USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 996 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 880 HIS : no HD1:sc= -0.926 X(o=-0.91,f=-1.2) USER MOD Set 1.2: A 883 SER OG : rot 180:sc= 0.021 USER MOD Set 2.1: A 833 THR OG1 : rot 79:sc= 1.67 USER MOD Set 2.2: A 867 THR OG1 : rot -140:sc= 0.0226 USER MOD Set 3.1: A 811 ASN : amide:sc= 1.07 K(o=2.6,f=-0.59) USER MOD Set 3.2: A 825 GLN : amide:sc= 1.55 K(o=2.6,f=-3.1!) USER MOD Set 4.1: A 784 HIS : no HE2:sc= -1.42 K(o=-5.6,f=-7.3!) USER MOD Set 4.2: A 852 ASN : amide:sc= -4.19! K(o=-5.6!,f=-7.3) USER MOD Set 5.1: A 779 ASN : amide:sc=-0.00236 K(o=2.3,f=-1.1) USER MOD Set 5.2: A 783 GLN : amide:sc= 1.09 K(o=2.3,f=-7.1) USER MOD Set 5.3: A 786 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0) USER MOD Set 6.1: A 753 HIS : no HD1:sc= -0.886 X(o=0.17,f=0.31) USER MOD Set 6.2: A 755 GLN : amide:sc= 1.05 K(o=0.17,f=-0.75) USER MOD Single : A 752 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 754 MET CE :methyl 166:sc=-0.000586 (180deg=-0.0663) USER MOD Single : A 758 THR OG1 : rot 62:sc= 1.14 USER MOD Single : A 762 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.7!) USER MOD Single : A 772 THR OG1 : rot 76:sc= 1.18 USER MOD Single : A 775 THR OG1 : rot -170:sc= -0.187 USER MOD Single : A 776 GLN : amide:sc= -0.728 K(o=-0.73,f=-0.19) USER MOD Single : A 788 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.1) USER MOD Single : A 790 THR OG1 : rot -127:sc= 1.2 USER MOD Single : A 798 TYR OH : rot 11:sc= 1.11 USER MOD Single : A 800 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 802 THR OG1 : rot -85:sc= 1.15 USER MOD Single : A 804 THR OG1 : rot 68:sc= 0.974 USER MOD Single : A 807 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 809 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 814 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 815 SER OG : rot 85:sc= 1.24 USER MOD Single : A 816 MET CE :methyl 161:sc= -1.31 (180deg=-1.53) USER MOD Single : A 822 MET CE :methyl 165:sc= -0.721 (180deg=-1.28) USER MOD Single : A 831 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 834 SER OG : rot 65:sc= 1.24 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 SER OG : rot 180:sc= 0.0539 USER MOD Single : A 853 SER OG : rot 108:sc= 1.23 USER MOD Single : A 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 76:sc= 1.28 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl 161:sc= -2.83 (180deg=-4.77!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 886 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 887 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 888 GLN : amide:sc= 0.19 K(o=0.19,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 751 -12.280 -7.413 24.195 1.00 0.00 N ATOM 2 CA GLY A 751 -10.819 -7.390 24.436 1.00 0.00 C ATOM 3 C GLY A 751 -10.168 -6.195 23.782 1.00 0.00 C ATOM 4 O GLY A 751 -10.843 -5.210 23.483 1.00 0.00 O ATOM 0 HA2 GLY A 751 -10.627 -7.368 25.509 1.00 0.00 H new ATOM 0 HA3 GLY A 751 -10.371 -8.306 24.050 1.00 0.00 H new ATOM 10 N SER A 752 -8.868 -6.276 23.545 1.00 0.00 N ATOM 11 CA SER A 752 -8.137 -5.185 22.923 1.00 0.00 C ATOM 12 C SER A 752 -8.387 -5.164 21.418 1.00 0.00 C ATOM 13 O SER A 752 -7.570 -5.641 20.631 1.00 0.00 O ATOM 14 CB SER A 752 -6.640 -5.320 23.214 1.00 0.00 C ATOM 15 OG SER A 752 -6.412 -6.163 24.335 1.00 0.00 O ATOM 0 H SER A 752 -8.297 -7.089 23.775 1.00 0.00 H new ATOM 0 HA SER A 752 -8.492 -4.244 23.343 1.00 0.00 H new ATOM 0 HB2 SER A 752 -6.131 -5.726 22.340 1.00 0.00 H new ATOM 0 HB3 SER A 752 -6.212 -4.335 23.402 1.00 0.00 H new ATOM 0 HG SER A 752 -5.449 -6.235 24.500 1.00 0.00 H new ATOM 21 N HIS A 753 -9.536 -4.629 21.031 1.00 0.00 N ATOM 22 CA HIS A 753 -9.895 -4.506 19.626 1.00 0.00 C ATOM 23 C HIS A 753 -9.127 -3.353 18.992 1.00 0.00 C ATOM 24 O HIS A 753 -9.648 -2.248 18.856 1.00 0.00 O ATOM 25 CB HIS A 753 -11.401 -4.280 19.487 1.00 0.00 C ATOM 26 CG HIS A 753 -12.033 -5.041 18.364 1.00 0.00 C ATOM 27 ND1 HIS A 753 -11.429 -6.106 17.727 1.00 0.00 N ATOM 28 CD2 HIS A 753 -13.238 -4.887 17.770 1.00 0.00 C ATOM 29 CE1 HIS A 753 -12.239 -6.570 16.793 1.00 0.00 C ATOM 30 NE2 HIS A 753 -13.340 -5.849 16.800 1.00 0.00 N ATOM 0 H HIS A 753 -10.240 -4.271 21.676 1.00 0.00 H new ATOM 0 HA HIS A 753 -9.631 -5.429 19.110 1.00 0.00 H new ATOM 0 HB2 HIS A 753 -11.887 -4.561 20.421 1.00 0.00 H new ATOM 0 HB3 HIS A 753 -11.586 -3.216 19.340 1.00 0.00 H new ATOM 0 HD2 HIS A 753 -13.982 -4.143 18.015 1.00 0.00 H new ATOM 0 HE1 HIS A 753 -12.033 -7.401 16.135 1.00 0.00 H new ATOM 0 HE2 HIS A 753 -14.140 -5.985 16.183 1.00 0.00 H new ATOM 39 N MET A 754 -7.884 -3.620 18.617 1.00 0.00 N ATOM 40 CA MET A 754 -6.997 -2.589 18.094 1.00 0.00 C ATOM 41 C MET A 754 -7.366 -2.203 16.666 1.00 0.00 C ATOM 42 O MET A 754 -6.789 -2.705 15.697 1.00 0.00 O ATOM 43 CB MET A 754 -5.546 -3.065 18.153 1.00 0.00 C ATOM 44 CG MET A 754 -4.676 -2.234 19.077 1.00 0.00 C ATOM 45 SD MET A 754 -3.182 -1.634 18.267 1.00 0.00 S ATOM 46 CE MET A 754 -3.873 -0.464 17.101 1.00 0.00 C ATOM 0 H MET A 754 -7.464 -4.548 18.666 1.00 0.00 H new ATOM 0 HA MET A 754 -7.111 -1.703 18.718 1.00 0.00 H new ATOM 0 HB2 MET A 754 -5.525 -4.104 18.483 1.00 0.00 H new ATOM 0 HB3 MET A 754 -5.123 -3.041 17.149 1.00 0.00 H new ATOM 0 HG2 MET A 754 -5.251 -1.385 19.446 1.00 0.00 H new ATOM 0 HG3 MET A 754 -4.399 -2.832 19.945 1.00 0.00 H new ATOM 0 HE1 MET A 754 -3.078 0.166 16.703 1.00 0.00 H new ATOM 0 HE2 MET A 754 -4.351 -1.004 16.284 1.00 0.00 H new ATOM 0 HE3 MET A 754 -4.612 0.159 17.605 1.00 0.00 H new ATOM 56 N GLN A 755 -8.332 -1.308 16.546 1.00 0.00 N ATOM 57 CA GLN A 755 -8.767 -0.806 15.255 1.00 0.00 C ATOM 58 C GLN A 755 -8.904 0.710 15.312 1.00 0.00 C ATOM 59 O GLN A 755 -9.769 1.288 14.650 1.00 0.00 O ATOM 60 CB GLN A 755 -10.102 -1.438 14.864 1.00 0.00 C ATOM 61 CG GLN A 755 -9.967 -2.616 13.915 1.00 0.00 C ATOM 62 CD GLN A 755 -11.055 -3.652 14.112 1.00 0.00 C ATOM 63 OE1 GLN A 755 -10.775 -4.833 14.324 1.00 0.00 O ATOM 64 NE2 GLN A 755 -12.304 -3.216 14.050 1.00 0.00 N ATOM 0 H GLN A 755 -8.835 -0.910 17.339 1.00 0.00 H new ATOM 0 HA GLN A 755 -8.023 -1.070 14.504 1.00 0.00 H new ATOM 0 HB2 GLN A 755 -10.616 -1.768 15.767 1.00 0.00 H new ATOM 0 HB3 GLN A 755 -10.731 -0.679 14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 755 -9.997 -2.255 12.887 1.00 0.00 H new ATOM 0 HG3 GLN A 755 -8.994 -3.085 14.060 1.00 0.00 H new ATOM 0 HE21 GLN A 755 -12.491 -2.229 13.872 1.00 0.00 H new ATOM 0 HE22 GLN A 755 -13.078 -3.867 14.180 1.00 0.00 H new ATOM 73 N ALA A 756 -8.042 1.333 16.119 1.00 0.00 N ATOM 74 CA ALA A 756 -8.076 2.774 16.362 1.00 0.00 C ATOM 75 C ALA A 756 -9.374 3.164 17.062 1.00 0.00 C ATOM 76 O ALA A 756 -9.457 3.140 18.291 1.00 0.00 O ATOM 77 CB ALA A 756 -7.889 3.557 15.064 1.00 0.00 C ATOM 0 H ALA A 756 -7.299 0.849 16.623 1.00 0.00 H new ATOM 0 HA ALA A 756 -7.245 3.030 17.019 1.00 0.00 H new ATOM 0 HB1 ALA A 756 -7.919 4.626 15.276 1.00 0.00 H new ATOM 0 HB2 ALA A 756 -6.927 3.302 14.621 1.00 0.00 H new ATOM 0 HB3 ALA A 756 -8.688 3.303 14.368 1.00 0.00 H new ATOM 83 N ALA A 757 -10.385 3.511 16.281 1.00 0.00 N ATOM 84 CA ALA A 757 -11.705 3.807 16.813 1.00 0.00 C ATOM 85 C ALA A 757 -12.771 3.355 15.825 1.00 0.00 C ATOM 86 O ALA A 757 -13.887 3.874 15.803 1.00 0.00 O ATOM 87 CB ALA A 757 -11.836 5.294 17.112 1.00 0.00 C ATOM 0 H ALA A 757 -10.314 3.595 15.267 1.00 0.00 H new ATOM 0 HA ALA A 757 -11.844 3.263 17.748 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -12.830 5.499 17.510 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -11.084 5.585 17.846 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -11.687 5.864 16.195 1.00 0.00 H new ATOM 93 N THR A 758 -12.414 2.373 15.009 1.00 0.00 N ATOM 94 CA THR A 758 -13.297 1.895 13.959 1.00 0.00 C ATOM 95 C THR A 758 -13.770 0.469 14.222 1.00 0.00 C ATOM 96 O THR A 758 -13.093 -0.498 13.871 1.00 0.00 O ATOM 97 CB THR A 758 -12.606 1.950 12.588 1.00 0.00 C ATOM 98 OG1 THR A 758 -11.288 2.506 12.721 1.00 0.00 O ATOM 99 CG2 THR A 758 -13.421 2.783 11.615 1.00 0.00 C ATOM 0 H THR A 758 -11.516 1.892 15.056 1.00 0.00 H new ATOM 0 HA THR A 758 -14.164 2.556 13.956 1.00 0.00 H new ATOM 0 HB THR A 758 -12.528 0.935 12.200 1.00 0.00 H new ATOM 0 HG1 THR A 758 -10.749 1.934 13.306 1.00 0.00 H new ATOM 0 HG21 THR A 758 -12.917 2.811 10.649 1.00 0.00 H new ATOM 0 HG22 THR A 758 -14.409 2.339 11.496 1.00 0.00 H new ATOM 0 HG23 THR A 758 -13.523 3.797 12.001 1.00 0.00 H new ATOM 107 N GLU A 759 -14.930 0.349 14.849 1.00 0.00 N ATOM 108 CA GLU A 759 -15.531 -0.953 15.099 1.00 0.00 C ATOM 109 C GLU A 759 -16.649 -1.222 14.100 1.00 0.00 C ATOM 110 O GLU A 759 -17.108 -2.355 13.949 1.00 0.00 O ATOM 111 CB GLU A 759 -16.079 -1.015 16.521 1.00 0.00 C ATOM 112 CG GLU A 759 -15.633 -2.239 17.295 1.00 0.00 C ATOM 113 CD GLU A 759 -15.441 -1.949 18.765 1.00 0.00 C ATOM 114 OE1 GLU A 759 -16.238 -1.170 19.332 1.00 0.00 O ATOM 115 OE2 GLU A 759 -14.489 -2.486 19.363 1.00 0.00 O ATOM 0 H GLU A 759 -15.475 1.139 15.195 1.00 0.00 H new ATOM 0 HA GLU A 759 -14.763 -1.717 14.981 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -15.766 -0.121 17.061 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -17.168 -0.998 16.482 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -16.373 -3.031 17.177 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -14.698 -2.611 16.875 1.00 0.00 H new ATOM 122 N ASP A 760 -17.081 -0.174 13.417 1.00 0.00 N ATOM 123 CA ASP A 760 -18.158 -0.293 12.447 1.00 0.00 C ATOM 124 C ASP A 760 -17.782 0.398 11.146 1.00 0.00 C ATOM 125 O ASP A 760 -16.779 1.112 11.083 1.00 0.00 O ATOM 126 CB ASP A 760 -19.449 0.305 13.004 1.00 0.00 C ATOM 127 CG ASP A 760 -20.683 -0.232 12.307 1.00 0.00 C ATOM 128 OD1 ASP A 760 -20.560 -1.204 11.533 1.00 0.00 O ATOM 129 OD2 ASP A 760 -21.782 0.314 12.532 1.00 0.00 O ATOM 0 H ASP A 760 -16.703 0.768 13.516 1.00 0.00 H new ATOM 0 HA ASP A 760 -18.321 -1.352 12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 760 -19.515 0.090 14.071 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -19.419 1.389 12.899 1.00 0.00 H new ATOM 134 N GLY A 761 -18.595 0.190 10.121 1.00 0.00 N ATOM 135 CA GLY A 761 -18.310 0.747 8.820 1.00 0.00 C ATOM 136 C GLY A 761 -17.450 -0.181 7.993 1.00 0.00 C ATOM 137 O GLY A 761 -16.243 -0.264 8.204 1.00 0.00 O ATOM 0 H GLY A 761 -19.453 -0.359 10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 761 -19.245 0.942 8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 761 -17.804 1.705 8.937 1.00 0.00 H new ATOM 141 N GLN A 762 -18.073 -0.884 7.055 1.00 0.00 N ATOM 142 CA GLN A 762 -17.365 -1.846 6.212 1.00 0.00 C ATOM 143 C GLN A 762 -16.274 -1.151 5.405 1.00 0.00 C ATOM 144 O GLN A 762 -15.189 -1.701 5.199 1.00 0.00 O ATOM 145 CB GLN A 762 -18.335 -2.560 5.263 1.00 0.00 C ATOM 146 CG GLN A 762 -19.745 -2.718 5.815 1.00 0.00 C ATOM 147 CD GLN A 762 -20.742 -1.786 5.150 1.00 0.00 C ATOM 148 OE1 GLN A 762 -20.394 -1.022 4.249 1.00 0.00 O ATOM 149 NE2 GLN A 762 -21.986 -1.837 5.595 1.00 0.00 N ATOM 0 H GLN A 762 -19.071 -0.807 6.857 1.00 0.00 H new ATOM 0 HA GLN A 762 -16.906 -2.588 6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 762 -18.384 -2.005 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 762 -17.936 -3.547 5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 762 -20.071 -3.749 5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 762 -19.734 -2.526 6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 762 -22.234 -2.484 6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 762 -22.698 -1.229 5.190 1.00 0.00 H new ATOM 158 N LEU A 763 -16.571 0.066 4.964 1.00 0.00 N ATOM 159 CA LEU A 763 -15.631 0.861 4.187 1.00 0.00 C ATOM 160 C LEU A 763 -14.357 1.117 4.985 1.00 0.00 C ATOM 161 O LEU A 763 -13.251 0.815 4.533 1.00 0.00 O ATOM 162 CB LEU A 763 -16.272 2.197 3.792 1.00 0.00 C ATOM 163 CG LEU A 763 -16.646 2.344 2.315 1.00 0.00 C ATOM 164 CD1 LEU A 763 -15.399 2.499 1.460 1.00 0.00 C ATOM 165 CD2 LEU A 763 -17.475 1.155 1.846 1.00 0.00 C ATOM 0 H LEU A 763 -17.465 0.526 5.134 1.00 0.00 H new ATOM 0 HA LEU A 763 -15.374 0.305 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -17.172 2.338 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -15.584 3.001 4.055 1.00 0.00 H new ATOM 0 HG LEU A 763 -17.251 3.244 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -15.686 2.602 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.850 3.386 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -14.766 1.620 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -17.729 1.281 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -16.900 0.238 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -18.390 1.094 2.435 1.00 0.00 H new ATOM 177 N LEU A 764 -14.524 1.655 6.184 1.00 0.00 N ATOM 178 CA LEU A 764 -13.393 2.014 7.026 1.00 0.00 C ATOM 179 C LEU A 764 -12.722 0.778 7.622 1.00 0.00 C ATOM 180 O LEU A 764 -11.512 0.768 7.837 1.00 0.00 O ATOM 181 CB LEU A 764 -13.845 2.962 8.138 1.00 0.00 C ATOM 182 CG LEU A 764 -13.274 4.378 8.049 1.00 0.00 C ATOM 183 CD1 LEU A 764 -14.089 5.336 8.903 1.00 0.00 C ATOM 184 CD2 LEU A 764 -11.814 4.389 8.474 1.00 0.00 C ATOM 0 H LEU A 764 -15.435 1.853 6.597 1.00 0.00 H new ATOM 0 HA LEU A 764 -12.658 2.520 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 764 -14.933 3.023 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 764 -13.563 2.532 9.099 1.00 0.00 H new ATOM 0 HG LEU A 764 -13.332 4.710 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 764 -13.668 6.339 8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 764 -15.121 5.348 8.552 1.00 0.00 H new ATOM 0 HD13 LEU A 764 -14.063 5.009 9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 764 -11.423 5.404 8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 764 -11.732 4.038 9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 764 -11.240 3.733 7.820 1.00 0.00 H new ATOM 196 N ARG A 765 -13.504 -0.262 7.883 1.00 0.00 N ATOM 197 CA ARG A 765 -12.967 -1.494 8.449 1.00 0.00 C ATOM 198 C ARG A 765 -12.021 -2.177 7.466 1.00 0.00 C ATOM 199 O ARG A 765 -10.898 -2.537 7.820 1.00 0.00 O ATOM 200 CB ARG A 765 -14.099 -2.452 8.833 1.00 0.00 C ATOM 201 CG ARG A 765 -13.682 -3.516 9.836 1.00 0.00 C ATOM 202 CD ARG A 765 -14.772 -3.771 10.866 1.00 0.00 C ATOM 203 NE ARG A 765 -15.928 -4.458 10.288 1.00 0.00 N ATOM 204 CZ ARG A 765 -16.899 -5.016 11.009 1.00 0.00 C ATOM 205 NH1 ARG A 765 -16.821 -5.039 12.333 1.00 0.00 N ATOM 206 NH2 ARG A 765 -17.942 -5.566 10.401 1.00 0.00 N ATOM 0 H ARG A 765 -14.510 -0.278 7.713 1.00 0.00 H new ATOM 0 HA ARG A 765 -12.407 -1.232 9.347 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -14.926 -1.876 9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -14.472 -2.940 7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -13.453 -4.443 9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -12.769 -3.202 10.342 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -14.366 -4.369 11.682 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -15.093 -2.822 11.296 1.00 0.00 H new ATOM 0 HE ARG A 765 -15.994 -4.513 9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -16.015 -4.628 12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -17.567 -5.468 12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -18.000 -5.561 9.383 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -18.686 -5.994 10.952 1.00 0.00 H new ATOM 220 N GLY A 766 -12.471 -2.342 6.228 1.00 0.00 N ATOM 221 CA GLY A 766 -11.657 -3.009 5.232 1.00 0.00 C ATOM 222 C GLY A 766 -10.545 -2.129 4.707 1.00 0.00 C ATOM 223 O GLY A 766 -9.366 -2.472 4.823 1.00 0.00 O ATOM 0 H GLY A 766 -13.383 -2.026 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -11.227 -3.912 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.290 -3.323 4.402 1.00 0.00 H new ATOM 227 N VAL A 767 -10.915 -0.984 4.148 1.00 0.00 N ATOM 228 CA VAL A 767 -9.952 -0.103 3.504 1.00 0.00 C ATOM 229 C VAL A 767 -9.071 0.602 4.529 1.00 0.00 C ATOM 230 O VAL A 767 -7.868 0.733 4.333 1.00 0.00 O ATOM 231 CB VAL A 767 -10.651 0.950 2.618 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.637 1.695 1.766 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.708 0.300 1.739 1.00 0.00 C ATOM 0 H VAL A 767 -11.877 -0.644 4.128 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.325 -0.733 2.872 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.144 1.668 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.151 2.432 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.919 2.200 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.112 0.988 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.187 1.061 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.239 -0.444 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.457 -0.183 2.367 1.00 0.00 H new ATOM 243 N GLY A 768 -9.671 1.036 5.630 1.00 0.00 N ATOM 244 CA GLY A 768 -8.926 1.757 6.651 1.00 0.00 C ATOM 245 C GLY A 768 -7.818 0.922 7.262 1.00 0.00 C ATOM 246 O GLY A 768 -6.681 1.382 7.387 1.00 0.00 O ATOM 0 H GLY A 768 -10.661 0.903 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.498 2.659 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.610 2.077 7.437 1.00 0.00 H new ATOM 250 N ALA A 769 -8.145 -0.310 7.632 1.00 0.00 N ATOM 251 CA ALA A 769 -7.166 -1.214 8.226 1.00 0.00 C ATOM 252 C ALA A 769 -6.088 -1.587 7.216 1.00 0.00 C ATOM 253 O ALA A 769 -4.909 -1.695 7.562 1.00 0.00 O ATOM 254 CB ALA A 769 -7.850 -2.464 8.756 1.00 0.00 C ATOM 0 H ALA A 769 -9.079 -0.706 7.532 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.689 -0.698 9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -7.105 -3.128 9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.581 -2.185 9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.355 -2.977 7.938 1.00 0.00 H new ATOM 260 N ALA A 770 -6.499 -1.769 5.965 1.00 0.00 N ATOM 261 CA ALA A 770 -5.574 -2.119 4.896 1.00 0.00 C ATOM 262 C ALA A 770 -4.645 -0.952 4.586 1.00 0.00 C ATOM 263 O ALA A 770 -3.448 -1.136 4.365 1.00 0.00 O ATOM 264 CB ALA A 770 -6.346 -2.538 3.653 1.00 0.00 C ATOM 0 H ALA A 770 -7.470 -1.679 5.667 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.962 -2.959 5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.645 -2.798 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.968 -3.403 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.979 -1.714 3.323 1.00 0.00 H new ATOM 270 N ALA A 771 -5.207 0.252 4.583 1.00 0.00 N ATOM 271 CA ALA A 771 -4.439 1.463 4.340 1.00 0.00 C ATOM 272 C ALA A 771 -3.387 1.664 5.427 1.00 0.00 C ATOM 273 O ALA A 771 -2.226 1.938 5.133 1.00 0.00 O ATOM 274 CB ALA A 771 -5.363 2.668 4.265 1.00 0.00 C ATOM 0 H ALA A 771 -6.201 0.413 4.748 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.925 1.357 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.774 3.567 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.076 2.530 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.902 2.772 5.206 1.00 0.00 H new ATOM 280 N THR A 772 -3.803 1.498 6.681 1.00 0.00 N ATOM 281 CA THR A 772 -2.901 1.656 7.821 1.00 0.00 C ATOM 282 C THR A 772 -1.750 0.644 7.761 1.00 0.00 C ATOM 283 O THR A 772 -0.647 0.907 8.253 1.00 0.00 O ATOM 284 CB THR A 772 -3.654 1.509 9.162 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.850 2.308 9.150 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.776 1.937 10.331 1.00 0.00 C ATOM 0 H THR A 772 -4.760 1.254 6.934 1.00 0.00 H new ATOM 0 HA THR A 772 -2.488 2.663 7.764 1.00 0.00 H new ATOM 0 HB THR A 772 -3.916 0.458 9.285 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.536 1.862 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.330 1.824 11.263 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.882 1.314 10.362 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.486 2.980 10.206 1.00 0.00 H new ATOM 294 N ALA A 773 -2.007 -0.512 7.157 1.00 0.00 N ATOM 295 CA ALA A 773 -0.975 -1.524 6.981 1.00 0.00 C ATOM 296 C ALA A 773 0.121 -1.012 6.051 1.00 0.00 C ATOM 297 O ALA A 773 1.308 -1.238 6.290 1.00 0.00 O ATOM 298 CB ALA A 773 -1.574 -2.816 6.443 1.00 0.00 C ATOM 0 H ALA A 773 -2.920 -0.770 6.782 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.531 -1.734 7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.786 -3.559 6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.319 -3.191 7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.047 -2.624 5.480 1.00 0.00 H new ATOM 304 N VAL A 774 -0.287 -0.304 5.002 1.00 0.00 N ATOM 305 CA VAL A 774 0.657 0.293 4.064 1.00 0.00 C ATOM 306 C VAL A 774 1.478 1.373 4.755 1.00 0.00 C ATOM 307 O VAL A 774 2.694 1.448 4.578 1.00 0.00 O ATOM 308 CB VAL A 774 -0.063 0.901 2.841 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.938 1.469 1.846 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.946 -0.137 2.175 1.00 0.00 C ATOM 0 H VAL A 774 -1.267 -0.130 4.780 1.00 0.00 H new ATOM 0 HA VAL A 774 1.315 -0.502 3.715 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.692 1.719 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.405 1.891 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.527 2.249 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.600 0.674 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.446 0.308 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.335 -0.977 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.693 -0.490 2.886 1.00 0.00 H new ATOM 320 N THR A 775 0.804 2.195 5.555 1.00 0.00 N ATOM 321 CA THR A 775 1.465 3.238 6.326 1.00 0.00 C ATOM 322 C THR A 775 2.586 2.656 7.186 1.00 0.00 C ATOM 323 O THR A 775 3.699 3.186 7.225 1.00 0.00 O ATOM 324 CB THR A 775 0.456 3.965 7.234 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.836 3.972 6.614 1.00 0.00 O ATOM 326 CG2 THR A 775 0.899 5.392 7.512 1.00 0.00 C ATOM 0 H THR A 775 -0.207 2.156 5.685 1.00 0.00 H new ATOM 0 HA THR A 775 1.892 3.948 5.618 1.00 0.00 H new ATOM 0 HB THR A 775 0.405 3.432 8.183 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.435 4.566 7.113 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.168 5.881 8.155 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.869 5.382 8.008 1.00 0.00 H new ATOM 0 HG23 THR A 775 0.978 5.938 6.572 1.00 0.00 H new ATOM 334 N GLN A 776 2.290 1.547 7.852 1.00 0.00 N ATOM 335 CA GLN A 776 3.256 0.894 8.722 1.00 0.00 C ATOM 336 C GLN A 776 4.394 0.279 7.914 1.00 0.00 C ATOM 337 O GLN A 776 5.563 0.430 8.266 1.00 0.00 O ATOM 338 CB GLN A 776 2.570 -0.178 9.567 1.00 0.00 C ATOM 339 CG GLN A 776 2.106 0.329 10.922 1.00 0.00 C ATOM 340 CD GLN A 776 0.975 -0.496 11.502 1.00 0.00 C ATOM 341 OE1 GLN A 776 1.170 -1.260 12.448 1.00 0.00 O ATOM 342 NE2 GLN A 776 -0.213 -0.353 10.939 1.00 0.00 N ATOM 0 H GLN A 776 1.384 1.080 7.805 1.00 0.00 H new ATOM 0 HA GLN A 776 3.679 1.650 9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.712 -0.568 9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 776 3.259 -1.010 9.715 1.00 0.00 H new ATOM 0 HG2 GLN A 776 2.947 0.322 11.615 1.00 0.00 H new ATOM 0 HG3 GLN A 776 1.781 1.365 10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -0.333 0.291 10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -1.010 -0.886 11.287 1.00 0.00 H new ATOM 351 N ALA A 777 4.047 -0.404 6.825 1.00 0.00 N ATOM 352 CA ALA A 777 5.041 -1.057 5.979 1.00 0.00 C ATOM 353 C ALA A 777 5.987 -0.038 5.350 1.00 0.00 C ATOM 354 O ALA A 777 7.196 -0.270 5.263 1.00 0.00 O ATOM 355 CB ALA A 777 4.359 -1.885 4.899 1.00 0.00 C ATOM 0 H ALA A 777 3.084 -0.519 6.508 1.00 0.00 H new ATOM 0 HA ALA A 777 5.633 -1.721 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.115 -2.365 4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.735 -2.647 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.739 -1.236 4.281 1.00 0.00 H new ATOM 361 N LEU A 778 5.435 1.091 4.919 1.00 0.00 N ATOM 362 CA LEU A 778 6.235 2.159 4.334 1.00 0.00 C ATOM 363 C LEU A 778 7.209 2.716 5.361 1.00 0.00 C ATOM 364 O LEU A 778 8.391 2.908 5.070 1.00 0.00 O ATOM 365 CB LEU A 778 5.339 3.281 3.810 1.00 0.00 C ATOM 366 CG LEU A 778 6.009 4.209 2.801 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.543 3.883 1.397 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.729 5.666 3.140 1.00 0.00 C ATOM 0 H LEU A 778 4.436 1.290 4.964 1.00 0.00 H new ATOM 0 HA LEU A 778 6.798 1.741 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.457 2.838 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.991 3.875 4.655 1.00 0.00 H new ATOM 0 HG LEU A 778 7.087 4.054 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.029 4.553 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 778 5.802 2.852 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.462 4.010 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 778 6.216 6.310 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.654 5.844 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 778 6.116 5.889 4.134 1.00 0.00 H new ATOM 380 N ASN A 779 6.705 2.961 6.564 1.00 0.00 N ATOM 381 CA ASN A 779 7.528 3.477 7.652 1.00 0.00 C ATOM 382 C ASN A 779 8.651 2.503 7.975 1.00 0.00 C ATOM 383 O ASN A 779 9.792 2.905 8.182 1.00 0.00 O ATOM 384 CB ASN A 779 6.677 3.723 8.900 1.00 0.00 C ATOM 385 CG ASN A 779 6.418 5.196 9.149 1.00 0.00 C ATOM 386 OD1 ASN A 779 7.303 6.038 8.977 1.00 0.00 O ATOM 387 ND2 ASN A 779 5.204 5.515 9.566 1.00 0.00 N ATOM 0 H ASN A 779 5.727 2.810 6.812 1.00 0.00 H new ATOM 0 HA ASN A 779 7.962 4.424 7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.725 3.203 8.794 1.00 0.00 H new ATOM 0 HB3 ASN A 779 7.179 3.295 9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.970 6.489 9.758 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.501 4.787 9.695 1.00 0.00 H new ATOM 394 N GLU A 780 8.321 1.218 7.985 1.00 0.00 N ATOM 395 CA GLU A 780 9.292 0.170 8.276 1.00 0.00 C ATOM 396 C GLU A 780 10.450 0.212 7.293 1.00 0.00 C ATOM 397 O GLU A 780 11.617 0.175 7.685 1.00 0.00 O ATOM 398 CB GLU A 780 8.623 -1.201 8.196 1.00 0.00 C ATOM 399 CG GLU A 780 7.818 -1.556 9.430 1.00 0.00 C ATOM 400 CD GLU A 780 8.512 -2.581 10.299 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.732 -2.787 10.133 1.00 0.00 O ATOM 402 OE2 GLU A 780 7.834 -3.187 11.154 1.00 0.00 O ATOM 0 H GLU A 780 7.380 0.874 7.793 1.00 0.00 H new ATOM 0 HA GLU A 780 9.675 0.339 9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.968 -1.226 7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 780 9.389 -1.961 8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 780 7.636 -0.653 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 780 6.844 -1.941 9.126 1.00 0.00 H new ATOM 409 N LEU A 781 10.117 0.283 6.014 1.00 0.00 N ATOM 410 CA LEU A 781 11.121 0.322 4.966 1.00 0.00 C ATOM 411 C LEU A 781 11.935 1.606 5.051 1.00 0.00 C ATOM 412 O LEU A 781 13.158 1.573 4.967 1.00 0.00 O ATOM 413 CB LEU A 781 10.456 0.215 3.598 1.00 0.00 C ATOM 414 CG LEU A 781 11.421 0.145 2.418 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.472 -1.267 1.857 1.00 0.00 C ATOM 416 CD2 LEU A 781 11.012 1.143 1.345 1.00 0.00 C ATOM 0 H LEU A 781 9.155 0.315 5.677 1.00 0.00 H new ATOM 0 HA LEU A 781 11.794 -0.525 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.825 -0.674 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.799 1.074 3.461 1.00 0.00 H new ATOM 0 HG LEU A 781 12.421 0.406 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.165 -1.300 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.810 -1.955 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.478 -1.561 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.708 1.083 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 781 10.006 0.911 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 781 11.029 2.151 1.760 1.00 0.00 H new ATOM 428 N LEU A 782 11.252 2.731 5.235 1.00 0.00 N ATOM 429 CA LEU A 782 11.920 4.024 5.342 1.00 0.00 C ATOM 430 C LEU A 782 12.891 4.032 6.517 1.00 0.00 C ATOM 431 O LEU A 782 14.016 4.513 6.400 1.00 0.00 O ATOM 432 CB LEU A 782 10.893 5.147 5.500 1.00 0.00 C ATOM 433 CG LEU A 782 10.343 5.707 4.188 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.168 6.633 4.457 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.434 6.436 3.418 1.00 0.00 C ATOM 0 H LEU A 782 10.236 2.774 5.313 1.00 0.00 H new ATOM 0 HA LEU A 782 12.484 4.192 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 782 10.060 4.776 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.350 5.961 6.062 1.00 0.00 H new ATOM 0 HG LEU A 782 9.993 4.874 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.788 7.023 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.378 6.080 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.494 7.461 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.023 6.827 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.816 7.260 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.245 5.744 3.194 1.00 0.00 H new ATOM 447 N GLN A 783 12.446 3.487 7.641 1.00 0.00 N ATOM 448 CA GLN A 783 13.283 3.353 8.828 1.00 0.00 C ATOM 449 C GLN A 783 14.483 2.457 8.528 1.00 0.00 C ATOM 450 O GLN A 783 15.612 2.743 8.922 1.00 0.00 O ATOM 451 CB GLN A 783 12.465 2.742 9.971 1.00 0.00 C ATOM 452 CG GLN A 783 11.888 3.750 10.956 1.00 0.00 C ATOM 453 CD GLN A 783 11.149 4.902 10.293 1.00 0.00 C ATOM 454 OE1 GLN A 783 11.760 5.832 9.762 1.00 0.00 O ATOM 455 NE2 GLN A 783 9.827 4.852 10.331 1.00 0.00 N ATOM 0 H GLN A 783 11.499 3.126 7.757 1.00 0.00 H new ATOM 0 HA GLN A 783 13.639 4.341 9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 783 11.646 2.164 9.544 1.00 0.00 H new ATOM 0 HB3 GLN A 783 13.098 2.043 10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 783 11.206 3.234 11.632 1.00 0.00 H new ATOM 0 HG3 GLN A 783 12.697 4.152 11.566 1.00 0.00 H new ATOM 0 HE21 GLN A 783 9.359 4.065 10.780 1.00 0.00 H new ATOM 0 HE22 GLN A 783 9.276 5.601 9.911 1.00 0.00 H new ATOM 464 N HIS A 784 14.212 1.381 7.808 1.00 0.00 N ATOM 465 CA HIS A 784 15.217 0.382 7.469 1.00 0.00 C ATOM 466 C HIS A 784 16.261 0.939 6.492 1.00 0.00 C ATOM 467 O HIS A 784 17.462 0.726 6.667 1.00 0.00 O ATOM 468 CB HIS A 784 14.507 -0.838 6.874 1.00 0.00 C ATOM 469 CG HIS A 784 15.407 -1.966 6.485 1.00 0.00 C ATOM 470 ND1 HIS A 784 16.335 -2.525 7.333 1.00 0.00 N ATOM 471 CD2 HIS A 784 15.500 -2.647 5.324 1.00 0.00 C ATOM 472 CE1 HIS A 784 16.964 -3.501 6.708 1.00 0.00 C ATOM 473 NE2 HIS A 784 16.478 -3.598 5.485 1.00 0.00 N ATOM 0 H HIS A 784 13.284 1.173 7.439 1.00 0.00 H new ATOM 0 HA HIS A 784 15.756 0.095 8.372 1.00 0.00 H new ATOM 0 HB2 HIS A 784 13.781 -1.206 7.599 1.00 0.00 H new ATOM 0 HB3 HIS A 784 13.947 -0.520 5.995 1.00 0.00 H new ATOM 0 HD1 HIS A 784 16.509 -2.231 8.294 1.00 0.00 H new ATOM 0 HD2 HIS A 784 14.914 -2.476 4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 784 17.746 -4.117 7.127 1.00 0.00 H new ATOM 482 N VAL A 785 15.802 1.651 5.470 1.00 0.00 N ATOM 483 CA VAL A 785 16.691 2.234 4.464 1.00 0.00 C ATOM 484 C VAL A 785 17.460 3.426 5.040 1.00 0.00 C ATOM 485 O VAL A 785 18.527 3.794 4.553 1.00 0.00 O ATOM 486 CB VAL A 785 15.917 2.660 3.191 1.00 0.00 C ATOM 487 CG1 VAL A 785 16.857 3.248 2.146 1.00 0.00 C ATOM 488 CG2 VAL A 785 15.158 1.476 2.603 1.00 0.00 C ATOM 0 H VAL A 785 14.812 1.841 5.313 1.00 0.00 H new ATOM 0 HA VAL A 785 17.404 1.461 4.178 1.00 0.00 H new ATOM 0 HB VAL A 785 15.202 3.430 3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 785 16.285 3.538 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 785 17.357 4.124 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 785 17.602 2.503 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 785 14.621 1.795 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 785 15.862 0.687 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 785 14.447 1.098 3.338 1.00 0.00 H new ATOM 498 N LYS A 786 16.916 4.039 6.076 1.00 0.00 N ATOM 499 CA LYS A 786 17.569 5.176 6.712 1.00 0.00 C ATOM 500 C LYS A 786 18.880 4.774 7.396 1.00 0.00 C ATOM 501 O LYS A 786 19.697 5.633 7.736 1.00 0.00 O ATOM 502 CB LYS A 786 16.633 5.830 7.724 1.00 0.00 C ATOM 503 CG LYS A 786 16.137 7.195 7.285 1.00 0.00 C ATOM 504 CD LYS A 786 15.015 7.693 8.174 1.00 0.00 C ATOM 505 CE LYS A 786 13.685 7.683 7.446 1.00 0.00 C ATOM 506 NZ LYS A 786 12.560 8.022 8.354 1.00 0.00 N ATOM 0 H LYS A 786 16.026 3.772 6.496 1.00 0.00 H new ATOM 0 HA LYS A 786 17.809 5.892 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 786 15.777 5.177 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 786 17.151 5.929 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 786 16.962 7.907 7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 786 15.789 7.142 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 786 14.949 7.067 9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 786 15.239 8.705 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 786 13.716 8.396 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 786 13.516 6.699 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 11.749 8.352 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 12.286 7.178 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 12.857 8.773 9.009 1.00 0.00 H new ATOM 520 N ALA A 787 19.079 3.476 7.600 1.00 0.00 N ATOM 521 CA ALA A 787 20.291 2.991 8.252 1.00 0.00 C ATOM 522 C ALA A 787 21.047 1.987 7.382 1.00 0.00 C ATOM 523 O ALA A 787 22.188 1.635 7.676 1.00 0.00 O ATOM 524 CB ALA A 787 19.947 2.369 9.597 1.00 0.00 C ATOM 0 H ALA A 787 18.422 2.745 7.326 1.00 0.00 H new ATOM 0 HA ALA A 787 20.947 3.847 8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 787 20.858 2.010 10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 787 19.473 3.117 10.233 1.00 0.00 H new ATOM 0 HB3 ALA A 787 19.263 1.534 9.447 1.00 0.00 H new ATOM 530 N HIS A 788 20.408 1.518 6.315 1.00 0.00 N ATOM 531 CA HIS A 788 21.010 0.515 5.434 1.00 0.00 C ATOM 532 C HIS A 788 20.684 0.842 3.985 1.00 0.00 C ATOM 533 O HIS A 788 19.766 1.611 3.729 1.00 0.00 O ATOM 534 CB HIS A 788 20.503 -0.893 5.766 1.00 0.00 C ATOM 535 CG HIS A 788 20.577 -1.254 7.218 1.00 0.00 C ATOM 536 ND1 HIS A 788 21.682 -1.834 7.801 1.00 0.00 N ATOM 537 CD2 HIS A 788 19.671 -1.100 8.209 1.00 0.00 C ATOM 538 CE1 HIS A 788 21.452 -2.015 9.087 1.00 0.00 C ATOM 539 NE2 HIS A 788 20.239 -1.576 9.363 1.00 0.00 N ATOM 0 H HIS A 788 19.473 1.815 6.037 1.00 0.00 H new ATOM 0 HA HIS A 788 22.089 0.536 5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 788 19.468 -0.980 5.435 1.00 0.00 H new ATOM 0 HB3 HIS A 788 21.082 -1.618 5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 788 18.681 -0.679 8.110 1.00 0.00 H new ATOM 0 HE1 HIS A 788 22.141 -2.450 9.796 1.00 0.00 H new ATOM 0 HE2 HIS A 788 19.797 -1.589 10.282 1.00 0.00 H new ATOM 548 N ALA A 789 21.419 0.239 3.048 1.00 0.00 N ATOM 549 CA ALA A 789 21.280 0.544 1.622 1.00 0.00 C ATOM 550 C ALA A 789 21.707 1.985 1.346 1.00 0.00 C ATOM 551 O ALA A 789 22.857 2.234 0.985 1.00 0.00 O ATOM 552 CB ALA A 789 19.859 0.284 1.126 1.00 0.00 C ATOM 0 H ALA A 789 22.123 -0.470 3.254 1.00 0.00 H new ATOM 0 HA ALA A 789 21.939 -0.125 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 789 19.795 0.522 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 789 19.607 -0.765 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 789 19.160 0.910 1.681 1.00 0.00 H new ATOM 558 N THR A 790 20.795 2.929 1.529 1.00 0.00 N ATOM 559 CA THR A 790 21.118 4.340 1.399 1.00 0.00 C ATOM 560 C THR A 790 21.832 4.834 2.655 1.00 0.00 C ATOM 561 O THR A 790 21.214 5.378 3.573 1.00 0.00 O ATOM 562 CB THR A 790 19.850 5.175 1.143 1.00 0.00 C ATOM 563 OG1 THR A 790 18.967 4.443 0.286 1.00 0.00 O ATOM 564 CG2 THR A 790 20.192 6.513 0.502 1.00 0.00 C ATOM 0 H THR A 790 19.822 2.741 1.769 1.00 0.00 H new ATOM 0 HA THR A 790 21.782 4.461 0.543 1.00 0.00 H new ATOM 0 HB THR A 790 19.366 5.371 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 790 18.724 4.998 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 790 19.277 7.080 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 790 20.851 7.076 1.164 1.00 0.00 H new ATOM 0 HG23 THR A 790 20.694 6.342 -0.450 1.00 0.00 H new ATOM 572 N GLY A 791 23.143 4.634 2.681 1.00 0.00 N ATOM 573 CA GLY A 791 23.923 4.929 3.862 1.00 0.00 C ATOM 574 C GLY A 791 24.792 3.753 4.261 1.00 0.00 C ATOM 575 O GLY A 791 25.392 3.747 5.335 1.00 0.00 O ATOM 0 H GLY A 791 23.682 4.269 1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 791 24.551 5.800 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 791 23.256 5.186 4.685 1.00 0.00 H new ATOM 579 N ALA A 792 24.849 2.754 3.387 1.00 0.00 N ATOM 580 CA ALA A 792 25.648 1.559 3.626 1.00 0.00 C ATOM 581 C ALA A 792 26.107 0.949 2.304 1.00 0.00 C ATOM 582 O ALA A 792 27.302 0.736 2.082 1.00 0.00 O ATOM 583 CB ALA A 792 24.857 0.542 4.437 1.00 0.00 C ATOM 0 H ALA A 792 24.346 2.750 2.499 1.00 0.00 H new ATOM 0 HA ALA A 792 26.531 1.844 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 792 25.469 -0.344 4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 792 24.578 0.979 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 792 23.956 0.262 3.890 1.00 0.00 H new ATOM 589 N GLY A 793 25.152 0.693 1.418 1.00 0.00 N ATOM 590 CA GLY A 793 25.462 0.084 0.141 1.00 0.00 C ATOM 591 C GLY A 793 25.442 1.083 -1.000 1.00 0.00 C ATOM 592 O GLY A 793 26.079 2.135 -0.916 1.00 0.00 O ATOM 0 H GLY A 793 24.164 0.898 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 793 26.446 -0.382 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 793 24.744 -0.710 -0.063 1.00 0.00 H new ATOM 596 N PRO A 794 24.701 0.782 -2.083 1.00 0.00 N ATOM 597 CA PRO A 794 24.649 1.637 -3.277 1.00 0.00 C ATOM 598 C PRO A 794 23.897 2.943 -3.041 1.00 0.00 C ATOM 599 O PRO A 794 24.083 3.921 -3.770 1.00 0.00 O ATOM 600 CB PRO A 794 23.915 0.770 -4.303 1.00 0.00 C ATOM 601 CG PRO A 794 23.086 -0.161 -3.489 1.00 0.00 C ATOM 602 CD PRO A 794 23.865 -0.424 -2.230 1.00 0.00 C ATOM 0 HA PRO A 794 25.645 1.947 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 794 23.296 1.377 -4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 794 24.616 0.226 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 794 22.115 0.280 -3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 794 22.896 -1.088 -4.030 1.00 0.00 H new ATOM 0 HD2 PRO A 794 23.207 -0.563 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 794 24.472 -1.325 -2.315 1.00 0.00 H new ATOM 610 N ALA A 795 23.058 2.941 -2.016 1.00 0.00 N ATOM 611 CA ALA A 795 22.287 4.118 -1.621 1.00 0.00 C ATOM 612 C ALA A 795 21.400 4.632 -2.750 1.00 0.00 C ATOM 613 O ALA A 795 21.608 5.733 -3.261 1.00 0.00 O ATOM 614 CB ALA A 795 23.217 5.226 -1.137 1.00 0.00 C ATOM 0 H ALA A 795 22.890 2.123 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 795 21.632 3.814 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 795 22.627 6.095 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 795 23.789 4.872 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 795 23.901 5.503 -1.939 1.00 0.00 H new ATOM 620 N GLY A 796 20.424 3.832 -3.148 1.00 0.00 N ATOM 621 CA GLY A 796 19.430 4.303 -4.089 1.00 0.00 C ATOM 622 C GLY A 796 18.452 5.234 -3.409 1.00 0.00 C ATOM 623 O GLY A 796 18.311 5.200 -2.186 1.00 0.00 O ATOM 0 H GLY A 796 20.302 2.868 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 796 19.919 4.820 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 796 18.896 3.455 -4.517 1.00 0.00 H new ATOM 627 N ARG A 797 17.780 6.071 -4.174 1.00 0.00 N ATOM 628 CA ARG A 797 16.861 7.031 -3.588 1.00 0.00 C ATOM 629 C ARG A 797 15.421 6.733 -3.983 1.00 0.00 C ATOM 630 O ARG A 797 15.051 6.824 -5.156 1.00 0.00 O ATOM 631 CB ARG A 797 17.237 8.452 -4.003 1.00 0.00 C ATOM 632 CG ARG A 797 17.932 9.247 -2.908 1.00 0.00 C ATOM 633 CD ARG A 797 17.758 10.744 -3.114 1.00 0.00 C ATOM 634 NE ARG A 797 16.352 11.109 -3.260 1.00 0.00 N ATOM 635 CZ ARG A 797 15.830 11.663 -4.352 1.00 0.00 C ATOM 636 NH1 ARG A 797 16.615 12.025 -5.361 1.00 0.00 N ATOM 637 NH2 ARG A 797 14.523 11.877 -4.421 1.00 0.00 N ATOM 0 H ARG A 797 17.850 6.108 -5.191 1.00 0.00 H new ATOM 0 HA ARG A 797 16.938 6.946 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 797 17.889 8.405 -4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 797 16.335 8.982 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 797 17.527 8.962 -1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 797 18.994 9.001 -2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 797 18.187 11.280 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 797 18.309 11.056 -4.001 1.00 0.00 H new ATOM 0 HE ARG A 797 15.729 10.928 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 797 17.623 11.879 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 797 16.210 12.449 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 797 13.922 11.617 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 797 14.119 12.301 -5.256 1.00 0.00 H new ATOM 651 N TYR A 798 14.615 6.370 -2.994 1.00 0.00 N ATOM 652 CA TYR A 798 13.209 6.064 -3.216 1.00 0.00 C ATOM 653 C TYR A 798 12.343 6.795 -2.194 1.00 0.00 C ATOM 654 O TYR A 798 11.262 6.329 -1.827 1.00 0.00 O ATOM 655 CB TYR A 798 12.951 4.550 -3.139 1.00 0.00 C ATOM 656 CG TYR A 798 14.151 3.726 -2.719 1.00 0.00 C ATOM 657 CD1 TYR A 798 15.157 3.418 -3.624 1.00 0.00 C ATOM 658 CD2 TYR A 798 14.274 3.256 -1.419 1.00 0.00 C ATOM 659 CE1 TYR A 798 16.253 2.669 -3.247 1.00 0.00 C ATOM 660 CE2 TYR A 798 15.366 2.503 -1.034 1.00 0.00 C ATOM 661 CZ TYR A 798 16.355 2.214 -1.949 1.00 0.00 C ATOM 662 OH TYR A 798 17.443 1.459 -1.564 1.00 0.00 O ATOM 0 H TYR A 798 14.915 6.280 -2.023 1.00 0.00 H new ATOM 0 HA TYR A 798 12.944 6.403 -4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 798 12.138 4.369 -2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 798 12.612 4.202 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 798 15.081 3.771 -4.642 1.00 0.00 H new ATOM 0 HD2 TYR A 798 13.504 3.483 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 798 17.027 2.440 -3.965 1.00 0.00 H new ATOM 0 HE2 TYR A 798 15.444 2.142 -0.019 1.00 0.00 H new ATOM 0 HH TYR A 798 18.124 1.484 -2.268 1.00 0.00 H new ATOM 672 N ASP A 799 12.824 7.949 -1.744 1.00 0.00 N ATOM 673 CA ASP A 799 12.121 8.744 -0.737 1.00 0.00 C ATOM 674 C ASP A 799 10.869 9.390 -1.324 1.00 0.00 C ATOM 675 O ASP A 799 9.873 9.590 -0.627 1.00 0.00 O ATOM 676 CB ASP A 799 13.037 9.825 -0.144 1.00 0.00 C ATOM 677 CG ASP A 799 13.908 10.511 -1.181 1.00 0.00 C ATOM 678 OD1 ASP A 799 13.406 10.838 -2.274 1.00 0.00 O ATOM 679 OD2 ASP A 799 15.108 10.716 -0.911 1.00 0.00 O ATOM 0 H ASP A 799 13.703 8.359 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 799 11.823 8.065 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 799 12.425 10.574 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 799 13.676 9.373 0.615 1.00 0.00 H new ATOM 684 N GLN A 800 10.923 9.719 -2.603 1.00 0.00 N ATOM 685 CA GLN A 800 9.780 10.302 -3.284 1.00 0.00 C ATOM 686 C GLN A 800 8.762 9.222 -3.611 1.00 0.00 C ATOM 687 O GLN A 800 7.556 9.439 -3.507 1.00 0.00 O ATOM 688 CB GLN A 800 10.224 11.009 -4.560 1.00 0.00 C ATOM 689 CG GLN A 800 10.793 12.396 -4.317 1.00 0.00 C ATOM 690 CD GLN A 800 10.144 13.445 -5.192 1.00 0.00 C ATOM 691 OE1 GLN A 800 10.576 13.683 -6.321 1.00 0.00 O ATOM 692 NE2 GLN A 800 9.104 14.081 -4.682 1.00 0.00 N ATOM 0 H GLN A 800 11.747 9.592 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 800 9.318 11.036 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 800 10.976 10.399 -5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 800 9.374 11.087 -5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 800 10.655 12.664 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 800 11.867 12.384 -4.504 1.00 0.00 H new ATOM 0 HE21 GLN A 800 8.778 13.854 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 800 8.628 14.799 -5.228 1.00 0.00 H new ATOM 701 N ALA A 801 9.261 8.054 -3.992 1.00 0.00 N ATOM 702 CA ALA A 801 8.410 6.918 -4.306 1.00 0.00 C ATOM 703 C ALA A 801 7.588 6.509 -3.088 1.00 0.00 C ATOM 704 O ALA A 801 6.381 6.287 -3.186 1.00 0.00 O ATOM 705 CB ALA A 801 9.252 5.752 -4.802 1.00 0.00 C ATOM 0 H ALA A 801 10.259 7.869 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 801 7.720 7.209 -5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.603 4.907 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.794 6.050 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.963 5.462 -4.029 1.00 0.00 H new ATOM 711 N THR A 802 8.248 6.438 -1.936 1.00 0.00 N ATOM 712 CA THR A 802 7.573 6.103 -0.692 1.00 0.00 C ATOM 713 C THR A 802 6.563 7.187 -0.335 1.00 0.00 C ATOM 714 O THR A 802 5.432 6.900 0.063 1.00 0.00 O ATOM 715 CB THR A 802 8.578 5.945 0.464 1.00 0.00 C ATOM 716 OG1 THR A 802 9.672 6.852 0.286 1.00 0.00 O ATOM 717 CG2 THR A 802 9.106 4.522 0.536 1.00 0.00 C ATOM 0 H THR A 802 9.249 6.608 -1.841 1.00 0.00 H new ATOM 0 HA THR A 802 7.059 5.153 -0.839 1.00 0.00 H new ATOM 0 HB THR A 802 8.061 6.171 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.344 6.443 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.814 4.438 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.276 3.834 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.607 4.272 -0.399 1.00 0.00 H new ATOM 725 N ASP A 803 6.982 8.437 -0.507 1.00 0.00 N ATOM 726 CA ASP A 803 6.124 9.584 -0.241 1.00 0.00 C ATOM 727 C ASP A 803 4.866 9.536 -1.102 1.00 0.00 C ATOM 728 O ASP A 803 3.763 9.758 -0.607 1.00 0.00 O ATOM 729 CB ASP A 803 6.883 10.885 -0.503 1.00 0.00 C ATOM 730 CG ASP A 803 5.977 12.099 -0.477 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.306 12.328 0.550 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.937 12.831 -1.487 1.00 0.00 O ATOM 0 H ASP A 803 7.918 8.681 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 803 5.827 9.547 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.665 11.003 0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.377 10.825 -1.473 1.00 0.00 H new ATOM 737 N THR A 804 5.034 9.221 -2.385 1.00 0.00 N ATOM 738 CA THR A 804 3.909 9.127 -3.304 1.00 0.00 C ATOM 739 C THR A 804 2.909 8.078 -2.821 1.00 0.00 C ATOM 740 O THR A 804 1.703 8.324 -2.796 1.00 0.00 O ATOM 741 CB THR A 804 4.378 8.773 -4.733 1.00 0.00 C ATOM 742 OG1 THR A 804 5.315 9.754 -5.199 1.00 0.00 O ATOM 743 CG2 THR A 804 3.200 8.701 -5.694 1.00 0.00 C ATOM 0 H THR A 804 5.941 9.027 -2.809 1.00 0.00 H new ATOM 0 HA THR A 804 3.425 10.103 -3.330 1.00 0.00 H new ATOM 0 HB THR A 804 4.857 7.795 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.142 9.690 -4.678 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.559 8.450 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.502 7.935 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.694 9.666 -5.722 1.00 0.00 H new ATOM 751 N ILE A 805 3.427 6.924 -2.415 1.00 0.00 N ATOM 752 CA ILE A 805 2.592 5.850 -1.885 1.00 0.00 C ATOM 753 C ILE A 805 1.781 6.337 -0.695 1.00 0.00 C ATOM 754 O ILE A 805 0.552 6.290 -0.714 1.00 0.00 O ATOM 755 CB ILE A 805 3.446 4.642 -1.455 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.995 3.923 -2.679 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.643 3.678 -0.590 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.250 3.150 -2.388 1.00 0.00 C ATOM 0 H ILE A 805 4.423 6.707 -2.443 1.00 0.00 H new ATOM 0 HA ILE A 805 1.916 5.540 -2.682 1.00 0.00 H new ATOM 0 HB ILE A 805 4.279 5.013 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.236 3.242 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 805 4.197 4.653 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.273 2.836 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.297 4.195 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.784 3.313 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.594 2.659 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.022 3.831 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.046 2.399 -1.625 1.00 0.00 H new ATOM 770 N LEU A 806 2.481 6.823 0.326 1.00 0.00 N ATOM 771 CA LEU A 806 1.839 7.287 1.554 1.00 0.00 C ATOM 772 C LEU A 806 0.864 8.429 1.284 1.00 0.00 C ATOM 773 O LEU A 806 -0.155 8.560 1.962 1.00 0.00 O ATOM 774 CB LEU A 806 2.889 7.730 2.569 1.00 0.00 C ATOM 775 CG LEU A 806 2.513 7.487 4.030 1.00 0.00 C ATOM 776 CD1 LEU A 806 2.334 6.001 4.291 1.00 0.00 C ATOM 777 CD2 LEU A 806 3.566 8.074 4.961 1.00 0.00 C ATOM 0 H LEU A 806 3.498 6.906 0.328 1.00 0.00 H new ATOM 0 HA LEU A 806 1.273 6.450 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.822 7.207 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 806 3.081 8.794 2.430 1.00 0.00 H new ATOM 0 HG LEU A 806 1.566 7.988 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 806 2.066 5.845 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 806 1.542 5.612 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.265 5.479 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 806 3.279 7.890 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 806 4.530 7.605 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 806 3.644 9.148 4.791 1.00 0.00 H new ATOM 789 N THR A 807 1.182 9.260 0.302 1.00 0.00 N ATOM 790 CA THR A 807 0.281 10.330 -0.102 1.00 0.00 C ATOM 791 C THR A 807 -1.009 9.746 -0.673 1.00 0.00 C ATOM 792 O THR A 807 -2.105 10.208 -0.359 1.00 0.00 O ATOM 793 CB THR A 807 0.937 11.258 -1.146 1.00 0.00 C ATOM 794 OG1 THR A 807 2.143 11.820 -0.611 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.007 12.377 -1.558 1.00 0.00 C ATOM 0 H THR A 807 2.053 9.215 -0.228 1.00 0.00 H new ATOM 0 HA THR A 807 0.053 10.922 0.784 1.00 0.00 H new ATOM 0 HB THR A 807 1.169 10.662 -2.028 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.899 11.233 -0.821 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.483 13.014 -2.294 1.00 0.00 H new ATOM 0 HG22 THR A 807 -0.911 11.949 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.271 12.971 -0.683 1.00 0.00 H new ATOM 803 N VAL A 808 -0.863 8.708 -1.491 1.00 0.00 N ATOM 804 CA VAL A 808 -2.003 8.033 -2.091 1.00 0.00 C ATOM 805 C VAL A 808 -2.871 7.373 -1.017 1.00 0.00 C ATOM 806 O VAL A 808 -4.098 7.479 -1.048 1.00 0.00 O ATOM 807 CB VAL A 808 -1.545 6.975 -3.120 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.660 5.991 -3.428 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.065 7.649 -4.396 1.00 0.00 C ATOM 0 H VAL A 808 0.041 8.316 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.596 8.786 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.716 6.418 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.309 5.259 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.957 5.480 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.516 6.527 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.746 6.890 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.878 8.234 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.227 8.307 -4.167 1.00 0.00 H new ATOM 819 N THR A 809 -2.230 6.710 -0.055 1.00 0.00 N ATOM 820 CA THR A 809 -2.955 6.073 1.038 1.00 0.00 C ATOM 821 C THR A 809 -3.707 7.118 1.852 1.00 0.00 C ATOM 822 O THR A 809 -4.856 6.909 2.252 1.00 0.00 O ATOM 823 CB THR A 809 -2.010 5.281 1.963 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.715 5.174 1.361 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.560 3.890 2.232 1.00 0.00 C ATOM 0 H THR A 809 -1.217 6.602 -0.012 1.00 0.00 H new ATOM 0 HA THR A 809 -3.664 5.373 0.596 1.00 0.00 H new ATOM 0 HB THR A 809 -1.931 5.815 2.910 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.119 4.671 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.877 3.349 2.887 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.535 3.971 2.712 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.663 3.351 1.290 1.00 0.00 H new ATOM 833 N GLU A 810 -3.055 8.253 2.068 1.00 0.00 N ATOM 834 CA GLU A 810 -3.668 9.376 2.755 1.00 0.00 C ATOM 835 C GLU A 810 -4.865 9.895 1.962 1.00 0.00 C ATOM 836 O GLU A 810 -5.914 10.186 2.530 1.00 0.00 O ATOM 837 CB GLU A 810 -2.638 10.490 2.962 1.00 0.00 C ATOM 838 CG GLU A 810 -3.004 11.453 4.076 1.00 0.00 C ATOM 839 CD GLU A 810 -2.546 10.967 5.434 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.787 9.977 5.493 1.00 0.00 O ATOM 841 OE2 GLU A 810 -2.935 11.574 6.452 1.00 0.00 O ATOM 0 H GLU A 810 -2.093 8.418 1.773 1.00 0.00 H new ATOM 0 HA GLU A 810 -4.022 9.041 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.669 10.042 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -2.526 11.048 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.558 12.426 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.085 11.595 4.089 1.00 0.00 H new ATOM 848 N ASN A 811 -4.703 9.983 0.644 1.00 0.00 N ATOM 849 CA ASN A 811 -5.781 10.429 -0.239 1.00 0.00 C ATOM 850 C ASN A 811 -6.991 9.515 -0.107 1.00 0.00 C ATOM 851 O ASN A 811 -8.129 9.979 -0.065 1.00 0.00 O ATOM 852 CB ASN A 811 -5.326 10.446 -1.703 1.00 0.00 C ATOM 853 CG ASN A 811 -4.339 11.555 -2.009 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.202 12.510 -1.249 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.639 11.433 -3.126 1.00 0.00 N ATOM 0 H ASN A 811 -3.834 9.751 0.162 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.051 11.442 0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.871 9.486 -1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.199 10.557 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -2.957 12.147 -3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.782 10.625 -3.731 1.00 0.00 H new ATOM 862 N ILE A 812 -6.738 8.212 -0.045 1.00 0.00 N ATOM 863 CA ILE A 812 -7.801 7.229 0.112 1.00 0.00 C ATOM 864 C ILE A 812 -8.537 7.437 1.436 1.00 0.00 C ATOM 865 O ILE A 812 -9.760 7.318 1.499 1.00 0.00 O ATOM 866 CB ILE A 812 -7.249 5.785 0.026 1.00 0.00 C ATOM 867 CG1 ILE A 812 -7.013 5.397 -1.435 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.200 4.793 0.684 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.668 4.751 -1.683 1.00 0.00 C ATOM 0 H ILE A 812 -5.801 7.812 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.506 7.371 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.301 5.753 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.799 4.711 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -7.098 6.288 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.786 3.787 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.329 5.054 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.166 4.827 0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.573 4.504 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.874 5.442 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.586 3.841 -1.089 1.00 0.00 H new ATOM 881 N PHE A 813 -7.786 7.764 2.484 1.00 0.00 N ATOM 882 CA PHE A 813 -8.370 8.052 3.790 1.00 0.00 C ATOM 883 C PHE A 813 -9.341 9.226 3.692 1.00 0.00 C ATOM 884 O PHE A 813 -10.451 9.180 4.227 1.00 0.00 O ATOM 885 CB PHE A 813 -7.270 8.378 4.806 1.00 0.00 C ATOM 886 CG PHE A 813 -6.728 7.182 5.537 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.583 6.262 6.124 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.361 6.983 5.641 1.00 0.00 C ATOM 889 CE1 PHE A 813 -7.083 5.166 6.800 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.856 5.889 6.317 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.719 4.980 6.898 1.00 0.00 C ATOM 0 H PHE A 813 -6.769 7.836 2.454 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.913 7.168 4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.450 8.875 4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.663 9.087 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.651 6.404 6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.682 7.691 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.759 4.455 7.252 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.788 5.745 6.391 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.327 4.125 7.428 1.00 0.00 H new ATOM 901 N SER A 814 -8.914 10.274 2.999 1.00 0.00 N ATOM 902 CA SER A 814 -9.733 11.463 2.811 1.00 0.00 C ATOM 903 C SER A 814 -10.930 11.174 1.905 1.00 0.00 C ATOM 904 O SER A 814 -12.059 11.551 2.213 1.00 0.00 O ATOM 905 CB SER A 814 -8.876 12.578 2.213 1.00 0.00 C ATOM 906 OG SER A 814 -7.517 12.420 2.589 1.00 0.00 O ATOM 0 H SER A 814 -7.997 10.323 2.555 1.00 0.00 H new ATOM 0 HA SER A 814 -10.119 11.776 3.781 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.962 12.567 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.242 13.547 2.552 1.00 0.00 H new ATOM 0 HG SER A 814 -6.983 13.141 2.196 1.00 0.00 H new ATOM 912 N SER A 815 -10.680 10.480 0.803 1.00 0.00 N ATOM 913 CA SER A 815 -11.717 10.209 -0.186 1.00 0.00 C ATOM 914 C SER A 815 -12.482 8.928 0.135 1.00 0.00 C ATOM 915 O SER A 815 -13.121 8.345 -0.742 1.00 0.00 O ATOM 916 CB SER A 815 -11.096 10.117 -1.581 1.00 0.00 C ATOM 917 OG SER A 815 -9.979 10.986 -1.699 1.00 0.00 O ATOM 0 H SER A 815 -9.765 10.093 0.570 1.00 0.00 H new ATOM 0 HA SER A 815 -12.429 11.034 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.785 9.091 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 815 -11.842 10.374 -2.333 1.00 0.00 H new ATOM 0 HG SER A 815 -9.177 10.536 -1.360 1.00 0.00 H new ATOM 923 N MET A 816 -12.414 8.492 1.391 1.00 0.00 N ATOM 924 CA MET A 816 -13.143 7.309 1.837 1.00 0.00 C ATOM 925 C MET A 816 -14.640 7.520 1.658 1.00 0.00 C ATOM 926 O MET A 816 -15.273 8.273 2.401 1.00 0.00 O ATOM 927 CB MET A 816 -12.828 7.000 3.299 1.00 0.00 C ATOM 928 CG MET A 816 -12.489 5.543 3.549 1.00 0.00 C ATOM 929 SD MET A 816 -11.452 5.313 5.004 1.00 0.00 S ATOM 930 CE MET A 816 -10.087 4.404 4.288 1.00 0.00 C ATOM 0 H MET A 816 -11.860 8.942 2.119 1.00 0.00 H new ATOM 0 HA MET A 816 -12.828 6.460 1.230 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.991 7.620 3.621 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.685 7.276 3.913 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.411 4.975 3.671 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.978 5.138 2.676 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.220 4.472 4.945 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.370 3.358 4.167 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.838 4.828 3.315 1.00 0.00 H new ATOM 940 N GLY A 817 -15.188 6.863 0.654 1.00 0.00 N ATOM 941 CA GLY A 817 -16.577 7.050 0.307 1.00 0.00 C ATOM 942 C GLY A 817 -16.739 7.189 -1.186 1.00 0.00 C ATOM 943 O GLY A 817 -17.688 6.667 -1.772 1.00 0.00 O ATOM 0 H GLY A 817 -14.689 6.195 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.163 6.204 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.965 7.939 0.804 1.00 0.00 H new ATOM 947 N ASP A 818 -15.790 7.882 -1.804 1.00 0.00 N ATOM 948 CA ASP A 818 -15.764 8.018 -3.252 1.00 0.00 C ATOM 949 C ASP A 818 -15.001 6.849 -3.847 1.00 0.00 C ATOM 950 O ASP A 818 -13.794 6.931 -4.073 1.00 0.00 O ATOM 951 CB ASP A 818 -15.112 9.336 -3.677 1.00 0.00 C ATOM 952 CG ASP A 818 -15.533 9.762 -5.071 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.096 9.129 -6.059 1.00 0.00 O ATOM 954 OD2 ASP A 818 -16.313 10.732 -5.185 1.00 0.00 O ATOM 0 H ASP A 818 -15.028 8.359 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.790 8.021 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.378 10.117 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.028 9.230 -3.644 1.00 0.00 H new ATOM 959 N ALA A 819 -15.718 5.757 -4.071 1.00 0.00 N ATOM 960 CA ALA A 819 -15.125 4.520 -4.559 1.00 0.00 C ATOM 961 C ALA A 819 -14.340 4.736 -5.845 1.00 0.00 C ATOM 962 O ALA A 819 -13.289 4.131 -6.043 1.00 0.00 O ATOM 963 CB ALA A 819 -16.206 3.479 -4.772 1.00 0.00 C ATOM 0 H ALA A 819 -16.725 5.703 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.423 4.166 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -15.755 2.556 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.716 3.285 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -16.925 3.846 -5.504 1.00 0.00 H new ATOM 969 N GLY A 820 -14.854 5.599 -6.711 1.00 0.00 N ATOM 970 CA GLY A 820 -14.180 5.888 -7.959 1.00 0.00 C ATOM 971 C GLY A 820 -12.791 6.460 -7.748 1.00 0.00 C ATOM 972 O GLY A 820 -11.815 5.964 -8.317 1.00 0.00 O ATOM 0 H GLY A 820 -15.728 6.105 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.108 4.975 -8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.777 6.594 -8.536 1.00 0.00 H new ATOM 976 N GLU A 821 -12.701 7.494 -6.919 1.00 0.00 N ATOM 977 CA GLU A 821 -11.424 8.127 -6.621 1.00 0.00 C ATOM 978 C GLU A 821 -10.555 7.183 -5.800 1.00 0.00 C ATOM 979 O GLU A 821 -9.342 7.116 -5.992 1.00 0.00 O ATOM 980 CB GLU A 821 -11.643 9.444 -5.868 1.00 0.00 C ATOM 981 CG GLU A 821 -10.379 10.276 -5.697 1.00 0.00 C ATOM 982 CD GLU A 821 -9.803 10.764 -7.014 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.585 11.080 -7.937 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.560 10.842 -7.131 1.00 0.00 O ATOM 0 H GLU A 821 -13.500 7.912 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.914 8.349 -7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.386 10.036 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.057 9.224 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.600 11.135 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.628 9.682 -5.177 1.00 0.00 H new ATOM 991 N MET A 822 -11.191 6.443 -4.900 1.00 0.00 N ATOM 992 CA MET A 822 -10.491 5.474 -4.069 1.00 0.00 C ATOM 993 C MET A 822 -9.800 4.424 -4.931 1.00 0.00 C ATOM 994 O MET A 822 -8.612 4.154 -4.758 1.00 0.00 O ATOM 995 CB MET A 822 -11.466 4.795 -3.107 1.00 0.00 C ATOM 996 CG MET A 822 -11.538 5.458 -1.741 1.00 0.00 C ATOM 997 SD MET A 822 -12.911 4.844 -0.746 1.00 0.00 S ATOM 998 CE MET A 822 -12.611 3.080 -0.824 1.00 0.00 C ATOM 0 H MET A 822 -12.195 6.497 -4.727 1.00 0.00 H new ATOM 0 HA MET A 822 -9.734 6.006 -3.492 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.461 4.793 -3.553 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.171 3.753 -2.980 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.603 5.287 -1.208 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.640 6.536 -1.869 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.199 2.577 -0.056 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.899 2.705 -1.806 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.552 2.883 -0.657 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.546 3.845 -5.868 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.997 2.845 -6.778 1.00 0.00 C ATOM 1010 C VAL A 823 -8.932 3.472 -7.677 1.00 0.00 C ATOM 1011 O VAL A 823 -7.894 2.864 -7.943 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.107 2.198 -7.643 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.520 1.404 -8.802 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -11.991 1.306 -6.786 1.00 0.00 C ATOM 0 H VAL A 823 -11.534 4.052 -6.017 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.539 2.062 -6.174 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.713 3.001 -8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.327 0.964 -9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.931 2.067 -9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.880 0.612 -8.413 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.767 0.858 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.386 0.519 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.455 1.901 -5.999 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.189 4.699 -8.121 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.235 5.431 -8.945 1.00 0.00 C ATOM 1026 C ARG A 824 -6.902 5.573 -8.221 1.00 0.00 C ATOM 1027 O ARG A 824 -5.854 5.213 -8.759 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.784 6.815 -9.305 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.965 7.538 -10.362 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.968 6.791 -11.686 1.00 0.00 C ATOM 1031 NE ARG A 824 -9.306 6.723 -12.273 1.00 0.00 N ATOM 1032 CZ ARG A 824 -9.777 7.598 -13.161 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -9.013 8.588 -13.603 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -11.009 7.470 -13.626 1.00 0.00 N ATOM 0 H ARG A 824 -10.051 5.207 -7.923 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.078 4.867 -9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.809 6.709 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.821 7.428 -8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -8.366 8.541 -10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -6.939 7.653 -10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -7.291 7.285 -12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -7.587 5.781 -11.534 1.00 0.00 H new ATOM 0 HE ARG A 824 -9.916 5.958 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -8.056 8.684 -13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.382 9.253 -14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -11.598 6.702 -13.305 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -11.370 8.140 -14.306 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.953 6.079 -6.995 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.754 6.242 -6.185 1.00 0.00 C ATOM 1050 C GLN A 825 -5.108 4.890 -5.900 1.00 0.00 C ATOM 1051 O GLN A 825 -3.891 4.749 -5.975 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.087 6.954 -4.872 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.654 8.350 -5.065 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.579 9.410 -5.208 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.461 9.251 -4.716 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.912 10.503 -5.876 1.00 0.00 N ATOM 0 H GLN A 825 -7.814 6.384 -6.540 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.046 6.853 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.805 6.353 -4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.185 7.018 -4.264 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.287 8.360 -5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.291 8.598 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.849 10.595 -6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.232 11.253 -5.999 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.934 3.890 -5.597 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.445 2.545 -5.309 1.00 0.00 C ATOM 1067 C ALA A 826 -4.655 1.975 -6.486 1.00 0.00 C ATOM 1068 O ALA A 826 -3.688 1.235 -6.298 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.604 1.627 -4.949 1.00 0.00 C ATOM 0 H ALA A 826 -6.948 3.988 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.769 2.609 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.224 0.628 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.116 2.015 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.303 1.580 -5.784 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.065 2.330 -7.699 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.363 1.897 -8.903 1.00 0.00 C ATOM 1077 C ARG A 827 -2.974 2.523 -8.964 1.00 0.00 C ATOM 1078 O ARG A 827 -1.993 1.855 -9.300 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.159 2.274 -10.150 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.286 1.309 -10.461 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.404 1.993 -11.226 1.00 0.00 C ATOM 1082 NE ARG A 827 -8.316 1.028 -11.829 1.00 0.00 N ATOM 1083 CZ ARG A 827 -8.808 1.133 -13.061 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -8.467 2.158 -13.836 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -9.629 0.201 -13.522 1.00 0.00 N ATOM 0 H ARG A 827 -5.880 2.917 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.259 0.813 -8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.573 3.274 -10.019 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.483 2.318 -11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.901 0.474 -11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.679 0.894 -9.533 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.959 2.646 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.978 2.626 -12.004 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.595 0.221 -11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -7.825 2.870 -13.487 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -8.848 2.233 -14.779 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -9.881 -0.593 -12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -10.009 0.277 -14.466 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.900 3.807 -8.630 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.626 4.514 -8.575 1.00 0.00 C ATOM 1101 C ILE A 828 -0.772 3.956 -7.439 1.00 0.00 C ATOM 1102 O ILE A 828 0.448 3.848 -7.558 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.827 6.036 -8.376 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.801 6.585 -9.422 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.494 6.770 -8.459 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.759 7.624 -8.880 1.00 0.00 C ATOM 0 H ILE A 828 -3.710 4.380 -8.393 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.119 4.362 -9.528 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.249 6.200 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.231 7.023 -10.241 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.375 5.758 -9.840 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.657 7.838 -8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.175 6.399 -7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.045 6.599 -9.437 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.417 7.965 -9.680 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.357 7.186 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.195 8.470 -8.489 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.434 3.592 -6.346 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.780 2.958 -5.209 1.00 0.00 C ATOM 1120 C LEU A 829 -0.079 1.676 -5.649 1.00 0.00 C ATOM 1121 O LEU A 829 1.098 1.469 -5.358 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.821 2.652 -4.119 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.293 1.983 -2.845 1.00 0.00 C ATOM 1124 CD1 LEU A 829 -0.019 2.659 -2.365 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.353 2.020 -1.756 1.00 0.00 C ATOM 0 H LEU A 829 -2.437 3.728 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.030 3.638 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.308 3.586 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.589 2.010 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 829 -1.059 0.944 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.336 2.166 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.745 2.588 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.222 3.708 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.967 1.542 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.611 3.056 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.242 1.489 -2.096 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.806 0.839 -6.381 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.263 -0.421 -6.871 1.00 0.00 C ATOM 1139 C ALA A 830 0.925 -0.183 -7.796 1.00 0.00 C ATOM 1140 O ALA A 830 1.875 -0.965 -7.818 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.344 -1.221 -7.582 1.00 0.00 C ATOM 0 H ALA A 830 -1.775 1.012 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 830 0.090 -0.996 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.924 -2.160 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.158 -1.431 -6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.726 -0.647 -8.426 1.00 0.00 H new ATOM 1147 N GLN A 831 0.869 0.905 -8.552 1.00 0.00 N ATOM 1148 CA GLN A 831 1.949 1.264 -9.461 1.00 0.00 C ATOM 1149 C GLN A 831 3.163 1.771 -8.681 1.00 0.00 C ATOM 1150 O GLN A 831 4.287 1.310 -8.891 1.00 0.00 O ATOM 1151 CB GLN A 831 1.469 2.329 -10.453 1.00 0.00 C ATOM 1152 CG GLN A 831 2.487 2.683 -11.528 1.00 0.00 C ATOM 1153 CD GLN A 831 3.204 1.468 -12.082 1.00 0.00 C ATOM 1154 OE1 GLN A 831 2.592 0.596 -12.699 1.00 0.00 O ATOM 1155 NE2 GLN A 831 4.507 1.404 -11.866 1.00 0.00 N ATOM 0 H GLN A 831 0.084 1.556 -8.554 1.00 0.00 H new ATOM 0 HA GLN A 831 2.247 0.374 -10.016 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.557 1.977 -10.934 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.210 3.233 -9.902 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.983 3.204 -12.342 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.221 3.374 -11.113 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.976 2.149 -11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 831 5.044 0.610 -12.216 1.00 0.00 H new ATOM 1164 N ALA A 832 2.920 2.704 -7.769 1.00 0.00 N ATOM 1165 CA ALA A 832 3.985 3.329 -6.995 1.00 0.00 C ATOM 1166 C ALA A 832 4.772 2.301 -6.186 1.00 0.00 C ATOM 1167 O ALA A 832 6.004 2.303 -6.198 1.00 0.00 O ATOM 1168 CB ALA A 832 3.410 4.400 -6.082 1.00 0.00 C ATOM 0 H ALA A 832 1.986 3.047 -7.546 1.00 0.00 H new ATOM 0 HA ALA A 832 4.679 3.794 -7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.215 4.860 -5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.912 5.161 -6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.691 3.948 -5.399 1.00 0.00 H new ATOM 1174 N THR A 833 4.063 1.418 -5.493 1.00 0.00 N ATOM 1175 CA THR A 833 4.713 0.396 -4.686 1.00 0.00 C ATOM 1176 C THR A 833 5.507 -0.580 -5.551 1.00 0.00 C ATOM 1177 O THR A 833 6.568 -1.050 -5.147 1.00 0.00 O ATOM 1178 CB THR A 833 3.698 -0.384 -3.839 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.773 0.523 -3.232 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.406 -1.191 -2.763 1.00 0.00 C ATOM 0 H THR A 833 3.044 1.390 -5.474 1.00 0.00 H new ATOM 0 HA THR A 833 5.401 0.917 -4.020 1.00 0.00 H new ATOM 0 HB THR A 833 3.158 -1.071 -4.491 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.102 0.797 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.669 -1.737 -2.173 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.092 -1.897 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.965 -0.518 -2.113 1.00 0.00 H new ATOM 1188 N SER A 834 5.000 -0.874 -6.742 1.00 0.00 N ATOM 1189 CA SER A 834 5.693 -1.767 -7.660 1.00 0.00 C ATOM 1190 C SER A 834 7.041 -1.177 -8.061 1.00 0.00 C ATOM 1191 O SER A 834 8.048 -1.885 -8.123 1.00 0.00 O ATOM 1192 CB SER A 834 4.835 -2.028 -8.897 1.00 0.00 C ATOM 1193 OG SER A 834 3.672 -2.765 -8.556 1.00 0.00 O ATOM 0 H SER A 834 4.115 -0.508 -7.093 1.00 0.00 H new ATOM 0 HA SER A 834 5.869 -2.716 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.550 -1.080 -9.354 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.415 -2.578 -9.638 1.00 0.00 H new ATOM 0 HG SER A 834 3.101 -2.224 -7.972 1.00 0.00 H new ATOM 1199 N ASP A 835 7.057 0.128 -8.308 1.00 0.00 N ATOM 1200 CA ASP A 835 8.291 0.827 -8.641 1.00 0.00 C ATOM 1201 C ASP A 835 9.222 0.852 -7.434 1.00 0.00 C ATOM 1202 O ASP A 835 10.434 0.691 -7.569 1.00 0.00 O ATOM 1203 CB ASP A 835 7.988 2.253 -9.104 1.00 0.00 C ATOM 1204 CG ASP A 835 8.509 2.531 -10.499 1.00 0.00 C ATOM 1205 OD1 ASP A 835 7.835 2.145 -11.480 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.591 3.141 -10.626 1.00 0.00 O ATOM 0 H ASP A 835 6.229 0.723 -8.284 1.00 0.00 H new ATOM 0 HA ASP A 835 8.784 0.295 -9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 835 6.911 2.418 -9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 835 8.433 2.961 -8.405 1.00 0.00 H new ATOM 1211 N LEU A 836 8.636 1.039 -6.256 1.00 0.00 N ATOM 1212 CA LEU A 836 9.394 1.045 -5.007 1.00 0.00 C ATOM 1213 C LEU A 836 10.058 -0.308 -4.769 1.00 0.00 C ATOM 1214 O LEU A 836 11.266 -0.386 -4.540 1.00 0.00 O ATOM 1215 CB LEU A 836 8.468 1.391 -3.831 1.00 0.00 C ATOM 1216 CG LEU A 836 9.071 1.211 -2.434 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.163 2.239 -2.190 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.991 1.323 -1.370 1.00 0.00 C ATOM 0 H LEU A 836 7.634 1.189 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 836 10.175 1.802 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.148 2.428 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.574 0.772 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 836 9.513 0.216 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.580 2.097 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.950 2.117 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.743 3.242 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.437 1.193 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.522 2.305 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.238 0.551 -1.533 1.00 0.00 H new ATOM 1230 N VAL A 837 9.267 -1.372 -4.849 1.00 0.00 N ATOM 1231 CA VAL A 837 9.762 -2.721 -4.610 1.00 0.00 C ATOM 1232 C VAL A 837 10.825 -3.100 -5.639 1.00 0.00 C ATOM 1233 O VAL A 837 11.849 -3.689 -5.294 1.00 0.00 O ATOM 1234 CB VAL A 837 8.612 -3.753 -4.629 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.144 -5.180 -4.610 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.674 -3.517 -3.452 1.00 0.00 C ATOM 0 H VAL A 837 8.274 -1.325 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 837 10.215 -2.733 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 837 8.056 -3.620 -5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.309 -5.880 -4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.771 -5.346 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.733 -5.337 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.868 -4.250 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.228 -3.618 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.254 -2.513 -3.517 1.00 0.00 H new ATOM 1246 N ASN A 838 10.590 -2.738 -6.897 1.00 0.00 N ATOM 1247 CA ASN A 838 11.548 -3.014 -7.964 1.00 0.00 C ATOM 1248 C ASN A 838 12.870 -2.292 -7.702 1.00 0.00 C ATOM 1249 O ASN A 838 13.946 -2.881 -7.834 1.00 0.00 O ATOM 1250 CB ASN A 838 10.975 -2.599 -9.325 1.00 0.00 C ATOM 1251 CG ASN A 838 12.052 -2.305 -10.355 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.299 -1.149 -10.695 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.690 -3.346 -10.865 1.00 0.00 N ATOM 0 H ASN A 838 9.746 -2.254 -7.203 1.00 0.00 H new ATOM 0 HA ASN A 838 11.738 -4.087 -7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 838 10.329 -3.393 -9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.351 -1.714 -9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.416 -3.205 -11.567 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.455 -4.289 -10.556 1.00 0.00 H new ATOM 1260 N ALA A 839 12.781 -1.023 -7.311 1.00 0.00 N ATOM 1261 CA ALA A 839 13.966 -0.232 -6.999 1.00 0.00 C ATOM 1262 C ALA A 839 14.779 -0.886 -5.888 1.00 0.00 C ATOM 1263 O ALA A 839 16.005 -0.962 -5.968 1.00 0.00 O ATOM 1264 CB ALA A 839 13.574 1.184 -6.603 1.00 0.00 C ATOM 0 H ALA A 839 11.900 -0.521 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 839 14.586 -0.185 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.471 1.759 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.040 1.658 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.930 1.151 -5.724 1.00 0.00 H new ATOM 1270 N ILE A 840 14.087 -1.368 -4.862 1.00 0.00 N ATOM 1271 CA ILE A 840 14.738 -2.046 -3.748 1.00 0.00 C ATOM 1272 C ILE A 840 15.301 -3.393 -4.192 1.00 0.00 C ATOM 1273 O ILE A 840 16.402 -3.771 -3.798 1.00 0.00 O ATOM 1274 CB ILE A 840 13.763 -2.238 -2.562 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.620 -0.926 -1.795 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.235 -3.347 -1.626 1.00 0.00 C ATOM 1277 CD1 ILE A 840 12.190 -0.578 -1.457 1.00 0.00 C ATOM 0 H ILE A 840 13.073 -1.301 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 840 15.561 -1.416 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 840 12.793 -2.533 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.198 -0.989 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 840 14.052 -0.119 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.527 -3.455 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.298 -4.286 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.217 -3.093 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 840 12.164 0.366 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.612 -0.483 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.760 -1.366 -0.838 1.00 0.00 H new ATOM 1289 N LYS A 841 14.549 -4.103 -5.027 1.00 0.00 N ATOM 1290 CA LYS A 841 14.988 -5.393 -5.553 1.00 0.00 C ATOM 1291 C LYS A 841 16.327 -5.253 -6.269 1.00 0.00 C ATOM 1292 O LYS A 841 17.206 -6.109 -6.145 1.00 0.00 O ATOM 1293 CB LYS A 841 13.940 -5.959 -6.514 1.00 0.00 C ATOM 1294 CG LYS A 841 13.231 -7.194 -5.984 1.00 0.00 C ATOM 1295 CD LYS A 841 14.124 -8.421 -6.057 1.00 0.00 C ATOM 1296 CE LYS A 841 13.317 -9.692 -6.249 1.00 0.00 C ATOM 1297 NZ LYS A 841 13.361 -10.175 -7.656 1.00 0.00 N ATOM 0 H LYS A 841 13.630 -3.807 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 841 15.110 -6.080 -4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.199 -5.188 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.422 -6.205 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 841 12.926 -7.025 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 841 12.322 -7.369 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 841 14.829 -8.310 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 841 14.712 -8.498 -5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 841 13.701 -10.468 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 841 12.282 -9.511 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 12.797 -11.045 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 12.971 -9.445 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 14.346 -10.373 -7.924 1.00 0.00 H new ATOM 1311 N ALA A 842 16.473 -4.167 -7.014 1.00 0.00 N ATOM 1312 CA ALA A 842 17.710 -3.886 -7.726 1.00 0.00 C ATOM 1313 C ALA A 842 18.791 -3.373 -6.778 1.00 0.00 C ATOM 1314 O ALA A 842 19.951 -3.778 -6.867 1.00 0.00 O ATOM 1315 CB ALA A 842 17.454 -2.873 -8.831 1.00 0.00 C ATOM 0 H ALA A 842 15.746 -3.463 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 842 18.067 -4.816 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 842 18.385 -2.668 -9.359 1.00 0.00 H new ATOM 0 HB2 ALA A 842 16.721 -3.275 -9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 842 17.072 -1.949 -8.396 1.00 0.00 H new ATOM 1321 N ASP A 843 18.400 -2.490 -5.866 1.00 0.00 N ATOM 1322 CA ASP A 843 19.348 -1.845 -4.955 1.00 0.00 C ATOM 1323 C ASP A 843 19.934 -2.836 -3.958 1.00 0.00 C ATOM 1324 O ASP A 843 21.149 -2.879 -3.759 1.00 0.00 O ATOM 1325 CB ASP A 843 18.673 -0.699 -4.198 1.00 0.00 C ATOM 1326 CG ASP A 843 19.507 0.566 -4.207 1.00 0.00 C ATOM 1327 OD1 ASP A 843 19.973 0.964 -5.298 1.00 0.00 O ATOM 1328 OD2 ASP A 843 19.690 1.171 -3.132 1.00 0.00 O ATOM 0 H ASP A 843 17.430 -2.201 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 843 20.161 -1.450 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 843 17.701 -0.494 -4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 843 18.491 -1.004 -3.168 1.00 0.00 H new ATOM 1333 N ALA A 844 19.067 -3.642 -3.354 1.00 0.00 N ATOM 1334 CA ALA A 844 19.475 -4.591 -2.322 1.00 0.00 C ATOM 1335 C ALA A 844 20.445 -5.630 -2.867 1.00 0.00 C ATOM 1336 O ALA A 844 21.234 -6.206 -2.119 1.00 0.00 O ATOM 1337 CB ALA A 844 18.258 -5.275 -1.720 1.00 0.00 C ATOM 0 H ALA A 844 18.069 -3.657 -3.563 1.00 0.00 H new ATOM 0 HA ALA A 844 19.991 -4.029 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 844 18.579 -5.979 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 844 17.603 -4.526 -1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 844 17.718 -5.811 -2.501 1.00 0.00 H new ATOM 1343 N GLU A 845 20.391 -5.864 -4.170 1.00 0.00 N ATOM 1344 CA GLU A 845 21.281 -6.821 -4.810 1.00 0.00 C ATOM 1345 C GLU A 845 22.718 -6.313 -4.794 1.00 0.00 C ATOM 1346 O GLU A 845 23.667 -7.095 -4.730 1.00 0.00 O ATOM 1347 CB GLU A 845 20.832 -7.083 -6.243 1.00 0.00 C ATOM 1348 CG GLU A 845 20.272 -8.477 -6.447 1.00 0.00 C ATOM 1349 CD GLU A 845 21.014 -9.255 -7.510 1.00 0.00 C ATOM 1350 OE1 GLU A 845 21.664 -8.627 -8.372 1.00 0.00 O ATOM 1351 OE2 GLU A 845 20.943 -10.500 -7.497 1.00 0.00 O ATOM 0 H GLU A 845 19.739 -5.404 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 845 21.239 -7.756 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 845 20.074 -6.350 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 845 21.678 -6.936 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 845 20.317 -9.023 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 845 19.220 -8.405 -6.724 1.00 0.00 H new ATOM 1358 N GLY A 846 22.869 -4.996 -4.836 1.00 0.00 N ATOM 1359 CA GLY A 846 24.188 -4.399 -4.799 1.00 0.00 C ATOM 1360 C GLY A 846 24.661 -4.157 -3.382 1.00 0.00 C ATOM 1361 O GLY A 846 25.797 -3.739 -3.159 1.00 0.00 O ATOM 0 H GLY A 846 22.099 -4.330 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 846 24.896 -5.051 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 846 24.174 -3.454 -5.343 1.00 0.00 H new ATOM 1365 N GLU A 847 23.785 -4.418 -2.426 1.00 0.00 N ATOM 1366 CA GLU A 847 24.118 -4.263 -1.022 1.00 0.00 C ATOM 1367 C GLU A 847 25.007 -5.416 -0.571 1.00 0.00 C ATOM 1368 O GLU A 847 24.687 -6.586 -0.795 1.00 0.00 O ATOM 1369 CB GLU A 847 22.837 -4.198 -0.183 1.00 0.00 C ATOM 1370 CG GLU A 847 23.077 -4.171 1.317 1.00 0.00 C ATOM 1371 CD GLU A 847 23.856 -2.953 1.771 1.00 0.00 C ATOM 1372 OE1 GLU A 847 25.100 -2.974 1.665 1.00 0.00 O ATOM 1373 OE2 GLU A 847 23.227 -1.983 2.242 1.00 0.00 O ATOM 0 H GLU A 847 22.833 -4.740 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 847 24.665 -3.331 -0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 847 22.275 -3.308 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 847 22.213 -5.059 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 847 22.117 -4.195 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 847 23.618 -5.071 1.609 1.00 0.00 H new ATOM 1380 N SER A 848 26.124 -5.078 0.054 1.00 0.00 N ATOM 1381 CA SER A 848 27.089 -6.069 0.499 1.00 0.00 C ATOM 1382 C SER A 848 26.565 -6.821 1.714 1.00 0.00 C ATOM 1383 O SER A 848 26.928 -7.974 1.949 1.00 0.00 O ATOM 1384 CB SER A 848 28.411 -5.380 0.826 1.00 0.00 C ATOM 1385 OG SER A 848 28.544 -4.183 0.079 1.00 0.00 O ATOM 0 H SER A 848 26.385 -4.115 0.266 1.00 0.00 H new ATOM 0 HA SER A 848 27.250 -6.792 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 848 28.458 -5.158 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 848 29.242 -6.049 0.603 1.00 0.00 H new ATOM 0 HG SER A 848 29.396 -3.752 0.301 1.00 0.00 H new ATOM 1391 N ASP A 849 25.714 -6.158 2.482 1.00 0.00 N ATOM 1392 CA ASP A 849 25.096 -6.770 3.650 1.00 0.00 C ATOM 1393 C ASP A 849 23.972 -7.705 3.220 1.00 0.00 C ATOM 1394 O ASP A 849 22.849 -7.267 2.972 1.00 0.00 O ATOM 1395 CB ASP A 849 24.550 -5.697 4.592 1.00 0.00 C ATOM 1396 CG ASP A 849 24.306 -6.221 5.995 1.00 0.00 C ATOM 1397 OD1 ASP A 849 23.621 -7.252 6.145 1.00 0.00 O ATOM 1398 OD2 ASP A 849 24.792 -5.590 6.957 1.00 0.00 O ATOM 0 H ASP A 849 25.434 -5.191 2.317 1.00 0.00 H new ATOM 0 HA ASP A 849 25.855 -7.346 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 849 25.253 -4.865 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 849 23.617 -5.304 4.188 1.00 0.00 H new ATOM 1403 N LEU A 850 24.289 -8.990 3.131 1.00 0.00 N ATOM 1404 CA LEU A 850 23.331 -9.994 2.682 1.00 0.00 C ATOM 1405 C LEU A 850 22.131 -10.079 3.620 1.00 0.00 C ATOM 1406 O LEU A 850 20.990 -10.185 3.171 1.00 0.00 O ATOM 1407 CB LEU A 850 24.012 -11.363 2.577 1.00 0.00 C ATOM 1408 CG LEU A 850 24.060 -11.962 1.169 1.00 0.00 C ATOM 1409 CD1 LEU A 850 22.687 -12.465 0.755 1.00 0.00 C ATOM 1410 CD2 LEU A 850 24.580 -10.938 0.170 1.00 0.00 C ATOM 0 H LEU A 850 25.208 -9.364 3.365 1.00 0.00 H new ATOM 0 HA LEU A 850 22.969 -9.694 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 850 25.032 -11.273 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 850 23.492 -12.061 3.234 1.00 0.00 H new ATOM 0 HG LEU A 850 24.746 -12.809 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 850 22.741 -12.887 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 850 22.355 -13.233 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 850 21.979 -11.637 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 850 24.607 -11.382 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 850 23.921 -10.070 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 850 25.585 -10.628 0.456 1.00 0.00 H new ATOM 1422 N GLU A 851 22.390 -10.020 4.919 1.00 0.00 N ATOM 1423 CA GLU A 851 21.328 -10.099 5.913 1.00 0.00 C ATOM 1424 C GLU A 851 20.369 -8.925 5.761 1.00 0.00 C ATOM 1425 O GLU A 851 19.155 -9.111 5.680 1.00 0.00 O ATOM 1426 CB GLU A 851 21.919 -10.107 7.323 1.00 0.00 C ATOM 1427 CG GLU A 851 21.463 -11.280 8.174 1.00 0.00 C ATOM 1428 CD GLU A 851 21.402 -12.580 7.400 1.00 0.00 C ATOM 1429 OE1 GLU A 851 22.443 -13.010 6.863 1.00 0.00 O ATOM 1430 OE2 GLU A 851 20.310 -13.180 7.330 1.00 0.00 O ATOM 0 H GLU A 851 23.327 -9.918 5.309 1.00 0.00 H new ATOM 0 HA GLU A 851 20.778 -11.027 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 851 23.006 -10.124 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 851 21.648 -9.179 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 851 22.143 -11.397 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 851 20.478 -11.062 8.587 1.00 0.00 H new ATOM 1437 N ASN A 852 20.925 -7.721 5.690 1.00 0.00 N ATOM 1438 CA ASN A 852 20.123 -6.515 5.506 1.00 0.00 C ATOM 1439 C ASN A 852 19.411 -6.549 4.157 1.00 0.00 C ATOM 1440 O ASN A 852 18.275 -6.089 4.035 1.00 0.00 O ATOM 1441 CB ASN A 852 21.004 -5.263 5.621 1.00 0.00 C ATOM 1442 CG ASN A 852 20.512 -4.105 4.771 1.00 0.00 C ATOM 1443 OD1 ASN A 852 19.396 -3.619 4.943 1.00 0.00 O ATOM 1444 ND2 ASN A 852 21.348 -3.649 3.858 1.00 0.00 N ATOM 0 H ASN A 852 21.929 -7.553 5.757 1.00 0.00 H new ATOM 0 HA ASN A 852 19.368 -6.477 6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 852 21.043 -4.949 6.664 1.00 0.00 H new ATOM 0 HB3 ASN A 852 22.023 -5.515 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 852 21.077 -2.866 3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 852 22.266 -4.080 3.746 1.00 0.00 H new ATOM 1451 N SER A 853 20.079 -7.113 3.158 1.00 0.00 N ATOM 1452 CA SER A 853 19.488 -7.292 1.840 1.00 0.00 C ATOM 1453 C SER A 853 18.209 -8.117 1.956 1.00 0.00 C ATOM 1454 O SER A 853 17.165 -7.738 1.429 1.00 0.00 O ATOM 1455 CB SER A 853 20.489 -7.986 0.906 1.00 0.00 C ATOM 1456 OG SER A 853 20.042 -7.983 -0.440 1.00 0.00 O ATOM 0 H SER A 853 21.036 -7.456 3.238 1.00 0.00 H new ATOM 0 HA SER A 853 19.241 -6.316 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 853 21.454 -7.484 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 853 20.642 -9.014 1.236 1.00 0.00 H new ATOM 0 HG SER A 853 20.580 -7.352 -0.962 1.00 0.00 H new ATOM 1462 N ARG A 854 18.289 -9.221 2.690 1.00 0.00 N ATOM 1463 CA ARG A 854 17.133 -10.080 2.912 1.00 0.00 C ATOM 1464 C ARG A 854 16.016 -9.315 3.608 1.00 0.00 C ATOM 1465 O ARG A 854 14.849 -9.435 3.238 1.00 0.00 O ATOM 1466 CB ARG A 854 17.533 -11.295 3.743 1.00 0.00 C ATOM 1467 CG ARG A 854 18.574 -12.162 3.062 1.00 0.00 C ATOM 1468 CD ARG A 854 17.994 -13.483 2.596 1.00 0.00 C ATOM 1469 NE ARG A 854 17.990 -13.584 1.136 1.00 0.00 N ATOM 1470 CZ ARG A 854 16.906 -13.428 0.373 1.00 0.00 C ATOM 1471 NH1 ARG A 854 15.713 -13.232 0.925 1.00 0.00 N ATOM 1472 NH2 ARG A 854 17.018 -13.471 -0.947 1.00 0.00 N ATOM 0 H ARG A 854 19.145 -9.542 3.142 1.00 0.00 H new ATOM 0 HA ARG A 854 16.766 -10.417 1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 854 17.921 -10.959 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 854 16.647 -11.895 3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 854 18.990 -11.627 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 854 19.397 -12.350 3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 854 18.574 -14.304 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 854 16.976 -13.587 2.971 1.00 0.00 H new ATOM 0 HE ARG A 854 18.875 -13.787 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 854 15.620 -13.200 1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 854 14.891 -13.114 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 854 17.930 -13.623 -1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 854 16.192 -13.352 -1.533 1.00 0.00 H new ATOM 1486 N LYS A 855 16.384 -8.520 4.608 1.00 0.00 N ATOM 1487 CA LYS A 855 15.424 -7.678 5.318 1.00 0.00 C ATOM 1488 C LYS A 855 14.766 -6.712 4.349 1.00 0.00 C ATOM 1489 O LYS A 855 13.560 -6.479 4.395 1.00 0.00 O ATOM 1490 CB LYS A 855 16.119 -6.870 6.418 1.00 0.00 C ATOM 1491 CG LYS A 855 17.036 -7.689 7.313 1.00 0.00 C ATOM 1492 CD LYS A 855 16.325 -8.901 7.897 1.00 0.00 C ATOM 1493 CE LYS A 855 17.311 -9.994 8.272 1.00 0.00 C ATOM 1494 NZ LYS A 855 16.659 -11.327 8.354 1.00 0.00 N ATOM 0 H LYS A 855 17.343 -8.440 4.947 1.00 0.00 H new ATOM 0 HA LYS A 855 14.674 -8.329 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 855 16.700 -6.073 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 855 15.359 -6.392 7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 855 17.903 -8.018 6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 855 17.408 -7.061 8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 855 15.758 -8.602 8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 855 15.608 -9.288 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 855 18.113 -10.027 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 855 17.770 -9.755 9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 17.366 -12.044 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 15.910 -11.304 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 16.243 -11.567 7.432 1.00 0.00 H new ATOM 1508 N LEU A 856 15.587 -6.168 3.467 1.00 0.00 N ATOM 1509 CA LEU A 856 15.160 -5.177 2.495 1.00 0.00 C ATOM 1510 C LEU A 856 14.061 -5.715 1.599 1.00 0.00 C ATOM 1511 O LEU A 856 13.011 -5.094 1.429 1.00 0.00 O ATOM 1512 CB LEU A 856 16.367 -4.795 1.645 1.00 0.00 C ATOM 1513 CG LEU A 856 17.079 -3.521 2.088 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.436 -3.403 1.413 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.227 -2.295 1.800 1.00 0.00 C ATOM 0 H LEU A 856 16.577 -6.404 3.405 1.00 0.00 H new ATOM 0 HA LEU A 856 14.762 -4.310 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.081 -5.619 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.043 -4.674 0.611 1.00 0.00 H new ATOM 0 HG LEU A 856 17.236 -3.578 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.928 -2.488 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.051 -4.262 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.303 -3.375 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.757 -1.399 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.030 -2.232 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.283 -2.374 2.339 1.00 0.00 H new ATOM 1527 N LEU A 857 14.306 -6.887 1.057 1.00 0.00 N ATOM 1528 CA LEU A 857 13.381 -7.512 0.139 1.00 0.00 C ATOM 1529 C LEU A 857 12.184 -8.099 0.877 1.00 0.00 C ATOM 1530 O LEU A 857 11.097 -8.227 0.315 1.00 0.00 O ATOM 1531 CB LEU A 857 14.123 -8.564 -0.673 1.00 0.00 C ATOM 1532 CG LEU A 857 15.475 -8.082 -1.210 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.503 -9.205 -1.153 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.326 -7.569 -2.632 1.00 0.00 C ATOM 0 H LEU A 857 15.149 -7.432 1.239 1.00 0.00 H new ATOM 0 HA LEU A 857 12.983 -6.762 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.281 -9.446 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.498 -8.872 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 857 15.825 -7.263 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.457 -8.845 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.628 -9.531 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.160 -10.043 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.294 -7.230 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.955 -8.370 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.621 -6.738 -2.647 1.00 0.00 H new ATOM 1546 N SER A 858 12.384 -8.439 2.145 1.00 0.00 N ATOM 1547 CA SER A 858 11.291 -8.904 2.984 1.00 0.00 C ATOM 1548 C SER A 858 10.340 -7.752 3.295 1.00 0.00 C ATOM 1549 O SER A 858 9.120 -7.914 3.250 1.00 0.00 O ATOM 1550 CB SER A 858 11.831 -9.516 4.278 1.00 0.00 C ATOM 1551 OG SER A 858 12.606 -10.673 4.002 1.00 0.00 O ATOM 0 H SER A 858 13.290 -8.401 2.612 1.00 0.00 H new ATOM 0 HA SER A 858 10.741 -9.675 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.440 -8.782 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.002 -9.776 4.936 1.00 0.00 H new ATOM 0 HG SER A 858 13.480 -10.405 3.650 1.00 0.00 H new ATOM 1557 N ALA A 859 10.910 -6.587 3.593 1.00 0.00 N ATOM 1558 CA ALA A 859 10.125 -5.387 3.844 1.00 0.00 C ATOM 1559 C ALA A 859 9.389 -4.957 2.582 1.00 0.00 C ATOM 1560 O ALA A 859 8.209 -4.608 2.629 1.00 0.00 O ATOM 1561 CB ALA A 859 11.018 -4.264 4.352 1.00 0.00 C ATOM 0 H ALA A 859 11.918 -6.451 3.666 1.00 0.00 H new ATOM 0 HA ALA A 859 9.385 -5.612 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.415 -3.374 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.499 -4.573 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.780 -4.039 3.606 1.00 0.00 H new ATOM 1567 N ALA A 860 10.088 -5.001 1.452 1.00 0.00 N ATOM 1568 CA ALA A 860 9.487 -4.681 0.164 1.00 0.00 C ATOM 1569 C ALA A 860 8.335 -5.635 -0.148 1.00 0.00 C ATOM 1570 O ALA A 860 7.343 -5.252 -0.767 1.00 0.00 O ATOM 1571 CB ALA A 860 10.535 -4.731 -0.937 1.00 0.00 C ATOM 0 H ALA A 860 11.074 -5.256 1.404 1.00 0.00 H new ATOM 0 HA ALA A 860 9.086 -3.669 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.070 -4.490 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.322 -4.008 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.965 -5.731 -0.985 1.00 0.00 H new ATOM 1577 N LYS A 861 8.467 -6.877 0.300 1.00 0.00 N ATOM 1578 CA LYS A 861 7.414 -7.867 0.125 1.00 0.00 C ATOM 1579 C LYS A 861 6.172 -7.478 0.925 1.00 0.00 C ATOM 1580 O LYS A 861 5.049 -7.741 0.502 1.00 0.00 O ATOM 1581 CB LYS A 861 7.905 -9.253 0.544 1.00 0.00 C ATOM 1582 CG LYS A 861 7.799 -10.297 -0.555 1.00 0.00 C ATOM 1583 CD LYS A 861 8.711 -9.973 -1.728 1.00 0.00 C ATOM 1584 CE LYS A 861 9.876 -10.946 -1.815 1.00 0.00 C ATOM 1585 NZ LYS A 861 9.627 -12.027 -2.806 1.00 0.00 N ATOM 0 H LYS A 861 9.294 -7.222 0.787 1.00 0.00 H new ATOM 0 HA LYS A 861 7.148 -7.899 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.944 -9.179 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.329 -9.587 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 861 8.058 -11.276 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 861 6.767 -10.357 -0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 861 8.138 -10.006 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 861 9.092 -8.957 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 861 10.781 -10.404 -2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 861 10.054 -11.387 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.446 -12.668 -2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 8.778 -12.561 -2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 9.483 -11.609 -3.747 1.00 0.00 H new ATOM 1599 N ILE A 862 6.377 -6.847 2.079 1.00 0.00 N ATOM 1600 CA ILE A 862 5.262 -6.344 2.879 1.00 0.00 C ATOM 1601 C ILE A 862 4.634 -5.136 2.195 1.00 0.00 C ATOM 1602 O ILE A 862 3.415 -4.962 2.216 1.00 0.00 O ATOM 1603 CB ILE A 862 5.692 -5.933 4.304 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.614 -6.981 4.924 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.469 -5.721 5.186 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.416 -6.452 6.094 1.00 0.00 C ATOM 0 H ILE A 862 7.299 -6.672 2.479 1.00 0.00 H new ATOM 0 HA ILE A 862 4.544 -7.160 2.963 1.00 0.00 H new ATOM 0 HB ILE A 862 6.243 -4.995 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 862 6.017 -7.830 5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.298 -7.351 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.788 -5.432 6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.847 -4.933 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.895 -6.646 5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 862 8.050 -7.246 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 862 8.039 -5.621 5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.737 -6.108 6.874 1.00 0.00 H new ATOM 1618 N LEU A 863 5.481 -4.308 1.592 1.00 0.00 N ATOM 1619 CA LEU A 863 5.026 -3.148 0.833 1.00 0.00 C ATOM 1620 C LEU A 863 4.009 -3.574 -0.220 1.00 0.00 C ATOM 1621 O LEU A 863 2.896 -3.050 -0.273 1.00 0.00 O ATOM 1622 CB LEU A 863 6.215 -2.452 0.156 1.00 0.00 C ATOM 1623 CG LEU A 863 6.718 -1.167 0.827 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.553 -0.291 1.270 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.621 -1.499 2.005 1.00 0.00 C ATOM 0 H LEU A 863 6.495 -4.420 1.615 1.00 0.00 H new ATOM 0 HA LEU A 863 4.553 -2.448 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.043 -3.159 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.935 -2.216 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 863 7.299 -0.607 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.937 0.613 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.951 -0.020 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.936 -0.839 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.968 -0.576 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 863 7.064 -2.085 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.478 -2.074 1.655 1.00 0.00 H new ATOM 1637 N ALA A 864 4.396 -4.544 -1.042 1.00 0.00 N ATOM 1638 CA ALA A 864 3.522 -5.060 -2.089 1.00 0.00 C ATOM 1639 C ALA A 864 2.312 -5.771 -1.491 1.00 0.00 C ATOM 1640 O ALA A 864 1.194 -5.643 -1.989 1.00 0.00 O ATOM 1641 CB ALA A 864 4.292 -6.000 -3.005 1.00 0.00 C ATOM 0 H ALA A 864 5.313 -4.990 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 864 3.161 -4.216 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.627 -6.377 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.120 -5.461 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.682 -6.836 -2.424 1.00 0.00 H new ATOM 1647 N ASP A 865 2.550 -6.513 -0.412 1.00 0.00 N ATOM 1648 CA ASP A 865 1.492 -7.240 0.289 1.00 0.00 C ATOM 1649 C ASP A 865 0.380 -6.295 0.728 1.00 0.00 C ATOM 1650 O ASP A 865 -0.786 -6.473 0.366 1.00 0.00 O ATOM 1651 CB ASP A 865 2.070 -7.953 1.514 1.00 0.00 C ATOM 1652 CG ASP A 865 1.119 -8.971 2.110 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.109 -8.570 2.725 1.00 0.00 O ATOM 1654 OD2 ASP A 865 1.387 -10.183 1.982 1.00 0.00 O ATOM 0 H ASP A 865 3.476 -6.628 0.000 1.00 0.00 H new ATOM 0 HA ASP A 865 1.073 -7.975 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.998 -8.451 1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.323 -7.212 2.273 1.00 0.00 H new ATOM 1659 N ALA A 866 0.753 -5.280 1.497 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.206 -4.313 2.008 1.00 0.00 C ATOM 1661 C ALA A 866 -0.873 -3.554 0.869 1.00 0.00 C ATOM 1662 O ALA A 866 -2.054 -3.225 0.940 1.00 0.00 O ATOM 1663 CB ALA A 866 0.477 -3.349 2.966 1.00 0.00 C ATOM 0 H ALA A 866 1.717 -5.106 1.781 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.981 -4.854 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.252 -2.631 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.901 -3.906 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.273 -2.819 2.443 1.00 0.00 H new ATOM 1669 N THR A 867 -0.114 -3.298 -0.190 1.00 0.00 N ATOM 1670 CA THR A 867 -0.640 -2.607 -1.357 1.00 0.00 C ATOM 1671 C THR A 867 -1.724 -3.435 -2.049 1.00 0.00 C ATOM 1672 O THR A 867 -2.764 -2.903 -2.439 1.00 0.00 O ATOM 1673 CB THR A 867 0.485 -2.273 -2.355 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.422 -1.383 -1.738 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.066 -1.632 -3.620 1.00 0.00 C ATOM 0 H THR A 867 0.869 -3.560 -0.263 1.00 0.00 H new ATOM 0 HA THR A 867 -1.087 -1.675 -1.010 1.00 0.00 H new ATOM 0 HB THR A 867 0.979 -3.204 -2.634 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.704 -0.704 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.754 -1.409 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.763 -2.318 -4.102 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.585 -0.709 -3.364 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.491 -4.737 -2.188 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.487 -5.620 -2.785 1.00 0.00 C ATOM 1685 C ALA A 868 -3.726 -5.692 -1.912 1.00 0.00 C ATOM 1686 O ALA A 868 -4.845 -5.742 -2.413 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.932 -7.014 -2.997 1.00 0.00 C ATOM 0 H ALA A 868 -0.630 -5.200 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.754 -5.204 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.699 -7.647 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.070 -6.965 -3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.627 -7.434 -2.038 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.518 -5.704 -0.601 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.624 -5.708 0.343 1.00 0.00 C ATOM 1695 C LYS A 869 -5.409 -4.411 0.222 1.00 0.00 C ATOM 1696 O LYS A 869 -6.636 -4.409 0.254 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.107 -5.880 1.773 1.00 0.00 C ATOM 1698 CG LYS A 869 -5.012 -6.735 2.647 1.00 0.00 C ATOM 1699 CD LYS A 869 -5.009 -8.185 2.196 1.00 0.00 C ATOM 1700 CE LYS A 869 -6.015 -9.014 2.978 1.00 0.00 C ATOM 1701 NZ LYS A 869 -5.348 -10.016 3.850 1.00 0.00 N ATOM 0 H LYS A 869 -2.594 -5.711 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.281 -6.546 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.115 -6.331 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -3.996 -4.897 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.682 -6.674 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -6.029 -6.344 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -5.242 -8.237 1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -4.011 -8.605 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -6.632 -8.355 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -6.683 -9.524 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -6.068 -10.561 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -4.779 -10.661 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -4.730 -9.528 4.529 1.00 0.00 H new ATOM 1715 N MET A 870 -4.680 -3.317 0.062 1.00 0.00 N ATOM 1716 CA MET A 870 -5.279 -2.001 -0.100 1.00 0.00 C ATOM 1717 C MET A 870 -6.070 -1.915 -1.401 1.00 0.00 C ATOM 1718 O MET A 870 -7.221 -1.477 -1.413 1.00 0.00 O ATOM 1719 CB MET A 870 -4.189 -0.928 -0.077 1.00 0.00 C ATOM 1720 CG MET A 870 -4.368 0.088 1.034 1.00 0.00 C ATOM 1721 SD MET A 870 -6.099 0.469 1.350 1.00 0.00 S ATOM 1722 CE MET A 870 -6.361 1.771 0.157 1.00 0.00 C ATOM 0 H MET A 870 -3.660 -3.316 0.041 1.00 0.00 H new ATOM 0 HA MET A 870 -5.969 -1.834 0.727 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.218 -1.410 0.034 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.180 -0.409 -1.036 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.911 -0.293 1.947 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.840 1.005 0.772 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.429 1.890 -0.023 1.00 0.00 H new ATOM 0 HE2 MET A 870 -5.952 2.705 0.542 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.862 1.514 -0.777 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.452 -2.350 -2.492 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.091 -2.309 -3.800 1.00 0.00 C ATOM 1734 C VAL A 871 -7.303 -3.240 -3.842 1.00 0.00 C ATOM 1735 O VAL A 871 -8.309 -2.938 -4.484 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.083 -2.656 -4.933 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.174 -4.114 -5.367 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.292 -1.734 -6.124 1.00 0.00 C ATOM 0 H VAL A 871 -4.508 -2.736 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.439 -1.290 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.081 -2.505 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.450 -4.304 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -4.959 -4.761 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.178 -4.322 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.580 -1.987 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.307 -1.853 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.138 -0.700 -5.815 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.212 -4.355 -3.127 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.295 -5.322 -3.077 1.00 0.00 C ATOM 1750 C GLU A 872 -9.422 -4.820 -2.175 1.00 0.00 C ATOM 1751 O GLU A 872 -10.602 -5.038 -2.459 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.767 -6.677 -2.589 1.00 0.00 C ATOM 1753 CG GLU A 872 -7.840 -7.769 -3.643 1.00 0.00 C ATOM 1754 CD GLU A 872 -9.213 -7.889 -4.271 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -10.058 -8.633 -3.726 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -9.455 -7.248 -5.313 1.00 0.00 O ATOM 0 H GLU A 872 -6.395 -4.610 -2.573 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.700 -5.449 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.732 -6.561 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.339 -6.988 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -7.106 -7.565 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.568 -8.723 -3.191 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.054 -4.134 -1.098 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.033 -3.567 -0.180 1.00 0.00 C ATOM 1765 C ALA A 873 -10.802 -2.431 -0.841 1.00 0.00 C ATOM 1766 O ALA A 873 -12.033 -2.400 -0.810 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.354 -3.072 1.087 1.00 0.00 C ATOM 0 H ALA A 873 -8.083 -3.957 -0.840 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.740 -4.353 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.101 -2.652 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.850 -3.904 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.623 -2.304 0.832 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.069 -1.505 -1.452 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.674 -0.353 -2.111 1.00 0.00 C ATOM 1775 C ALA A 874 -11.610 -0.790 -3.234 1.00 0.00 C ATOM 1776 O ALA A 874 -12.695 -0.234 -3.399 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.598 0.576 -2.650 1.00 0.00 C ATOM 0 H ALA A 874 -9.051 -1.531 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.264 0.186 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -10.066 1.430 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.974 0.926 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.981 0.039 -3.371 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.187 -1.793 -3.995 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.994 -2.313 -5.092 1.00 0.00 C ATOM 1785 C LYS A 875 -13.220 -3.052 -4.565 1.00 0.00 C ATOM 1786 O LYS A 875 -14.311 -2.931 -5.117 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.161 -3.248 -5.969 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.678 -2.606 -7.259 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.383 -3.238 -7.751 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.517 -4.743 -7.933 1.00 0.00 C ATOM 1791 NZ LYS A 875 -10.322 -5.093 -9.133 1.00 0.00 N ATOM 0 H LYS A 875 -10.290 -2.262 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.331 -1.467 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.298 -3.593 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.755 -4.129 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.446 -2.706 -8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.525 -1.539 -7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -9.094 -2.782 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.584 -3.028 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -8.525 -5.187 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -9.982 -5.175 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -10.387 -6.127 -9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -11.277 -4.692 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -9.866 -4.704 -9.983 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.036 -3.806 -3.489 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.134 -4.564 -2.915 1.00 0.00 C ATOM 1807 C GLY A 876 -15.172 -3.675 -2.264 1.00 0.00 C ATOM 1808 O GLY A 876 -16.363 -3.984 -2.277 1.00 0.00 O ATOM 0 H GLY A 876 -12.145 -3.907 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.608 -5.159 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.742 -5.262 -2.175 1.00 0.00 H new ATOM 1812 N ALA A 877 -14.722 -2.562 -1.701 1.00 0.00 N ATOM 1813 CA ALA A 877 -15.614 -1.620 -1.041 1.00 0.00 C ATOM 1814 C ALA A 877 -16.174 -0.602 -2.030 1.00 0.00 C ATOM 1815 O ALA A 877 -16.963 0.270 -1.662 1.00 0.00 O ATOM 1816 CB ALA A 877 -14.884 -0.916 0.092 1.00 0.00 C ATOM 0 H ALA A 877 -13.739 -2.289 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 877 -16.454 -2.179 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -15.560 -0.213 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -14.542 -1.653 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -14.026 -0.376 -0.308 1.00 0.00 H new ATOM 1822 N ALA A 878 -15.767 -0.719 -3.288 1.00 0.00 N ATOM 1823 CA ALA A 878 -16.224 0.193 -4.325 1.00 0.00 C ATOM 1824 C ALA A 878 -17.689 -0.053 -4.659 1.00 0.00 C ATOM 1825 O ALA A 878 -18.047 -1.107 -5.189 1.00 0.00 O ATOM 1826 CB ALA A 878 -15.365 0.056 -5.574 1.00 0.00 C ATOM 0 H ALA A 878 -15.121 -1.438 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 878 -16.127 1.210 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -15.722 0.746 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -14.329 0.289 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -15.428 -0.966 -5.949 1.00 0.00 H new ATOM 1832 N ALA A 879 -18.532 0.918 -4.331 1.00 0.00 N ATOM 1833 CA ALA A 879 -19.962 0.821 -4.596 1.00 0.00 C ATOM 1834 C ALA A 879 -20.249 0.922 -6.088 1.00 0.00 C ATOM 1835 O ALA A 879 -20.620 -0.061 -6.732 1.00 0.00 O ATOM 1836 CB ALA A 879 -20.718 1.907 -3.843 1.00 0.00 C ATOM 0 H ALA A 879 -18.248 1.787 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 879 -20.303 -0.154 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -21.784 1.820 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -20.548 1.793 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.364 2.886 -4.165 1.00 0.00 H new ATOM 1842 N HIS A 880 -20.064 2.112 -6.635 1.00 0.00 N ATOM 1843 CA HIS A 880 -20.377 2.368 -8.030 1.00 0.00 C ATOM 1844 C HIS A 880 -19.343 3.333 -8.627 1.00 0.00 C ATOM 1845 O HIS A 880 -19.513 4.555 -8.609 1.00 0.00 O ATOM 1846 CB HIS A 880 -21.830 2.891 -8.126 1.00 0.00 C ATOM 1847 CG HIS A 880 -22.125 3.836 -9.255 1.00 0.00 C ATOM 1848 ND1 HIS A 880 -21.969 3.515 -10.582 1.00 0.00 N ATOM 1849 CD2 HIS A 880 -22.576 5.111 -9.230 1.00 0.00 C ATOM 1850 CE1 HIS A 880 -22.308 4.551 -11.324 1.00 0.00 C ATOM 1851 NE2 HIS A 880 -22.681 5.536 -10.530 1.00 0.00 N ATOM 0 H HIS A 880 -19.697 2.919 -6.131 1.00 0.00 H new ATOM 0 HA HIS A 880 -20.319 1.453 -8.620 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -22.497 2.033 -8.215 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -22.076 3.390 -7.189 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -22.810 5.689 -8.348 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -22.284 4.587 -12.403 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -22.995 6.458 -10.832 1.00 0.00 H new ATOM 1860 N PRO A 881 -18.207 2.783 -9.083 1.00 0.00 N ATOM 1861 CA PRO A 881 -17.159 3.528 -9.759 1.00 0.00 C ATOM 1862 C PRO A 881 -17.135 3.284 -11.270 1.00 0.00 C ATOM 1863 O PRO A 881 -18.008 2.599 -11.811 1.00 0.00 O ATOM 1864 CB PRO A 881 -15.915 2.919 -9.118 1.00 0.00 C ATOM 1865 CG PRO A 881 -16.284 1.486 -8.840 1.00 0.00 C ATOM 1866 CD PRO A 881 -17.795 1.385 -8.921 1.00 0.00 C ATOM 0 HA PRO A 881 -17.269 4.608 -9.656 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -15.055 2.983 -9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -15.647 3.443 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -15.815 0.821 -9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -15.931 1.183 -7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -18.115 0.769 -9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -18.219 0.940 -8.021 1.00 0.00 H new ATOM 1874 N ASP A 882 -16.134 3.868 -11.934 1.00 0.00 N ATOM 1875 CA ASP A 882 -15.825 3.603 -13.350 1.00 0.00 C ATOM 1876 C ASP A 882 -16.822 4.243 -14.312 1.00 0.00 C ATOM 1877 O ASP A 882 -16.434 4.804 -15.337 1.00 0.00 O ATOM 1878 CB ASP A 882 -15.733 2.100 -13.628 1.00 0.00 C ATOM 1879 CG ASP A 882 -14.952 1.794 -14.890 1.00 0.00 C ATOM 1880 OD1 ASP A 882 -14.093 2.609 -15.278 1.00 0.00 O ATOM 1881 OD2 ASP A 882 -15.177 0.724 -15.491 1.00 0.00 O ATOM 0 H ASP A 882 -15.506 4.546 -11.503 1.00 0.00 H new ATOM 0 HA ASP A 882 -14.854 4.065 -13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -15.258 1.605 -12.781 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -16.738 1.687 -13.716 1.00 0.00 H new ATOM 1886 N SER A 883 -18.097 4.142 -13.993 1.00 0.00 N ATOM 1887 CA SER A 883 -19.141 4.691 -14.840 1.00 0.00 C ATOM 1888 C SER A 883 -19.020 6.207 -14.939 1.00 0.00 C ATOM 1889 O SER A 883 -19.070 6.771 -16.036 1.00 0.00 O ATOM 1890 CB SER A 883 -20.516 4.309 -14.292 1.00 0.00 C ATOM 1891 OG SER A 883 -20.484 3.027 -13.689 1.00 0.00 O ATOM 0 H SER A 883 -18.438 3.682 -13.149 1.00 0.00 H new ATOM 0 HA SER A 883 -19.026 4.273 -15.840 1.00 0.00 H new ATOM 0 HB2 SER A 883 -20.839 5.051 -13.561 1.00 0.00 H new ATOM 0 HB3 SER A 883 -21.248 4.317 -15.099 1.00 0.00 H new ATOM 0 HG SER A 883 -21.374 2.805 -13.344 1.00 0.00 H new ATOM 1897 N GLU A 884 -18.823 6.851 -13.789 1.00 0.00 N ATOM 1898 CA GLU A 884 -18.779 8.307 -13.704 1.00 0.00 C ATOM 1899 C GLU A 884 -20.042 8.897 -14.323 1.00 0.00 C ATOM 1900 O GLU A 884 -19.985 9.780 -15.183 1.00 0.00 O ATOM 1901 CB GLU A 884 -17.523 8.856 -14.391 1.00 0.00 C ATOM 1902 CG GLU A 884 -16.343 9.028 -13.448 1.00 0.00 C ATOM 1903 CD GLU A 884 -15.617 7.727 -13.173 1.00 0.00 C ATOM 1904 OE1 GLU A 884 -16.013 7.006 -12.232 1.00 0.00 O ATOM 1905 OE2 GLU A 884 -14.642 7.422 -13.895 1.00 0.00 O ATOM 0 H GLU A 884 -18.690 6.379 -12.895 1.00 0.00 H new ATOM 0 HA GLU A 884 -18.734 8.598 -12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -17.237 8.183 -15.199 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -17.758 9.818 -14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -15.643 9.746 -13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -16.695 9.449 -12.506 1.00 0.00 H new ATOM 1912 N GLU A 885 -21.181 8.376 -13.880 1.00 0.00 N ATOM 1913 CA GLU A 885 -22.474 8.750 -14.428 1.00 0.00 C ATOM 1914 C GLU A 885 -23.594 8.194 -13.549 1.00 0.00 C ATOM 1915 O GLU A 885 -23.444 8.105 -12.327 1.00 0.00 O ATOM 1916 CB GLU A 885 -22.619 8.222 -15.861 1.00 0.00 C ATOM 1917 CG GLU A 885 -22.894 9.309 -16.888 1.00 0.00 C ATOM 1918 CD GLU A 885 -24.357 9.683 -16.968 1.00 0.00 C ATOM 1919 OE1 GLU A 885 -24.952 10.011 -15.916 1.00 0.00 O ATOM 1920 OE2 GLU A 885 -24.920 9.659 -18.082 1.00 0.00 O ATOM 0 H GLU A 885 -21.231 7.684 -13.132 1.00 0.00 H new ATOM 0 HA GLU A 885 -22.544 9.838 -14.448 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -21.706 7.695 -16.139 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -23.429 7.494 -15.890 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -22.310 10.195 -16.638 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -22.556 8.971 -17.868 1.00 0.00 H new ATOM 1927 N GLN A 886 -24.704 7.821 -14.189 1.00 0.00 N ATOM 1928 CA GLN A 886 -25.880 7.268 -13.515 1.00 0.00 C ATOM 1929 C GLN A 886 -26.622 8.344 -12.732 1.00 0.00 C ATOM 1930 O GLN A 886 -27.509 8.037 -11.934 1.00 0.00 O ATOM 1931 CB GLN A 886 -25.501 6.101 -12.593 1.00 0.00 C ATOM 1932 CG GLN A 886 -25.868 4.736 -13.152 1.00 0.00 C ATOM 1933 CD GLN A 886 -24.803 4.176 -14.074 1.00 0.00 C ATOM 1934 OE1 GLN A 886 -24.504 4.752 -15.119 1.00 0.00 O ATOM 1935 NE2 GLN A 886 -24.217 3.053 -13.693 1.00 0.00 N ATOM 0 H GLN A 886 -24.813 7.895 -15.200 1.00 0.00 H new ATOM 0 HA GLN A 886 -26.546 6.885 -14.288 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -24.427 6.131 -12.407 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -25.995 6.235 -11.631 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -26.030 4.042 -12.327 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -26.810 4.812 -13.695 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -24.493 2.605 -12.819 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -23.489 2.635 -14.273 1.00 0.00 H new ATOM 1944 N GLN A 887 -26.275 9.603 -12.984 1.00 0.00 N ATOM 1945 CA GLN A 887 -26.884 10.730 -12.284 1.00 0.00 C ATOM 1946 C GLN A 887 -26.322 12.053 -12.795 1.00 0.00 C ATOM 1947 O GLN A 887 -25.360 12.587 -12.240 1.00 0.00 O ATOM 1948 CB GLN A 887 -26.652 10.620 -10.774 1.00 0.00 C ATOM 1949 CG GLN A 887 -27.656 11.405 -9.946 1.00 0.00 C ATOM 1950 CD GLN A 887 -28.876 10.588 -9.564 1.00 0.00 C ATOM 1951 OE1 GLN A 887 -29.429 9.846 -10.378 1.00 0.00 O ATOM 1952 NE2 GLN A 887 -29.314 10.735 -8.325 1.00 0.00 N ATOM 0 H GLN A 887 -25.571 9.869 -13.672 1.00 0.00 H new ATOM 0 HA GLN A 887 -27.956 10.703 -12.480 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -26.696 9.570 -10.484 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -25.647 10.973 -10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -27.169 11.766 -9.040 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -27.975 12.283 -10.508 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -28.827 11.360 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -30.139 10.224 -8.012 1.00 0.00 H new ATOM 1961 N GLN A 888 -26.919 12.574 -13.855 1.00 0.00 N ATOM 1962 CA GLN A 888 -26.513 13.859 -14.406 1.00 0.00 C ATOM 1963 C GLN A 888 -27.401 14.965 -13.851 1.00 0.00 C ATOM 1964 O GLN A 888 -27.005 16.133 -13.789 1.00 0.00 O ATOM 1965 CB GLN A 888 -26.592 13.842 -15.935 1.00 0.00 C ATOM 1966 CG GLN A 888 -25.364 13.252 -16.614 1.00 0.00 C ATOM 1967 CD GLN A 888 -24.097 13.415 -15.794 1.00 0.00 C ATOM 1968 OE1 GLN A 888 -23.560 14.515 -15.672 1.00 0.00 O ATOM 1969 NE2 GLN A 888 -23.616 12.320 -15.231 1.00 0.00 N ATOM 0 H GLN A 888 -27.688 12.126 -14.353 1.00 0.00 H new ATOM 0 HA GLN A 888 -25.479 14.049 -14.117 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -27.470 13.271 -16.236 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -26.737 14.862 -16.292 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -25.534 12.192 -16.803 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -25.227 13.730 -17.584 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -24.095 11.428 -15.359 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -22.766 12.367 -14.669 1.00 0.00 H new ATOM 1978 N ARG A 889 -28.602 14.584 -13.446 1.00 0.00 N ATOM 1979 CA ARG A 889 -29.553 15.520 -12.877 1.00 0.00 C ATOM 1980 C ARG A 889 -29.552 15.405 -11.360 1.00 0.00 C ATOM 1981 O ARG A 889 -29.446 14.268 -10.856 1.00 0.00 O ATOM 1982 CB ARG A 889 -30.955 15.257 -13.425 1.00 0.00 C ATOM 1983 CG ARG A 889 -31.575 16.463 -14.116 1.00 0.00 C ATOM 1984 CD ARG A 889 -32.719 17.063 -13.307 1.00 0.00 C ATOM 1985 NE ARG A 889 -33.081 16.238 -12.155 1.00 0.00 N ATOM 1986 CZ ARG A 889 -33.189 16.697 -10.909 1.00 0.00 C ATOM 1987 NH1 ARG A 889 -33.015 17.988 -10.651 1.00 0.00 N ATOM 1988 NH2 ARG A 889 -33.483 15.860 -9.925 1.00 0.00 N ATOM 1989 OXT ARG A 889 -29.639 16.447 -10.681 1.00 0.00 O ATOM 0 H ARG A 889 -28.942 13.624 -13.503 1.00 0.00 H new ATOM 0 HA ARG A 889 -29.257 16.531 -13.156 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -30.911 14.427 -14.131 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -31.603 14.945 -12.606 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -30.809 17.221 -14.277 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -31.943 16.168 -15.099 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -32.434 18.057 -12.963 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -33.590 17.186 -13.951 1.00 0.00 H new ATOM 0 HE ARG A 889 -33.263 15.247 -12.316 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -32.797 18.635 -11.409 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -33.099 18.333 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -33.625 14.870 -10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -33.567 16.206 -8.969 1.00 0.00 H new TER 2003 ARG A 889