.634 -5.396 1.00 0.00 C ATOM 1165 O ILE A 77 -2.936 -7.528 -5.754 1.00 0.00 O ATOM 1166 CB ILE A 77 -3.993 -6.521 -2.919 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -2.986 -7.625 -2.570 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.023 -6.355 -1.809 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.037 -7.266 -1.462 1.00 0.00 C ATOM 0 H ILE A 77 -4.758 -8.822 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.543 -6.170 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.448 -5.583 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.533 -8.524 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.409 -7.870 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.515 -6.127 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.702 -5.540 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.590 -7.279 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.360 -8.100 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.460 -6.386 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.602 -7.051 -0.555 1.00 0.00 H new ATOM 1181 N THR A 78 -3.776 -5.475 -5.963 1.00 0.00 N ATOM 1182 CA THR A 78 -2.895 -5.094 -7.012 1.00 0.00 C ATOM 1183 C THR A 78 -1.908 -4.083 -6.442 1.00 0.00 C ATOM 1184 O THR A 78 -2.291 -2.975 -6.041 1.00 0.00 O ATOM 1185 CB THR A 78 -3.693 -4.461 -8.165 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.757 -5.349 -8.529 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.802 -4.218 -9.379 1.00 0.00 C ATOM 0 H THR A 78 -4.449 -4.754 -5.704 1.00 0.00 H new ATOM 0 HA THR A 78 -2.367 -5.964 -7.403 1.00 0.00 H new ATOM 0 HB THR A 78 -4.090 -3.501 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.275 -4.956 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.391 -3.770 -10.179 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.990 -3.544 -9.105 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.387 -5.166 -9.721 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.669 -4.458 -6.409 1.00 0.00 N ATOM 1196 CA VAL A 79 0.363 -3.651 -5.808 1.00 0.00 C ATOM 1197 C VAL A 79 1.292 -3.152 -6.901 1.00 0.00 C ATOM 1198 O VAL A 79 1.738 -3.931 -7.735 1.00 0.00 O ATOM 1199 CB VAL A 79 1.174 -4.485 -4.766 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.198 -3.629 -4.051 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.252 -5.154 -3.756 1.00 0.00 C ATOM 0 H VAL A 79 -0.335 -5.339 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.094 -2.808 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 79 1.702 -5.262 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.745 -4.240 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.895 -3.212 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.692 -2.818 -3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.846 -5.727 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.317 -4.393 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.434 -5.822 -4.276 1.00 0.00 H new ATOM 1211 N ASN A 80 1.540 -1.862 -6.932 1.00 0.00 N ATOM 1212 CA ASN A 80 2.431 -1.292 -7.928 1.00 0.00 C ATOM 1213 C ASN A 80 3.184 -0.107 -7.353 1.00 0.00 C ATOM 1214 O ASN A 80 2.866 0.381 -6.257 1.00 0.00 O ATOM 1215 CB ASN A 80 1.682 -0.877 -9.216 1.00 0.00 C ATOM 1216 CG ASN A 80 0.690 0.258 -9.015 1.00 0.00 C ATOM 1217 OD1 ASN A 80 1.034 1.419 -9.122 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.545 -0.074 -8.743 1.00 0.00 N ATOM 0 H ASN A 80 1.140 -1.185 -6.282 1.00 0.00 H new ATOM 0 HA ASN A 80 3.143 -2.070 -8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.412 -0.579 -9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.152 -1.744 -9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.251 0.651 -8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.802 -1.058 -8.660 1.00 0.00 H new ATOM 1225 N GLU A 81 4.168 0.347 -8.079 1.00 0.00 N ATOM 1226 CA GLU A 81 4.999 1.449 -7.667 1.00 0.00 C ATOM 1227 C GLU A 81 4.272 2.766 -7.951 1.00 0.00 C ATOM 1228 O GLU A 81 4.022 3.095 -9.106 1.00 0.00 O ATOM 1229 CB GLU A 81 6.301 1.410 -8.459 1.00 0.00 C ATOM 1230 CG GLU A 81 7.322 2.426 -8.022 1.00 0.00 C ATOM 1231 CD GLU A 81 8.466 2.537 -8.986 1.00 0.00 C ATOM 1232 OE1 GLU A 81 9.273 1.608 -9.076 1.00 0.00 O1- ATOM 1233 OE2 GLU A 81 8.560 3.560 -9.663 1.00 0.00 O ATOM 0 H GLU A 81 4.420 -0.043 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 81 5.212 1.374 -6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.736 0.414 -8.372 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.076 1.569 -9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.842 3.399 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.704 2.153 -7.038 1.00 0.00 H new ATOM 1240 N ALA A 82 3.987 3.540 -6.908 1.00 0.00 N ATOM 1241 CA ALA A 82 3.249 4.796 -7.077 1.00 0.00 C ATOM 1242 C ALA A 82 4.143 5.897 -7.642 1.00 0.00 C ATOM 1243 O ALA A 82 3.675 6.969 -7.994 1.00 0.00 O ATOM 1244 CB ALA A 82 2.599 5.237 -5.773 1.00 0.00 C ATOM 0 H ALA A 82 4.250 3.327 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 82 2.454 4.611 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.060 6.171 -5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.903 4.469 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.368 5.387 -5.016 1.00 0.00 H new ATOM 1250 N GLN A 83 5.439 5.611 -7.725 1.00 0.00 N ATOM 1251 CA GLN A 83 6.404 6.529 -8.321 1.00 0.00 C ATOM 1252 C GLN A 83 6.193 6.536 -9.851 1.00 0.00 C ATOM 1253 O GLN A 83 6.602 7.460 -10.553 1.00 0.00 O ATOM 1254 CB GLN A 83 7.828 6.079 -7.985 1.00 0.00 C ATOM 1255 CG GLN A 83 8.915 7.039 -8.441 1.00 0.00 C ATOM 1256 CD GLN A 83 10.318 6.475 -8.297 1.00 0.00 C ATOM 1257 OE1 GLN A 83 11.260 7.209 -8.069 1.00 0.00 O ATOM 1258 NE2 GLN A 83 10.482 5.192 -8.520 1.00 0.00 N ATOM 0 H GLN A 83 5.848 4.741 -7.383 1.00 0.00 H new ATOM 0 HA GLN A 83 6.259 7.534 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.908 5.945 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.005 5.105 -8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.743 7.302 -9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.841 7.961 -7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.673 4.600 -8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.418 4.787 -8.505 1.00 0.00 H new ATOM 1267 N SER A 84 5.541 5.475 -10.329 1.00 0.00 N ATOM 1268 CA SER A 84 5.161 5.281 -11.716 1.00 0.00 C ATOM 1269 C SER A 84 6.346 5.033 -12.666 1.00 0.00 C ATOM 1270 O SER A 84 6.723 5.895 -13.482 1.00 0.00 O ATOM 1271 CB SER A 84 4.251 6.404 -12.211 1.00 0.00 C ATOM 1272 OG SER A 84 3.126 6.549 -11.354 1.00 0.00 O ATOM 0 H SER A 84 5.255 4.700 -9.731 1.00 0.00 H new ATOM 0 HA SER A 84 4.589 4.353 -11.735 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.808 7.340 -12.251 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.917 6.188 -13.226 1.00 0.00 H new ATOM 0 HG SER A 84 2.554 7.273 -11.684 1.00 0.00 H new ATOM 1278 N ARG A 85 7.020 3.927 -12.445 1.00 0.00 N ATOM 1279 CA ARG A 85 8.025 3.394 -13.350 1.00 0.00 C ATOM 1280 C ARG A 85 7.645 1.975 -13.726 1.00 0.00 C ATOM 1281 O ARG A 85 6.776 1.378 -13.080 1.00 0.00 O ATOM 1282 CB ARG A 85 9.438 3.395 -12.735 1.00 0.00 C ATOM 1283 CG ARG A 85 10.123 4.751 -12.674 1.00 0.00 C ATOM 1284 CD ARG A 85 9.442 5.725 -11.745 1.00 0.00 C ATOM 1285 NE ARG A 85 10.097 7.040 -11.730 1.00 0.00 N ATOM 1286 CZ ARG A 85 9.524 8.184 -12.141 1.00 0.00 C ATOM 1287 NH1 ARG A 85 8.334 8.163 -12.758 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 10.153 9.347 -11.947 1.00 0.00 N ATOM 0 H ARG A 85 6.884 3.356 -11.611 1.00 0.00 H new ATOM 0 HA ARG A 85 8.053 4.039 -14.228 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.376 2.993 -11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.066 2.715 -13.310 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.155 4.614 -12.352 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.156 5.179 -13.676 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.402 5.844 -12.048 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.435 5.315 -10.735 1.00 0.00 H new ATOM 0 HE ARG A 85 11.055 7.088 -11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.858 7.275 -12.918 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.905 9.035 -13.067 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.064 9.364 -11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.722 10.218 -12.257 1.00 0.00 H new TER 1302 ARG A 85