USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 766 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 802 THR OG1 : rot -87:sc= 2.25 USER MOD Set 1.2: A 804 CYS SG : rot 80:sc= 1.32 USER MOD Set 2.1: A 739 SER OG : rot -89:sc= 1.04 USER MOD Set 2.2: A 782 THR OG1 : rot 119:sc= 2.53 USER MOD Set 3.1: A 778 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 781 LYS NZ :NH3+ -153:sc= -1.43 (180deg=-3.06!) USER MOD Set 4.1: A 754 THR OG1 : rot -101:sc= 1.24 USER MOD Set 4.2: A 797 SER OG : rot 180:sc= -0.0368 USER MOD Set 5.1: A 748 GLN : amide:sc= 0.387 K(o=1.1,f=0.42) USER MOD Set 5.2: A 776 ASN : amide:sc= 0.736 K(o=1.1,f=0.42) USER MOD Set 6.1: A 722 SER OG : rot -82:sc= -1.51! USER MOD Set 6.2: A 810 GLN : amide:sc= -5.21! C(o=-6.7!,f=-17!) USER MOD Single : A 720 LYS NZ :NH3+ -171:sc= -0.0163 (180deg=-0.133) USER MOD Single : A 724 SER OG : rot 180:sc= 0 USER MOD Single : A 726 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.18) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 732 LYS NZ :NH3+ -165:sc= 1.21 (180deg=0.969) USER MOD Single : A 734 CYS SG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 740 SER OG : rot 180:sc= 0 USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 752 THR OG1 : rot -165:sc= -0.264 USER MOD Single : A 755 TYR OH : rot -65:sc= -0.446 USER MOD Single : A 760 THR OG1 : rot -19:sc= 0.608 USER MOD Single : A 766 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.105) USER MOD Single : A 767 THR OG1 : rot -80:sc= 1.2 USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 775 THR OG1 : rot 180:sc= 0 USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 791 TYR OH : rot -139:sc= 0.824 USER MOD Single : A 794 SER OG : rot 180:sc= -0.16 USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot -25:sc= 0.26 USER MOD Single : A 809 SER OG : rot 180:sc= 0 USER MOD Single : A 814 LYS NZ :NH3+ 155:sc= -0.638 (180deg=-1.97!) USER MOD Single : A 816 GLN :FLIP amide:sc= -1.78! F(o=-2.3,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -16.698 2.483 -6.162 1.00 0.00 N ATOM 42 CA LYS A 720 -15.775 1.374 -6.133 1.00 0.00 C ATOM 43 C LYS A 720 -14.744 1.590 -5.041 1.00 0.00 C ATOM 44 O LYS A 720 -13.998 2.573 -5.064 1.00 0.00 O ATOM 45 CB LYS A 720 -15.090 1.218 -7.483 1.00 0.00 C ATOM 46 CG LYS A 720 -16.059 1.020 -8.629 1.00 0.00 C ATOM 47 CD LYS A 720 -16.675 -0.374 -8.632 1.00 0.00 C ATOM 48 CE LYS A 720 -15.631 -1.468 -8.823 1.00 0.00 C ATOM 49 NZ LYS A 720 -14.910 -1.346 -10.119 1.00 0.00 N ATOM 0 HA LYS A 720 -16.329 0.460 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -14.483 2.102 -7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -14.410 0.367 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -16.852 1.765 -8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -15.541 1.188 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -17.202 -0.538 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -17.416 -0.439 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -14.912 -1.426 -8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -16.117 -2.442 -8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -14.324 -2.191 -10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -15.599 -1.259 -10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -14.302 -0.502 -10.100 1.00 0.00 H new ATOM 63 N PRO A 721 -14.689 0.679 -4.070 1.00 0.00 N ATOM 64 CA PRO A 721 -13.764 0.780 -2.961 1.00 0.00 C ATOM 65 C PRO A 721 -12.375 0.350 -3.397 1.00 0.00 C ATOM 66 O PRO A 721 -12.225 -0.621 -4.140 1.00 0.00 O ATOM 67 CB PRO A 721 -14.346 -0.154 -1.896 1.00 0.00 C ATOM 68 CG PRO A 721 -15.475 -0.900 -2.547 1.00 0.00 C ATOM 69 CD PRO A 721 -15.475 -0.552 -4.009 1.00 0.00 C ATOM 0 HA PRO A 721 -13.654 1.797 -2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.586 -0.844 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.702 0.414 -1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -15.352 -1.974 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -16.426 -0.628 -2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -15.027 -1.344 -4.609 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.487 -0.401 -4.385 1.00 0.00 H new ATOM 77 N SER A 722 -11.364 1.080 -2.955 1.00 0.00 N ATOM 78 CA SER A 722 -10.039 0.952 -3.527 1.00 0.00 C ATOM 79 C SER A 722 -9.035 1.824 -2.752 1.00 0.00 C ATOM 80 O SER A 722 -9.230 2.060 -1.563 1.00 0.00 O ATOM 81 CB SER A 722 -10.141 1.341 -5.007 1.00 0.00 C ATOM 82 OG SER A 722 -10.908 2.519 -5.186 1.00 0.00 O ATOM 0 H SER A 722 -11.438 1.765 -2.203 1.00 0.00 H new ATOM 0 HA SER A 722 -9.669 -0.071 -3.452 1.00 0.00 H new ATOM 0 HB2 SER A 722 -9.141 1.492 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 722 -10.593 0.523 -5.568 1.00 0.00 H new ATOM 0 HG SER A 722 -11.861 2.292 -5.188 1.00 0.00 H new ATOM 88 N ALA A 723 -7.954 2.274 -3.393 1.00 0.00 N ATOM 89 CA ALA A 723 -6.985 3.148 -2.736 1.00 0.00 C ATOM 90 C ALA A 723 -6.189 3.941 -3.768 1.00 0.00 C ATOM 91 O ALA A 723 -5.998 3.490 -4.884 1.00 0.00 O ATOM 92 CB ALA A 723 -6.050 2.333 -1.856 1.00 0.00 C ATOM 0 H ALA A 723 -7.730 2.048 -4.362 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.528 3.853 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -5.334 2.997 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.630 1.810 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.515 1.606 -2.468 1.00 0.00 H new ATOM 98 N SER A 724 -5.726 5.126 -3.411 1.00 0.00 N ATOM 99 CA SER A 724 -4.950 5.928 -4.340 1.00 0.00 C ATOM 100 C SER A 724 -3.802 6.605 -3.610 1.00 0.00 C ATOM 101 O SER A 724 -3.989 7.623 -2.934 1.00 0.00 O ATOM 102 CB SER A 724 -5.850 6.963 -5.019 1.00 0.00 C ATOM 103 OG SER A 724 -6.934 6.328 -5.683 1.00 0.00 O ATOM 0 H SER A 724 -5.872 5.551 -2.495 1.00 0.00 H new ATOM 0 HA SER A 724 -4.532 5.280 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.232 7.663 -4.276 1.00 0.00 H new ATOM 0 HB3 SER A 724 -5.269 7.544 -5.735 1.00 0.00 H new ATOM 0 HG SER A 724 -7.499 7.006 -6.110 1.00 0.00 H new ATOM 109 N LEU A 725 -2.615 6.014 -3.718 1.00 0.00 N ATOM 110 CA LEU A 725 -1.465 6.486 -3.014 1.00 0.00 C ATOM 111 C LEU A 725 -1.143 7.930 -3.326 1.00 0.00 C ATOM 112 O LEU A 725 -1.282 8.411 -4.451 1.00 0.00 O ATOM 113 CB LEU A 725 -0.270 5.614 -3.329 1.00 0.00 C ATOM 114 CG LEU A 725 -0.267 4.230 -2.689 1.00 0.00 C ATOM 115 CD1 LEU A 725 -1.551 3.490 -2.899 1.00 0.00 C ATOM 116 CD2 LEU A 725 0.895 3.436 -3.179 1.00 0.00 C ATOM 0 H LEU A 725 -2.441 5.195 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.697 6.430 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 725 -0.208 5.493 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.632 6.140 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 725 -0.170 4.375 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 725 -1.490 2.512 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 725 -2.373 4.057 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 725 -1.727 3.362 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 725 0.884 2.450 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 725 0.831 3.327 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.821 3.949 -2.921 1.00 0.00 H new ATOM 128 N LYS A 726 -0.700 8.585 -2.290 1.00 0.00 N ATOM 129 CA LYS A 726 -0.368 10.001 -2.316 1.00 0.00 C ATOM 130 C LYS A 726 1.124 10.188 -2.529 1.00 0.00 C ATOM 131 O LYS A 726 1.600 11.292 -2.798 1.00 0.00 O ATOM 132 CB LYS A 726 -0.766 10.634 -1.002 1.00 0.00 C ATOM 133 CG LYS A 726 -2.195 10.316 -0.591 1.00 0.00 C ATOM 134 CD LYS A 726 -2.680 11.204 0.541 1.00 0.00 C ATOM 135 CE LYS A 726 -2.960 12.610 0.045 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.406 13.509 1.143 1.00 0.00 N ATOM 0 H LYS A 726 -0.553 8.149 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.907 10.475 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.086 10.293 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.649 11.715 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.853 10.436 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.259 9.272 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.585 10.781 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -1.929 11.236 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -2.060 13.018 -0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.726 12.576 -0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.186 14.495 0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.432 13.407 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -2.913 13.254 2.022 1.00 0.00 H new ATOM 150 N LEU A 727 1.842 9.091 -2.356 1.00 0.00 N ATOM 151 CA LEU A 727 3.277 9.029 -2.576 1.00 0.00 C ATOM 152 C LEU A 727 3.621 9.612 -3.949 1.00 0.00 C ATOM 153 O LEU A 727 3.034 9.226 -4.963 1.00 0.00 O ATOM 154 CB LEU A 727 3.683 7.554 -2.465 1.00 0.00 C ATOM 155 CG LEU A 727 5.167 7.186 -2.659 1.00 0.00 C ATOM 156 CD1 LEU A 727 5.587 7.254 -4.121 1.00 0.00 C ATOM 157 CD2 LEU A 727 6.056 8.070 -1.795 1.00 0.00 C ATOM 0 H LEU A 727 1.438 8.205 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 727 3.822 9.618 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.379 7.199 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 727 3.103 6.994 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 727 5.291 6.151 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 727 6.640 6.987 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 727 4.985 6.558 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 727 5.437 8.266 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 727 7.100 7.795 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.912 9.114 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.793 7.935 -0.746 1.00 0.00 H new ATOM 169 N HIS A 728 4.573 10.539 -3.975 1.00 0.00 N ATOM 170 CA HIS A 728 4.869 11.293 -5.189 1.00 0.00 C ATOM 171 C HIS A 728 5.929 10.614 -6.054 1.00 0.00 C ATOM 172 O HIS A 728 5.710 10.406 -7.244 1.00 0.00 O ATOM 173 CB HIS A 728 5.295 12.721 -4.844 1.00 0.00 C ATOM 174 CG HIS A 728 4.200 13.524 -4.213 1.00 0.00 C ATOM 175 ND1 HIS A 728 4.359 14.246 -3.050 1.00 0.00 N ATOM 176 CD2 HIS A 728 2.914 13.712 -4.593 1.00 0.00 C ATOM 177 CE1 HIS A 728 3.218 14.835 -2.741 1.00 0.00 C ATOM 178 NE2 HIS A 728 2.329 14.528 -3.663 1.00 0.00 N ATOM 0 H HIS A 728 5.151 10.786 -3.172 1.00 0.00 H new ATOM 0 HA HIS A 728 3.951 11.326 -5.775 1.00 0.00 H new ATOM 0 HB2 HIS A 728 6.148 12.686 -4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 728 5.629 13.223 -5.752 1.00 0.00 H new ATOM 0 HD2 HIS A 728 2.438 13.295 -5.468 1.00 0.00 H new ATOM 0 HE1 HIS A 728 3.044 15.462 -1.879 1.00 0.00 H new ATOM 0 HE2 HIS A 728 1.360 14.847 -3.681 1.00 0.00 H new ATOM 187 N HIS A 729 7.076 10.273 -5.476 1.00 0.00 N ATOM 188 CA HIS A 729 8.136 9.630 -6.251 1.00 0.00 C ATOM 189 C HIS A 729 8.909 8.622 -5.411 1.00 0.00 C ATOM 190 O HIS A 729 8.576 8.394 -4.248 1.00 0.00 O ATOM 191 CB HIS A 729 9.104 10.656 -6.853 1.00 0.00 C ATOM 192 CG HIS A 729 9.994 11.307 -5.846 1.00 0.00 C ATOM 193 ND1 HIS A 729 11.353 11.092 -5.786 1.00 0.00 N ATOM 194 CD2 HIS A 729 9.704 12.171 -4.858 1.00 0.00 C ATOM 195 CE1 HIS A 729 11.861 11.804 -4.798 1.00 0.00 C ATOM 196 NE2 HIS A 729 10.881 12.471 -4.218 1.00 0.00 N ATOM 0 H HIS A 729 7.295 10.427 -4.492 1.00 0.00 H new ATOM 0 HA HIS A 729 7.646 9.100 -7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.721 10.163 -7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.529 11.426 -7.368 1.00 0.00 H new ATOM 0 HD1 HIS A 729 11.883 10.480 -6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 729 8.726 12.558 -4.613 1.00 0.00 H new ATOM 0 HE1 HIS A 729 12.902 11.836 -4.512 1.00 0.00 H new ATOM 205 N ASP A 730 9.937 8.032 -6.022 1.00 0.00 N ATOM 206 CA ASP A 730 10.806 7.063 -5.355 1.00 0.00 C ATOM 207 C ASP A 730 11.268 7.571 -3.989 1.00 0.00 C ATOM 208 O ASP A 730 11.687 8.724 -3.834 1.00 0.00 O ATOM 209 CB ASP A 730 12.020 6.737 -6.237 1.00 0.00 C ATOM 210 CG ASP A 730 12.970 7.910 -6.414 1.00 0.00 C ATOM 211 OD1 ASP A 730 14.126 7.814 -5.954 1.00 0.00 O ATOM 212 OD2 ASP A 730 12.569 8.931 -7.022 1.00 0.00 O ATOM 0 H ASP A 730 10.190 8.213 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 730 10.227 6.154 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.565 5.901 -5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 730 11.671 6.411 -7.217 1.00 0.00 H new ATOM 217 N LEU A 731 11.166 6.704 -3.003 1.00 0.00 N ATOM 218 CA LEU A 731 11.461 7.056 -1.631 1.00 0.00 C ATOM 219 C LEU A 731 12.858 6.599 -1.224 1.00 0.00 C ATOM 220 O LEU A 731 13.116 5.408 -1.110 1.00 0.00 O ATOM 221 CB LEU A 731 10.402 6.434 -0.732 1.00 0.00 C ATOM 222 CG LEU A 731 10.576 6.700 0.746 1.00 0.00 C ATOM 223 CD1 LEU A 731 10.742 8.183 1.022 1.00 0.00 C ATOM 224 CD2 LEU A 731 9.399 6.145 1.512 1.00 0.00 C ATOM 0 H LEU A 731 10.876 5.735 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 731 11.442 8.141 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 731 9.424 6.805 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 731 10.399 5.356 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 731 11.484 6.198 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 731 10.865 8.342 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 731 11.622 8.555 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 731 9.859 8.719 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 731 9.532 6.341 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 731 8.482 6.623 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 731 9.332 5.070 1.347 1.00 0.00 H new ATOM 236 N LYS A 732 13.749 7.559 -1.007 1.00 0.00 N ATOM 237 CA LYS A 732 15.127 7.269 -0.623 1.00 0.00 C ATOM 238 C LYS A 732 15.216 6.781 0.821 1.00 0.00 C ATOM 239 O LYS A 732 14.806 7.485 1.748 1.00 0.00 O ATOM 240 CB LYS A 732 15.994 8.514 -0.789 1.00 0.00 C ATOM 241 CG LYS A 732 16.193 8.925 -2.234 1.00 0.00 C ATOM 242 CD LYS A 732 16.685 7.757 -3.068 1.00 0.00 C ATOM 243 CE LYS A 732 17.256 8.212 -4.395 1.00 0.00 C ATOM 244 NZ LYS A 732 16.296 9.035 -5.175 1.00 0.00 N ATOM 0 H LYS A 732 13.540 8.554 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 732 15.489 6.476 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.537 9.340 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.968 8.332 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 732 15.254 9.298 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 732 16.911 9.743 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 732 17.447 7.210 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.862 7.065 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 732 18.164 8.789 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 732 17.542 7.339 -4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 16.622 9.108 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 15.357 8.588 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 16.236 9.986 -4.759 1.00 0.00 H new ATOM 258 N LEU A 733 15.750 5.581 1.003 1.00 0.00 N ATOM 259 CA LEU A 733 15.927 5.002 2.330 1.00 0.00 C ATOM 260 C LEU A 733 17.284 4.309 2.433 1.00 0.00 C ATOM 261 O LEU A 733 17.905 3.991 1.417 1.00 0.00 O ATOM 262 CB LEU A 733 14.797 4.006 2.614 1.00 0.00 C ATOM 263 CG LEU A 733 13.395 4.617 2.677 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.344 3.532 2.773 1.00 0.00 C ATOM 265 CD2 LEU A 733 13.273 5.575 3.851 1.00 0.00 C ATOM 0 H LEU A 733 16.071 4.984 0.241 1.00 0.00 H new ATOM 0 HA LEU A 733 15.893 5.800 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.808 3.238 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.002 3.507 3.561 1.00 0.00 H new ATOM 0 HG LEU A 733 13.231 5.179 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.354 3.987 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 733 12.408 2.885 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 733 12.512 2.941 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 733 12.268 5.996 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 733 13.463 5.038 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 733 14.001 6.379 3.742 1.00 0.00 H new ATOM 277 N CYS A 734 17.744 4.095 3.658 1.00 0.00 N ATOM 278 CA CYS A 734 19.021 3.437 3.913 1.00 0.00 C ATOM 279 C CYS A 734 18.785 2.054 4.510 1.00 0.00 C ATOM 280 O CYS A 734 17.646 1.593 4.597 1.00 0.00 O ATOM 281 CB CYS A 734 19.875 4.295 4.847 1.00 0.00 C ATOM 282 SG CYS A 734 20.184 5.966 4.226 1.00 0.00 S ATOM 0 H CYS A 734 17.244 4.372 4.503 1.00 0.00 H new ATOM 0 HA CYS A 734 19.557 3.317 2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 734 19.380 4.363 5.816 1.00 0.00 H new ATOM 0 HB3 CYS A 734 20.830 3.796 5.011 1.00 0.00 H new ATOM 0 HG CYS A 734 20.912 6.619 5.082 1.00 0.00 H new ATOM 288 N LEU A 735 19.858 1.390 4.905 1.00 0.00 N ATOM 289 CA LEU A 735 19.778 0.009 5.347 1.00 0.00 C ATOM 290 C LEU A 735 18.965 -0.117 6.624 1.00 0.00 C ATOM 291 O LEU A 735 19.236 0.560 7.615 1.00 0.00 O ATOM 292 CB LEU A 735 21.167 -0.547 5.572 1.00 0.00 C ATOM 293 CG LEU A 735 21.244 -2.037 5.882 1.00 0.00 C ATOM 294 CD1 LEU A 735 20.749 -2.827 4.697 1.00 0.00 C ATOM 295 CD2 LEU A 735 22.664 -2.437 6.235 1.00 0.00 C ATOM 0 H LEU A 735 20.797 1.787 4.928 1.00 0.00 H new ATOM 0 HA LEU A 735 19.278 -0.562 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.765 -0.349 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.628 0.000 6.394 1.00 0.00 H new ATOM 0 HG LEU A 735 20.610 -2.253 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 735 20.805 -3.892 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 735 19.715 -2.555 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 735 21.369 -2.606 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 735 22.698 -3.504 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 735 23.323 -2.217 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 735 22.993 -1.877 7.111 1.00 0.00 H new ATOM 307 N GLY A 736 17.961 -0.973 6.585 1.00 0.00 N ATOM 308 CA GLY A 736 17.154 -1.214 7.766 1.00 0.00 C ATOM 309 C GLY A 736 16.090 -0.153 7.972 1.00 0.00 C ATOM 310 O GLY A 736 15.430 -0.121 9.009 1.00 0.00 O ATOM 0 H GLY A 736 17.687 -1.507 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 736 16.677 -2.190 7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 736 17.801 -1.249 8.643 1.00 0.00 H new ATOM 314 N ASP A 737 15.935 0.725 6.996 1.00 0.00 N ATOM 315 CA ASP A 737 14.891 1.743 7.052 1.00 0.00 C ATOM 316 C ASP A 737 13.527 1.165 6.682 1.00 0.00 C ATOM 317 O ASP A 737 13.431 0.201 5.919 1.00 0.00 O ATOM 318 CB ASP A 737 15.227 2.912 6.122 1.00 0.00 C ATOM 319 CG ASP A 737 15.993 4.017 6.822 1.00 0.00 C ATOM 320 OD1 ASP A 737 15.441 4.638 7.753 1.00 0.00 O ATOM 321 OD2 ASP A 737 17.148 4.287 6.437 1.00 0.00 O ATOM 0 H ASP A 737 16.514 0.757 6.157 1.00 0.00 H new ATOM 0 HA ASP A 737 14.843 2.105 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 737 15.815 2.544 5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.304 3.320 5.711 1.00 0.00 H new ATOM 326 N HIS A 738 12.477 1.746 7.250 1.00 0.00 N ATOM 327 CA HIS A 738 11.111 1.411 6.885 1.00 0.00 C ATOM 328 C HIS A 738 10.475 2.658 6.297 1.00 0.00 C ATOM 329 O HIS A 738 11.015 3.753 6.451 1.00 0.00 O ATOM 330 CB HIS A 738 10.312 0.901 8.099 1.00 0.00 C ATOM 331 CG HIS A 738 9.955 1.947 9.119 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.761 2.259 10.191 1.00 0.00 N ATOM 333 CD2 HIS A 738 8.859 2.742 9.232 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.181 3.197 10.917 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.028 3.509 10.358 1.00 0.00 N ATOM 0 H HIS A 738 12.551 2.460 7.974 1.00 0.00 H new ATOM 0 HA HIS A 738 11.108 0.603 6.154 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.393 0.439 7.740 1.00 0.00 H new ATOM 0 HB3 HIS A 738 10.890 0.119 8.591 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.013 2.766 8.561 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.584 3.636 11.818 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.369 4.206 10.705 1.00 0.00 H new ATOM 344 N SER A 739 9.340 2.528 5.644 1.00 0.00 N ATOM 345 CA SER A 739 8.802 3.676 4.932 1.00 0.00 C ATOM 346 C SER A 739 7.383 4.001 5.355 1.00 0.00 C ATOM 347 O SER A 739 6.699 3.190 5.982 1.00 0.00 O ATOM 348 CB SER A 739 8.856 3.457 3.421 1.00 0.00 C ATOM 349 OG SER A 739 7.765 2.691 2.957 1.00 0.00 O ATOM 0 H SER A 739 8.786 1.674 5.588 1.00 0.00 H new ATOM 0 HA SER A 739 9.431 4.527 5.193 1.00 0.00 H new ATOM 0 HB2 SER A 739 8.862 4.422 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 739 9.788 2.955 3.161 1.00 0.00 H new ATOM 0 HG SER A 739 7.997 1.739 2.987 1.00 0.00 H new ATOM 355 N SER A 740 6.963 5.208 5.016 1.00 0.00 N ATOM 356 CA SER A 740 5.602 5.644 5.227 1.00 0.00 C ATOM 357 C SER A 740 5.068 6.251 3.937 1.00 0.00 C ATOM 358 O SER A 740 5.356 7.402 3.604 1.00 0.00 O ATOM 359 CB SER A 740 5.538 6.662 6.368 1.00 0.00 C ATOM 360 OG SER A 740 6.065 6.111 7.563 1.00 0.00 O ATOM 0 H SER A 740 7.562 5.912 4.585 1.00 0.00 H new ATOM 0 HA SER A 740 4.986 4.789 5.505 1.00 0.00 H new ATOM 0 HB2 SER A 740 6.099 7.556 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 740 4.505 6.971 6.529 1.00 0.00 H new ATOM 0 HG SER A 740 6.017 6.778 8.280 1.00 0.00 H new ATOM 366 N VAL A 741 4.300 5.461 3.214 1.00 0.00 N ATOM 367 CA VAL A 741 3.706 5.894 1.968 1.00 0.00 C ATOM 368 C VAL A 741 2.258 6.272 2.207 1.00 0.00 C ATOM 369 O VAL A 741 1.428 5.427 2.534 1.00 0.00 O ATOM 370 CB VAL A 741 3.822 4.816 0.859 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.938 3.426 1.463 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.641 4.873 -0.104 1.00 0.00 C ATOM 0 H VAL A 741 4.071 4.502 3.474 1.00 0.00 H new ATOM 0 HA VAL A 741 4.256 6.765 1.612 1.00 0.00 H new ATOM 0 HB VAL A 741 4.730 5.030 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 741 4.018 2.688 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.826 3.376 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 741 3.054 3.216 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 741 2.756 4.103 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.715 4.703 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 741 2.606 5.853 -0.579 1.00 0.00 H new ATOM 382 N PRO A 742 1.939 7.553 2.072 1.00 0.00 N ATOM 383 CA PRO A 742 0.610 8.049 2.347 1.00 0.00 C ATOM 384 C PRO A 742 -0.346 7.683 1.232 1.00 0.00 C ATOM 385 O PRO A 742 -0.026 7.856 0.063 1.00 0.00 O ATOM 386 CB PRO A 742 0.795 9.567 2.462 1.00 0.00 C ATOM 387 CG PRO A 742 2.259 9.819 2.302 1.00 0.00 C ATOM 388 CD PRO A 742 2.823 8.620 1.610 1.00 0.00 C ATOM 0 HA PRO A 742 0.177 7.620 3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 742 0.224 10.089 1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.440 9.931 3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.436 10.723 1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.735 9.967 3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.800 8.727 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.861 8.439 1.890 1.00 0.00 H new ATOM 396 N VAL A 743 -1.487 7.111 1.585 1.00 0.00 N ATOM 397 CA VAL A 743 -2.486 6.752 0.591 1.00 0.00 C ATOM 398 C VAL A 743 -3.860 7.302 0.932 1.00 0.00 C ATOM 399 O VAL A 743 -4.422 6.998 1.976 1.00 0.00 O ATOM 400 CB VAL A 743 -2.623 5.245 0.433 1.00 0.00 C ATOM 401 CG1 VAL A 743 -3.506 4.956 -0.752 1.00 0.00 C ATOM 402 CG2 VAL A 743 -1.265 4.587 0.333 1.00 0.00 C ATOM 0 H VAL A 743 -1.743 6.887 2.546 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.130 7.194 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 743 -3.096 4.816 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -3.610 3.878 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -4.488 5.400 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.059 5.381 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -1.390 3.510 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -0.732 4.983 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -0.693 4.794 1.238 1.00 0.00 H new ATOM 412 N ALA A 744 -4.405 8.099 0.039 1.00 0.00 N ATOM 413 CA ALA A 744 -5.788 8.498 0.141 1.00 0.00 C ATOM 414 C ALA A 744 -6.640 7.409 -0.461 1.00 0.00 C ATOM 415 O ALA A 744 -6.781 7.280 -1.677 1.00 0.00 O ATOM 416 CB ALA A 744 -6.031 9.841 -0.511 1.00 0.00 C ATOM 0 H ALA A 744 -3.910 8.483 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.059 8.627 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.083 10.108 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.418 10.599 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.767 9.786 -1.567 1.00 0.00 H new ATOM 422 N LEU A 745 -7.169 6.610 0.427 1.00 0.00 N ATOM 423 CA LEU A 745 -7.838 5.383 0.082 1.00 0.00 C ATOM 424 C LEU A 745 -9.234 5.662 -0.448 1.00 0.00 C ATOM 425 O LEU A 745 -9.759 6.763 -0.293 1.00 0.00 O ATOM 426 CB LEU A 745 -7.876 4.521 1.335 1.00 0.00 C ATOM 427 CG LEU A 745 -6.560 4.539 2.118 1.00 0.00 C ATOM 428 CD1 LEU A 745 -6.797 4.253 3.576 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.575 3.544 1.550 1.00 0.00 C ATOM 0 H LEU A 745 -7.147 6.797 1.429 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.305 4.861 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.682 4.867 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.111 3.494 1.055 1.00 0.00 H new ATOM 0 HG LEU A 745 -6.136 5.539 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -5.847 4.272 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.462 5.010 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.255 3.270 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.650 3.579 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -5.999 2.541 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.365 3.793 0.510 1.00 0.00 H new ATOM 441 N LYS A 746 -9.829 4.674 -1.078 1.00 0.00 N ATOM 442 CA LYS A 746 -11.128 4.844 -1.683 1.00 0.00 C ATOM 443 C LYS A 746 -12.110 3.822 -1.130 1.00 0.00 C ATOM 444 O LYS A 746 -11.716 2.796 -0.583 1.00 0.00 O ATOM 445 CB LYS A 746 -11.026 4.724 -3.189 1.00 0.00 C ATOM 446 CG LYS A 746 -12.237 5.254 -3.950 1.00 0.00 C ATOM 447 CD LYS A 746 -12.489 6.733 -3.682 1.00 0.00 C ATOM 448 CE LYS A 746 -11.346 7.606 -4.178 1.00 0.00 C ATOM 449 NZ LYS A 746 -11.579 9.048 -3.891 1.00 0.00 N ATOM 0 H LYS A 746 -9.431 3.741 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.497 5.840 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.139 5.261 -3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -10.881 3.675 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -12.086 5.102 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.120 4.681 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -13.415 7.037 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -12.626 6.889 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -10.416 7.288 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -11.223 7.466 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -10.777 9.607 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -12.452 9.359 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -11.671 9.187 -2.864 1.00 0.00 H new ATOM 463 N GLY A 747 -13.380 4.103 -1.301 1.00 0.00 N ATOM 464 CA GLY A 747 -14.415 3.263 -0.730 1.00 0.00 C ATOM 465 C GLY A 747 -14.814 3.743 0.645 1.00 0.00 C ATOM 466 O GLY A 747 -13.982 3.823 1.542 1.00 0.00 O ATOM 0 H GLY A 747 -13.725 4.905 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.287 3.261 -1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -14.060 2.234 -0.670 1.00 0.00 H new ATOM 470 N GLN A 748 -16.082 4.058 0.821 1.00 0.00 N ATOM 471 CA GLN A 748 -16.529 4.684 2.058 1.00 0.00 C ATOM 472 C GLN A 748 -17.065 3.663 3.052 1.00 0.00 C ATOM 473 O GLN A 748 -18.064 2.981 2.796 1.00 0.00 O ATOM 474 CB GLN A 748 -17.598 5.747 1.801 1.00 0.00 C ATOM 475 CG GLN A 748 -17.110 7.025 1.121 1.00 0.00 C ATOM 476 CD GLN A 748 -16.736 6.846 -0.339 1.00 0.00 C ATOM 477 OE1 GLN A 748 -17.592 6.909 -1.219 1.00 0.00 O ATOM 478 NE2 GLN A 748 -15.453 6.679 -0.613 1.00 0.00 N ATOM 0 H GLN A 748 -16.817 3.895 0.133 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.650 5.163 2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.382 5.306 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -18.054 6.015 2.754 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.889 7.783 1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -16.244 7.404 1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -14.772 6.631 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -15.145 6.598 -1.582 1.00 0.00 H new ATOM 487 N GLY A 749 -16.401 3.583 4.195 1.00 0.00 N ATOM 488 CA GLY A 749 -16.796 2.664 5.240 1.00 0.00 C ATOM 489 C GLY A 749 -15.733 1.640 5.502 1.00 0.00 C ATOM 490 O GLY A 749 -14.677 1.698 4.899 1.00 0.00 O ATOM 0 H GLY A 749 -15.582 4.149 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.002 3.219 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.722 2.164 4.956 1.00 0.00 H new ATOM 494 N PRO A 750 -16.001 0.679 6.385 1.00 0.00 N ATOM 495 CA PRO A 750 -15.035 -0.351 6.772 1.00 0.00 C ATOM 496 C PRO A 750 -14.732 -1.344 5.650 1.00 0.00 C ATOM 497 O PRO A 750 -15.443 -2.336 5.461 1.00 0.00 O ATOM 498 CB PRO A 750 -15.755 -1.031 7.929 1.00 0.00 C ATOM 499 CG PRO A 750 -17.177 -0.901 7.565 1.00 0.00 C ATOM 500 CD PRO A 750 -17.283 0.496 7.085 1.00 0.00 C ATOM 0 HA PRO A 750 -14.057 0.060 7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -15.459 -2.075 8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.537 -0.545 8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -17.460 -1.614 6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.829 -1.083 8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.135 0.635 6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -17.403 1.202 7.907 1.00 0.00 H new ATOM 508 N PHE A 751 -13.668 -1.074 4.918 1.00 0.00 N ATOM 509 CA PHE A 751 -13.251 -1.938 3.826 1.00 0.00 C ATOM 510 C PHE A 751 -11.931 -2.630 4.148 1.00 0.00 C ATOM 511 O PHE A 751 -11.067 -2.057 4.804 1.00 0.00 O ATOM 512 CB PHE A 751 -13.130 -1.129 2.534 1.00 0.00 C ATOM 513 CG PHE A 751 -14.458 -0.763 1.939 1.00 0.00 C ATOM 514 CD1 PHE A 751 -14.990 0.499 2.113 1.00 0.00 C ATOM 515 CD2 PHE A 751 -15.177 -1.692 1.213 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.216 0.828 1.571 1.00 0.00 C ATOM 517 CE2 PHE A 751 -16.404 -1.368 0.667 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.924 -0.106 0.848 1.00 0.00 C ATOM 0 H PHE A 751 -13.072 -0.258 5.060 1.00 0.00 H new ATOM 0 HA PHE A 751 -14.009 -2.709 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.566 -0.218 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.559 -1.704 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.441 1.237 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.775 -2.684 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.621 1.819 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.954 -2.103 0.099 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.884 0.150 0.424 1.00 0.00 H new ATOM 528 N THR A 752 -11.782 -3.866 3.696 1.00 0.00 N ATOM 529 CA THR A 752 -10.557 -4.614 3.934 1.00 0.00 C ATOM 530 C THR A 752 -9.593 -4.406 2.783 1.00 0.00 C ATOM 531 O THR A 752 -9.738 -4.995 1.716 1.00 0.00 O ATOM 532 CB THR A 752 -10.835 -6.113 4.127 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.719 -6.307 5.239 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.546 -6.884 4.355 1.00 0.00 C ATOM 0 H THR A 752 -12.491 -4.371 3.164 1.00 0.00 H new ATOM 0 HA THR A 752 -10.110 -4.240 4.855 1.00 0.00 H new ATOM 0 HB THR A 752 -11.304 -6.491 3.218 1.00 0.00 H new ATOM 0 HG1 THR A 752 -11.706 -7.250 5.507 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.773 -7.942 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.890 -6.760 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.048 -6.505 5.247 1.00 0.00 H new ATOM 542 N LEU A 753 -8.610 -3.569 3.024 1.00 0.00 N ATOM 543 CA LEU A 753 -7.714 -3.113 1.988 1.00 0.00 C ATOM 544 C LEU A 753 -6.427 -3.927 1.972 1.00 0.00 C ATOM 545 O LEU A 753 -5.699 -3.974 2.956 1.00 0.00 O ATOM 546 CB LEU A 753 -7.404 -1.639 2.204 1.00 0.00 C ATOM 547 CG LEU A 753 -6.360 -1.060 1.253 1.00 0.00 C ATOM 548 CD1 LEU A 753 -6.779 -1.241 -0.190 1.00 0.00 C ATOM 549 CD2 LEU A 753 -6.122 0.397 1.563 1.00 0.00 C ATOM 0 H LEU A 753 -8.409 -3.184 3.947 1.00 0.00 H new ATOM 0 HA LEU A 753 -8.201 -3.248 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.327 -1.069 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -7.059 -1.501 3.229 1.00 0.00 H new ATOM 0 HG LEU A 753 -5.426 -1.603 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -6.017 -0.820 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -6.895 -2.303 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -7.727 -0.731 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -5.375 0.798 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -7.054 0.950 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -5.764 0.497 2.588 1.00 0.00 H new ATOM 561 N THR A 754 -6.148 -4.547 0.845 1.00 0.00 N ATOM 562 CA THR A 754 -4.982 -5.398 0.706 1.00 0.00 C ATOM 563 C THR A 754 -3.939 -4.757 -0.202 1.00 0.00 C ATOM 564 O THR A 754 -4.279 -4.228 -1.264 1.00 0.00 O ATOM 565 CB THR A 754 -5.371 -6.749 0.106 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.694 -7.116 0.522 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.374 -7.793 0.551 1.00 0.00 C ATOM 0 H THR A 754 -6.719 -4.477 0.003 1.00 0.00 H new ATOM 0 HA THR A 754 -4.564 -5.536 1.703 1.00 0.00 H new ATOM 0 HB THR A 754 -5.362 -6.679 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 754 -6.638 -7.767 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.645 -8.760 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.377 -7.514 0.209 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.379 -7.860 1.639 1.00 0.00 H new ATOM 575 N TYR A 755 -2.671 -4.812 0.199 1.00 0.00 N ATOM 576 CA TYR A 755 -1.606 -4.263 -0.624 1.00 0.00 C ATOM 577 C TYR A 755 -0.332 -5.115 -0.552 1.00 0.00 C ATOM 578 O TYR A 755 -0.080 -5.797 0.444 1.00 0.00 O ATOM 579 CB TYR A 755 -1.325 -2.807 -0.226 1.00 0.00 C ATOM 580 CG TYR A 755 -0.998 -2.595 1.244 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.269 -2.861 1.745 1.00 0.00 C ATOM 582 CD2 TYR A 755 -1.955 -2.100 2.124 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.571 -2.644 3.075 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.659 -1.885 3.454 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.396 -2.158 3.925 1.00 0.00 C ATOM 586 OH TYR A 755 -0.093 -1.938 5.250 1.00 0.00 O ATOM 0 H TYR A 755 -2.362 -5.227 1.078 1.00 0.00 H new ATOM 0 HA TYR A 755 -1.940 -4.281 -1.661 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.493 -2.436 -0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.195 -2.202 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 755 1.032 -3.244 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -2.947 -1.880 1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.563 -2.855 3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.416 -1.504 4.123 1.00 0.00 H new ATOM 0 HH TYR A 755 0.115 -2.792 5.684 1.00 0.00 H new ATOM 596 N ASP A 756 0.456 -5.067 -1.627 1.00 0.00 N ATOM 597 CA ASP A 756 1.701 -5.830 -1.737 1.00 0.00 C ATOM 598 C ASP A 756 2.891 -4.898 -1.872 1.00 0.00 C ATOM 599 O ASP A 756 2.987 -4.145 -2.841 1.00 0.00 O ATOM 600 CB ASP A 756 1.691 -6.726 -2.984 1.00 0.00 C ATOM 601 CG ASP A 756 1.034 -8.073 -2.788 1.00 0.00 C ATOM 602 OD1 ASP A 756 1.058 -8.597 -1.664 1.00 0.00 O ATOM 603 OD2 ASP A 756 0.524 -8.635 -3.784 1.00 0.00 O ATOM 0 H ASP A 756 0.249 -4.497 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 756 1.780 -6.434 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 756 1.177 -6.200 -3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.719 -6.882 -3.311 1.00 0.00 H new ATOM 608 N ILE A 757 3.805 -4.954 -0.924 1.00 0.00 N ATOM 609 CA ILE A 757 5.088 -4.301 -1.082 1.00 0.00 C ATOM 610 C ILE A 757 6.026 -5.277 -1.778 1.00 0.00 C ATOM 611 O ILE A 757 6.611 -6.153 -1.143 1.00 0.00 O ATOM 612 CB ILE A 757 5.703 -3.841 0.266 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.949 -2.654 0.835 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.147 -3.452 0.076 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.720 -3.012 1.637 1.00 0.00 C ATOM 0 H ILE A 757 3.683 -5.444 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 757 4.944 -3.397 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 757 5.631 -4.677 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.626 -2.081 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.653 -2.001 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.566 -3.131 1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.708 -4.308 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.212 -2.635 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.247 -2.101 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 757 3.019 -3.556 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 757 4.007 -3.637 2.483 1.00 0.00 H new ATOM 627 N ILE A 758 6.147 -5.146 -3.085 1.00 0.00 N ATOM 628 CA ILE A 758 6.870 -6.127 -3.865 1.00 0.00 C ATOM 629 C ILE A 758 8.313 -5.727 -4.080 1.00 0.00 C ATOM 630 O ILE A 758 8.649 -4.541 -4.131 1.00 0.00 O ATOM 631 CB ILE A 758 6.190 -6.375 -5.225 1.00 0.00 C ATOM 632 CG1 ILE A 758 6.220 -5.139 -6.105 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.756 -6.803 -5.016 1.00 0.00 C ATOM 634 CD1 ILE A 758 7.331 -5.144 -7.135 1.00 0.00 C ATOM 0 H ILE A 758 5.756 -4.374 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 758 6.855 -7.053 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 758 6.747 -7.165 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 758 5.263 -5.047 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.328 -4.258 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.283 -6.976 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.732 -7.722 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.216 -6.020 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 758 7.285 -4.228 -7.724 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.295 -5.203 -6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 758 7.213 -6.005 -7.793 1.00 0.00 H new ATOM 646 N GLU A 759 9.162 -6.729 -4.198 1.00 0.00 N ATOM 647 CA GLU A 759 10.550 -6.506 -4.511 1.00 0.00 C ATOM 648 C GLU A 759 10.749 -6.537 -6.007 1.00 0.00 C ATOM 649 O GLU A 759 10.557 -7.572 -6.643 1.00 0.00 O ATOM 650 CB GLU A 759 11.439 -7.573 -3.893 1.00 0.00 C ATOM 651 CG GLU A 759 11.421 -7.611 -2.386 1.00 0.00 C ATOM 652 CD GLU A 759 12.756 -8.061 -1.824 1.00 0.00 C ATOM 653 OE1 GLU A 759 13.244 -7.444 -0.852 1.00 0.00 O ATOM 654 OE2 GLU A 759 13.330 -9.031 -2.367 1.00 0.00 O ATOM 0 H GLU A 759 8.908 -7.710 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 759 10.824 -5.533 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 759 11.131 -8.548 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 759 12.464 -7.411 -4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 759 11.177 -6.621 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 759 10.636 -8.288 -2.048 1.00 0.00 H new ATOM 661 N THR A 760 11.135 -5.414 -6.566 1.00 0.00 N ATOM 662 CA THR A 760 11.503 -5.374 -7.963 1.00 0.00 C ATOM 663 C THR A 760 13.013 -5.531 -8.059 1.00 0.00 C ATOM 664 O THR A 760 13.599 -5.546 -9.141 1.00 0.00 O ATOM 665 CB THR A 760 11.022 -4.077 -8.639 1.00 0.00 C ATOM 666 OG1 THR A 760 11.566 -3.954 -9.960 1.00 0.00 O ATOM 667 CG2 THR A 760 11.384 -2.868 -7.805 1.00 0.00 C ATOM 0 H THR A 760 11.202 -4.520 -6.079 1.00 0.00 H new ATOM 0 HA THR A 760 11.015 -6.190 -8.496 1.00 0.00 H new ATOM 0 HB THR A 760 9.936 -4.127 -8.720 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.347 -4.540 -10.048 1.00 0.00 H new ATOM 0 HG21 THR A 760 11.034 -1.964 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.913 -2.948 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.466 -2.820 -7.685 1.00 0.00 H new ATOM 739 N ARG A 765 8.476 -10.047 -1.968 1.00 0.00 N ATOM 740 CA ARG A 765 7.225 -9.319 -1.869 1.00 0.00 C ATOM 741 C ARG A 765 6.544 -9.586 -0.529 1.00 0.00 C ATOM 742 O ARG A 765 6.566 -10.713 -0.028 1.00 0.00 O ATOM 743 CB ARG A 765 6.302 -9.738 -3.017 1.00 0.00 C ATOM 744 CG ARG A 765 4.848 -9.413 -2.759 1.00 0.00 C ATOM 745 CD ARG A 765 3.955 -9.776 -3.937 1.00 0.00 C ATOM 746 NE ARG A 765 3.824 -11.221 -4.101 1.00 0.00 N ATOM 747 CZ ARG A 765 2.656 -11.863 -4.188 1.00 0.00 C ATOM 748 NH1 ARG A 765 1.508 -11.194 -4.135 1.00 0.00 N ATOM 749 NH2 ARG A 765 2.639 -13.182 -4.320 1.00 0.00 N ATOM 0 HA ARG A 765 7.434 -8.251 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.622 -9.241 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 765 6.404 -10.810 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 765 4.510 -9.949 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 765 4.749 -8.349 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 765 2.968 -9.337 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 765 4.365 -9.344 -4.849 1.00 0.00 H new ATOM 0 HE ARG A 765 4.679 -11.775 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 765 1.513 -10.180 -4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 765 0.622 -11.695 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 765 3.516 -13.702 -4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 765 1.749 -13.676 -4.387 1.00 0.00 H new ATOM 763 N LYS A 766 5.943 -8.554 0.041 1.00 0.00 N ATOM 764 CA LYS A 766 5.262 -8.679 1.311 1.00 0.00 C ATOM 765 C LYS A 766 3.816 -8.232 1.184 1.00 0.00 C ATOM 766 O LYS A 766 3.529 -7.188 0.618 1.00 0.00 O ATOM 767 CB LYS A 766 5.977 -7.864 2.388 1.00 0.00 C ATOM 768 CG LYS A 766 5.506 -8.208 3.794 1.00 0.00 C ATOM 769 CD LYS A 766 4.373 -7.308 4.253 1.00 0.00 C ATOM 770 CE LYS A 766 3.695 -7.853 5.502 1.00 0.00 C ATOM 771 NZ LYS A 766 4.661 -8.164 6.589 1.00 0.00 N ATOM 0 H LYS A 766 5.915 -7.617 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 766 5.277 -9.728 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.051 -8.037 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.813 -6.802 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.177 -9.247 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.342 -8.120 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.760 -6.309 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.639 -7.210 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 766 2.969 -7.125 5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 766 3.140 -8.755 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 4.141 -8.385 7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 5.241 -8.983 6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 5.277 -7.342 6.751 1.00 0.00 H new ATOM 785 N THR A 767 2.923 -9.019 1.737 1.00 0.00 N ATOM 786 CA THR A 767 1.498 -8.742 1.644 1.00 0.00 C ATOM 787 C THR A 767 0.959 -8.265 2.988 1.00 0.00 C ATOM 788 O THR A 767 1.219 -8.882 4.022 1.00 0.00 O ATOM 789 CB THR A 767 0.711 -9.995 1.211 1.00 0.00 C ATOM 790 OG1 THR A 767 1.242 -10.516 -0.016 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.764 -9.671 1.032 1.00 0.00 C ATOM 0 H THR A 767 3.155 -9.863 2.261 1.00 0.00 H new ATOM 0 HA THR A 767 1.367 -7.962 0.893 1.00 0.00 H new ATOM 0 HB THR A 767 0.812 -10.746 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.899 -9.992 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.299 -10.570 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.174 -9.307 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.878 -8.903 0.267 1.00 0.00 H new ATOM 799 N PHE A 768 0.213 -7.173 2.975 1.00 0.00 N ATOM 800 CA PHE A 768 -0.366 -6.638 4.188 1.00 0.00 C ATOM 801 C PHE A 768 -1.802 -6.218 3.914 1.00 0.00 C ATOM 802 O PHE A 768 -2.094 -5.610 2.882 1.00 0.00 O ATOM 803 CB PHE A 768 0.449 -5.445 4.679 1.00 0.00 C ATOM 804 CG PHE A 768 0.469 -5.293 6.173 1.00 0.00 C ATOM 805 CD1 PHE A 768 -0.699 -5.406 6.901 1.00 0.00 C ATOM 806 CD2 PHE A 768 1.651 -5.032 6.844 1.00 0.00 C ATOM 807 CE1 PHE A 768 -0.695 -5.264 8.275 1.00 0.00 C ATOM 808 CE2 PHE A 768 1.665 -4.889 8.218 1.00 0.00 C ATOM 809 CZ PHE A 768 0.490 -5.005 8.935 1.00 0.00 C ATOM 0 H PHE A 768 -0.004 -6.641 2.133 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.355 -7.404 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.473 -5.545 4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 768 0.044 -4.535 4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 768 -1.628 -5.608 6.389 1.00 0.00 H new ATOM 0 HD2 PHE A 768 2.572 -4.939 6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 768 -1.616 -5.355 8.832 1.00 0.00 H new ATOM 0 HE2 PHE A 768 2.594 -4.687 8.731 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.498 -4.893 10.009 1.00 0.00 H new ATOM 819 N GLU A 769 -2.693 -6.560 4.824 1.00 0.00 N ATOM 820 CA GLU A 769 -4.102 -6.299 4.636 1.00 0.00 C ATOM 821 C GLU A 769 -4.712 -5.596 5.846 1.00 0.00 C ATOM 822 O GLU A 769 -4.630 -6.084 6.974 1.00 0.00 O ATOM 823 CB GLU A 769 -4.802 -7.619 4.369 1.00 0.00 C ATOM 824 CG GLU A 769 -6.289 -7.490 4.140 1.00 0.00 C ATOM 825 CD GLU A 769 -6.889 -8.782 3.630 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.949 -9.760 4.401 1.00 0.00 O ATOM 827 OE2 GLU A 769 -7.295 -8.831 2.452 1.00 0.00 O ATOM 0 H GLU A 769 -2.462 -7.021 5.704 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.232 -5.628 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.350 -8.088 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.631 -8.286 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.778 -7.204 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.479 -6.692 3.422 1.00 0.00 H new ATOM 834 N ILE A 770 -5.319 -4.446 5.593 1.00 0.00 N ATOM 835 CA ILE A 770 -5.931 -3.644 6.621 1.00 0.00 C ATOM 836 C ILE A 770 -7.434 -3.829 6.588 1.00 0.00 C ATOM 837 O ILE A 770 -8.086 -3.383 5.657 1.00 0.00 O ATOM 838 CB ILE A 770 -5.645 -2.147 6.396 1.00 0.00 C ATOM 839 CG1 ILE A 770 -4.240 -1.925 5.840 1.00 0.00 C ATOM 840 CG2 ILE A 770 -5.863 -1.368 7.673 1.00 0.00 C ATOM 841 CD1 ILE A 770 -3.137 -2.548 6.658 1.00 0.00 C ATOM 0 H ILE A 770 -5.397 -4.047 4.658 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.517 -3.962 7.578 1.00 0.00 H new ATOM 0 HB ILE A 770 -6.348 -1.777 5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -4.196 -2.327 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -4.058 -0.853 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.656 -0.313 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -6.896 -1.485 7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -5.194 -1.743 8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -2.175 -2.340 6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.149 -2.129 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.289 -3.626 6.712 1.00 0.00 H new ATOM 853 N LYS A 771 -7.998 -4.471 7.584 1.00 0.00 N ATOM 854 CA LYS A 771 -9.424 -4.659 7.606 1.00 0.00 C ATOM 855 C LYS A 771 -10.102 -3.405 8.102 1.00 0.00 C ATOM 856 O LYS A 771 -9.509 -2.599 8.823 1.00 0.00 O ATOM 857 CB LYS A 771 -9.842 -5.829 8.487 1.00 0.00 C ATOM 858 CG LYS A 771 -9.351 -7.193 8.023 1.00 0.00 C ATOM 859 CD LYS A 771 -7.843 -7.335 8.106 1.00 0.00 C ATOM 860 CE LYS A 771 -7.377 -8.588 7.395 1.00 0.00 C ATOM 861 NZ LYS A 771 -7.831 -9.829 8.077 1.00 0.00 N ATOM 0 H LYS A 771 -7.496 -4.866 8.379 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.731 -4.881 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -9.475 -5.652 9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.930 -5.851 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -9.818 -7.968 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -9.671 -7.358 6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -7.367 -6.461 7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -7.534 -7.369 9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -7.751 -8.582 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -6.289 -8.586 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -7.487 -10.659 7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -7.454 -9.851 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -8.870 -9.847 8.110 1.00 0.00 H new ATOM 875 N GLU A 772 -11.356 -3.296 7.729 1.00 0.00 N ATOM 876 CA GLU A 772 -12.228 -2.192 8.111 1.00 0.00 C ATOM 877 C GLU A 772 -11.541 -0.822 8.055 1.00 0.00 C ATOM 878 O GLU A 772 -11.613 -0.059 9.022 1.00 0.00 O ATOM 879 CB GLU A 772 -12.787 -2.425 9.519 1.00 0.00 C ATOM 880 CG GLU A 772 -12.582 -3.840 10.039 1.00 0.00 C ATOM 881 CD GLU A 772 -13.368 -4.120 11.297 1.00 0.00 C ATOM 882 OE1 GLU A 772 -14.462 -4.711 11.201 1.00 0.00 O ATOM 883 OE2 GLU A 772 -12.896 -3.749 12.393 1.00 0.00 O ATOM 0 H GLU A 772 -11.817 -3.987 7.136 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.034 -2.173 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -12.315 -1.724 10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.854 -2.200 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -12.875 -4.552 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -11.522 -4.000 10.235 1.00 0.00 H new ATOM 890 N ILE A 773 -10.880 -0.490 6.944 1.00 0.00 N ATOM 891 CA ILE A 773 -10.387 0.862 6.783 1.00 0.00 C ATOM 892 C ILE A 773 -11.588 1.742 6.450 1.00 0.00 C ATOM 893 O ILE A 773 -12.226 1.581 5.420 1.00 0.00 O ATOM 894 CB ILE A 773 -9.226 1.001 5.727 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.688 1.551 4.376 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.507 -0.322 5.497 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.757 3.072 4.311 1.00 0.00 C ATOM 0 H ILE A 773 -10.682 -1.123 6.169 1.00 0.00 H new ATOM 0 HA ILE A 773 -9.919 1.184 7.714 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.540 1.724 6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -9.009 1.196 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.673 1.144 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.714 -0.182 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.075 -0.669 6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.217 -1.063 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.093 3.379 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.459 3.437 5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.769 3.490 4.505 1.00 0.00 H new ATOM 909 N LYS A 774 -11.940 2.604 7.381 1.00 0.00 N ATOM 910 CA LYS A 774 -13.081 3.497 7.237 1.00 0.00 C ATOM 911 C LYS A 774 -12.566 4.912 7.004 1.00 0.00 C ATOM 912 O LYS A 774 -13.249 5.894 7.281 1.00 0.00 O ATOM 913 CB LYS A 774 -13.899 3.457 8.529 1.00 0.00 C ATOM 914 CG LYS A 774 -14.197 2.044 9.007 1.00 0.00 C ATOM 915 CD LYS A 774 -14.491 2.010 10.495 1.00 0.00 C ATOM 916 CE LYS A 774 -14.669 0.585 10.991 1.00 0.00 C ATOM 917 NZ LYS A 774 -14.705 0.516 12.474 1.00 0.00 N ATOM 0 H LYS A 774 -11.443 2.709 8.265 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.704 3.190 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.358 3.991 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.839 3.986 8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -15.050 1.645 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.347 1.398 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -13.677 2.488 11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -15.394 2.585 10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.593 0.172 10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -13.853 -0.034 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -14.828 -0.473 12.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -13.813 0.886 12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -15.499 1.086 12.829 1.00 0.00 H new ATOM 931 N THR A 775 -11.347 4.997 6.487 1.00 0.00 N ATOM 932 CA THR A 775 -10.596 6.245 6.486 1.00 0.00 C ATOM 933 C THR A 775 -10.733 7.038 5.178 1.00 0.00 C ATOM 934 O THR A 775 -11.407 8.064 5.152 1.00 0.00 O ATOM 935 CB THR A 775 -9.110 5.951 6.741 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.985 4.756 7.520 1.00 0.00 O ATOM 937 CG2 THR A 775 -8.448 7.102 7.475 1.00 0.00 C ATOM 0 H THR A 775 -10.855 4.211 6.061 1.00 0.00 H new ATOM 0 HA THR A 775 -11.016 6.862 7.280 1.00 0.00 H new ATOM 0 HB THR A 775 -8.615 5.822 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 775 -8.037 4.568 7.681 1.00 0.00 H new ATOM 0 HG21 THR A 775 -7.397 6.869 7.644 1.00 0.00 H new ATOM 0 HG22 THR A 775 -8.527 8.009 6.876 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.944 7.255 8.434 1.00 0.00 H new ATOM 945 N ASN A 776 -10.058 6.554 4.120 1.00 0.00 N ATOM 946 CA ASN A 776 -10.017 7.196 2.786 1.00 0.00 C ATOM 947 C ASN A 776 -8.837 8.152 2.688 1.00 0.00 C ATOM 948 O ASN A 776 -8.651 8.834 1.684 1.00 0.00 O ATOM 949 CB ASN A 776 -11.325 7.909 2.407 1.00 0.00 C ATOM 950 CG ASN A 776 -12.350 6.978 1.784 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.212 7.406 1.018 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.251 5.696 2.081 1.00 0.00 N ATOM 0 H ASN A 776 -9.515 5.691 4.165 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.891 6.390 2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.753 8.368 3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.103 8.716 1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.902 5.026 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.524 5.375 2.720 1.00 0.00 H new ATOM 959 N GLU A 777 -8.036 8.173 3.741 1.00 0.00 N ATOM 960 CA GLU A 777 -6.808 8.932 3.779 1.00 0.00 C ATOM 961 C GLU A 777 -5.944 8.422 4.914 1.00 0.00 C ATOM 962 O GLU A 777 -6.181 8.734 6.080 1.00 0.00 O ATOM 963 CB GLU A 777 -7.109 10.404 3.939 1.00 0.00 C ATOM 964 CG GLU A 777 -5.867 11.262 4.005 1.00 0.00 C ATOM 965 CD GLU A 777 -6.092 12.673 3.502 1.00 0.00 C ATOM 966 OE1 GLU A 777 -5.790 12.942 2.318 1.00 0.00 O ATOM 967 OE2 GLU A 777 -6.557 13.525 4.282 1.00 0.00 O ATOM 0 H GLU A 777 -8.227 7.656 4.600 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.266 8.805 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.727 10.735 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -7.694 10.552 4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -5.515 11.302 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -5.078 10.794 3.416 1.00 0.00 H new ATOM 974 N TYR A 778 -4.957 7.626 4.566 1.00 0.00 N ATOM 975 CA TYR A 778 -4.162 6.923 5.560 1.00 0.00 C ATOM 976 C TYR A 778 -2.775 6.623 5.021 1.00 0.00 C ATOM 977 O TYR A 778 -2.633 6.095 3.921 1.00 0.00 O ATOM 978 CB TYR A 778 -4.866 5.628 5.964 1.00 0.00 C ATOM 979 CG TYR A 778 -4.078 4.779 6.943 1.00 0.00 C ATOM 980 CD1 TYR A 778 -4.066 5.074 8.299 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.336 3.684 6.504 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.338 4.306 9.190 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.608 2.911 7.390 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.611 3.227 8.732 1.00 0.00 C ATOM 985 OH TYR A 778 -1.884 2.463 9.618 1.00 0.00 O ATOM 0 H TYR A 778 -4.682 7.446 3.600 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.056 7.560 6.438 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.831 5.874 6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -5.066 5.040 5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.634 5.917 8.665 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.329 3.435 5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.339 4.551 10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -2.040 2.065 7.033 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.431 1.742 9.133 1.00 0.00 H new ATOM 995 N VAL A 779 -1.748 6.964 5.780 1.00 0.00 N ATOM 996 CA VAL A 779 -0.401 6.669 5.346 1.00 0.00 C ATOM 997 C VAL A 779 0.053 5.315 5.873 1.00 0.00 C ATOM 998 O VAL A 779 -0.089 4.989 7.055 1.00 0.00 O ATOM 999 CB VAL A 779 0.613 7.800 5.651 1.00 0.00 C ATOM 1000 CG1 VAL A 779 -0.082 9.062 6.094 1.00 0.00 C ATOM 1001 CG2 VAL A 779 1.668 7.342 6.605 1.00 0.00 C ATOM 0 H VAL A 779 -1.821 7.436 6.681 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.428 6.611 4.258 1.00 0.00 H new ATOM 0 HB VAL A 779 1.129 8.051 4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 779 0.660 9.833 6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -0.752 9.404 5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -0.657 8.862 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 779 2.363 8.159 6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 779 1.203 7.033 7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 779 2.209 6.500 6.173 1.00 0.00 H new ATOM 1011 N ILE A 780 0.552 4.529 4.944 1.00 0.00 N ATOM 1012 CA ILE A 780 0.936 3.153 5.168 1.00 0.00 C ATOM 1013 C ILE A 780 2.397 3.061 5.597 1.00 0.00 C ATOM 1014 O ILE A 780 3.246 3.769 5.073 1.00 0.00 O ATOM 1015 CB ILE A 780 0.720 2.351 3.867 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.760 2.240 3.527 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.332 0.965 3.953 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.974 1.587 2.186 1.00 0.00 C ATOM 0 H ILE A 780 0.706 4.839 3.985 1.00 0.00 H new ATOM 0 HA ILE A 780 0.321 2.739 5.967 1.00 0.00 H new ATOM 0 HB ILE A 780 1.224 2.900 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.269 1.662 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.209 3.233 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.159 0.432 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.404 1.051 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 780 0.873 0.415 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -2.042 1.525 1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.487 2.179 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.548 0.584 2.198 1.00 0.00 H new ATOM 1030 N LYS A 781 2.686 2.188 6.548 1.00 0.00 N ATOM 1031 CA LYS A 781 4.050 2.013 7.027 1.00 0.00 C ATOM 1032 C LYS A 781 4.579 0.650 6.624 1.00 0.00 C ATOM 1033 O LYS A 781 4.167 -0.377 7.170 1.00 0.00 O ATOM 1034 CB LYS A 781 4.144 2.169 8.550 1.00 0.00 C ATOM 1035 CG LYS A 781 3.912 3.585 9.053 1.00 0.00 C ATOM 1036 CD LYS A 781 2.434 3.964 9.074 1.00 0.00 C ATOM 1037 CE LYS A 781 1.707 3.418 10.301 1.00 0.00 C ATOM 1038 NZ LYS A 781 1.510 1.942 10.262 1.00 0.00 N ATOM 0 H LYS A 781 1.997 1.590 7.004 1.00 0.00 H new ATOM 0 HA LYS A 781 4.657 2.793 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.414 1.507 9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.130 1.838 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.323 3.682 10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 781 4.454 4.286 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 781 2.340 5.050 9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 781 1.952 3.586 8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 781 2.273 3.678 11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 781 0.735 3.905 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 0.671 1.689 10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 1.375 1.636 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 2.347 1.469 10.660 1.00 0.00 H new ATOM 1052 N THR A 782 5.487 0.644 5.668 1.00 0.00 N ATOM 1053 CA THR A 782 6.079 -0.591 5.202 1.00 0.00 C ATOM 1054 C THR A 782 7.132 -1.064 6.192 1.00 0.00 C ATOM 1055 O THR A 782 7.856 -0.243 6.769 1.00 0.00 O ATOM 1056 CB THR A 782 6.728 -0.428 3.824 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.925 0.345 3.924 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.762 0.231 2.877 1.00 0.00 C ATOM 0 H THR A 782 5.830 1.482 5.199 1.00 0.00 H new ATOM 0 HA THR A 782 5.278 -1.326 5.119 1.00 0.00 H new ATOM 0 HB THR A 782 6.985 -1.415 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 782 8.688 -0.193 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.231 0.344 1.899 1.00 0.00 H new ATOM 0 HG22 THR A 782 4.868 -0.385 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.487 1.213 3.263 1.00 0.00 H new ATOM 1066 N PRO A 783 7.225 -2.387 6.391 1.00 0.00 N ATOM 1067 CA PRO A 783 8.173 -3.002 7.331 1.00 0.00 C ATOM 1068 C PRO A 783 9.627 -2.620 7.056 1.00 0.00 C ATOM 1069 O PRO A 783 9.972 -2.169 5.962 1.00 0.00 O ATOM 1070 CB PRO A 783 7.976 -4.505 7.101 1.00 0.00 C ATOM 1071 CG PRO A 783 6.607 -4.628 6.534 1.00 0.00 C ATOM 1072 CD PRO A 783 6.398 -3.397 5.708 1.00 0.00 C ATOM 0 HA PRO A 783 7.985 -2.673 8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.725 -4.901 6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 783 8.070 -5.063 8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.515 -5.528 5.926 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.861 -4.700 7.325 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.716 -3.546 4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.348 -3.105 5.679 1.00 0.00 H new ATOM 1080 N VAL A 784 10.460 -2.804 8.072 1.00 0.00 N ATOM 1081 CA VAL A 784 11.885 -2.530 7.988 1.00 0.00 C ATOM 1082 C VAL A 784 12.558 -3.343 6.887 1.00 0.00 C ATOM 1083 O VAL A 784 12.506 -4.573 6.885 1.00 0.00 O ATOM 1084 CB VAL A 784 12.556 -2.836 9.343 1.00 0.00 C ATOM 1085 CG1 VAL A 784 14.069 -2.883 9.221 1.00 0.00 C ATOM 1086 CG2 VAL A 784 12.130 -1.807 10.368 1.00 0.00 C ATOM 0 H VAL A 784 10.161 -3.150 8.984 1.00 0.00 H new ATOM 0 HA VAL A 784 12.004 -1.475 7.742 1.00 0.00 H new ATOM 0 HB VAL A 784 12.230 -3.823 9.671 1.00 0.00 H new ATOM 0 HG11 VAL A 784 14.506 -3.101 10.195 1.00 0.00 H new ATOM 0 HG12 VAL A 784 14.353 -3.662 8.514 1.00 0.00 H new ATOM 0 HG13 VAL A 784 14.436 -1.920 8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 784 12.606 -2.027 11.324 1.00 0.00 H new ATOM 0 HG22 VAL A 784 12.430 -0.814 10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 784 11.047 -1.838 10.487 1.00 0.00 H new ATOM 1096 N PHE A 785 13.196 -2.644 5.963 1.00 0.00 N ATOM 1097 CA PHE A 785 13.907 -3.292 4.874 1.00 0.00 C ATOM 1098 C PHE A 785 15.400 -3.322 5.166 1.00 0.00 C ATOM 1099 O PHE A 785 16.115 -2.351 4.922 1.00 0.00 O ATOM 1100 CB PHE A 785 13.651 -2.566 3.553 1.00 0.00 C ATOM 1101 CG PHE A 785 12.196 -2.417 3.210 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.362 -3.525 3.140 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.664 -1.168 2.944 1.00 0.00 C ATOM 1104 CE1 PHE A 785 10.027 -3.384 2.813 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.332 -1.024 2.618 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.513 -2.131 2.552 1.00 0.00 C ATOM 0 H PHE A 785 13.236 -1.625 5.946 1.00 0.00 H new ATOM 0 HA PHE A 785 13.539 -4.314 4.786 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.106 -1.577 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.150 -3.108 2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 785 11.761 -4.508 3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.299 -0.296 2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.388 -4.253 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 785 9.930 -0.043 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.470 -2.017 2.296 1.00 0.00 H new ATOM 1116 N THR A 786 15.871 -4.446 5.685 1.00 0.00 N ATOM 1117 CA THR A 786 17.273 -4.599 6.042 1.00 0.00 C ATOM 1118 C THR A 786 18.102 -5.008 4.841 1.00 0.00 C ATOM 1119 O THR A 786 19.067 -5.765 4.949 1.00 0.00 O ATOM 1120 CB THR A 786 17.431 -5.621 7.167 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.818 -6.867 6.801 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.786 -5.075 8.418 1.00 0.00 C ATOM 0 H THR A 786 15.299 -5.270 5.869 1.00 0.00 H new ATOM 0 HA THR A 786 17.636 -3.633 6.392 1.00 0.00 H new ATOM 0 HB THR A 786 18.491 -5.801 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.928 -7.512 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 786 16.893 -5.797 9.227 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.271 -4.140 8.699 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.728 -4.893 8.232 1.00 0.00 H new ATOM 1130 N THR A 787 17.704 -4.504 3.691 1.00 0.00 N ATOM 1131 CA THR A 787 18.411 -4.772 2.452 1.00 0.00 C ATOM 1132 C THR A 787 18.180 -3.657 1.439 1.00 0.00 C ATOM 1133 O THR A 787 17.053 -3.451 0.990 1.00 0.00 O ATOM 1134 CB THR A 787 17.971 -6.100 1.828 1.00 0.00 C ATOM 1135 OG1 THR A 787 17.961 -7.137 2.821 1.00 0.00 O ATOM 1136 CG2 THR A 787 18.902 -6.490 0.690 1.00 0.00 C ATOM 0 H THR A 787 16.888 -3.901 3.587 1.00 0.00 H new ATOM 0 HA THR A 787 19.470 -4.828 2.702 1.00 0.00 H new ATOM 0 HB THR A 787 16.963 -5.974 1.432 1.00 0.00 H new ATOM 0 HG1 THR A 787 17.677 -7.980 2.411 1.00 0.00 H new ATOM 0 HG21 THR A 787 18.574 -7.436 0.259 1.00 0.00 H new ATOM 0 HG22 THR A 787 18.883 -5.716 -0.077 1.00 0.00 H new ATOM 0 HG23 THR A 787 19.917 -6.598 1.071 1.00 0.00 H new ATOM 1144 N GLY A 788 19.240 -2.910 1.129 1.00 0.00 N ATOM 1145 CA GLY A 788 19.195 -1.972 0.029 1.00 0.00 C ATOM 1146 C GLY A 788 18.674 -2.598 -1.245 1.00 0.00 C ATOM 1147 O GLY A 788 19.315 -3.469 -1.834 1.00 0.00 O ATOM 0 H GLY A 788 20.130 -2.942 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.561 -1.128 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 788 20.195 -1.576 -0.147 1.00 0.00 H new ATOM 1151 N GLY A 789 17.506 -2.156 -1.657 1.00 0.00 N ATOM 1152 CA GLY A 789 16.892 -2.665 -2.860 1.00 0.00 C ATOM 1153 C GLY A 789 15.891 -1.684 -3.419 1.00 0.00 C ATOM 1154 O GLY A 789 16.053 -0.476 -3.266 1.00 0.00 O ATOM 0 H GLY A 789 16.962 -1.442 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.661 -2.869 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.397 -3.612 -2.646 1.00 0.00 H new ATOM 1158 N ASP A 790 14.850 -2.187 -4.049 1.00 0.00 N ATOM 1159 CA ASP A 790 13.827 -1.326 -4.603 1.00 0.00 C ATOM 1160 C ASP A 790 12.484 -2.009 -4.463 1.00 0.00 C ATOM 1161 O ASP A 790 12.313 -3.157 -4.887 1.00 0.00 O ATOM 1162 CB ASP A 790 14.121 -1.021 -6.070 1.00 0.00 C ATOM 1163 CG ASP A 790 13.399 0.214 -6.570 1.00 0.00 C ATOM 1164 OD1 ASP A 790 12.305 0.081 -7.155 1.00 0.00 O ATOM 1165 OD2 ASP A 790 13.935 1.332 -6.398 1.00 0.00 O ATOM 0 H ASP A 790 14.690 -3.185 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 790 13.814 -0.381 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 790 15.195 -0.886 -6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.831 -1.877 -6.679 1.00 0.00 H new ATOM 1170 N TYR A 791 11.551 -1.328 -3.835 1.00 0.00 N ATOM 1171 CA TYR A 791 10.254 -1.905 -3.567 1.00 0.00 C ATOM 1172 C TYR A 791 9.157 -1.111 -4.243 1.00 0.00 C ATOM 1173 O TYR A 791 9.241 0.109 -4.362 1.00 0.00 O ATOM 1174 CB TYR A 791 9.990 -1.957 -2.061 1.00 0.00 C ATOM 1175 CG TYR A 791 10.974 -2.809 -1.297 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.177 -2.281 -0.848 1.00 0.00 C ATOM 1177 CD2 TYR A 791 10.702 -4.142 -1.033 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.084 -3.063 -0.156 1.00 0.00 C ATOM 1179 CE2 TYR A 791 11.598 -4.926 -0.341 1.00 0.00 C ATOM 1180 CZ TYR A 791 12.788 -4.386 0.094 1.00 0.00 C ATOM 1181 OH TYR A 791 13.682 -5.176 0.776 1.00 0.00 O ATOM 0 H TYR A 791 11.668 -0.372 -3.500 1.00 0.00 H new ATOM 0 HA TYR A 791 10.253 -2.919 -3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 791 10.016 -0.943 -1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 791 8.984 -2.340 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.408 -1.244 -1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 791 9.773 -4.573 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 791 14.017 -2.640 0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 791 11.368 -5.962 -0.140 1.00 0.00 H new ATOM 0 HH TYR A 791 13.717 -6.063 0.361 1.00 0.00 H new ATOM 1191 N ILE A 792 8.139 -1.811 -4.689 1.00 0.00 N ATOM 1192 CA ILE A 792 6.964 -1.173 -5.237 1.00 0.00 C ATOM 1193 C ILE A 792 5.737 -1.633 -4.476 1.00 0.00 C ATOM 1194 O ILE A 792 5.339 -2.794 -4.549 1.00 0.00 O ATOM 1195 CB ILE A 792 6.808 -1.463 -6.741 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.917 -0.758 -7.516 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.449 -0.992 -7.234 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.347 -1.485 -8.760 1.00 0.00 C ATOM 0 H ILE A 792 8.102 -2.830 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 792 7.077 -0.095 -5.127 1.00 0.00 H new ATOM 0 HB ILE A 792 6.881 -2.538 -6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.577 0.241 -7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.781 -0.633 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.355 -1.204 -8.299 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.663 -1.515 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.354 0.081 -7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 792 9.138 -0.922 -9.256 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.719 -2.474 -8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.497 -1.587 -9.434 1.00 0.00 H new ATOM 1210 N LEU A 793 5.160 -0.730 -3.717 1.00 0.00 N ATOM 1211 CA LEU A 793 3.978 -1.048 -2.958 1.00 0.00 C ATOM 1212 C LEU A 793 2.748 -0.878 -3.840 1.00 0.00 C ATOM 1213 O LEU A 793 2.365 0.232 -4.197 1.00 0.00 O ATOM 1214 CB LEU A 793 3.887 -0.190 -1.693 1.00 0.00 C ATOM 1215 CG LEU A 793 2.605 -0.380 -0.874 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.173 -1.823 -0.852 1.00 0.00 C ATOM 1217 CD2 LEU A 793 2.766 0.162 0.532 1.00 0.00 C ATOM 0 H LEU A 793 5.491 0.229 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 793 4.032 -2.087 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.743 -0.414 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.967 0.859 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 793 1.817 0.192 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.261 -1.921 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 793 1.985 -2.162 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.960 -2.432 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 793 1.840 0.013 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 793 3.579 -0.363 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 793 2.995 1.227 0.488 1.00 0.00 H new ATOM 1229 N SER A 794 2.149 -1.999 -4.178 1.00 0.00 N ATOM 1230 CA SER A 794 1.037 -2.045 -5.105 1.00 0.00 C ATOM 1231 C SER A 794 -0.233 -2.452 -4.376 1.00 0.00 C ATOM 1232 O SER A 794 -0.174 -3.088 -3.326 1.00 0.00 O ATOM 1233 CB SER A 794 1.334 -3.050 -6.215 1.00 0.00 C ATOM 1234 OG SER A 794 2.580 -2.776 -6.835 1.00 0.00 O ATOM 0 H SER A 794 2.422 -2.912 -3.815 1.00 0.00 H new ATOM 0 HA SER A 794 0.897 -1.055 -5.539 1.00 0.00 H new ATOM 0 HB2 SER A 794 1.344 -4.059 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 794 0.539 -3.018 -6.960 1.00 0.00 H new ATOM 0 HG SER A 794 2.746 -3.435 -7.541 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.372 -2.089 -4.930 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.645 -2.414 -4.325 1.00 0.00 C ATOM 1242 C LEU A 795 -3.158 -3.741 -4.854 1.00 0.00 C ATOM 1243 O LEU A 795 -3.187 -3.971 -6.063 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.628 -1.299 -4.619 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.158 0.072 -4.150 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.136 1.134 -4.578 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -2.966 0.081 -2.642 1.00 0.00 C ATOM 0 H LEU A 795 -1.441 -1.566 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.525 -2.511 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -3.812 -1.262 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.580 -1.530 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.196 0.291 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -3.788 2.109 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -4.216 1.138 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.113 0.925 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.630 1.068 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -3.911 -0.156 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -2.219 -0.663 -2.366 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.553 -4.612 -3.941 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.982 -5.950 -4.303 1.00 0.00 C ATOM 1261 C VAL A 796 -5.477 -6.000 -4.537 1.00 0.00 C ATOM 1262 O VAL A 796 -5.931 -6.378 -5.618 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.605 -6.967 -3.209 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -4.175 -8.344 -3.514 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -2.108 -7.029 -3.090 1.00 0.00 C ATOM 0 H VAL A 796 -3.585 -4.415 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.468 -6.213 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 796 -4.034 -6.641 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.891 -9.039 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.262 -8.283 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.781 -8.698 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.834 -7.747 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.680 -7.340 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.723 -6.045 -2.824 1.00 0.00 H new ATOM 1275 N SER A 797 -6.237 -5.574 -3.542 1.00 0.00 N ATOM 1276 CA SER A 797 -7.676 -5.726 -3.585 1.00 0.00 C ATOM 1277 C SER A 797 -8.311 -5.144 -2.331 1.00 0.00 C ATOM 1278 O SER A 797 -7.615 -4.629 -1.463 1.00 0.00 O ATOM 1279 CB SER A 797 -8.018 -7.212 -3.723 1.00 0.00 C ATOM 1280 OG SER A 797 -7.554 -7.959 -2.605 1.00 0.00 O ATOM 0 H SER A 797 -5.881 -5.123 -2.700 1.00 0.00 H new ATOM 0 HA SER A 797 -8.073 -5.183 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 797 -9.097 -7.331 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 797 -7.572 -7.606 -4.636 1.00 0.00 H new ATOM 0 HG SER A 797 -7.789 -8.903 -2.722 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.630 -5.204 -2.255 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.352 -4.702 -1.099 1.00 0.00 C ATOM 1288 C ILE A 798 -11.615 -5.531 -0.894 1.00 0.00 C ATOM 1289 O ILE A 798 -12.050 -6.231 -1.804 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.706 -3.210 -1.281 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -11.009 -2.548 0.061 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.891 -3.065 -2.216 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.844 -1.044 0.037 1.00 0.00 C ATOM 0 H ILE A 798 -10.225 -5.598 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.718 -4.789 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.843 -2.708 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -12.030 -2.790 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.350 -2.967 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -12.132 -2.009 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.643 -3.494 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.751 -3.588 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -11.075 -0.637 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.816 -0.795 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.522 -0.615 -0.701 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.196 -5.467 0.292 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.386 -6.240 0.591 1.00 0.00 C ATOM 1307 C LYS A 799 -14.433 -5.376 1.271 1.00 0.00 C ATOM 1308 O LYS A 799 -14.174 -4.761 2.307 1.00 0.00 O ATOM 1309 CB LYS A 799 -13.025 -7.461 1.445 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.196 -8.128 2.150 1.00 0.00 C ATOM 1311 CD LYS A 799 -14.184 -7.781 3.634 1.00 0.00 C ATOM 1312 CE LYS A 799 -14.998 -8.758 4.461 1.00 0.00 C ATOM 1313 NZ LYS A 799 -14.822 -8.523 5.919 1.00 0.00 N ATOM 0 H LYS A 799 -11.862 -4.888 1.062 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.815 -6.598 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.538 -8.199 0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.296 -7.156 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -15.134 -7.802 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.140 -9.209 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -13.155 -7.773 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -14.579 -6.774 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -16.053 -8.664 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -14.700 -9.778 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -15.393 -9.209 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -13.819 -8.637 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -15.130 -7.558 6.155 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.598 -5.313 0.645 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.753 -4.625 1.199 1.00 0.00 C ATOM 1329 C ASP A 800 -17.236 -5.344 2.446 1.00 0.00 C ATOM 1330 O ASP A 800 -17.033 -6.551 2.584 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.874 -4.575 0.156 1.00 0.00 C ATOM 1332 CG ASP A 800 -19.172 -4.023 0.712 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -19.984 -4.817 1.226 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.387 -2.801 0.638 1.00 0.00 O ATOM 0 H ASP A 800 -15.769 -5.740 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.469 -3.607 1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.554 -3.960 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -18.048 -5.579 -0.231 1.00 0.00 H new ATOM 1339 N SER A 801 -17.903 -4.592 3.319 1.00 0.00 N ATOM 1340 CA SER A 801 -18.303 -5.056 4.644 1.00 0.00 C ATOM 1341 C SER A 801 -19.212 -6.290 4.590 1.00 0.00 C ATOM 1342 O SER A 801 -19.418 -6.952 5.606 1.00 0.00 O ATOM 1343 CB SER A 801 -19.003 -3.916 5.389 1.00 0.00 C ATOM 1344 OG SER A 801 -19.376 -4.300 6.704 1.00 0.00 O ATOM 0 H SER A 801 -18.184 -3.631 3.123 1.00 0.00 H new ATOM 0 HA SER A 801 -17.400 -5.356 5.175 1.00 0.00 H new ATOM 0 HB2 SER A 801 -18.341 -3.051 5.436 1.00 0.00 H new ATOM 0 HB3 SER A 801 -19.890 -3.609 4.834 1.00 0.00 H new ATOM 0 HG SER A 801 -19.486 -5.273 6.742 1.00 0.00 H new ATOM 1350 N THR A 802 -19.750 -6.600 3.415 1.00 0.00 N ATOM 1351 CA THR A 802 -20.600 -7.774 3.250 1.00 0.00 C ATOM 1352 C THR A 802 -19.780 -8.948 2.722 1.00 0.00 C ATOM 1353 O THR A 802 -20.308 -10.016 2.416 1.00 0.00 O ATOM 1354 CB THR A 802 -21.772 -7.484 2.291 1.00 0.00 C ATOM 1355 OG1 THR A 802 -21.273 -7.033 1.024 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.694 -6.427 2.879 1.00 0.00 C ATOM 0 H THR A 802 -19.613 -6.055 2.564 1.00 0.00 H new ATOM 0 HA THR A 802 -21.011 -8.030 4.227 1.00 0.00 H new ATOM 0 HB THR A 802 -22.335 -8.406 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 802 -21.142 -6.062 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.515 -6.235 2.188 1.00 0.00 H new ATOM 0 HG22 THR A 802 -23.094 -6.781 3.829 1.00 0.00 H new ATOM 0 HG23 THR A 802 -22.134 -5.506 3.042 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.477 -8.726 2.629 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.564 -9.736 2.143 1.00 0.00 C ATOM 1366 C GLY A 803 -17.521 -9.786 0.635 1.00 0.00 C ATOM 1367 O GLY A 803 -17.459 -10.864 0.043 1.00 0.00 O ATOM 0 H GLY A 803 -18.031 -7.846 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.564 -9.535 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.863 -10.710 2.529 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.544 -8.621 0.010 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.498 -8.548 -1.445 1.00 0.00 C ATOM 1373 C CYS A 804 -16.169 -7.962 -1.900 1.00 0.00 C ATOM 1374 O CYS A 804 -15.874 -6.801 -1.635 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.664 -7.712 -1.980 1.00 0.00 C ATOM 1376 SG CYS A 804 -20.291 -8.319 -1.477 1.00 0.00 S ATOM 0 H CYS A 804 -17.594 -7.718 0.481 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.590 -9.557 -1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -18.549 -6.684 -1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.615 -7.692 -3.069 1.00 0.00 H new ATOM 0 HG CYS A 804 -20.538 -7.939 -0.259 1.00 0.00 H new ATOM 1382 N VAL A 805 -15.369 -8.763 -2.583 1.00 0.00 N ATOM 1383 CA VAL A 805 -14.026 -8.347 -2.951 1.00 0.00 C ATOM 1384 C VAL A 805 -14.024 -7.558 -4.258 1.00 0.00 C ATOM 1385 O VAL A 805 -14.736 -7.886 -5.209 1.00 0.00 O ATOM 1386 CB VAL A 805 -13.066 -9.559 -3.056 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -13.521 -10.532 -4.135 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -11.636 -9.102 -3.307 1.00 0.00 C ATOM 0 H VAL A 805 -15.624 -9.701 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.667 -7.693 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 805 -13.091 -10.084 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -12.827 -11.371 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -14.519 -10.900 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -13.543 -10.023 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -10.983 -9.972 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -11.592 -8.540 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -11.307 -8.466 -2.485 1.00 0.00 H new ATOM 1398 N VAL A 806 -13.247 -6.490 -4.268 1.00 0.00 N ATOM 1399 CA VAL A 806 -13.067 -5.663 -5.446 1.00 0.00 C ATOM 1400 C VAL A 806 -11.604 -5.695 -5.860 1.00 0.00 C ATOM 1401 O VAL A 806 -10.710 -5.639 -5.011 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.506 -4.205 -5.183 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -13.229 -3.318 -6.388 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.978 -4.154 -4.822 1.00 0.00 C ATOM 0 H VAL A 806 -12.721 -6.171 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.691 -6.060 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 806 -12.922 -3.826 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.549 -2.299 -6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -12.161 -3.324 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.778 -3.695 -7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.272 -3.120 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.568 -4.560 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.153 -4.745 -3.923 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.367 -5.804 -7.155 1.00 0.00 N ATOM 1415 CA GLY A 807 -10.007 -5.874 -7.659 1.00 0.00 C ATOM 1416 C GLY A 807 -9.414 -4.505 -7.917 1.00 0.00 C ATOM 1417 O GLY A 807 -9.840 -3.790 -8.822 1.00 0.00 O ATOM 0 H GLY A 807 -12.092 -5.846 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.384 -6.407 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.995 -6.452 -8.583 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.445 -4.143 -7.096 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.745 -2.886 -7.202 1.00 0.00 C ATOM 1423 C LEU A 808 -6.669 -2.886 -8.274 1.00 0.00 C ATOM 1424 O LEU A 808 -5.833 -3.785 -8.338 1.00 0.00 O ATOM 1425 CB LEU A 808 -7.130 -2.561 -5.854 1.00 0.00 C ATOM 1426 CG LEU A 808 -8.081 -1.906 -4.865 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -9.269 -2.791 -4.555 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -7.345 -1.539 -3.593 1.00 0.00 C ATOM 0 H LEU A 808 -8.121 -4.728 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.470 -2.128 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.746 -3.481 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.276 -1.901 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.465 -0.997 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -9.924 -2.286 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -9.819 -2.996 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.921 -3.729 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -8.038 -1.071 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -6.927 -2.439 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -6.540 -0.843 -3.827 1.00 0.00 H new ATOM 1440 N SER A 809 -6.716 -1.870 -9.119 1.00 0.00 N ATOM 1441 CA SER A 809 -5.636 -1.574 -10.040 1.00 0.00 C ATOM 1442 C SER A 809 -5.441 -0.062 -10.064 1.00 0.00 C ATOM 1443 O SER A 809 -6.022 0.653 -10.883 1.00 0.00 O ATOM 1444 CB SER A 809 -5.957 -2.114 -11.438 1.00 0.00 C ATOM 1445 OG SER A 809 -4.808 -2.113 -12.269 1.00 0.00 O ATOM 0 H SER A 809 -7.506 -1.228 -9.184 1.00 0.00 H new ATOM 0 HA SER A 809 -4.716 -2.059 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 809 -6.349 -3.128 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 809 -6.738 -1.506 -11.894 1.00 0.00 H new ATOM 0 HG SER A 809 -5.043 -2.464 -13.153 1.00 0.00 H new ATOM 1451 N GLN A 810 -4.628 0.413 -9.136 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.480 1.839 -8.880 1.00 0.00 C ATOM 1453 C GLN A 810 -3.012 2.210 -8.622 1.00 0.00 C ATOM 1454 O GLN A 810 -2.160 1.319 -8.578 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.362 2.201 -7.696 1.00 0.00 C ATOM 1456 CG GLN A 810 -6.743 2.669 -8.109 1.00 0.00 C ATOM 1457 CD GLN A 810 -7.726 2.587 -6.974 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -7.629 1.692 -6.137 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -8.652 3.533 -6.922 1.00 0.00 N ATOM 0 H GLN A 810 -4.051 -0.178 -8.537 1.00 0.00 H new ATOM 0 HA GLN A 810 -4.791 2.407 -9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -5.458 1.334 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -4.877 2.985 -7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.686 3.697 -8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.098 2.062 -8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -8.687 4.253 -7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -9.330 3.542 -6.160 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.690 3.523 -8.477 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.313 4.001 -8.248 1.00 0.00 C ATOM 1470 C PRO A 811 -0.531 3.198 -7.208 1.00 0.00 C ATOM 1471 O PRO A 811 -1.087 2.699 -6.226 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.528 5.427 -7.749 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.759 5.875 -8.447 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.637 4.660 -8.564 1.00 0.00 C ATOM 0 HA PRO A 811 -0.714 3.910 -9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.651 5.456 -6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.678 6.066 -7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -3.259 6.665 -7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.523 6.282 -9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.378 4.624 -7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.184 4.652 -9.507 1.00 0.00 H new ATOM 1482 N ASP A 812 0.772 3.096 -7.439 1.00 0.00 N ATOM 1483 CA ASP A 812 1.660 2.325 -6.578 1.00 0.00 C ATOM 1484 C ASP A 812 2.745 3.207 -5.978 1.00 0.00 C ATOM 1485 O ASP A 812 2.935 4.352 -6.389 1.00 0.00 O ATOM 1486 CB ASP A 812 2.312 1.177 -7.350 1.00 0.00 C ATOM 1487 CG ASP A 812 3.015 1.638 -8.611 1.00 0.00 C ATOM 1488 OD1 ASP A 812 2.446 1.458 -9.710 1.00 0.00 O ATOM 1489 OD2 ASP A 812 4.136 2.184 -8.515 1.00 0.00 O ATOM 0 H ASP A 812 1.242 3.544 -8.226 1.00 0.00 H new ATOM 0 HA ASP A 812 1.051 1.914 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 812 3.030 0.673 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.550 0.443 -7.613 1.00 0.00 H new ATOM 1494 N ALA A 813 3.427 2.665 -4.984 1.00 0.00 N ATOM 1495 CA ALA A 813 4.516 3.359 -4.310 1.00 0.00 C ATOM 1496 C ALA A 813 5.850 2.787 -4.745 1.00 0.00 C ATOM 1497 O ALA A 813 5.955 1.594 -5.003 1.00 0.00 O ATOM 1498 CB ALA A 813 4.394 3.218 -2.801 1.00 0.00 C ATOM 0 H ALA A 813 3.243 1.730 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 813 4.457 4.413 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.218 3.744 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.447 3.646 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.429 2.163 -2.530 1.00 0.00 H new ATOM 1504 N LYS A 814 6.864 3.622 -4.822 1.00 0.00 N ATOM 1505 CA LYS A 814 8.205 3.138 -5.072 1.00 0.00 C ATOM 1506 C LYS A 814 9.144 3.572 -3.964 1.00 0.00 C ATOM 1507 O LYS A 814 9.424 4.752 -3.778 1.00 0.00 O ATOM 1508 CB LYS A 814 8.714 3.567 -6.448 1.00 0.00 C ATOM 1509 CG LYS A 814 8.350 2.567 -7.535 1.00 0.00 C ATOM 1510 CD LYS A 814 8.882 2.967 -8.904 1.00 0.00 C ATOM 1511 CE LYS A 814 7.951 3.920 -9.644 1.00 0.00 C ATOM 1512 NZ LYS A 814 7.886 5.266 -9.016 1.00 0.00 N ATOM 0 H LYS A 814 6.787 4.634 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 814 8.174 2.048 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.297 4.542 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.797 3.683 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 814 8.745 1.587 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 814 7.265 2.470 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 814 9.858 3.438 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 814 9.031 2.071 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 814 8.288 4.021 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 814 6.950 3.490 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 7.615 5.970 -9.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 7.180 5.259 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 8.818 5.512 -8.624 1.00 0.00 H new ATOM 1526 N ILE A 815 9.596 2.584 -3.227 1.00 0.00 N ATOM 1527 CA ILE A 815 10.450 2.771 -2.068 1.00 0.00 C ATOM 1528 C ILE A 815 11.854 2.260 -2.389 1.00 0.00 C ATOM 1529 O ILE A 815 12.068 1.053 -2.518 1.00 0.00 O ATOM 1530 CB ILE A 815 9.884 1.991 -0.858 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.491 2.512 -0.472 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.829 2.052 0.330 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.339 1.704 -1.054 1.00 0.00 C ATOM 0 H ILE A 815 9.378 1.606 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 815 10.489 3.832 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 815 9.788 0.947 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.405 2.516 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.398 3.546 -0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.402 1.494 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.789 1.615 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.975 3.091 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.392 2.138 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.396 1.721 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.403 0.674 -0.703 1.00 0.00 H new ATOM 1545 N GLN A 816 12.801 3.169 -2.532 1.00 0.00 N ATOM 1546 CA GLN A 816 14.153 2.800 -2.912 1.00 0.00 C ATOM 1547 C GLN A 816 15.047 2.737 -1.683 1.00 0.00 C ATOM 1548 O GLN A 816 15.404 3.760 -1.100 1.00 0.00 O ATOM 1549 CB GLN A 816 14.710 3.799 -3.926 1.00 0.00 C ATOM 1550 CG GLN A 816 16.012 3.348 -4.569 1.00 0.00 C ATOM 1551 CD GLN A 816 17.231 4.046 -3.999 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.830 3.464 -2.975 1.00 0.00 O flip ATOM 1553 NE2 GLN A 816 17.644 5.095 -4.489 1.00 0.00 N flip ATOM 0 H GLN A 816 12.659 4.169 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 816 14.129 1.813 -3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.967 3.965 -4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.871 4.756 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 816 16.122 2.272 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.963 3.533 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.156 5.516 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.475 5.545 -4.105 1.00 0.00 H new ATOM 1562 N VAL A 817 15.418 1.531 -1.305 1.00 0.00 N ATOM 1563 CA VAL A 817 16.255 1.319 -0.141 1.00 0.00 C ATOM 1564 C VAL A 817 17.703 1.137 -0.579 1.00 0.00 C ATOM 1565 O VAL A 817 17.974 0.603 -1.650 1.00 0.00 O ATOM 1566 CB VAL A 817 15.772 0.095 0.673 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.699 -0.198 1.844 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.361 0.336 1.184 1.00 0.00 C ATOM 0 H VAL A 817 15.150 0.675 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 817 16.186 2.194 0.505 1.00 0.00 H new ATOM 0 HB VAL A 817 15.780 -0.771 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 817 16.329 -1.064 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.702 -0.406 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 817 16.731 0.666 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 817 14.028 -0.530 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 817 14.351 1.219 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.690 0.493 0.339 1.00 0.00 H new ATOM 1578 N ARG A 818 18.624 1.613 0.227 1.00 0.00 N ATOM 1579 CA ARG A 818 20.036 1.532 -0.088 1.00 0.00 C ATOM 1580 C ARG A 818 20.782 1.157 1.174 1.00 0.00 C ATOM 1581 O ARG A 818 20.168 1.003 2.218 1.00 0.00 O ATOM 1582 CB ARG A 818 20.516 2.887 -0.629 1.00 0.00 C ATOM 1583 CG ARG A 818 21.807 2.846 -1.429 1.00 0.00 C ATOM 1584 CD ARG A 818 21.617 2.123 -2.749 1.00 0.00 C ATOM 1585 NE ARG A 818 22.809 2.195 -3.592 1.00 0.00 N ATOM 1586 CZ ARG A 818 22.901 1.644 -4.803 1.00 0.00 C ATOM 1587 NH1 ARG A 818 21.887 0.941 -5.299 1.00 0.00 N ATOM 1588 NH2 ARG A 818 24.013 1.794 -5.515 1.00 0.00 N ATOM 0 H ARG A 818 18.419 2.066 1.117 1.00 0.00 H new ATOM 0 HA ARG A 818 20.221 0.777 -0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 818 19.731 3.307 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 818 20.650 3.568 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 818 22.154 3.862 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 818 22.582 2.347 -0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.371 1.078 -2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.770 2.557 -3.281 1.00 0.00 H new ATOM 0 HE ARG A 818 23.620 2.698 -3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 818 21.034 0.821 -4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 818 21.962 0.522 -6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 818 24.794 2.329 -5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 818 24.086 1.374 -6.441 1.00 0.00 H new