USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 340 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 18:sc= 0.188 USER MOD Single : A 719 SER OG : rot 180:sc= 0 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 112:sc= 0.00052 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.4) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 732 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0393 X(o=-0.039,f=-0.44) USER MOD Single : A 743 GLN : amide:sc=-0.00718 X(o=-0.0072,f=0) USER MOD Single : A 746 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 750 ASN : amide:sc= 0.991 K(o=0.99,f=-0.41) USER MOD Single : A 753 ASN : amide:sc= -0.0895 K(o=-0.089,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 1.424 -10.716 -31.498 1.00 0.00 N ATOM 2 CA SER A 711 0.295 -10.552 -30.545 1.00 0.00 C ATOM 3 C SER A 711 0.088 -11.813 -29.713 1.00 0.00 C ATOM 4 O SER A 711 0.178 -11.782 -28.486 1.00 0.00 O ATOM 5 CB SER A 711 -0.973 -10.230 -31.341 1.00 0.00 C ATOM 6 OG SER A 711 -2.128 -10.358 -30.532 1.00 0.00 O ATOM 0 HA SER A 711 0.524 -9.738 -29.857 1.00 0.00 H new ATOM 0 HB2 SER A 711 -0.911 -9.215 -31.735 1.00 0.00 H new ATOM 0 HB3 SER A 711 -1.049 -10.900 -32.197 1.00 0.00 H new ATOM 0 HG SER A 711 -2.924 -10.146 -31.063 1.00 0.00 H new ATOM 14 N LYS A 712 -0.189 -12.923 -30.391 1.00 0.00 N ATOM 15 CA LYS A 712 -0.409 -14.196 -29.713 1.00 0.00 C ATOM 16 C LYS A 712 0.187 -15.349 -30.515 1.00 0.00 C ATOM 17 O LYS A 712 -0.199 -15.589 -31.658 1.00 0.00 O ATOM 18 CB LYS A 712 -1.906 -14.431 -29.499 1.00 0.00 C ATOM 19 CG LYS A 712 -2.520 -13.514 -28.454 1.00 0.00 C ATOM 20 CD LYS A 712 -2.592 -14.188 -27.093 1.00 0.00 C ATOM 21 CE LYS A 712 -3.310 -13.316 -26.077 1.00 0.00 C ATOM 22 NZ LYS A 712 -4.123 -14.123 -25.127 1.00 0.00 N ATOM 0 H LYS A 712 -0.266 -12.967 -31.407 1.00 0.00 H new ATOM 0 HA LYS A 712 0.089 -14.154 -28.744 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -2.427 -14.290 -30.446 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -2.064 -15.467 -29.200 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -1.930 -12.601 -28.378 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -3.521 -13.221 -28.769 1.00 0.00 H new ATOM 0 HD2 LYS A 712 -3.110 -15.143 -27.186 1.00 0.00 H new ATOM 0 HD3 LYS A 712 -1.584 -14.405 -26.740 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -2.579 -12.729 -25.521 1.00 0.00 H new ATOM 0 HE3 LYS A 712 -3.956 -12.609 -26.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 -4.596 -13.490 -24.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -4.838 -14.664 -25.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -3.503 -14.780 -24.611 1.00 0.00 H new ATOM 36 N LEU A 713 1.133 -16.058 -29.907 1.00 0.00 N ATOM 37 CA LEU A 713 1.783 -17.185 -30.563 1.00 0.00 C ATOM 38 C LEU A 713 1.285 -18.509 -29.992 1.00 0.00 C ATOM 39 O LEU A 713 1.224 -18.689 -28.777 1.00 0.00 O ATOM 40 CB LEU A 713 3.303 -17.089 -30.405 1.00 0.00 C ATOM 41 CG LEU A 713 4.001 -16.168 -31.408 1.00 0.00 C ATOM 42 CD1 LEU A 713 5.360 -15.737 -30.880 1.00 0.00 C ATOM 43 CD2 LEU A 713 4.145 -16.862 -32.754 1.00 0.00 C ATOM 0 H LEU A 713 1.466 -15.871 -28.961 1.00 0.00 H new ATOM 0 HA LEU A 713 1.532 -17.149 -31.623 1.00 0.00 H new ATOM 0 HB2 LEU A 713 3.527 -16.740 -29.397 1.00 0.00 H new ATOM 0 HB3 LEU A 713 3.727 -18.089 -30.497 1.00 0.00 H new ATOM 0 HG LEU A 713 3.388 -15.277 -31.544 1.00 0.00 H new ATOM 0 HD11 LEU A 713 5.842 -15.083 -31.606 1.00 0.00 H new ATOM 0 HD12 LEU A 713 5.232 -15.202 -29.939 1.00 0.00 H new ATOM 0 HD13 LEU A 713 5.982 -16.617 -30.716 1.00 0.00 H new ATOM 0 HD21 LEU A 713 4.643 -16.194 -33.456 1.00 0.00 H new ATOM 0 HD22 LEU A 713 4.737 -17.769 -32.634 1.00 0.00 H new ATOM 0 HD23 LEU A 713 3.158 -17.121 -33.137 1.00 0.00 H new ATOM 55 N GLU A 714 0.929 -19.433 -30.878 1.00 0.00 N ATOM 56 CA GLU A 714 0.436 -20.741 -30.463 1.00 0.00 C ATOM 57 C GLU A 714 1.563 -21.769 -30.451 1.00 0.00 C ATOM 58 O GLU A 714 1.737 -22.501 -29.476 1.00 0.00 O ATOM 59 CB GLU A 714 -0.684 -21.205 -31.395 1.00 0.00 C ATOM 60 CG GLU A 714 -1.774 -21.997 -30.689 1.00 0.00 C ATOM 61 CD GLU A 714 -2.639 -22.787 -31.652 1.00 0.00 C ATOM 62 OE1 GLU A 714 -3.533 -22.181 -32.279 1.00 0.00 O ATOM 63 OE2 GLU A 714 -2.421 -24.010 -31.779 1.00 0.00 O ATOM 0 H GLU A 714 0.973 -19.300 -31.888 1.00 0.00 H new ATOM 0 HA GLU A 714 0.043 -20.649 -29.451 1.00 0.00 H new ATOM 0 HB2 GLU A 714 -1.131 -20.334 -31.874 1.00 0.00 H new ATOM 0 HB3 GLU A 714 -0.255 -21.819 -32.187 1.00 0.00 H new ATOM 0 HG2 GLU A 714 -1.316 -22.680 -29.974 1.00 0.00 H new ATOM 0 HG3 GLU A 714 -2.403 -21.313 -30.119 1.00 0.00 H new ATOM 70 N GLY A 715 2.324 -21.819 -31.539 1.00 0.00 N ATOM 71 CA GLY A 715 3.424 -22.761 -31.632 1.00 0.00 C ATOM 72 C GLY A 715 4.700 -22.226 -31.013 1.00 0.00 C ATOM 73 O GLY A 715 4.916 -21.015 -30.967 1.00 0.00 O ATOM 0 H GLY A 715 2.199 -21.224 -32.358 1.00 0.00 H new ATOM 0 HA2 GLY A 715 3.145 -23.690 -31.136 1.00 0.00 H new ATOM 0 HA3 GLY A 715 3.605 -23.001 -32.680 1.00 0.00 H new ATOM 77 N SER A 716 5.547 -23.131 -30.535 1.00 0.00 N ATOM 78 CA SER A 716 6.810 -22.745 -29.915 1.00 0.00 C ATOM 79 C SER A 716 7.985 -23.048 -30.837 1.00 0.00 C ATOM 80 O SER A 716 8.136 -24.173 -31.317 1.00 0.00 O ATOM 81 CB SER A 716 6.991 -23.473 -28.582 1.00 0.00 C ATOM 82 OG SER A 716 7.233 -24.854 -28.784 1.00 0.00 O ATOM 0 H SER A 716 5.382 -24.137 -30.565 1.00 0.00 H new ATOM 0 HA SER A 716 6.783 -21.671 -29.734 1.00 0.00 H new ATOM 0 HB2 SER A 716 7.823 -23.031 -28.033 1.00 0.00 H new ATOM 0 HB3 SER A 716 6.099 -23.343 -27.969 1.00 0.00 H new ATOM 0 HG SER A 716 7.521 -25.004 -29.709 1.00 0.00 H new ATOM 88 N GLU A 717 8.814 -22.039 -31.082 1.00 0.00 N ATOM 89 CA GLU A 717 9.977 -22.199 -31.948 1.00 0.00 C ATOM 90 C GLU A 717 10.928 -21.015 -31.806 1.00 0.00 C ATOM 91 O GLU A 717 10.519 -19.922 -31.414 1.00 0.00 O ATOM 92 CB GLU A 717 9.537 -22.343 -33.407 1.00 0.00 C ATOM 93 CG GLU A 717 10.400 -23.301 -34.211 1.00 0.00 C ATOM 94 CD GLU A 717 10.327 -24.724 -33.693 1.00 0.00 C ATOM 95 OE1 GLU A 717 9.277 -25.372 -33.885 1.00 0.00 O ATOM 96 OE2 GLU A 717 11.321 -25.191 -33.098 1.00 0.00 O ATOM 0 H GLU A 717 8.703 -21.102 -30.694 1.00 0.00 H new ATOM 0 HA GLU A 717 10.504 -23.103 -31.644 1.00 0.00 H new ATOM 0 HB2 GLU A 717 8.504 -22.689 -33.434 1.00 0.00 H new ATOM 0 HB3 GLU A 717 9.558 -21.362 -33.882 1.00 0.00 H new ATOM 0 HG2 GLU A 717 10.084 -23.281 -35.254 1.00 0.00 H new ATOM 0 HG3 GLU A 717 11.435 -22.961 -34.185 1.00 0.00 H new ATOM 103 N ASP A 718 12.197 -21.240 -32.129 1.00 0.00 N ATOM 104 CA ASP A 718 13.206 -20.191 -32.038 1.00 0.00 C ATOM 105 C ASP A 718 13.332 -19.681 -30.606 1.00 0.00 C ATOM 106 O ASP A 718 13.496 -18.483 -30.374 1.00 0.00 O ATOM 107 CB ASP A 718 12.855 -19.033 -32.975 1.00 0.00 C ATOM 108 CG ASP A 718 14.085 -18.375 -33.566 1.00 0.00 C ATOM 109 OD1 ASP A 718 14.629 -18.910 -34.555 1.00 0.00 O ATOM 110 OD2 ASP A 718 14.505 -17.322 -33.040 1.00 0.00 O ATOM 0 H ASP A 718 12.551 -22.139 -32.456 1.00 0.00 H new ATOM 0 HA ASP A 718 14.164 -20.615 -32.340 1.00 0.00 H new ATOM 0 HB2 ASP A 718 12.220 -19.401 -33.781 1.00 0.00 H new ATOM 0 HB3 ASP A 718 12.276 -18.289 -32.428 1.00 0.00 H new ATOM 115 N SER A 719 13.258 -20.599 -29.647 1.00 0.00 N ATOM 116 CA SER A 719 13.365 -20.244 -28.238 1.00 0.00 C ATOM 117 C SER A 719 12.246 -19.289 -27.832 1.00 0.00 C ATOM 118 O SER A 719 12.410 -18.070 -27.876 1.00 0.00 O ATOM 119 CB SER A 719 14.725 -19.604 -27.953 1.00 0.00 C ATOM 120 OG SER A 719 15.783 -20.441 -28.385 1.00 0.00 O ATOM 0 H SER A 719 13.124 -21.595 -29.821 1.00 0.00 H new ATOM 0 HA SER A 719 13.271 -21.157 -27.651 1.00 0.00 H new ATOM 0 HB2 SER A 719 14.790 -18.640 -28.458 1.00 0.00 H new ATOM 0 HB3 SER A 719 14.823 -19.411 -26.885 1.00 0.00 H new ATOM 0 HG SER A 719 16.641 -20.009 -28.193 1.00 0.00 H new ATOM 126 N LEU A 720 11.110 -19.852 -27.436 1.00 0.00 N ATOM 127 CA LEU A 720 9.964 -19.051 -27.022 1.00 0.00 C ATOM 128 C LEU A 720 9.885 -18.957 -25.502 1.00 0.00 C ATOM 129 O LEU A 720 8.799 -18.855 -24.931 1.00 0.00 O ATOM 130 CB LEU A 720 8.669 -19.650 -27.576 1.00 0.00 C ATOM 131 CG LEU A 720 7.623 -18.629 -28.026 1.00 0.00 C ATOM 132 CD1 LEU A 720 7.274 -17.684 -26.887 1.00 0.00 C ATOM 133 CD2 LEU A 720 8.125 -17.852 -29.234 1.00 0.00 C ATOM 0 H LEU A 720 10.958 -20.860 -27.393 1.00 0.00 H new ATOM 0 HA LEU A 720 10.092 -18.046 -27.423 1.00 0.00 H new ATOM 0 HB2 LEU A 720 8.916 -20.291 -28.422 1.00 0.00 H new ATOM 0 HB3 LEU A 720 8.226 -20.288 -26.812 1.00 0.00 H new ATOM 0 HG LEU A 720 6.718 -19.165 -28.314 1.00 0.00 H new ATOM 0 HD11 LEU A 720 6.528 -16.965 -27.226 1.00 0.00 H new ATOM 0 HD12 LEU A 720 6.872 -18.255 -26.050 1.00 0.00 H new ATOM 0 HD13 LEU A 720 8.171 -17.153 -26.567 1.00 0.00 H new ATOM 0 HD21 LEU A 720 7.369 -17.130 -29.542 1.00 0.00 H new ATOM 0 HD22 LEU A 720 9.044 -17.327 -28.973 1.00 0.00 H new ATOM 0 HD23 LEU A 720 8.322 -18.542 -30.054 1.00 0.00 H new ATOM 145 N TYR A 721 11.044 -18.990 -24.851 1.00 0.00 N ATOM 146 CA TYR A 721 11.105 -18.908 -23.396 1.00 0.00 C ATOM 147 C TYR A 721 11.600 -17.537 -22.946 1.00 0.00 C ATOM 148 O TYR A 721 11.292 -17.087 -21.843 1.00 0.00 O ATOM 149 CB TYR A 721 12.018 -20.002 -22.840 1.00 0.00 C ATOM 150 CG TYR A 721 11.629 -20.474 -21.458 1.00 0.00 C ATOM 151 CD1 TYR A 721 10.554 -21.334 -21.274 1.00 0.00 C ATOM 152 CD2 TYR A 721 12.335 -20.056 -20.336 1.00 0.00 C ATOM 153 CE1 TYR A 721 10.195 -21.768 -20.012 1.00 0.00 C ATOM 154 CE2 TYR A 721 11.983 -20.487 -19.071 1.00 0.00 C ATOM 155 CZ TYR A 721 10.912 -21.342 -18.914 1.00 0.00 C ATOM 156 OH TYR A 721 10.558 -21.771 -17.655 1.00 0.00 O ATOM 0 H TYR A 721 11.952 -19.073 -25.308 1.00 0.00 H new ATOM 0 HA TYR A 721 10.097 -19.054 -23.007 1.00 0.00 H new ATOM 0 HB2 TYR A 721 12.007 -20.853 -23.521 1.00 0.00 H new ATOM 0 HB3 TYR A 721 13.042 -19.629 -22.812 1.00 0.00 H new ATOM 0 HD1 TYR A 721 9.989 -21.669 -22.131 1.00 0.00 H new ATOM 0 HD2 TYR A 721 13.172 -19.384 -20.455 1.00 0.00 H new ATOM 0 HE1 TYR A 721 9.357 -22.438 -19.886 1.00 0.00 H new ATOM 0 HE2 TYR A 721 12.544 -20.156 -18.209 1.00 0.00 H new ATOM 0 HH TYR A 721 11.165 -21.379 -16.993 1.00 0.00 H new ATOM 166 N SER A 722 12.366 -16.882 -23.808 1.00 0.00 N ATOM 167 CA SER A 722 12.904 -15.561 -23.505 1.00 0.00 C ATOM 168 C SER A 722 11.785 -14.554 -23.256 1.00 0.00 C ATOM 169 O SER A 722 11.993 -13.533 -22.603 1.00 0.00 O ATOM 170 CB SER A 722 13.796 -15.077 -24.650 1.00 0.00 C ATOM 171 OG SER A 722 15.146 -15.454 -24.440 1.00 0.00 O ATOM 0 H SER A 722 12.630 -17.244 -24.724 1.00 0.00 H new ATOM 0 HA SER A 722 13.500 -15.642 -22.596 1.00 0.00 H new ATOM 0 HB2 SER A 722 13.441 -15.494 -25.593 1.00 0.00 H new ATOM 0 HB3 SER A 722 13.727 -13.993 -24.735 1.00 0.00 H new ATOM 0 HG SER A 722 15.695 -15.134 -25.186 1.00 0.00 H new ATOM 177 N ASP A 723 10.598 -14.844 -23.782 1.00 0.00 N ATOM 178 CA ASP A 723 9.451 -13.960 -23.612 1.00 0.00 C ATOM 179 C ASP A 723 9.057 -13.858 -22.141 1.00 0.00 C ATOM 180 O ASP A 723 9.031 -12.768 -21.569 1.00 0.00 O ATOM 181 CB ASP A 723 8.264 -14.461 -24.437 1.00 0.00 C ATOM 182 CG ASP A 723 8.473 -14.269 -25.925 1.00 0.00 C ATOM 183 OD1 ASP A 723 9.228 -15.062 -26.527 1.00 0.00 O ATOM 184 OD2 ASP A 723 7.882 -13.325 -26.491 1.00 0.00 O ATOM 0 H ASP A 723 10.406 -15.684 -24.329 1.00 0.00 H new ATOM 0 HA ASP A 723 9.734 -12.968 -23.964 1.00 0.00 H new ATOM 0 HB2 ASP A 723 8.101 -15.519 -24.229 1.00 0.00 H new ATOM 0 HB3 ASP A 723 7.362 -13.933 -24.128 1.00 0.00 H new ATOM 189 N TYR A 724 8.752 -15.001 -21.537 1.00 0.00 N ATOM 190 CA TYR A 724 8.360 -15.048 -20.135 1.00 0.00 C ATOM 191 C TYR A 724 9.541 -14.692 -19.232 1.00 0.00 C ATOM 192 O TYR A 724 9.361 -14.126 -18.153 1.00 0.00 O ATOM 193 CB TYR A 724 7.819 -16.440 -19.788 1.00 0.00 C ATOM 194 CG TYR A 724 7.982 -16.822 -18.334 1.00 0.00 C ATOM 195 CD1 TYR A 724 9.185 -17.331 -17.863 1.00 0.00 C ATOM 196 CD2 TYR A 724 6.936 -16.669 -17.433 1.00 0.00 C ATOM 197 CE1 TYR A 724 9.344 -17.677 -16.535 1.00 0.00 C ATOM 198 CE2 TYR A 724 7.086 -17.013 -16.103 1.00 0.00 C ATOM 199 CZ TYR A 724 8.292 -17.515 -15.660 1.00 0.00 C ATOM 200 OH TYR A 724 8.444 -17.859 -14.336 1.00 0.00 O ATOM 0 H TYR A 724 8.769 -15.910 -21.999 1.00 0.00 H new ATOM 0 HA TYR A 724 7.572 -14.313 -19.969 1.00 0.00 H new ATOM 0 HB2 TYR A 724 6.761 -16.482 -20.047 1.00 0.00 H new ATOM 0 HB3 TYR A 724 8.328 -17.180 -20.406 1.00 0.00 H new ATOM 0 HD1 TYR A 724 10.011 -17.459 -18.547 1.00 0.00 H new ATOM 0 HD2 TYR A 724 5.991 -16.275 -17.777 1.00 0.00 H new ATOM 0 HE1 TYR A 724 10.286 -18.072 -16.185 1.00 0.00 H new ATOM 0 HE2 TYR A 724 6.263 -16.889 -15.414 1.00 0.00 H new ATOM 0 HH TYR A 724 8.421 -17.050 -13.783 1.00 0.00 H new ATOM 210 N VAL A 725 10.744 -15.031 -19.678 1.00 0.00 N ATOM 211 CA VAL A 725 11.951 -14.754 -18.911 1.00 0.00 C ATOM 212 C VAL A 725 12.356 -13.286 -19.034 1.00 0.00 C ATOM 213 O VAL A 725 12.910 -12.704 -18.103 1.00 0.00 O ATOM 214 CB VAL A 725 13.118 -15.653 -19.373 1.00 0.00 C ATOM 215 CG1 VAL A 725 14.427 -15.237 -18.716 1.00 0.00 C ATOM 216 CG2 VAL A 725 12.806 -17.115 -19.079 1.00 0.00 C ATOM 0 H VAL A 725 10.910 -15.499 -20.569 1.00 0.00 H new ATOM 0 HA VAL A 725 11.729 -14.971 -17.866 1.00 0.00 H new ATOM 0 HB VAL A 725 13.236 -15.532 -20.450 1.00 0.00 H new ATOM 0 HG11 VAL A 725 15.230 -15.888 -19.061 1.00 0.00 H new ATOM 0 HG12 VAL A 725 14.656 -14.205 -18.983 1.00 0.00 H new ATOM 0 HG13 VAL A 725 14.333 -15.319 -17.633 1.00 0.00 H new ATOM 0 HG21 VAL A 725 13.637 -17.738 -19.410 1.00 0.00 H new ATOM 0 HG22 VAL A 725 12.658 -17.247 -18.007 1.00 0.00 H new ATOM 0 HG23 VAL A 725 11.900 -17.407 -19.609 1.00 0.00 H new ATOM 226 N ASP A 726 12.071 -12.693 -20.189 1.00 0.00 N ATOM 227 CA ASP A 726 12.403 -11.294 -20.430 1.00 0.00 C ATOM 228 C ASP A 726 11.716 -10.387 -19.413 1.00 0.00 C ATOM 229 O ASP A 726 12.202 -9.298 -19.110 1.00 0.00 O ATOM 230 CB ASP A 726 11.998 -10.887 -21.849 1.00 0.00 C ATOM 231 CG ASP A 726 13.130 -11.052 -22.844 1.00 0.00 C ATOM 232 OD1 ASP A 726 14.259 -10.617 -22.536 1.00 0.00 O ATOM 233 OD2 ASP A 726 12.887 -11.618 -23.931 1.00 0.00 O ATOM 0 H ASP A 726 11.612 -13.159 -20.971 1.00 0.00 H new ATOM 0 HA ASP A 726 13.482 -11.180 -20.321 1.00 0.00 H new ATOM 0 HB2 ASP A 726 11.147 -11.489 -22.168 1.00 0.00 H new ATOM 0 HB3 ASP A 726 11.669 -9.848 -21.846 1.00 0.00 H new ATOM 238 N VAL A 727 10.582 -10.844 -18.891 1.00 0.00 N ATOM 239 CA VAL A 727 9.829 -10.074 -17.909 1.00 0.00 C ATOM 240 C VAL A 727 10.516 -10.097 -16.547 1.00 0.00 C ATOM 241 O VAL A 727 10.421 -9.142 -15.776 1.00 0.00 O ATOM 242 CB VAL A 727 8.392 -10.609 -17.755 1.00 0.00 C ATOM 243 CG1 VAL A 727 7.575 -9.701 -16.847 1.00 0.00 C ATOM 244 CG2 VAL A 727 7.726 -10.752 -19.116 1.00 0.00 C ATOM 0 H VAL A 727 10.165 -11.743 -19.132 1.00 0.00 H new ATOM 0 HA VAL A 727 9.789 -9.048 -18.276 1.00 0.00 H new ATOM 0 HB VAL A 727 8.441 -11.595 -17.294 1.00 0.00 H new ATOM 0 HG11 VAL A 727 6.564 -10.096 -16.752 1.00 0.00 H new ATOM 0 HG12 VAL A 727 8.041 -9.656 -15.863 1.00 0.00 H new ATOM 0 HG13 VAL A 727 7.534 -8.700 -17.275 1.00 0.00 H new ATOM 0 HG21 VAL A 727 6.712 -11.131 -18.987 1.00 0.00 H new ATOM 0 HG22 VAL A 727 7.690 -9.780 -19.607 1.00 0.00 H new ATOM 0 HG23 VAL A 727 8.298 -11.448 -19.730 1.00 0.00 H new ATOM 254 N PHE A 728 11.207 -11.195 -16.257 1.00 0.00 N ATOM 255 CA PHE A 728 11.909 -11.342 -14.988 1.00 0.00 C ATOM 256 C PHE A 728 13.336 -10.812 -15.088 1.00 0.00 C ATOM 257 O PHE A 728 13.901 -10.336 -14.102 1.00 0.00 O ATOM 258 CB PHE A 728 11.930 -12.812 -14.561 1.00 0.00 C ATOM 259 CG PHE A 728 10.574 -13.349 -14.198 1.00 0.00 C ATOM 260 CD1 PHE A 728 9.577 -13.450 -15.153 1.00 0.00 C ATOM 261 CD2 PHE A 728 10.301 -13.755 -12.902 1.00 0.00 C ATOM 262 CE1 PHE A 728 8.329 -13.944 -14.822 1.00 0.00 C ATOM 263 CE2 PHE A 728 9.055 -14.251 -12.564 1.00 0.00 C ATOM 264 CZ PHE A 728 8.067 -14.345 -13.526 1.00 0.00 C ATOM 0 H PHE A 728 11.295 -11.995 -16.883 1.00 0.00 H new ATOM 0 HA PHE A 728 11.376 -10.758 -14.238 1.00 0.00 H new ATOM 0 HB2 PHE A 728 12.345 -13.412 -15.371 1.00 0.00 H new ATOM 0 HB3 PHE A 728 12.598 -12.925 -13.707 1.00 0.00 H new ATOM 0 HD1 PHE A 728 9.776 -13.139 -16.168 1.00 0.00 H new ATOM 0 HD2 PHE A 728 11.070 -13.683 -12.147 1.00 0.00 H new ATOM 0 HE1 PHE A 728 7.559 -14.016 -15.576 1.00 0.00 H new ATOM 0 HE2 PHE A 728 8.854 -14.564 -11.550 1.00 0.00 H new ATOM 0 HZ PHE A 728 7.093 -14.731 -13.265 1.00 0.00 H new ATOM 274 N TYR A 729 13.913 -10.894 -16.282 1.00 0.00 N ATOM 275 CA TYR A 729 15.274 -10.422 -16.508 1.00 0.00 C ATOM 276 C TYR A 729 15.273 -8.982 -17.014 1.00 0.00 C ATOM 277 O TYR A 729 15.966 -8.650 -17.978 1.00 0.00 O ATOM 278 CB TYR A 729 15.990 -11.329 -17.510 1.00 0.00 C ATOM 279 CG TYR A 729 16.610 -12.557 -16.880 1.00 0.00 C ATOM 280 CD1 TYR A 729 15.826 -13.484 -16.203 1.00 0.00 C ATOM 281 CD2 TYR A 729 17.977 -12.789 -16.962 1.00 0.00 C ATOM 282 CE1 TYR A 729 16.388 -14.606 -15.626 1.00 0.00 C ATOM 283 CE2 TYR A 729 18.546 -13.908 -16.388 1.00 0.00 C ATOM 284 CZ TYR A 729 17.748 -14.814 -15.721 1.00 0.00 C ATOM 285 OH TYR A 729 18.310 -15.932 -15.148 1.00 0.00 O ATOM 0 H TYR A 729 13.459 -11.283 -17.108 1.00 0.00 H new ATOM 0 HA TYR A 729 15.807 -10.453 -15.557 1.00 0.00 H new ATOM 0 HB2 TYR A 729 15.280 -11.643 -18.275 1.00 0.00 H new ATOM 0 HB3 TYR A 729 16.769 -10.757 -18.013 1.00 0.00 H new ATOM 0 HD1 TYR A 729 14.761 -13.324 -16.127 1.00 0.00 H new ATOM 0 HD2 TYR A 729 18.605 -12.082 -17.484 1.00 0.00 H new ATOM 0 HE1 TYR A 729 15.765 -15.317 -15.103 1.00 0.00 H new ATOM 0 HE2 TYR A 729 19.611 -14.073 -16.461 1.00 0.00 H new ATOM 0 HH TYR A 729 19.277 -15.930 -15.306 1.00 0.00 H new ATOM 295 N ASN A 730 14.494 -8.129 -16.356 1.00 0.00 N ATOM 296 CA ASN A 730 14.404 -6.725 -16.739 1.00 0.00 C ATOM 297 C ASN A 730 13.504 -5.957 -15.776 1.00 0.00 C ATOM 298 O ASN A 730 12.282 -5.939 -15.933 1.00 0.00 O ATOM 299 CB ASN A 730 13.873 -6.595 -18.169 1.00 0.00 C ATOM 300 CG ASN A 730 14.984 -6.387 -19.180 1.00 0.00 C ATOM 301 OD1 ASN A 730 15.751 -5.427 -19.089 1.00 0.00 O ATOM 302 ND2 ASN A 730 15.075 -7.286 -20.152 1.00 0.00 N ATOM 0 H ASN A 730 13.916 -8.386 -15.555 1.00 0.00 H new ATOM 0 HA ASN A 730 15.405 -6.296 -16.693 1.00 0.00 H new ATOM 0 HB2 ASN A 730 13.312 -7.493 -18.429 1.00 0.00 H new ATOM 0 HB3 ASN A 730 13.177 -5.758 -18.221 1.00 0.00 H new ATOM 0 HD21 ASN A 730 15.802 -7.197 -20.862 1.00 0.00 H new ATOM 0 HD22 ASN A 730 14.418 -8.066 -20.189 1.00 0.00 H new ATOM 309 N THR A 731 14.114 -5.322 -14.781 1.00 0.00 N ATOM 310 CA THR A 731 13.367 -4.552 -13.793 1.00 0.00 C ATOM 311 C THR A 731 12.769 -3.297 -14.421 1.00 0.00 C ATOM 312 O THR A 731 12.959 -3.034 -15.608 1.00 0.00 O ATOM 313 CB THR A 731 14.276 -4.168 -12.623 1.00 0.00 C ATOM 314 OG1 THR A 731 15.179 -3.147 -13.005 1.00 0.00 O ATOM 315 CG2 THR A 731 15.090 -5.326 -12.093 1.00 0.00 C ATOM 0 H THR A 731 15.124 -5.325 -14.637 1.00 0.00 H new ATOM 0 HA THR A 731 12.552 -5.174 -13.423 1.00 0.00 H new ATOM 0 HB THR A 731 13.604 -3.827 -11.835 1.00 0.00 H new ATOM 0 HG1 THR A 731 15.750 -2.914 -12.244 1.00 0.00 H new ATOM 0 HG21 THR A 731 15.712 -4.985 -11.265 1.00 0.00 H new ATOM 0 HG22 THR A 731 14.420 -6.112 -11.744 1.00 0.00 H new ATOM 0 HG23 THR A 731 15.726 -5.718 -12.887 1.00 0.00 H new ATOM 323 N LYS A 732 12.045 -2.527 -13.616 1.00 0.00 N ATOM 324 CA LYS A 732 11.418 -1.300 -14.092 1.00 0.00 C ATOM 325 C LYS A 732 11.055 -0.384 -12.924 1.00 0.00 C ATOM 326 O LYS A 732 9.899 -0.331 -12.503 1.00 0.00 O ATOM 327 CB LYS A 732 10.166 -1.625 -14.908 1.00 0.00 C ATOM 328 CG LYS A 732 9.909 -0.646 -16.042 1.00 0.00 C ATOM 329 CD LYS A 732 9.305 -1.342 -17.253 1.00 0.00 C ATOM 330 CE LYS A 732 10.381 -1.828 -18.209 1.00 0.00 C ATOM 331 NZ LYS A 732 9.891 -1.882 -19.615 1.00 0.00 N ATOM 0 H LYS A 732 11.878 -2.731 -12.631 1.00 0.00 H new ATOM 0 HA LYS A 732 12.134 -0.780 -14.729 1.00 0.00 H new ATOM 0 HB2 LYS A 732 10.262 -2.629 -15.321 1.00 0.00 H new ATOM 0 HB3 LYS A 732 9.302 -1.634 -14.244 1.00 0.00 H new ATOM 0 HG2 LYS A 732 9.236 0.140 -15.700 1.00 0.00 H new ATOM 0 HG3 LYS A 732 10.844 -0.164 -16.327 1.00 0.00 H new ATOM 0 HD2 LYS A 732 8.700 -2.187 -16.924 1.00 0.00 H new ATOM 0 HD3 LYS A 732 8.637 -0.655 -17.773 1.00 0.00 H new ATOM 0 HE2 LYS A 732 11.245 -1.166 -18.151 1.00 0.00 H new ATOM 0 HE3 LYS A 732 10.718 -2.819 -17.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 10.654 -2.218 -20.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 9.083 -2.533 -19.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 9.593 -0.932 -19.916 1.00 0.00 H new ATOM 345 N PRO A 733 12.042 0.349 -12.384 1.00 0.00 N ATOM 346 CA PRO A 733 11.822 1.265 -11.259 1.00 0.00 C ATOM 347 C PRO A 733 10.997 2.484 -11.659 1.00 0.00 C ATOM 348 O PRO A 733 11.477 3.617 -11.605 1.00 0.00 O ATOM 349 CB PRO A 733 13.238 1.683 -10.856 1.00 0.00 C ATOM 350 CG PRO A 733 14.048 1.515 -12.095 1.00 0.00 C ATOM 351 CD PRO A 733 13.450 0.345 -12.826 1.00 0.00 C ATOM 0 HA PRO A 733 11.260 0.793 -10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 733 13.262 2.714 -10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 733 13.619 1.061 -10.046 1.00 0.00 H new ATOM 0 HG2 PRO A 733 14.015 2.416 -12.708 1.00 0.00 H new ATOM 0 HG3 PRO A 733 15.095 1.331 -11.855 1.00 0.00 H new ATOM 0 HD2 PRO A 733 13.532 0.462 -13.907 1.00 0.00 H new ATOM 0 HD3 PRO A 733 13.950 -0.588 -12.567 1.00 0.00 H new ATOM 359 N TYR A 734 9.753 2.245 -12.062 1.00 0.00 N ATOM 360 CA TYR A 734 8.861 3.322 -12.470 1.00 0.00 C ATOM 361 C TYR A 734 7.549 3.265 -11.697 1.00 0.00 C ATOM 362 O TYR A 734 7.080 4.276 -11.171 1.00 0.00 O ATOM 363 CB TYR A 734 8.584 3.241 -13.973 1.00 0.00 C ATOM 364 CG TYR A 734 9.753 3.674 -14.829 1.00 0.00 C ATOM 365 CD1 TYR A 734 10.464 4.831 -14.534 1.00 0.00 C ATOM 366 CD2 TYR A 734 10.145 2.927 -15.932 1.00 0.00 C ATOM 367 CE1 TYR A 734 11.532 5.231 -15.313 1.00 0.00 C ATOM 368 CE2 TYR A 734 11.213 3.319 -16.716 1.00 0.00 C ATOM 369 CZ TYR A 734 11.903 4.471 -16.403 1.00 0.00 C ATOM 370 OH TYR A 734 12.966 4.866 -17.183 1.00 0.00 O ATOM 0 H TYR A 734 9.340 1.314 -12.114 1.00 0.00 H new ATOM 0 HA TYR A 734 9.352 4.270 -12.248 1.00 0.00 H new ATOM 0 HB2 TYR A 734 8.317 2.216 -14.230 1.00 0.00 H new ATOM 0 HB3 TYR A 734 7.721 3.864 -14.209 1.00 0.00 H new ATOM 0 HD1 TYR A 734 10.176 5.428 -13.681 1.00 0.00 H new ATOM 0 HD2 TYR A 734 9.606 2.025 -16.181 1.00 0.00 H new ATOM 0 HE1 TYR A 734 12.074 6.133 -15.070 1.00 0.00 H new ATOM 0 HE2 TYR A 734 11.506 2.726 -17.570 1.00 0.00 H new ATOM 0 HH TYR A 734 13.097 4.221 -17.909 1.00 0.00 H new ATOM 380 N LYS A 735 6.958 2.077 -11.629 1.00 0.00 N ATOM 381 CA LYS A 735 5.698 1.888 -10.920 1.00 0.00 C ATOM 382 C LYS A 735 4.596 2.748 -11.527 1.00 0.00 C ATOM 383 O LYS A 735 4.326 3.853 -11.056 1.00 0.00 O ATOM 384 CB LYS A 735 5.868 2.228 -9.437 1.00 0.00 C ATOM 385 CG LYS A 735 7.127 1.641 -8.819 1.00 0.00 C ATOM 386 CD LYS A 735 7.492 2.348 -7.525 1.00 0.00 C ATOM 387 CE LYS A 735 8.971 2.194 -7.206 1.00 0.00 C ATOM 388 NZ LYS A 735 9.540 3.428 -6.596 1.00 0.00 N ATOM 0 H LYS A 735 7.332 1.230 -12.057 1.00 0.00 H new ATOM 0 HA LYS A 735 5.410 0.841 -11.016 1.00 0.00 H new ATOM 0 HB2 LYS A 735 5.888 3.312 -9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 735 5.000 1.864 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 735 6.978 0.579 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 735 7.953 1.723 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 735 7.244 3.406 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 735 6.898 1.942 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 735 9.110 1.355 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 735 9.516 1.956 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 10.550 3.282 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 9.431 4.224 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 9.037 3.641 -5.711 1.00 0.00 H new ATOM 402 N HIS A 736 3.960 2.234 -12.576 1.00 0.00 N ATOM 403 CA HIS A 736 2.887 2.957 -13.248 1.00 0.00 C ATOM 404 C HIS A 736 1.736 3.239 -12.286 1.00 0.00 C ATOM 405 O HIS A 736 1.580 2.558 -11.274 1.00 0.00 O ATOM 406 CB HIS A 736 2.379 2.155 -14.448 1.00 0.00 C ATOM 407 CG HIS A 736 3.302 2.192 -15.626 1.00 0.00 C ATOM 408 ND1 HIS A 736 4.670 2.311 -15.508 1.00 0.00 N ATOM 409 CD2 HIS A 736 3.045 2.125 -16.954 1.00 0.00 C ATOM 410 CE1 HIS A 736 5.217 2.316 -16.711 1.00 0.00 C ATOM 411 NE2 HIS A 736 4.252 2.204 -17.605 1.00 0.00 N ATOM 0 H HIS A 736 4.170 1.320 -12.978 1.00 0.00 H new ATOM 0 HA HIS A 736 3.286 3.909 -13.598 1.00 0.00 H new ATOM 0 HB2 HIS A 736 2.231 1.118 -14.145 1.00 0.00 H new ATOM 0 HB3 HIS A 736 1.405 2.542 -14.747 1.00 0.00 H new ATOM 0 HD2 HIS A 736 2.073 2.028 -17.415 1.00 0.00 H new ATOM 0 HE1 HIS A 736 6.272 2.398 -16.926 1.00 0.00 H new ATOM 0 HE2 HIS A 736 4.382 2.180 -18.616 1.00 0.00 H new ATOM 420 N ARG A 737 0.935 4.248 -12.611 1.00 0.00 N ATOM 421 CA ARG A 737 -0.201 4.620 -11.776 1.00 0.00 C ATOM 422 C ARG A 737 -1.498 4.030 -12.323 1.00 0.00 C ATOM 423 O ARG A 737 -2.574 4.604 -12.150 1.00 0.00 O ATOM 424 CB ARG A 737 -0.318 6.143 -11.687 1.00 0.00 C ATOM 425 CG ARG A 737 1.007 6.839 -11.422 1.00 0.00 C ATOM 426 CD ARG A 737 0.809 8.144 -10.668 1.00 0.00 C ATOM 427 NE ARG A 737 1.972 9.022 -10.777 1.00 0.00 N ATOM 428 CZ ARG A 737 2.208 10.044 -9.958 1.00 0.00 C ATOM 429 NH1 ARG A 737 1.367 10.320 -8.969 1.00 0.00 N ATOM 430 NH2 ARG A 737 3.290 10.792 -10.127 1.00 0.00 N ATOM 0 H ARG A 737 1.051 4.822 -13.446 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.033 4.216 -10.778 1.00 0.00 H new ATOM 0 HB2 ARG A 737 -0.738 6.522 -12.618 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -1.019 6.400 -10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 737 1.657 6.180 -10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 737 1.511 7.037 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 737 -0.070 8.657 -11.057 1.00 0.00 H new ATOM 0 HD3 ARG A 737 0.614 7.929 -9.617 1.00 0.00 H new ATOM 0 HE ARG A 737 2.642 8.841 -11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 737 0.534 9.747 -8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 737 1.554 11.105 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 737 3.941 10.584 -10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 737 3.471 11.575 -9.500 1.00 0.00 H new ATOM 444 N ASP A 738 -1.389 2.882 -12.983 1.00 0.00 N ATOM 445 CA ASP A 738 -2.553 2.216 -13.554 1.00 0.00 C ATOM 446 C ASP A 738 -3.309 1.432 -12.486 1.00 0.00 C ATOM 447 O ASP A 738 -4.535 1.335 -12.524 1.00 0.00 O ATOM 448 CB ASP A 738 -2.127 1.279 -14.685 1.00 0.00 C ATOM 449 CG ASP A 738 -2.131 1.965 -16.038 1.00 0.00 C ATOM 450 OD1 ASP A 738 -3.206 2.440 -16.458 1.00 0.00 O ATOM 451 OD2 ASP A 738 -1.059 2.026 -16.676 1.00 0.00 O ATOM 0 H ASP A 738 -0.507 2.394 -13.136 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.217 2.981 -13.956 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -1.128 0.895 -14.478 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -2.798 0.421 -14.714 1.00 0.00 H new ATOM 456 N ASP A 739 -2.568 0.872 -11.536 1.00 0.00 N ATOM 457 CA ASP A 739 -3.169 0.097 -10.457 1.00 0.00 C ATOM 458 C ASP A 739 -4.038 0.980 -9.569 1.00 0.00 C ATOM 459 O ASP A 739 -5.133 0.587 -9.168 1.00 0.00 O ATOM 460 CB ASP A 739 -2.081 -0.577 -9.617 1.00 0.00 C ATOM 461 CG ASP A 739 -1.613 -1.888 -10.218 1.00 0.00 C ATOM 462 OD1 ASP A 739 -1.755 -2.061 -11.447 1.00 0.00 O ATOM 463 OD2 ASP A 739 -1.108 -2.741 -9.460 1.00 0.00 O ATOM 0 H ASP A 739 -1.551 0.940 -11.491 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.801 -0.670 -10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.231 0.098 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -2.462 -0.757 -8.612 1.00 0.00 H new ATOM 468 N ARG A 740 -3.543 2.174 -9.265 1.00 0.00 N ATOM 469 CA ARG A 740 -4.274 3.114 -8.423 1.00 0.00 C ATOM 470 C ARG A 740 -5.614 3.479 -9.056 1.00 0.00 C ATOM 471 O ARG A 740 -6.602 3.699 -8.355 1.00 0.00 O ATOM 472 CB ARG A 740 -3.445 4.378 -8.193 1.00 0.00 C ATOM 473 CG ARG A 740 -4.044 5.318 -7.158 1.00 0.00 C ATOM 474 CD ARG A 740 -3.771 6.772 -7.506 1.00 0.00 C ATOM 475 NE ARG A 740 -4.814 7.337 -8.358 1.00 0.00 N ATOM 476 CZ ARG A 740 -4.965 8.641 -8.580 1.00 0.00 C ATOM 477 NH1 ARG A 740 -4.143 9.517 -8.015 1.00 0.00 N ATOM 478 NH2 ARG A 740 -5.940 9.070 -9.369 1.00 0.00 N ATOM 0 H ARG A 740 -2.638 2.515 -9.589 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.463 2.633 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.442 4.092 -7.875 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.340 4.911 -9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -5.120 5.153 -7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -3.628 5.093 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -3.696 7.356 -6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -2.809 6.849 -8.012 1.00 0.00 H new ATOM 0 HE ARG A 740 -5.465 6.695 -8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -3.391 9.192 -7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -4.263 10.515 -8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -6.574 8.401 -9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -6.056 10.069 -9.539 1.00 0.00 H new ATOM 492 N LEU A 741 -5.641 3.539 -10.383 1.00 0.00 N ATOM 493 CA LEU A 741 -6.863 3.874 -11.104 1.00 0.00 C ATOM 494 C LEU A 741 -7.951 2.843 -10.826 1.00 0.00 C ATOM 495 O LEU A 741 -9.120 3.190 -10.659 1.00 0.00 O ATOM 496 CB LEU A 741 -6.589 3.955 -12.607 1.00 0.00 C ATOM 497 CG LEU A 741 -5.934 5.255 -13.076 1.00 0.00 C ATOM 498 CD1 LEU A 741 -5.298 5.068 -14.445 1.00 0.00 C ATOM 499 CD2 LEU A 741 -6.955 6.383 -13.110 1.00 0.00 C ATOM 0 H LEU A 741 -4.833 3.361 -10.979 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.209 4.847 -10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.948 3.120 -12.890 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.531 3.828 -13.140 1.00 0.00 H new ATOM 0 HG LEU A 741 -5.150 5.522 -12.367 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.837 6.003 -14.763 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.538 4.289 -14.390 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -6.063 4.778 -15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.472 7.301 -13.446 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -7.760 6.124 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.365 6.533 -12.111 1.00 0.00 H new ATOM 511 N LEU A 742 -7.557 1.575 -10.772 1.00 0.00 N ATOM 512 CA LEU A 742 -8.498 0.494 -10.508 1.00 0.00 C ATOM 513 C LEU A 742 -9.206 0.710 -9.176 1.00 0.00 C ATOM 514 O LEU A 742 -10.389 0.403 -9.035 1.00 0.00 O ATOM 515 CB LEU A 742 -7.774 -0.853 -10.504 1.00 0.00 C ATOM 516 CG LEU A 742 -7.013 -1.183 -11.790 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.300 -2.520 -11.659 1.00 0.00 C ATOM 518 CD2 LEU A 742 -7.959 -1.198 -12.980 1.00 0.00 C ATOM 0 H LEU A 742 -6.593 1.271 -10.908 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.245 0.491 -11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -7.072 -0.868 -9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.505 -1.641 -10.320 1.00 0.00 H new ATOM 0 HG LEU A 742 -6.264 -0.408 -11.955 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -5.764 -2.739 -12.583 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.593 -2.476 -10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -7.032 -3.305 -11.469 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -7.401 -1.434 -13.886 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -8.730 -1.952 -12.822 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -8.425 -0.219 -13.086 1.00 0.00 H new ATOM 530 N GLN A 743 -8.475 1.246 -8.203 1.00 0.00 N ATOM 531 CA GLN A 743 -9.036 1.510 -6.885 1.00 0.00 C ATOM 532 C GLN A 743 -10.194 2.496 -6.983 1.00 0.00 C ATOM 533 O GLN A 743 -11.255 2.284 -6.395 1.00 0.00 O ATOM 534 CB GLN A 743 -7.959 2.056 -5.946 1.00 0.00 C ATOM 535 CG GLN A 743 -7.267 0.981 -5.124 1.00 0.00 C ATOM 536 CD GLN A 743 -6.159 0.286 -5.888 1.00 0.00 C ATOM 537 OE1 GLN A 743 -4.978 0.584 -5.704 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.534 -0.649 -6.754 1.00 0.00 N ATOM 0 H GLN A 743 -7.494 1.505 -8.304 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.412 0.571 -6.479 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.212 2.589 -6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.411 2.783 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.854 1.429 -4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -8.003 0.242 -4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.524 -0.864 -6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -5.832 -1.151 -7.298 1.00 0.00 H new ATOM 547 N ALA A 744 -9.986 3.576 -7.730 1.00 0.00 N ATOM 548 CA ALA A 744 -11.014 4.589 -7.905 1.00 0.00 C ATOM 549 C ALA A 744 -12.155 4.066 -8.768 1.00 0.00 C ATOM 550 O ALA A 744 -13.326 4.202 -8.413 1.00 0.00 O ATOM 551 CB ALA A 744 -10.419 5.850 -8.515 1.00 0.00 C ATOM 0 H ALA A 744 -9.114 3.770 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.419 4.834 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.202 6.598 -8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.644 6.242 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.985 5.614 -9.487 1.00 0.00 H new ATOM 557 N LEU A 745 -11.808 3.460 -9.899 1.00 0.00 N ATOM 558 CA LEU A 745 -12.807 2.911 -10.807 1.00 0.00 C ATOM 559 C LEU A 745 -13.647 1.854 -10.099 1.00 0.00 C ATOM 560 O LEU A 745 -14.875 1.857 -10.189 1.00 0.00 O ATOM 561 CB LEU A 745 -12.135 2.304 -12.042 1.00 0.00 C ATOM 562 CG LEU A 745 -11.152 3.226 -12.767 1.00 0.00 C ATOM 563 CD1 LEU A 745 -10.031 2.420 -13.410 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.878 4.058 -13.815 1.00 0.00 C ATOM 0 H LEU A 745 -10.844 3.337 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.460 3.723 -11.127 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.606 1.400 -11.741 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.910 2.000 -12.746 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.710 3.900 -12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.344 3.095 -13.920 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.492 1.867 -12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.453 1.720 -14.131 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -11.165 4.708 -14.321 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.347 3.397 -14.544 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.643 4.666 -13.331 1.00 0.00 H new ATOM 576 N MET A 746 -12.976 0.955 -9.387 1.00 0.00 N ATOM 577 CA MET A 746 -13.661 -0.104 -8.656 1.00 0.00 C ATOM 578 C MET A 746 -14.473 0.476 -7.504 1.00 0.00 C ATOM 579 O MET A 746 -15.569 0.006 -7.202 1.00 0.00 O ATOM 580 CB MET A 746 -12.651 -1.131 -8.131 1.00 0.00 C ATOM 581 CG MET A 746 -11.927 -0.700 -6.864 1.00 0.00 C ATOM 582 SD MET A 746 -10.784 -1.956 -6.257 1.00 0.00 S ATOM 583 CE MET A 746 -11.343 -2.135 -4.565 1.00 0.00 C ATOM 0 H MET A 746 -11.960 0.939 -9.301 1.00 0.00 H new ATOM 0 HA MET A 746 -14.345 -0.606 -9.341 1.00 0.00 H new ATOM 0 HB2 MET A 746 -13.171 -2.070 -7.938 1.00 0.00 H new ATOM 0 HB3 MET A 746 -11.913 -1.329 -8.909 1.00 0.00 H new ATOM 0 HG2 MET A 746 -11.378 0.221 -7.059 1.00 0.00 H new ATOM 0 HG3 MET A 746 -12.660 -0.476 -6.089 1.00 0.00 H new ATOM 0 HE1 MET A 746 -10.731 -2.880 -4.057 1.00 0.00 H new ATOM 0 HE2 MET A 746 -11.253 -1.179 -4.049 1.00 0.00 H new ATOM 0 HE3 MET A 746 -12.385 -2.455 -4.558 1.00 0.00 H new ATOM 593 N ASP A 747 -13.925 1.505 -6.864 1.00 0.00 N ATOM 594 CA ASP A 747 -14.593 2.155 -5.742 1.00 0.00 C ATOM 595 C ASP A 747 -15.984 2.641 -6.142 1.00 0.00 C ATOM 596 O ASP A 747 -16.967 2.379 -5.448 1.00 0.00 O ATOM 597 CB ASP A 747 -13.758 3.331 -5.234 1.00 0.00 C ATOM 598 CG ASP A 747 -12.763 2.916 -4.168 1.00 0.00 C ATOM 599 OD1 ASP A 747 -13.090 2.013 -3.369 1.00 0.00 O ATOM 600 OD2 ASP A 747 -11.655 3.493 -4.133 1.00 0.00 O ATOM 0 H ASP A 747 -13.019 1.907 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.699 1.421 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -13.223 3.782 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -14.421 4.096 -4.830 1.00 0.00 H new ATOM 605 N ILE A 748 -16.059 3.346 -7.265 1.00 0.00 N ATOM 606 CA ILE A 748 -17.327 3.867 -7.758 1.00 0.00 C ATOM 607 C ILE A 748 -18.278 2.733 -8.129 1.00 0.00 C ATOM 608 O ILE A 748 -19.436 2.719 -7.709 1.00 0.00 O ATOM 609 CB ILE A 748 -17.123 4.777 -8.985 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.110 5.878 -8.669 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.448 5.383 -9.426 1.00 0.00 C ATOM 612 CD1 ILE A 748 -16.572 6.834 -7.592 1.00 0.00 C ATOM 0 H ILE A 748 -15.255 3.570 -7.851 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.764 4.455 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.733 4.172 -9.803 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -15.172 5.419 -8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.902 6.441 -9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.285 6.023 -10.293 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.143 4.586 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.866 5.975 -8.612 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -15.804 7.588 -7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -17.494 7.321 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -16.752 6.283 -6.669 1.00 0.00 H new ATOM 624 N LEU A 749 -17.782 1.785 -8.915 1.00 0.00 N ATOM 625 CA LEU A 749 -18.588 0.647 -9.342 1.00 0.00 C ATOM 626 C LEU A 749 -19.040 -0.180 -8.142 1.00 0.00 C ATOM 627 O LEU A 749 -20.178 -0.647 -8.092 1.00 0.00 O ATOM 628 CB LEU A 749 -17.795 -0.232 -10.311 1.00 0.00 C ATOM 629 CG LEU A 749 -17.449 0.426 -11.648 1.00 0.00 C ATOM 630 CD1 LEU A 749 -16.536 -0.473 -12.464 1.00 0.00 C ATOM 631 CD2 LEU A 749 -18.716 0.751 -12.425 1.00 0.00 C ATOM 0 H LEU A 749 -16.826 1.781 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.472 1.031 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -16.869 -0.539 -9.824 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -18.368 -1.138 -10.507 1.00 0.00 H new ATOM 0 HG LEU A 749 -16.921 1.358 -11.447 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -16.301 0.011 -13.412 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -15.615 -0.655 -11.911 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -17.037 -1.422 -12.656 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -18.451 1.219 -13.373 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -19.272 -0.167 -12.616 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -19.334 1.435 -11.843 1.00 0.00 H new ATOM 643 N ASN A 750 -18.142 -0.357 -7.179 1.00 0.00 N ATOM 644 CA ASN A 750 -18.451 -1.128 -5.979 1.00 0.00 C ATOM 645 C ASN A 750 -19.609 -0.500 -5.212 1.00 0.00 C ATOM 646 O ASN A 750 -20.590 -1.171 -4.891 1.00 0.00 O ATOM 647 CB ASN A 750 -17.217 -1.221 -5.078 1.00 0.00 C ATOM 648 CG ASN A 750 -16.387 -2.459 -5.359 1.00 0.00 C ATOM 649 OD1 ASN A 750 -16.316 -3.371 -4.537 1.00 0.00 O ATOM 650 ND2 ASN A 750 -15.757 -2.496 -6.528 1.00 0.00 N ATOM 0 H ASN A 750 -17.195 0.022 -7.205 1.00 0.00 H new ATOM 0 HA ASN A 750 -18.746 -2.131 -6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.600 -0.334 -5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.532 -1.227 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -15.186 -3.304 -6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -15.845 -1.716 -7.179 1.00 0.00 H new ATOM 657 N GLU A 751 -19.490 0.792 -4.921 1.00 0.00 N ATOM 658 CA GLU A 751 -20.529 1.509 -4.191 1.00 0.00 C ATOM 659 C GLU A 751 -21.849 1.480 -4.954 1.00 0.00 C ATOM 660 O GLU A 751 -22.923 1.482 -4.355 1.00 0.00 O ATOM 661 CB GLU A 751 -20.100 2.957 -3.945 1.00 0.00 C ATOM 662 CG GLU A 751 -18.925 3.090 -2.992 1.00 0.00 C ATOM 663 CD GLU A 751 -18.908 4.422 -2.267 1.00 0.00 C ATOM 664 OE1 GLU A 751 -18.393 5.404 -2.843 1.00 0.00 O ATOM 665 OE2 GLU A 751 -19.411 4.483 -1.127 1.00 0.00 O ATOM 0 H GLU A 751 -18.685 1.363 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.674 1.012 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -19.838 3.416 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -20.947 3.515 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -18.963 2.283 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -17.995 2.972 -3.549 1.00 0.00 H new ATOM 672 N GLU A 752 -21.760 1.454 -6.280 1.00 0.00 N ATOM 673 CA GLU A 752 -22.948 1.425 -7.126 1.00 0.00 C ATOM 674 C GLU A 752 -23.809 2.663 -6.898 1.00 0.00 C ATOM 675 O GLU A 752 -24.810 2.612 -6.181 1.00 0.00 O ATOM 676 CB GLU A 752 -23.765 0.162 -6.848 1.00 0.00 C ATOM 677 CG GLU A 752 -22.946 -1.117 -6.898 1.00 0.00 C ATOM 678 CD GLU A 752 -23.420 -2.154 -5.899 1.00 0.00 C ATOM 679 OE1 GLU A 752 -24.598 -2.086 -5.487 1.00 0.00 O ATOM 680 OE2 GLU A 752 -22.614 -3.032 -5.527 1.00 0.00 O ATOM 0 H GLU A 752 -20.878 1.452 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 752 -22.623 1.418 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -24.228 0.248 -5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -24.573 0.095 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -22.996 -1.537 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -21.900 -0.882 -6.703 1.00 0.00 H new ATOM 687 N ASN A 753 -23.413 3.774 -7.511 1.00 0.00 N ATOM 688 CA ASN A 753 -24.150 5.025 -7.373 1.00 0.00 C ATOM 689 C ASN A 753 -24.294 5.722 -8.723 1.00 0.00 C ATOM 690 O ASN A 753 -25.089 6.679 -8.812 1.00 0.00 O ATOM 691 CB ASN A 753 -23.442 5.951 -6.383 1.00 0.00 C ATOM 692 CG ASN A 753 -24.394 6.933 -5.729 1.00 0.00 C ATOM 693 OD1 ASN A 753 -25.613 6.794 -5.830 1.00 0.00 O ATOM 694 ND2 ASN A 753 -23.841 7.935 -5.055 1.00 0.00 N ATOM 695 OXT ASN A 753 -23.608 5.302 -9.680 1.00 0.00 O ATOM 0 H ASN A 753 -22.587 3.834 -8.107 1.00 0.00 H new ATOM 0 HA ASN A 753 -25.145 4.792 -6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -22.956 5.352 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -22.657 6.501 -6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -24.432 8.628 -4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -22.826 8.012 -4.997 1.00 0.00 H new TER 702 ASN A 753