USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 338 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 711 SER OG : rot 180:sc= 0 USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 719 SER OG : rot 43:sc= -0.913 USER MOD Single : A 721 TYR OH : rot 180:sc= 0 USER MOD Single : A 722 SER OG : rot 180:sc= 0 USER MOD Single : A 724 TYR OH : rot 180:sc= 0 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.1!) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 732 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00172) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 HIS : no HD1:sc= 0.194 K(o=0.19,f=-1.4) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 746 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 750 ASN : amide:sc= -0.0609 X(o=-0.061,f=0) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 -23.790 9.558 -4.627 1.00 0.00 N ATOM 2 CA SER A 711 -23.597 10.976 -5.025 1.00 0.00 C ATOM 3 C SER A 711 -22.494 11.634 -4.203 1.00 0.00 C ATOM 4 O SER A 711 -22.766 12.360 -3.247 1.00 0.00 O ATOM 5 CB SER A 711 -24.919 11.721 -4.828 1.00 0.00 C ATOM 6 OG SER A 711 -25.068 12.758 -5.782 1.00 0.00 O ATOM 0 HA SER A 711 -23.294 11.017 -6.071 1.00 0.00 H new ATOM 0 HB2 SER A 711 -25.750 11.021 -4.914 1.00 0.00 H new ATOM 0 HB3 SER A 711 -24.958 12.140 -3.822 1.00 0.00 H new ATOM 0 HG SER A 711 -25.921 13.217 -5.635 1.00 0.00 H new ATOM 12 N LYS A 712 -21.246 11.375 -4.581 1.00 0.00 N ATOM 13 CA LYS A 712 -20.102 11.941 -3.878 1.00 0.00 C ATOM 14 C LYS A 712 -19.534 13.136 -4.638 1.00 0.00 C ATOM 15 O LYS A 712 -18.706 12.978 -5.535 1.00 0.00 O ATOM 16 CB LYS A 712 -19.016 10.881 -3.690 1.00 0.00 C ATOM 17 CG LYS A 712 -18.090 11.160 -2.517 1.00 0.00 C ATOM 18 CD LYS A 712 -16.699 10.598 -2.760 1.00 0.00 C ATOM 19 CE LYS A 712 -15.903 10.504 -1.469 1.00 0.00 C ATOM 20 NZ LYS A 712 -14.468 10.193 -1.722 1.00 0.00 N ATOM 0 H LYS A 712 -21.002 10.777 -5.370 1.00 0.00 H new ATOM 0 HA LYS A 712 -20.441 12.281 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -19.489 9.910 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -18.423 10.814 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -18.025 12.235 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -18.507 10.722 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 712 -16.779 9.609 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 712 -16.168 11.232 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -15.980 11.446 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 712 -16.335 9.732 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 -13.960 10.137 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -14.392 9.282 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -14.049 10.942 -2.309 1.00 0.00 H new ATOM 34 N LEU A 713 -19.985 14.332 -4.273 1.00 0.00 N ATOM 35 CA LEU A 713 -19.522 15.554 -4.919 1.00 0.00 C ATOM 36 C LEU A 713 -19.856 15.541 -6.408 1.00 0.00 C ATOM 37 O LEU A 713 -18.985 15.749 -7.254 1.00 0.00 O ATOM 38 CB LEU A 713 -18.013 15.720 -4.721 1.00 0.00 C ATOM 39 CG LEU A 713 -17.603 16.399 -3.412 1.00 0.00 C ATOM 40 CD1 LEU A 713 -18.030 17.858 -3.412 1.00 0.00 C ATOM 41 CD2 LEU A 713 -18.202 15.666 -2.222 1.00 0.00 C ATOM 0 H LEU A 713 -20.671 14.480 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 713 -20.035 16.398 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 713 -17.546 14.736 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 713 -17.614 16.299 -5.554 1.00 0.00 H new ATOM 0 HG LEU A 713 -16.517 16.360 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 713 -17.730 18.325 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 713 -17.553 18.377 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 713 -19.113 17.920 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 713 -17.900 16.162 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 713 -19.289 15.674 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 713 -17.846 14.636 -2.213 1.00 0.00 H new ATOM 53 N GLU A 714 -21.124 15.298 -6.722 1.00 0.00 N ATOM 54 CA GLU A 714 -21.574 15.258 -8.109 1.00 0.00 C ATOM 55 C GLU A 714 -20.852 14.162 -8.884 1.00 0.00 C ATOM 56 O GLU A 714 -19.901 14.429 -9.618 1.00 0.00 O ATOM 57 CB GLU A 714 -21.342 16.613 -8.782 1.00 0.00 C ATOM 58 CG GLU A 714 -22.146 16.805 -10.056 1.00 0.00 C ATOM 59 CD GLU A 714 -22.642 18.228 -10.223 1.00 0.00 C ATOM 60 OE1 GLU A 714 -22.949 18.874 -9.199 1.00 0.00 O ATOM 61 OE2 GLU A 714 -22.723 18.698 -11.378 1.00 0.00 O ATOM 0 H GLU A 714 -21.858 15.126 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 714 -22.641 15.037 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 714 -21.596 17.406 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 714 -20.282 16.718 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 714 -21.530 16.536 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 714 -22.998 16.125 -10.049 1.00 0.00 H new ATOM 68 N GLY A 715 -21.311 12.925 -8.716 1.00 0.00 N ATOM 69 CA GLY A 715 -20.696 11.805 -9.406 1.00 0.00 C ATOM 70 C GLY A 715 -21.700 10.992 -10.199 1.00 0.00 C ATOM 71 O GLY A 715 -21.862 9.794 -9.965 1.00 0.00 O ATOM 0 H GLY A 715 -22.097 12.679 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -19.922 12.176 -10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -20.204 11.160 -8.678 1.00 0.00 H new ATOM 75 N SER A 716 -22.376 11.644 -11.139 1.00 0.00 N ATOM 76 CA SER A 716 -23.370 10.973 -11.969 1.00 0.00 C ATOM 77 C SER A 716 -22.770 10.563 -13.311 1.00 0.00 C ATOM 78 O SER A 716 -23.418 10.674 -14.352 1.00 0.00 O ATOM 79 CB SER A 716 -24.578 11.886 -12.193 1.00 0.00 C ATOM 80 OG SER A 716 -25.540 11.720 -11.166 1.00 0.00 O ATOM 0 H SER A 716 -22.254 12.635 -11.345 1.00 0.00 H new ATOM 0 HA SER A 716 -23.696 10.073 -11.447 1.00 0.00 H new ATOM 0 HB2 SER A 716 -24.251 12.925 -12.225 1.00 0.00 H new ATOM 0 HB3 SER A 716 -25.031 11.664 -13.159 1.00 0.00 H new ATOM 0 HG SER A 716 -26.301 12.315 -11.331 1.00 0.00 H new ATOM 86 N GLU A 717 -21.526 10.089 -13.276 1.00 0.00 N ATOM 87 CA GLU A 717 -20.827 9.657 -14.481 1.00 0.00 C ATOM 88 C GLU A 717 -20.996 10.665 -15.606 1.00 0.00 C ATOM 89 O GLU A 717 -21.080 10.301 -16.779 1.00 0.00 O ATOM 90 CB GLU A 717 -21.323 8.278 -14.914 1.00 0.00 C ATOM 91 CG GLU A 717 -22.749 8.276 -15.441 1.00 0.00 C ATOM 92 CD GLU A 717 -23.122 6.968 -16.109 1.00 0.00 C ATOM 93 OE1 GLU A 717 -22.472 5.943 -15.812 1.00 0.00 O ATOM 94 OE2 GLU A 717 -24.065 6.967 -16.928 1.00 0.00 O ATOM 0 H GLU A 717 -20.980 9.995 -12.420 1.00 0.00 H new ATOM 0 HA GLU A 717 -19.763 9.591 -14.252 1.00 0.00 H new ATOM 0 HB2 GLU A 717 -20.660 7.890 -15.687 1.00 0.00 H new ATOM 0 HB3 GLU A 717 -21.258 7.596 -14.066 1.00 0.00 H new ATOM 0 HG2 GLU A 717 -23.437 8.468 -14.618 1.00 0.00 H new ATOM 0 HG3 GLU A 717 -22.870 9.091 -16.154 1.00 0.00 H new ATOM 101 N ASP A 718 -21.031 11.937 -15.236 1.00 0.00 N ATOM 102 CA ASP A 718 -21.175 13.007 -16.210 1.00 0.00 C ATOM 103 C ASP A 718 -19.885 13.800 -16.332 1.00 0.00 C ATOM 104 O ASP A 718 -19.548 14.608 -15.467 1.00 0.00 O ATOM 105 CB ASP A 718 -22.317 13.942 -15.834 1.00 0.00 C ATOM 106 CG ASP A 718 -23.571 13.196 -15.423 1.00 0.00 C ATOM 107 OD1 ASP A 718 -23.990 12.283 -16.166 1.00 0.00 O ATOM 108 OD2 ASP A 718 -24.135 13.524 -14.357 1.00 0.00 O ATOM 0 H ASP A 718 -20.962 12.252 -14.268 1.00 0.00 H new ATOM 0 HA ASP A 718 -21.403 12.547 -17.172 1.00 0.00 H new ATOM 0 HB2 ASP A 718 -21.998 14.588 -15.016 1.00 0.00 H new ATOM 0 HB3 ASP A 718 -22.545 14.589 -16.681 1.00 0.00 H new ATOM 113 N SER A 719 -19.169 13.556 -17.415 1.00 0.00 N ATOM 114 CA SER A 719 -17.909 14.234 -17.675 1.00 0.00 C ATOM 115 C SER A 719 -17.493 14.068 -19.134 1.00 0.00 C ATOM 116 O SER A 719 -16.795 13.118 -19.486 1.00 0.00 O ATOM 117 CB SER A 719 -16.818 13.688 -16.756 1.00 0.00 C ATOM 118 OG SER A 719 -16.682 14.487 -15.593 1.00 0.00 O ATOM 0 H SER A 719 -19.441 12.887 -18.135 1.00 0.00 H new ATOM 0 HA SER A 719 -18.046 15.297 -17.475 1.00 0.00 H new ATOM 0 HB2 SER A 719 -17.058 12.664 -16.471 1.00 0.00 H new ATOM 0 HB3 SER A 719 -15.869 13.656 -17.292 1.00 0.00 H new ATOM 0 HG SER A 719 -17.570 14.717 -15.249 1.00 0.00 H new ATOM 124 N LEU A 720 -17.927 15.000 -19.976 1.00 0.00 N ATOM 125 CA LEU A 720 -17.599 14.957 -21.398 1.00 0.00 C ATOM 126 C LEU A 720 -16.214 15.542 -21.660 1.00 0.00 C ATOM 127 O LEU A 720 -15.579 15.231 -22.667 1.00 0.00 O ATOM 128 CB LEU A 720 -18.649 15.717 -22.209 1.00 0.00 C ATOM 129 CG LEU A 720 -20.101 15.425 -21.823 1.00 0.00 C ATOM 130 CD1 LEU A 720 -20.634 16.503 -20.892 1.00 0.00 C ATOM 131 CD2 LEU A 720 -20.972 15.313 -23.065 1.00 0.00 C ATOM 0 H LEU A 720 -18.506 15.793 -19.700 1.00 0.00 H new ATOM 0 HA LEU A 720 -17.595 13.913 -21.710 1.00 0.00 H new ATOM 0 HB2 LEU A 720 -18.468 16.786 -22.099 1.00 0.00 H new ATOM 0 HB3 LEU A 720 -18.514 15.478 -23.264 1.00 0.00 H new ATOM 0 HG LEU A 720 -20.131 14.471 -21.296 1.00 0.00 H new ATOM 0 HD11 LEU A 720 -21.668 16.278 -20.629 1.00 0.00 H new ATOM 0 HD12 LEU A 720 -20.028 16.534 -19.987 1.00 0.00 H new ATOM 0 HD13 LEU A 720 -20.589 17.470 -21.392 1.00 0.00 H new ATOM 0 HD21 LEU A 720 -22.001 15.105 -22.770 1.00 0.00 H new ATOM 0 HD22 LEU A 720 -20.936 16.250 -23.620 1.00 0.00 H new ATOM 0 HD23 LEU A 720 -20.604 14.503 -23.695 1.00 0.00 H new ATOM 143 N TYR A 721 -15.752 16.389 -20.747 1.00 0.00 N ATOM 144 CA TYR A 721 -14.443 17.017 -20.880 1.00 0.00 C ATOM 145 C TYR A 721 -13.476 16.507 -19.817 1.00 0.00 C ATOM 146 O TYR A 721 -12.259 16.555 -19.996 1.00 0.00 O ATOM 147 CB TYR A 721 -14.572 18.538 -20.780 1.00 0.00 C ATOM 148 CG TYR A 721 -15.312 19.160 -21.944 1.00 0.00 C ATOM 149 CD1 TYR A 721 -16.699 19.125 -22.007 1.00 0.00 C ATOM 150 CD2 TYR A 721 -14.623 19.783 -22.977 1.00 0.00 C ATOM 151 CE1 TYR A 721 -17.378 19.693 -23.068 1.00 0.00 C ATOM 152 CE2 TYR A 721 -15.296 20.353 -24.040 1.00 0.00 C ATOM 153 CZ TYR A 721 -16.673 20.305 -24.082 1.00 0.00 C ATOM 154 OH TYR A 721 -17.346 20.871 -25.140 1.00 0.00 O ATOM 0 H TYR A 721 -16.265 16.656 -19.907 1.00 0.00 H new ATOM 0 HA TYR A 721 -14.044 16.754 -21.860 1.00 0.00 H new ATOM 0 HB2 TYR A 721 -15.089 18.790 -19.854 1.00 0.00 H new ATOM 0 HB3 TYR A 721 -13.576 18.976 -20.718 1.00 0.00 H new ATOM 0 HD1 TYR A 721 -17.255 18.647 -21.215 1.00 0.00 H new ATOM 0 HD2 TYR A 721 -13.544 19.822 -22.948 1.00 0.00 H new ATOM 0 HE1 TYR A 721 -18.457 19.658 -23.103 1.00 0.00 H new ATOM 0 HE2 TYR A 721 -14.746 20.834 -24.835 1.00 0.00 H new ATOM 0 HH TYR A 721 -16.701 21.261 -25.767 1.00 0.00 H new ATOM 164 N SER A 722 -14.024 16.019 -18.710 1.00 0.00 N ATOM 165 CA SER A 722 -13.211 15.501 -17.617 1.00 0.00 C ATOM 166 C SER A 722 -12.475 14.229 -18.033 1.00 0.00 C ATOM 167 O SER A 722 -11.457 13.869 -17.443 1.00 0.00 O ATOM 168 CB SER A 722 -14.082 15.225 -16.390 1.00 0.00 C ATOM 169 OG SER A 722 -13.476 15.726 -15.211 1.00 0.00 O ATOM 0 H SER A 722 -15.030 15.971 -18.546 1.00 0.00 H new ATOM 0 HA SER A 722 -12.469 16.258 -17.364 1.00 0.00 H new ATOM 0 HB2 SER A 722 -15.061 15.686 -16.524 1.00 0.00 H new ATOM 0 HB3 SER A 722 -14.246 14.152 -16.291 1.00 0.00 H new ATOM 0 HG SER A 722 -14.053 15.539 -14.441 1.00 0.00 H new ATOM 175 N ASP A 723 -12.999 13.555 -19.050 1.00 0.00 N ATOM 176 CA ASP A 723 -12.393 12.324 -19.543 1.00 0.00 C ATOM 177 C ASP A 723 -10.995 12.584 -20.087 1.00 0.00 C ATOM 178 O ASP A 723 -10.111 11.733 -19.997 1.00 0.00 O ATOM 179 CB ASP A 723 -13.269 11.697 -20.629 1.00 0.00 C ATOM 180 CG ASP A 723 -14.347 10.798 -20.055 1.00 0.00 C ATOM 181 OD1 ASP A 723 -14.054 10.064 -19.088 1.00 0.00 O ATOM 182 OD2 ASP A 723 -15.483 10.827 -20.573 1.00 0.00 O ATOM 0 H ASP A 723 -13.842 13.840 -19.549 1.00 0.00 H new ATOM 0 HA ASP A 723 -12.313 11.630 -18.707 1.00 0.00 H new ATOM 0 HB2 ASP A 723 -13.734 12.487 -21.218 1.00 0.00 H new ATOM 0 HB3 ASP A 723 -12.642 11.120 -21.309 1.00 0.00 H new ATOM 187 N TYR A 724 -10.806 13.767 -20.650 1.00 0.00 N ATOM 188 CA TYR A 724 -9.518 14.152 -21.214 1.00 0.00 C ATOM 189 C TYR A 724 -8.447 14.222 -20.130 1.00 0.00 C ATOM 190 O TYR A 724 -7.270 13.968 -20.388 1.00 0.00 O ATOM 191 CB TYR A 724 -9.631 15.503 -21.924 1.00 0.00 C ATOM 192 CG TYR A 724 -10.500 15.466 -23.160 1.00 0.00 C ATOM 193 CD1 TYR A 724 -11.880 15.595 -23.067 1.00 0.00 C ATOM 194 CD2 TYR A 724 -9.939 15.303 -24.421 1.00 0.00 C ATOM 195 CE1 TYR A 724 -12.677 15.561 -24.195 1.00 0.00 C ATOM 196 CE2 TYR A 724 -10.730 15.269 -25.554 1.00 0.00 C ATOM 197 CZ TYR A 724 -12.098 15.399 -25.436 1.00 0.00 C ATOM 198 OH TYR A 724 -12.889 15.365 -26.562 1.00 0.00 O ATOM 0 H TYR A 724 -11.530 14.481 -20.730 1.00 0.00 H new ATOM 0 HA TYR A 724 -9.226 13.392 -21.939 1.00 0.00 H new ATOM 0 HB2 TYR A 724 -10.036 16.237 -21.227 1.00 0.00 H new ATOM 0 HB3 TYR A 724 -8.633 15.843 -22.202 1.00 0.00 H new ATOM 0 HD1 TYR A 724 -12.337 15.724 -22.097 1.00 0.00 H new ATOM 0 HD2 TYR A 724 -8.868 15.201 -24.517 1.00 0.00 H new ATOM 0 HE1 TYR A 724 -13.749 15.661 -24.105 1.00 0.00 H new ATOM 0 HE2 TYR A 724 -10.279 15.141 -26.527 1.00 0.00 H new ATOM 0 HH TYR A 724 -12.325 15.246 -27.355 1.00 0.00 H new ATOM 208 N VAL A 725 -8.863 14.561 -18.915 1.00 0.00 N ATOM 209 CA VAL A 725 -7.948 14.657 -17.788 1.00 0.00 C ATOM 210 C VAL A 725 -7.643 13.278 -17.242 1.00 0.00 C ATOM 211 O VAL A 725 -6.491 12.854 -17.164 1.00 0.00 O ATOM 212 CB VAL A 725 -8.544 15.508 -16.652 1.00 0.00 C ATOM 213 CG1 VAL A 725 -7.454 16.269 -15.915 1.00 0.00 C ATOM 214 CG2 VAL A 725 -9.609 16.454 -17.175 1.00 0.00 C ATOM 0 H VAL A 725 -9.834 14.775 -18.687 1.00 0.00 H new ATOM 0 HA VAL A 725 -7.036 15.132 -18.151 1.00 0.00 H new ATOM 0 HB VAL A 725 -9.021 14.831 -15.943 1.00 0.00 H new ATOM 0 HG11 VAL A 725 -7.900 16.863 -15.117 1.00 0.00 H new ATOM 0 HG12 VAL A 725 -6.743 15.563 -15.487 1.00 0.00 H new ATOM 0 HG13 VAL A 725 -6.936 16.928 -16.611 1.00 0.00 H new ATOM 0 HG21 VAL A 725 -10.011 17.041 -16.350 1.00 0.00 H new ATOM 0 HG22 VAL A 725 -9.170 17.122 -17.916 1.00 0.00 H new ATOM 0 HG23 VAL A 725 -10.412 15.879 -17.636 1.00 0.00 H new ATOM 224 N ASP A 726 -8.706 12.592 -16.863 1.00 0.00 N ATOM 225 CA ASP A 726 -8.607 11.245 -16.307 1.00 0.00 C ATOM 226 C ASP A 726 -7.784 10.333 -17.213 1.00 0.00 C ATOM 227 O ASP A 726 -6.786 9.754 -16.785 1.00 0.00 O ATOM 228 CB ASP A 726 -10.002 10.653 -16.101 1.00 0.00 C ATOM 229 CG ASP A 726 -10.059 9.702 -14.922 1.00 0.00 C ATOM 230 OD1 ASP A 726 -9.497 8.591 -15.028 1.00 0.00 O ATOM 231 OD2 ASP A 726 -10.663 10.068 -13.893 1.00 0.00 O ATOM 0 H ASP A 726 -9.660 12.946 -16.929 1.00 0.00 H new ATOM 0 HA ASP A 726 -8.101 11.317 -15.344 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -10.717 11.461 -15.947 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -10.307 10.125 -17.005 1.00 0.00 H new ATOM 236 N VAL A 727 -8.210 10.207 -18.467 1.00 0.00 N ATOM 237 CA VAL A 727 -7.512 9.364 -19.430 1.00 0.00 C ATOM 238 C VAL A 727 -6.063 9.804 -19.600 1.00 0.00 C ATOM 239 O VAL A 727 -5.196 9.004 -19.952 1.00 0.00 O ATOM 240 CB VAL A 727 -8.209 9.383 -20.804 1.00 0.00 C ATOM 241 CG1 VAL A 727 -7.567 8.375 -21.748 1.00 0.00 C ATOM 242 CG2 VAL A 727 -9.699 9.108 -20.653 1.00 0.00 C ATOM 0 H VAL A 727 -9.035 10.678 -18.839 1.00 0.00 H new ATOM 0 HA VAL A 727 -7.535 8.349 -19.034 1.00 0.00 H new ATOM 0 HB VAL A 727 -8.087 10.377 -21.235 1.00 0.00 H new ATOM 0 HG11 VAL A 727 -8.074 8.405 -22.712 1.00 0.00 H new ATOM 0 HG12 VAL A 727 -6.514 8.623 -21.884 1.00 0.00 H new ATOM 0 HG13 VAL A 727 -7.652 7.374 -21.324 1.00 0.00 H new ATOM 0 HG21 VAL A 727 -10.174 9.126 -21.634 1.00 0.00 H new ATOM 0 HG22 VAL A 727 -9.844 8.128 -20.197 1.00 0.00 H new ATOM 0 HG23 VAL A 727 -10.148 9.873 -20.019 1.00 0.00 H new ATOM 252 N PHE A 728 -5.808 11.080 -19.346 1.00 0.00 N ATOM 253 CA PHE A 728 -4.463 11.632 -19.466 1.00 0.00 C ATOM 254 C PHE A 728 -3.622 11.301 -18.238 1.00 0.00 C ATOM 255 O PHE A 728 -2.393 11.306 -18.295 1.00 0.00 O ATOM 256 CB PHE A 728 -4.526 13.148 -19.664 1.00 0.00 C ATOM 257 CG PHE A 728 -4.545 13.566 -21.106 1.00 0.00 C ATOM 258 CD1 PHE A 728 -5.345 12.903 -22.024 1.00 0.00 C ATOM 259 CD2 PHE A 728 -3.762 14.622 -21.545 1.00 0.00 C ATOM 260 CE1 PHE A 728 -5.363 13.286 -23.353 1.00 0.00 C ATOM 261 CE2 PHE A 728 -3.776 15.009 -22.872 1.00 0.00 C ATOM 262 CZ PHE A 728 -4.577 14.340 -23.777 1.00 0.00 C ATOM 0 H PHE A 728 -6.515 11.755 -19.055 1.00 0.00 H new ATOM 0 HA PHE A 728 -3.990 11.178 -20.337 1.00 0.00 H new ATOM 0 HB2 PHE A 728 -5.418 13.534 -19.171 1.00 0.00 H new ATOM 0 HB3 PHE A 728 -3.667 13.606 -19.173 1.00 0.00 H new ATOM 0 HD1 PHE A 728 -5.961 12.078 -21.698 1.00 0.00 H new ATOM 0 HD2 PHE A 728 -3.134 15.149 -20.842 1.00 0.00 H new ATOM 0 HE1 PHE A 728 -5.991 12.762 -24.058 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -3.161 15.834 -23.201 1.00 0.00 H new ATOM 0 HZ PHE A 728 -4.589 14.640 -24.814 1.00 0.00 H new ATOM 272 N TYR A 729 -4.293 11.014 -17.128 1.00 0.00 N ATOM 273 CA TYR A 729 -3.608 10.680 -15.885 1.00 0.00 C ATOM 274 C TYR A 729 -3.284 9.190 -15.817 1.00 0.00 C ATOM 275 O TYR A 729 -2.399 8.771 -15.070 1.00 0.00 O ATOM 276 CB TYR A 729 -4.464 11.082 -14.682 1.00 0.00 C ATOM 277 CG TYR A 729 -4.348 12.544 -14.317 1.00 0.00 C ATOM 278 CD1 TYR A 729 -4.352 13.528 -15.298 1.00 0.00 C ATOM 279 CD2 TYR A 729 -4.234 12.942 -12.990 1.00 0.00 C ATOM 280 CE1 TYR A 729 -4.247 14.865 -14.968 1.00 0.00 C ATOM 281 CE2 TYR A 729 -4.129 14.278 -12.653 1.00 0.00 C ATOM 282 CZ TYR A 729 -4.135 15.235 -13.645 1.00 0.00 C ATOM 283 OH TYR A 729 -4.031 16.566 -13.312 1.00 0.00 O ATOM 0 H TYR A 729 -5.311 11.006 -17.064 1.00 0.00 H new ATOM 0 HA TYR A 729 -2.671 11.236 -15.860 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -5.508 10.852 -14.896 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -4.174 10.478 -13.822 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -4.439 13.243 -16.336 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -4.227 12.195 -12.210 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -4.253 15.617 -15.743 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -4.043 14.571 -11.617 1.00 0.00 H new ATOM 0 HH TYR A 729 -3.961 16.655 -12.339 1.00 0.00 H new ATOM 293 N ASN A 730 -4.005 8.395 -16.600 1.00 0.00 N ATOM 294 CA ASN A 730 -3.793 6.952 -16.627 1.00 0.00 C ATOM 295 C ASN A 730 -4.038 6.341 -15.252 1.00 0.00 C ATOM 296 O ASN A 730 -3.357 5.399 -14.849 1.00 0.00 O ATOM 297 CB ASN A 730 -2.371 6.633 -17.093 1.00 0.00 C ATOM 298 CG ASN A 730 -2.267 6.532 -18.603 1.00 0.00 C ATOM 299 OD1 ASN A 730 -3.262 6.658 -19.315 1.00 0.00 O ATOM 300 ND2 ASN A 730 -1.056 6.303 -19.098 1.00 0.00 N ATOM 0 H ASN A 730 -4.741 8.725 -17.224 1.00 0.00 H new ATOM 0 HA ASN A 730 -4.504 6.518 -17.330 1.00 0.00 H new ATOM 0 HB2 ASN A 730 -1.692 7.407 -16.736 1.00 0.00 H new ATOM 0 HB3 ASN A 730 -2.047 5.693 -16.645 1.00 0.00 H new ATOM 0 HD21 ASN A 730 -0.924 6.225 -20.106 1.00 0.00 H new ATOM 0 HD22 ASN A 730 -0.258 6.205 -18.470 1.00 0.00 H new ATOM 307 N THR A 731 -5.016 6.885 -14.533 1.00 0.00 N ATOM 308 CA THR A 731 -5.352 6.394 -13.202 1.00 0.00 C ATOM 309 C THR A 731 -6.181 5.117 -13.287 1.00 0.00 C ATOM 310 O THR A 731 -7.405 5.149 -13.154 1.00 0.00 O ATOM 311 CB THR A 731 -6.118 7.462 -12.420 1.00 0.00 C ATOM 312 OG1 THR A 731 -5.420 8.695 -12.441 1.00 0.00 O ATOM 313 CG2 THR A 731 -6.352 7.090 -10.973 1.00 0.00 C ATOM 0 H THR A 731 -5.589 7.666 -14.851 1.00 0.00 H new ATOM 0 HA THR A 731 -4.422 6.168 -12.680 1.00 0.00 H new ATOM 0 HB THR A 731 -7.085 7.548 -12.916 1.00 0.00 H new ATOM 0 HG1 THR A 731 -5.926 9.366 -11.937 1.00 0.00 H new ATOM 0 HG21 THR A 731 -6.900 7.890 -10.476 1.00 0.00 H new ATOM 0 HG22 THR A 731 -6.931 6.168 -10.923 1.00 0.00 H new ATOM 0 HG23 THR A 731 -5.393 6.943 -10.475 1.00 0.00 H new ATOM 321 N LYS A 732 -5.507 3.993 -13.508 1.00 0.00 N ATOM 322 CA LYS A 732 -6.181 2.704 -13.609 1.00 0.00 C ATOM 323 C LYS A 732 -6.339 2.061 -12.236 1.00 0.00 C ATOM 324 O LYS A 732 -7.443 1.696 -11.832 1.00 0.00 O ATOM 325 CB LYS A 732 -5.399 1.760 -14.525 1.00 0.00 C ATOM 326 CG LYS A 732 -6.245 1.132 -15.619 1.00 0.00 C ATOM 327 CD LYS A 732 -5.448 0.938 -16.899 1.00 0.00 C ATOM 328 CE LYS A 732 -5.217 2.259 -17.616 1.00 0.00 C ATOM 329 NZ LYS A 732 -6.426 2.705 -18.361 1.00 0.00 N ATOM 0 H LYS A 732 -4.494 3.949 -13.621 1.00 0.00 H new ATOM 0 HA LYS A 732 -7.170 2.880 -14.032 1.00 0.00 H new ATOM 0 HB2 LYS A 732 -4.578 2.311 -14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 732 -4.954 0.968 -13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 732 -6.627 0.170 -15.278 1.00 0.00 H new ATOM 0 HG3 LYS A 732 -7.109 1.765 -15.820 1.00 0.00 H new ATOM 0 HD2 LYS A 732 -4.488 0.477 -16.665 1.00 0.00 H new ATOM 0 HD3 LYS A 732 -5.979 0.252 -17.559 1.00 0.00 H new ATOM 0 HE2 LYS A 732 -4.936 3.022 -16.890 1.00 0.00 H new ATOM 0 HE3 LYS A 732 -4.382 2.155 -18.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 -6.217 3.591 -18.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 -6.700 1.974 -19.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 -7.207 2.862 -17.693 1.00 0.00 H new ATOM 343 N PRO A 733 -5.224 1.900 -11.505 1.00 0.00 N ATOM 344 CA PRO A 733 -5.223 1.286 -10.185 1.00 0.00 C ATOM 345 C PRO A 733 -5.382 2.305 -9.062 1.00 0.00 C ATOM 346 O PRO A 733 -5.637 3.483 -9.312 1.00 0.00 O ATOM 347 CB PRO A 733 -3.840 0.654 -10.155 1.00 0.00 C ATOM 348 CG PRO A 733 -2.980 1.647 -10.860 1.00 0.00 C ATOM 349 CD PRO A 733 -3.857 2.290 -11.911 1.00 0.00 C ATOM 0 HA PRO A 733 -6.050 0.593 -10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 733 -3.500 0.484 -9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 733 -3.831 -0.312 -10.659 1.00 0.00 H new ATOM 0 HG2 PRO A 733 -2.595 2.393 -10.164 1.00 0.00 H new ATOM 0 HG3 PRO A 733 -2.117 1.161 -11.316 1.00 0.00 H new ATOM 0 HD2 PRO A 733 -3.736 3.373 -11.926 1.00 0.00 H new ATOM 0 HD3 PRO A 733 -3.617 1.928 -12.911 1.00 0.00 H new ATOM 357 N TYR A 734 -5.230 1.844 -7.825 1.00 0.00 N ATOM 358 CA TYR A 734 -5.357 2.716 -6.663 1.00 0.00 C ATOM 359 C TYR A 734 -4.038 3.424 -6.368 1.00 0.00 C ATOM 360 O TYR A 734 -3.891 4.618 -6.628 1.00 0.00 O ATOM 361 CB TYR A 734 -5.803 1.912 -5.442 1.00 0.00 C ATOM 362 CG TYR A 734 -7.304 1.857 -5.267 1.00 0.00 C ATOM 363 CD1 TYR A 734 -8.079 0.996 -6.033 1.00 0.00 C ATOM 364 CD2 TYR A 734 -7.944 2.666 -4.337 1.00 0.00 C ATOM 365 CE1 TYR A 734 -9.452 0.942 -5.877 1.00 0.00 C ATOM 366 CE2 TYR A 734 -9.316 2.618 -4.175 1.00 0.00 C ATOM 367 CZ TYR A 734 -10.065 1.755 -4.947 1.00 0.00 C ATOM 368 OH TYR A 734 -11.431 1.705 -4.789 1.00 0.00 O ATOM 0 H TYR A 734 -5.019 0.872 -7.601 1.00 0.00 H new ATOM 0 HA TYR A 734 -6.111 3.470 -6.886 1.00 0.00 H new ATOM 0 HB2 TYR A 734 -5.418 0.896 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 734 -5.357 2.348 -4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 734 -7.602 0.358 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 734 -7.361 3.343 -3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 734 -10.041 0.267 -6.480 1.00 0.00 H new ATOM 0 HE2 TYR A 734 -9.799 3.253 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 734 -11.703 2.339 -4.093 1.00 0.00 H new ATOM 378 N LYS A 735 -3.083 2.679 -5.823 1.00 0.00 N ATOM 379 CA LYS A 735 -1.776 3.234 -5.491 1.00 0.00 C ATOM 380 C LYS A 735 -0.839 2.150 -4.971 1.00 0.00 C ATOM 381 O LYS A 735 -1.096 1.540 -3.933 1.00 0.00 O ATOM 382 CB LYS A 735 -1.920 4.344 -4.448 1.00 0.00 C ATOM 383 CG LYS A 735 -0.644 5.138 -4.225 1.00 0.00 C ATOM 384 CD LYS A 735 -0.504 5.573 -2.774 1.00 0.00 C ATOM 385 CE LYS A 735 0.610 6.591 -2.603 1.00 0.00 C ATOM 386 NZ LYS A 735 0.524 7.294 -1.292 1.00 0.00 N ATOM 0 H LYS A 735 -3.189 1.689 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 735 -1.346 3.653 -6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -2.712 5.025 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -2.234 3.903 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 735 0.217 4.533 -4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -0.643 6.016 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -1.445 6.001 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -0.302 4.702 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 735 1.575 6.090 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 735 0.561 7.322 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 1.302 7.980 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -0.386 7.793 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 0.596 6.600 -0.521 1.00 0.00 H new ATOM 400 N HIS A 736 0.247 1.913 -5.699 1.00 0.00 N ATOM 401 CA HIS A 736 1.223 0.902 -5.310 1.00 0.00 C ATOM 402 C HIS A 736 1.997 1.340 -4.071 1.00 0.00 C ATOM 403 O HIS A 736 2.111 2.533 -3.788 1.00 0.00 O ATOM 404 CB HIS A 736 2.193 0.630 -6.462 1.00 0.00 C ATOM 405 CG HIS A 736 1.514 0.439 -7.782 1.00 0.00 C ATOM 406 ND1 HIS A 736 1.098 1.489 -8.574 1.00 0.00 N ATOM 407 CD2 HIS A 736 1.179 -0.690 -8.451 1.00 0.00 C ATOM 408 CE1 HIS A 736 0.536 1.015 -9.671 1.00 0.00 C ATOM 409 NE2 HIS A 736 0.573 -0.303 -9.622 1.00 0.00 N ATOM 0 H HIS A 736 0.473 2.408 -6.562 1.00 0.00 H new ATOM 0 HA HIS A 736 0.684 -0.015 -5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 736 2.894 1.461 -6.540 1.00 0.00 H new ATOM 0 HB3 HIS A 736 2.778 -0.260 -6.231 1.00 0.00 H new ATOM 0 HD2 HIS A 736 1.355 -1.704 -8.125 1.00 0.00 H new ATOM 0 HE1 HIS A 736 0.117 1.606 -10.472 1.00 0.00 H new ATOM 0 HE2 HIS A 736 0.210 -0.933 -10.338 1.00 0.00 H new ATOM 418 N ARG A 737 2.526 0.369 -3.336 1.00 0.00 N ATOM 419 CA ARG A 737 3.289 0.655 -2.126 1.00 0.00 C ATOM 420 C ARG A 737 4.198 -0.516 -1.766 1.00 0.00 C ATOM 421 O ARG A 737 3.845 -1.356 -0.938 1.00 0.00 O ATOM 422 CB ARG A 737 2.344 0.959 -0.963 1.00 0.00 C ATOM 423 CG ARG A 737 3.063 1.313 0.329 1.00 0.00 C ATOM 424 CD ARG A 737 3.995 2.499 0.141 1.00 0.00 C ATOM 425 NE ARG A 737 4.161 3.266 1.373 1.00 0.00 N ATOM 426 CZ ARG A 737 3.179 3.939 1.966 1.00 0.00 C ATOM 427 NH1 ARG A 737 1.958 3.943 1.445 1.00 0.00 N ATOM 428 NH2 ARG A 737 3.415 4.610 3.085 1.00 0.00 N ATOM 0 H ARG A 737 2.441 -0.623 -3.556 1.00 0.00 H new ATOM 0 HA ARG A 737 3.912 1.529 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 737 1.690 1.785 -1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 737 1.706 0.093 -0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 737 2.331 1.544 1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 737 3.634 0.452 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 737 4.968 2.145 -0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 737 3.601 3.149 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 737 5.085 3.287 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 737 1.769 3.428 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 737 1.209 4.461 1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 737 4.350 4.610 3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 737 2.661 5.126 3.539 1.00 0.00 H new ATOM 442 N ASP A 738 5.369 -0.565 -2.393 1.00 0.00 N ATOM 443 CA ASP A 738 6.329 -1.632 -2.137 1.00 0.00 C ATOM 444 C ASP A 738 7.626 -1.393 -2.903 1.00 0.00 C ATOM 445 O ASP A 738 8.712 -1.410 -2.324 1.00 0.00 O ATOM 446 CB ASP A 738 5.734 -2.988 -2.526 1.00 0.00 C ATOM 447 CG ASP A 738 5.044 -2.954 -3.876 1.00 0.00 C ATOM 448 OD1 ASP A 738 3.980 -2.308 -3.982 1.00 0.00 O ATOM 449 OD2 ASP A 738 5.567 -3.573 -4.827 1.00 0.00 O ATOM 0 H ASP A 738 5.676 0.122 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 738 6.554 -1.635 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 738 6.526 -3.737 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 738 5.019 -3.300 -1.764 1.00 0.00 H new ATOM 454 N ASP A 739 7.505 -1.170 -4.208 1.00 0.00 N ATOM 455 CA ASP A 739 8.668 -0.927 -5.052 1.00 0.00 C ATOM 456 C ASP A 739 9.311 0.415 -4.721 1.00 0.00 C ATOM 457 O ASP A 739 9.212 1.370 -5.491 1.00 0.00 O ATOM 458 CB ASP A 739 8.269 -0.967 -6.529 1.00 0.00 C ATOM 459 CG ASP A 739 7.224 0.076 -6.873 1.00 0.00 C ATOM 460 OD1 ASP A 739 6.029 -0.170 -6.608 1.00 0.00 O ATOM 461 OD2 ASP A 739 7.601 1.139 -7.410 1.00 0.00 O ATOM 0 H ASP A 739 6.613 -1.153 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 739 9.397 -1.714 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 739 9.153 -0.809 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 739 7.884 -1.957 -6.772 1.00 0.00 H new ATOM 466 N ARG A 740 9.971 0.481 -3.569 1.00 0.00 N ATOM 467 CA ARG A 740 10.631 1.706 -3.135 1.00 0.00 C ATOM 468 C ARG A 740 11.820 1.393 -2.231 1.00 0.00 C ATOM 469 O ARG A 740 12.956 1.751 -2.538 1.00 0.00 O ATOM 470 CB ARG A 740 9.641 2.611 -2.399 1.00 0.00 C ATOM 471 CG ARG A 740 9.884 4.093 -2.631 1.00 0.00 C ATOM 472 CD ARG A 740 8.580 4.874 -2.663 1.00 0.00 C ATOM 473 NE ARG A 740 8.709 6.125 -3.404 1.00 0.00 N ATOM 474 CZ ARG A 740 7.739 7.033 -3.501 1.00 0.00 C ATOM 475 NH1 ARG A 740 6.570 6.831 -2.907 1.00 0.00 N ATOM 476 NH2 ARG A 740 7.940 8.145 -4.195 1.00 0.00 N ATOM 0 H ARG A 740 10.063 -0.300 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 740 10.997 2.225 -4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 740 8.629 2.363 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 740 9.698 2.405 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 740 10.525 4.485 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 740 10.416 4.232 -3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 740 7.802 4.262 -3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 740 8.261 5.088 -1.643 1.00 0.00 H new ATOM 0 HE ARG A 740 9.594 6.315 -3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 740 6.410 5.977 -2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 740 5.831 7.530 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 740 8.837 8.305 -4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 740 7.198 8.841 -4.270 1.00 0.00 H new ATOM 490 N LEU A 741 11.548 0.722 -1.117 1.00 0.00 N ATOM 491 CA LEU A 741 12.595 0.359 -0.169 1.00 0.00 C ATOM 492 C LEU A 741 13.641 -0.532 -0.830 1.00 0.00 C ATOM 493 O LEU A 741 14.841 -0.277 -0.731 1.00 0.00 O ATOM 494 CB LEU A 741 11.991 -0.355 1.041 1.00 0.00 C ATOM 495 CG LEU A 741 12.842 -0.311 2.311 1.00 0.00 C ATOM 496 CD1 LEU A 741 13.189 1.125 2.672 1.00 0.00 C ATOM 497 CD2 LEU A 741 12.118 -0.992 3.463 1.00 0.00 C ATOM 0 H LEU A 741 10.612 0.419 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 741 13.082 1.275 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 741 11.019 0.089 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 741 11.813 -1.398 0.777 1.00 0.00 H new ATOM 0 HG LEU A 741 13.770 -0.851 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 741 13.795 1.136 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 741 13.749 1.580 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 741 12.272 1.689 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 741 12.739 -0.951 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 741 11.174 -0.481 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 741 11.922 -2.033 3.205 1.00 0.00 H new ATOM 509 N LEU A 742 13.178 -1.580 -1.504 1.00 0.00 N ATOM 510 CA LEU A 742 14.075 -2.509 -2.183 1.00 0.00 C ATOM 511 C LEU A 742 14.760 -1.836 -3.366 1.00 0.00 C ATOM 512 O LEU A 742 15.981 -1.896 -3.504 1.00 0.00 O ATOM 513 CB LEU A 742 13.304 -3.742 -2.657 1.00 0.00 C ATOM 514 CG LEU A 742 12.928 -4.735 -1.556 1.00 0.00 C ATOM 515 CD1 LEU A 742 14.173 -5.404 -0.994 1.00 0.00 C ATOM 516 CD2 LEU A 742 12.151 -4.034 -0.451 1.00 0.00 C ATOM 0 H LEU A 742 12.188 -1.807 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 742 14.841 -2.821 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 742 12.392 -3.412 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 742 13.904 -4.262 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 742 12.291 -5.506 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 742 13.887 -6.107 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 742 14.690 -5.938 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 742 14.836 -4.646 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 742 11.891 -4.755 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 742 12.765 -3.243 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 742 11.240 -3.602 -0.865 1.00 0.00 H new ATOM 528 N GLN A 743 13.968 -1.189 -4.216 1.00 0.00 N ATOM 529 CA GLN A 743 14.503 -0.501 -5.386 1.00 0.00 C ATOM 530 C GLN A 743 15.596 0.486 -4.985 1.00 0.00 C ATOM 531 O GLN A 743 16.472 0.816 -5.784 1.00 0.00 O ATOM 532 CB GLN A 743 13.385 0.232 -6.128 1.00 0.00 C ATOM 533 CG GLN A 743 13.594 0.296 -7.633 1.00 0.00 C ATOM 534 CD GLN A 743 12.686 1.307 -8.305 1.00 0.00 C ATOM 535 OE1 GLN A 743 13.145 2.335 -8.804 1.00 0.00 O ATOM 536 NE2 GLN A 743 11.390 1.019 -8.322 1.00 0.00 N ATOM 0 H GLN A 743 12.955 -1.127 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 743 14.939 -1.249 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 743 12.437 -0.265 -5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 743 13.305 1.246 -5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 743 14.633 0.551 -7.841 1.00 0.00 H new ATOM 0 HG3 GLN A 743 13.416 -0.690 -8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 743 11.054 0.155 -7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 743 10.731 1.661 -8.761 1.00 0.00 H new ATOM 545 N ALA A 744 15.539 0.952 -3.740 1.00 0.00 N ATOM 546 CA ALA A 744 16.525 1.896 -3.233 1.00 0.00 C ATOM 547 C ALA A 744 17.901 1.246 -3.126 1.00 0.00 C ATOM 548 O ALA A 744 18.920 1.882 -3.391 1.00 0.00 O ATOM 549 CB ALA A 744 16.088 2.438 -1.880 1.00 0.00 C ATOM 0 H ALA A 744 14.820 0.690 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 744 16.597 2.724 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 744 16.834 3.143 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 744 15.129 2.946 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 744 15.987 1.614 -1.173 1.00 0.00 H new ATOM 555 N LEU A 745 17.921 -0.026 -2.736 1.00 0.00 N ATOM 556 CA LEU A 745 19.174 -0.758 -2.595 1.00 0.00 C ATOM 557 C LEU A 745 19.883 -0.882 -3.941 1.00 0.00 C ATOM 558 O LEU A 745 21.112 -0.864 -4.010 1.00 0.00 O ATOM 559 CB LEU A 745 18.917 -2.147 -1.997 1.00 0.00 C ATOM 560 CG LEU A 745 18.402 -3.203 -2.980 1.00 0.00 C ATOM 561 CD1 LEU A 745 19.536 -4.112 -3.429 1.00 0.00 C ATOM 562 CD2 LEU A 745 17.282 -4.019 -2.350 1.00 0.00 C ATOM 0 H LEU A 745 17.086 -0.568 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 745 19.821 -0.200 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 745 19.844 -2.510 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 745 18.195 -2.047 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 745 18.003 -2.691 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 745 19.152 -4.856 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 745 20.306 -3.517 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 745 19.964 -4.615 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 745 16.929 -4.764 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 745 17.655 -4.520 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 745 16.459 -3.358 -2.078 1.00 0.00 H new ATOM 574 N MET A 746 19.100 -1.006 -5.008 1.00 0.00 N ATOM 575 CA MET A 746 19.653 -1.131 -6.350 1.00 0.00 C ATOM 576 C MET A 746 20.327 0.165 -6.785 1.00 0.00 C ATOM 577 O MET A 746 21.218 0.160 -7.633 1.00 0.00 O ATOM 578 CB MET A 746 18.554 -1.509 -7.346 1.00 0.00 C ATOM 579 CG MET A 746 17.820 -2.789 -6.983 1.00 0.00 C ATOM 580 SD MET A 746 16.615 -3.276 -8.232 1.00 0.00 S ATOM 581 CE MET A 746 15.979 -4.790 -7.518 1.00 0.00 C ATOM 0 H MET A 746 18.081 -1.022 -4.968 1.00 0.00 H new ATOM 0 HA MET A 746 20.404 -1.921 -6.333 1.00 0.00 H new ATOM 0 HB2 MET A 746 17.835 -0.692 -7.408 1.00 0.00 H new ATOM 0 HB3 MET A 746 18.995 -1.621 -8.336 1.00 0.00 H new ATOM 0 HG2 MET A 746 18.544 -3.593 -6.849 1.00 0.00 H new ATOM 0 HG3 MET A 746 17.313 -2.654 -6.028 1.00 0.00 H new ATOM 0 HE1 MET A 746 15.221 -5.213 -8.177 1.00 0.00 H new ATOM 0 HE2 MET A 746 16.793 -5.505 -7.396 1.00 0.00 H new ATOM 0 HE3 MET A 746 15.536 -4.576 -6.546 1.00 0.00 H new ATOM 591 N ASP A 747 19.893 1.274 -6.200 1.00 0.00 N ATOM 592 CA ASP A 747 20.451 2.578 -6.524 1.00 0.00 C ATOM 593 C ASP A 747 21.837 2.749 -5.915 1.00 0.00 C ATOM 594 O ASP A 747 22.680 3.468 -6.451 1.00 0.00 O ATOM 595 CB ASP A 747 19.523 3.691 -6.033 1.00 0.00 C ATOM 596 CG ASP A 747 18.341 3.908 -6.958 1.00 0.00 C ATOM 597 OD1 ASP A 747 17.688 2.910 -7.331 1.00 0.00 O ATOM 598 OD2 ASP A 747 18.068 5.075 -7.309 1.00 0.00 O ATOM 0 H ASP A 747 19.154 1.295 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 747 20.543 2.643 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 747 19.160 3.444 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 747 20.088 4.619 -5.946 1.00 0.00 H new ATOM 603 N ILE A 748 22.060 2.088 -4.787 1.00 0.00 N ATOM 604 CA ILE A 748 23.339 2.167 -4.093 1.00 0.00 C ATOM 605 C ILE A 748 24.440 1.457 -4.866 1.00 0.00 C ATOM 606 O ILE A 748 25.580 1.919 -4.912 1.00 0.00 O ATOM 607 CB ILE A 748 23.249 1.565 -2.678 1.00 0.00 C ATOM 608 CG1 ILE A 748 22.035 2.127 -1.935 1.00 0.00 C ATOM 609 CG2 ILE A 748 24.527 1.844 -1.900 1.00 0.00 C ATOM 610 CD1 ILE A 748 22.037 3.637 -1.828 1.00 0.00 C ATOM 0 H ILE A 748 21.370 1.490 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 748 23.586 3.226 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 748 23.129 0.485 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 748 21.127 1.808 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 748 22.003 1.700 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 748 24.447 1.412 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 748 25.375 1.399 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 748 24.676 2.921 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 748 21.148 3.965 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 748 22.927 3.962 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 748 22.037 4.073 -2.827 1.00 0.00 H new ATOM 622 N LEU A 749 24.091 0.332 -5.467 1.00 0.00 N ATOM 623 CA LEU A 749 25.042 -0.451 -6.236 1.00 0.00 C ATOM 624 C LEU A 749 24.983 -0.104 -7.725 1.00 0.00 C ATOM 625 O LEU A 749 25.809 -0.568 -8.509 1.00 0.00 O ATOM 626 CB LEU A 749 24.790 -1.948 -6.033 1.00 0.00 C ATOM 627 CG LEU A 749 23.351 -2.414 -6.270 1.00 0.00 C ATOM 628 CD1 LEU A 749 22.994 -2.320 -7.743 1.00 0.00 C ATOM 629 CD2 LEU A 749 23.167 -3.838 -5.766 1.00 0.00 C ATOM 0 H LEU A 749 23.150 -0.061 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 749 26.040 -0.205 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 749 25.448 -2.503 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 749 25.075 -2.212 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 749 22.680 -1.759 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 749 21.968 -2.656 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 749 23.089 -1.286 -8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 749 23.669 -2.951 -8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 749 22.139 -4.156 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 749 23.848 -4.503 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 749 23.382 -3.877 -4.698 1.00 0.00 H new ATOM 641 N ASN A 750 24.004 0.714 -8.108 1.00 0.00 N ATOM 642 CA ASN A 750 23.849 1.115 -9.501 1.00 0.00 C ATOM 643 C ASN A 750 25.085 1.860 -9.995 1.00 0.00 C ATOM 644 O ASN A 750 25.432 1.794 -11.175 1.00 0.00 O ATOM 645 CB ASN A 750 22.607 1.994 -9.665 1.00 0.00 C ATOM 646 CG ASN A 750 21.753 1.576 -10.846 1.00 0.00 C ATOM 647 OD1 ASN A 750 21.560 2.344 -11.789 1.00 0.00 O ATOM 648 ND2 ASN A 750 21.238 0.354 -10.800 1.00 0.00 N ATOM 0 H ASN A 750 23.310 1.110 -7.474 1.00 0.00 H new ATOM 0 HA ASN A 750 23.729 0.213 -10.101 1.00 0.00 H new ATOM 0 HB2 ASN A 750 22.010 1.948 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 750 22.914 3.032 -9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 750 20.656 0.017 -11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 750 21.425 -0.248 -9.998 1.00 0.00 H new ATOM 655 N GLU A 751 25.747 2.568 -9.084 1.00 0.00 N ATOM 656 CA GLU A 751 26.939 3.323 -9.422 1.00 0.00 C ATOM 657 C GLU A 751 28.168 2.736 -8.735 1.00 0.00 C ATOM 658 O GLU A 751 29.051 3.467 -8.288 1.00 0.00 O ATOM 659 CB GLU A 751 26.770 4.791 -9.030 1.00 0.00 C ATOM 660 CG GLU A 751 25.427 5.377 -9.433 1.00 0.00 C ATOM 661 CD GLU A 751 25.344 5.675 -10.917 1.00 0.00 C ATOM 662 OE1 GLU A 751 25.884 4.879 -11.714 1.00 0.00 O ATOM 663 OE2 GLU A 751 24.739 6.705 -11.283 1.00 0.00 O ATOM 0 H GLU A 751 25.473 2.631 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 751 27.084 3.260 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 751 26.890 4.886 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 751 27.566 5.376 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 751 24.634 4.680 -9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 751 25.252 6.295 -8.871 1.00 0.00 H new ATOM 670 N GLU A 752 28.217 1.411 -8.659 1.00 0.00 N ATOM 671 CA GLU A 752 29.332 0.722 -8.031 1.00 0.00 C ATOM 672 C GLU A 752 29.440 -0.713 -8.537 1.00 0.00 C ATOM 673 O GLU A 752 28.994 -1.651 -7.876 1.00 0.00 O ATOM 674 CB GLU A 752 29.169 0.728 -6.511 1.00 0.00 C ATOM 675 CG GLU A 752 29.385 2.095 -5.883 1.00 0.00 C ATOM 676 CD GLU A 752 29.384 2.048 -4.367 1.00 0.00 C ATOM 677 OE1 GLU A 752 28.849 1.069 -3.805 1.00 0.00 O ATOM 678 OE2 GLU A 752 29.918 2.988 -3.743 1.00 0.00 O ATOM 0 H GLU A 752 27.494 0.793 -9.027 1.00 0.00 H new ATOM 0 HA GLU A 752 30.248 1.250 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 752 28.169 0.376 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 752 29.875 0.021 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 752 30.334 2.504 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 752 28.603 2.774 -6.222 1.00 0.00 H new ATOM 685 N ASN A 753 30.036 -0.876 -9.714 1.00 0.00 N ATOM 686 CA ASN A 753 30.204 -2.197 -10.309 1.00 0.00 C ATOM 687 C ASN A 753 31.650 -2.418 -10.743 1.00 0.00 C ATOM 688 O ASN A 753 32.336 -3.249 -10.111 1.00 0.00 O ATOM 689 CB ASN A 753 29.270 -2.360 -11.509 1.00 0.00 C ATOM 690 CG ASN A 753 29.074 -3.813 -11.895 1.00 0.00 C ATOM 691 OD1 ASN A 753 29.793 -4.346 -12.741 1.00 0.00 O ATOM 692 ND2 ASN A 753 28.096 -4.464 -11.275 1.00 0.00 N ATOM 693 OXT ASN A 753 32.083 -1.760 -11.712 1.00 0.00 O ATOM 0 H ASN A 753 30.410 -0.110 -10.274 1.00 0.00 H new ATOM 0 HA ASN A 753 29.951 -2.943 -9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 753 28.303 -1.915 -11.276 1.00 0.00 H new ATOM 0 HB3 ASN A 753 29.676 -1.812 -12.359 1.00 0.00 H new ATOM 0 HD21 ASN A 753 27.917 -5.444 -11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 753 27.524 -3.984 -10.580 1.00 0.00 H new TER 700 ASN A 753