USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 807 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 840 MET CE :methyl -142:sc= -2.21 (180deg=-4.39!) USER MOD Set 1.2: A 881 MET CE :methyl -178:sc= -2.93! (180deg=-2.96!) USER MOD Set 2.1: A 845 THR OG1 : rot -108:sc= 1.07 USER MOD Set 2.2: A 892 ASN : amide:sc= 0.903 K(o=2,f=-0.33) USER MOD Set 3.1: A 820 THR OG1 : rot 180:sc= -0.0941 USER MOD Set 3.2: A 821 THR OG1 : rot 180:sc= -0.043 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 805 SER OG : rot 7:sc= 0.159 USER MOD Single : A 806 SER OG : rot 180:sc= 0 USER MOD Single : A 809 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 810 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 811 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0113) USER MOD Single : A 813 THR OG1 : rot 180:sc= 0 USER MOD Single : A 817 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 826 GLN : amide:sc= -1.17 K(o=-1.2,f=-5!) USER MOD Single : A 829 GLN : amide:sc= 0.0384 K(o=0.038,f=-1.7!) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.335 X(o=-0.34,f=-0.69) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 844 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 SER OG : rot 150:sc= -0.57 USER MOD Single : A 848 HIS :FLIP no HD1:sc= -3.8 F(o=-4.5!,f=-3.8) USER MOD Single : A 849 ASN : amide:sc= -0.0565 K(o=-0.057,f=-0.78) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= 0 USER MOD Single : A 857 ASN : amide:sc=-0.00584 K(o=-0.0058,f=-0.54) USER MOD Single : A 858 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.2!) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 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 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.47!) USER MOD Single : A 874 SER OG : rot 86:sc= 1.18 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 887 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 889 ASN : amide:sc=-0.00322 X(o=-0.0032,f=0) USER MOD Single : A 890 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 891 TYR OH : rot 180:sc= 0 USER MOD Single : A 893 TYR OH : rot 180:sc= -0.0369 USER MOD Single : A 896 SER OG : rot 180:sc= 0 USER MOD Single : A 899 SER OG : rot 180:sc= 0 USER MOD Single : A 900 SER OG : rot 48:sc= 0.485 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 801 -42.712 -4.155 18.358 1.00 0.00 N ATOM 2 CA GLY A 801 -41.295 -4.091 18.051 1.00 0.00 C ATOM 3 C GLY A 801 -40.803 -2.669 17.876 1.00 0.00 C ATOM 4 O GLY A 801 -41.573 -1.717 18.007 1.00 0.00 O ATOM 0 HA2 GLY A 801 -40.731 -4.571 18.851 1.00 0.00 H new ATOM 0 HA3 GLY A 801 -41.098 -4.655 17.139 1.00 0.00 H new ATOM 8 N SER A 802 -39.516 -2.522 17.580 1.00 0.00 N ATOM 9 CA SER A 802 -38.920 -1.204 17.392 1.00 0.00 C ATOM 10 C SER A 802 -37.497 -1.323 16.855 1.00 0.00 C ATOM 11 O SER A 802 -36.765 -2.249 17.203 1.00 0.00 O ATOM 12 CB SER A 802 -38.916 -0.430 18.712 1.00 0.00 C ATOM 13 OG SER A 802 -38.631 0.942 18.498 1.00 0.00 O ATOM 0 H SER A 802 -38.865 -3.299 17.465 1.00 0.00 H new ATOM 0 HA SER A 802 -39.521 -0.661 16.662 1.00 0.00 H new ATOM 0 HB2 SER A 802 -39.886 -0.531 19.200 1.00 0.00 H new ATOM 0 HB3 SER A 802 -38.174 -0.858 19.386 1.00 0.00 H new ATOM 0 HG SER A 802 -38.636 1.415 19.356 1.00 0.00 H new ATOM 19 N SER A 803 -37.112 -0.378 16.003 1.00 0.00 N ATOM 20 CA SER A 803 -35.779 -0.377 15.413 1.00 0.00 C ATOM 21 C SER A 803 -35.472 0.969 14.764 1.00 0.00 C ATOM 22 O SER A 803 -36.379 1.705 14.377 1.00 0.00 O ATOM 23 CB SER A 803 -35.656 -1.496 14.377 1.00 0.00 C ATOM 24 OG SER A 803 -36.563 -1.302 13.307 1.00 0.00 O ATOM 0 H SER A 803 -37.705 0.397 15.706 1.00 0.00 H new ATOM 0 HA SER A 803 -35.056 -0.549 16.210 1.00 0.00 H new ATOM 0 HB2 SER A 803 -34.637 -1.529 13.992 1.00 0.00 H new ATOM 0 HB3 SER A 803 -35.849 -2.458 14.852 1.00 0.00 H new ATOM 0 HG SER A 803 -36.463 -2.029 12.658 1.00 0.00 H new ATOM 30 N GLY A 804 -34.186 1.284 14.648 1.00 0.00 N ATOM 31 CA GLY A 804 -33.781 2.541 14.045 1.00 0.00 C ATOM 32 C GLY A 804 -32.316 2.851 14.279 1.00 0.00 C ATOM 33 O GLY A 804 -31.600 2.066 14.900 1.00 0.00 O ATOM 0 H GLY A 804 -33.417 0.691 14.961 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -33.975 2.505 12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -34.390 3.348 14.452 1.00 0.00 H new ATOM 37 N SER A 805 -31.869 3.999 13.779 1.00 0.00 N ATOM 38 CA SER A 805 -30.478 4.409 13.933 1.00 0.00 C ATOM 39 C SER A 805 -30.367 5.927 14.035 1.00 0.00 C ATOM 40 O SER A 805 -31.349 6.646 13.850 1.00 0.00 O ATOM 41 CB SER A 805 -29.642 3.903 12.756 1.00 0.00 C ATOM 42 OG SER A 805 -29.420 2.507 12.850 1.00 0.00 O ATOM 0 H SER A 805 -32.450 4.661 13.264 1.00 0.00 H new ATOM 0 HA SER A 805 -30.096 3.972 14.855 1.00 0.00 H new ATOM 0 HB2 SER A 805 -30.151 4.131 11.820 1.00 0.00 H new ATOM 0 HB3 SER A 805 -28.686 4.426 12.734 1.00 0.00 H new ATOM 0 HG SER A 805 -29.942 2.142 13.595 1.00 0.00 H new ATOM 48 N SER A 806 -29.164 6.407 14.331 1.00 0.00 N ATOM 49 CA SER A 806 -28.923 7.840 14.462 1.00 0.00 C ATOM 50 C SER A 806 -27.509 8.197 14.014 1.00 0.00 C ATOM 51 O SER A 806 -26.598 7.373 14.081 1.00 0.00 O ATOM 52 CB SER A 806 -29.140 8.285 15.909 1.00 0.00 C ATOM 53 OG SER A 806 -29.006 9.690 16.037 1.00 0.00 O ATOM 0 H SER A 806 -28.340 5.825 14.485 1.00 0.00 H new ATOM 0 HA SER A 806 -29.631 8.362 13.819 1.00 0.00 H new ATOM 0 HB2 SER A 806 -30.132 7.980 16.242 1.00 0.00 H new ATOM 0 HB3 SER A 806 -28.419 7.787 16.558 1.00 0.00 H new ATOM 0 HG SER A 806 -29.151 9.949 16.971 1.00 0.00 H new ATOM 59 N GLY A 807 -27.334 9.433 13.556 1.00 0.00 N ATOM 60 CA GLY A 807 -26.029 9.879 13.104 1.00 0.00 C ATOM 61 C GLY A 807 -25.608 11.186 13.746 1.00 0.00 C ATOM 62 O GLY A 807 -26.434 12.072 13.963 1.00 0.00 O ATOM 0 H GLY A 807 -28.073 10.133 13.490 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -25.288 9.112 13.330 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -26.044 9.998 12.021 1.00 0.00 H new ATOM 66 N ILE A 808 -24.321 11.305 14.051 1.00 0.00 N ATOM 67 CA ILE A 808 -23.792 12.513 14.673 1.00 0.00 C ATOM 68 C ILE A 808 -22.587 13.044 13.904 1.00 0.00 C ATOM 69 O ILE A 808 -21.459 12.600 14.115 1.00 0.00 O ATOM 70 CB ILE A 808 -23.383 12.261 16.136 1.00 0.00 C ATOM 71 CG1 ILE A 808 -24.587 11.780 16.949 1.00 0.00 C ATOM 72 CG2 ILE A 808 -22.795 13.524 16.747 1.00 0.00 C ATOM 73 CD1 ILE A 808 -24.206 11.056 18.222 1.00 0.00 C ATOM 0 H ILE A 808 -23.625 10.580 13.878 1.00 0.00 H new ATOM 0 HA ILE A 808 -24.590 13.255 14.651 1.00 0.00 H new ATOM 0 HB ILE A 808 -22.620 11.483 16.156 1.00 0.00 H new ATOM 0 HG12 ILE A 808 -25.211 12.637 17.201 1.00 0.00 H new ATOM 0 HG13 ILE A 808 -25.191 11.117 16.330 1.00 0.00 H new ATOM 0 HG21 ILE A 808 -22.511 13.330 17.781 1.00 0.00 H new ATOM 0 HG22 ILE A 808 -21.915 13.827 16.180 1.00 0.00 H new ATOM 0 HG23 ILE A 808 -23.537 14.322 16.718 1.00 0.00 H new ATOM 0 HD11 ILE A 808 -25.109 10.744 18.747 1.00 0.00 H new ATOM 0 HD12 ILE A 808 -23.607 10.179 17.976 1.00 0.00 H new ATOM 0 HD13 ILE A 808 -23.627 11.723 18.861 1.00 0.00 H new ATOM 85 N GLN A 809 -22.835 14.000 13.014 1.00 0.00 N ATOM 86 CA GLN A 809 -21.769 14.593 12.215 1.00 0.00 C ATOM 87 C GLN A 809 -21.586 16.067 12.560 1.00 0.00 C ATOM 88 O GLN A 809 -22.514 16.865 12.431 1.00 0.00 O ATOM 89 CB GLN A 809 -22.075 14.440 10.724 1.00 0.00 C ATOM 90 CG GLN A 809 -21.909 13.019 10.211 1.00 0.00 C ATOM 91 CD GLN A 809 -20.525 12.461 10.475 1.00 0.00 C ATOM 92 OE1 GLN A 809 -19.517 13.089 10.149 1.00 0.00 O ATOM 93 NE2 GLN A 809 -20.468 11.275 11.070 1.00 0.00 N ATOM 0 H GLN A 809 -23.763 14.380 12.828 1.00 0.00 H new ATOM 0 HA GLN A 809 -20.842 14.067 12.444 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -23.097 14.768 10.536 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -21.419 15.101 10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -22.652 12.377 10.684 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -22.106 12.998 9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -21.329 10.789 11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -19.564 10.850 11.274 1.00 0.00 H new ATOM 102 N MET A 810 -20.383 16.421 13.000 1.00 0.00 N ATOM 103 CA MET A 810 -20.078 17.801 13.363 1.00 0.00 C ATOM 104 C MET A 810 -18.692 18.200 12.866 1.00 0.00 C ATOM 105 O MET A 810 -17.677 17.744 13.393 1.00 0.00 O ATOM 106 CB MET A 810 -20.160 17.981 14.880 1.00 0.00 C ATOM 107 CG MET A 810 -21.583 17.979 15.416 1.00 0.00 C ATOM 108 SD MET A 810 -22.341 19.615 15.381 1.00 0.00 S ATOM 109 CE MET A 810 -21.725 20.306 16.915 1.00 0.00 C ATOM 0 H MET A 810 -19.604 15.773 13.114 1.00 0.00 H new ATOM 0 HA MET A 810 -20.815 18.448 12.887 1.00 0.00 H new ATOM 0 HB2 MET A 810 -19.597 17.182 15.363 1.00 0.00 H new ATOM 0 HB3 MET A 810 -19.679 18.920 15.153 1.00 0.00 H new ATOM 0 HG2 MET A 810 -22.188 17.290 14.827 1.00 0.00 H new ATOM 0 HG3 MET A 810 -21.581 17.606 16.440 1.00 0.00 H new ATOM 0 HE1 MET A 810 -22.108 21.319 17.037 1.00 0.00 H new ATOM 0 HE2 MET A 810 -22.057 19.690 17.751 1.00 0.00 H new ATOM 0 HE3 MET A 810 -20.636 20.330 16.892 1.00 0.00 H new ATOM 119 N LYS A 811 -18.657 19.054 11.849 1.00 0.00 N ATOM 120 CA LYS A 811 -17.396 19.516 11.281 1.00 0.00 C ATOM 121 C LYS A 811 -16.784 20.619 12.139 1.00 0.00 C ATOM 122 O LYS A 811 -17.498 21.458 12.688 1.00 0.00 O ATOM 123 CB LYS A 811 -17.612 20.027 9.854 1.00 0.00 C ATOM 124 CG LYS A 811 -18.370 21.341 9.787 1.00 0.00 C ATOM 125 CD LYS A 811 -19.858 21.140 10.023 1.00 0.00 C ATOM 126 CE LYS A 811 -20.685 22.178 9.282 1.00 0.00 C ATOM 127 NZ LYS A 811 -20.777 21.879 7.826 1.00 0.00 N ATOM 0 H LYS A 811 -19.488 19.440 11.401 1.00 0.00 H new ATOM 0 HA LYS A 811 -16.706 18.672 11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 811 -16.643 20.151 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 811 -18.157 19.273 9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 811 -17.972 22.030 10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 811 -18.215 21.802 8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 811 -20.148 20.141 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 811 -20.069 21.199 11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 811 -21.687 22.216 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 811 -20.241 23.164 9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 -20.939 22.761 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 -19.890 21.442 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 -21.567 21.225 7.655 1.00 0.00 H new ATOM 141 N GLU A 812 -15.459 20.611 12.249 1.00 0.00 N ATOM 142 CA GLU A 812 -14.753 21.612 13.040 1.00 0.00 C ATOM 143 C GLU A 812 -13.453 22.027 12.357 1.00 0.00 C ATOM 144 O GLU A 812 -12.926 21.308 11.508 1.00 0.00 O ATOM 145 CB GLU A 812 -14.456 21.070 14.440 1.00 0.00 C ATOM 146 CG GLU A 812 -14.158 22.155 15.462 1.00 0.00 C ATOM 147 CD GLU A 812 -13.765 21.591 16.813 1.00 0.00 C ATOM 148 OE1 GLU A 812 -12.964 20.634 16.847 1.00 0.00 O ATOM 149 OE2 GLU A 812 -14.259 22.108 17.837 1.00 0.00 O ATOM 0 H GLU A 812 -14.854 19.923 11.801 1.00 0.00 H new ATOM 0 HA GLU A 812 -15.394 22.489 13.126 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -15.309 20.485 14.782 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -13.605 20.391 14.385 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -13.354 22.789 15.089 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -15.036 22.790 15.579 1.00 0.00 H new ATOM 156 N THR A 813 -12.941 23.195 12.734 1.00 0.00 N ATOM 157 CA THR A 813 -11.704 23.708 12.158 1.00 0.00 C ATOM 158 C THR A 813 -10.554 23.616 13.154 1.00 0.00 C ATOM 159 O THR A 813 -10.766 23.639 14.366 1.00 0.00 O ATOM 160 CB THR A 813 -11.861 25.172 11.706 1.00 0.00 C ATOM 161 OG1 THR A 813 -12.182 26.000 12.829 1.00 0.00 O ATOM 162 CG2 THR A 813 -12.948 25.299 10.649 1.00 0.00 C ATOM 0 H THR A 813 -13.364 23.803 13.435 1.00 0.00 H new ATOM 0 HA THR A 813 -11.479 23.089 11.290 1.00 0.00 H new ATOM 0 HB THR A 813 -10.915 25.498 11.273 1.00 0.00 H new ATOM 0 HG1 THR A 813 -12.278 26.929 12.533 1.00 0.00 H new ATOM 0 HG21 THR A 813 -13.040 26.342 10.346 1.00 0.00 H new ATOM 0 HG22 THR A 813 -12.686 24.691 9.783 1.00 0.00 H new ATOM 0 HG23 THR A 813 -13.897 24.955 11.060 1.00 0.00 H new ATOM 170 N VAL A 814 -9.335 23.512 12.635 1.00 0.00 N ATOM 171 CA VAL A 814 -8.150 23.418 13.479 1.00 0.00 C ATOM 172 C VAL A 814 -7.256 24.641 13.309 1.00 0.00 C ATOM 173 O VAL A 814 -7.221 25.253 12.242 1.00 0.00 O ATOM 174 CB VAL A 814 -7.333 22.151 13.161 1.00 0.00 C ATOM 175 CG1 VAL A 814 -8.159 20.903 13.431 1.00 0.00 C ATOM 176 CG2 VAL A 814 -6.848 22.178 11.720 1.00 0.00 C ATOM 0 H VAL A 814 -9.142 23.491 11.634 1.00 0.00 H new ATOM 0 HA VAL A 814 -8.499 23.367 14.510 1.00 0.00 H new ATOM 0 HB VAL A 814 -6.460 22.129 13.813 1.00 0.00 H new ATOM 0 HG11 VAL A 814 -7.566 20.018 13.201 1.00 0.00 H new ATOM 0 HG12 VAL A 814 -8.452 20.881 14.481 1.00 0.00 H new ATOM 0 HG13 VAL A 814 -9.051 20.915 12.805 1.00 0.00 H new ATOM 0 HG21 VAL A 814 -6.273 21.276 11.513 1.00 0.00 H new ATOM 0 HG22 VAL A 814 -7.705 22.224 11.048 1.00 0.00 H new ATOM 0 HG23 VAL A 814 -6.218 23.054 11.565 1.00 0.00 H new ATOM 186 N GLU A 815 -6.534 24.992 14.369 1.00 0.00 N ATOM 187 CA GLU A 815 -5.639 26.143 14.336 1.00 0.00 C ATOM 188 C GLU A 815 -4.250 25.739 13.848 1.00 0.00 C ATOM 189 O GLU A 815 -3.778 24.639 14.131 1.00 0.00 O ATOM 190 CB GLU A 815 -5.539 26.779 15.724 1.00 0.00 C ATOM 191 CG GLU A 815 -4.538 27.919 15.801 1.00 0.00 C ATOM 192 CD GLU A 815 -4.539 28.607 17.152 1.00 0.00 C ATOM 193 OE1 GLU A 815 -4.579 27.896 18.179 1.00 0.00 O ATOM 194 OE2 GLU A 815 -4.501 29.854 17.184 1.00 0.00 O ATOM 0 H GLU A 815 -6.551 24.496 15.260 1.00 0.00 H new ATOM 0 HA GLU A 815 -6.052 26.872 13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -6.522 27.149 16.016 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -5.260 26.012 16.446 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -3.539 27.535 15.594 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -4.765 28.650 15.025 1.00 0.00 H new ATOM 201 N GLU A 816 -3.603 26.639 13.114 1.00 0.00 N ATOM 202 CA GLU A 816 -2.270 26.375 12.586 1.00 0.00 C ATOM 203 C GLU A 816 -1.327 25.915 13.694 1.00 0.00 C ATOM 204 O GLU A 816 -1.104 26.631 14.669 1.00 0.00 O ATOM 205 CB GLU A 816 -1.708 27.628 11.910 1.00 0.00 C ATOM 206 CG GLU A 816 -2.483 28.053 10.674 1.00 0.00 C ATOM 207 CD GLU A 816 -2.104 29.441 10.197 1.00 0.00 C ATOM 208 OE1 GLU A 816 -1.122 29.559 9.434 1.00 0.00 O ATOM 209 OE2 GLU A 816 -2.789 30.410 10.586 1.00 0.00 O ATOM 0 H GLU A 816 -3.980 27.556 12.872 1.00 0.00 H new ATOM 0 HA GLU A 816 -2.351 25.577 11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -1.707 28.448 12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -0.670 27.446 11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -2.304 27.336 9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -3.551 28.027 10.892 1.00 0.00 H new ATOM 216 N GLN A 817 -0.777 24.716 13.534 1.00 0.00 N ATOM 217 CA GLN A 817 0.141 24.159 14.521 1.00 0.00 C ATOM 218 C GLN A 817 1.031 23.091 13.896 1.00 0.00 C ATOM 219 O GLN A 817 0.636 22.420 12.943 1.00 0.00 O ATOM 220 CB GLN A 817 -0.639 23.567 15.696 1.00 0.00 C ATOM 221 CG GLN A 817 -1.356 22.269 15.358 1.00 0.00 C ATOM 222 CD GLN A 817 -2.511 21.980 16.296 1.00 0.00 C ATOM 223 OE1 GLN A 817 -3.677 22.072 15.910 1.00 0.00 O ATOM 224 NE2 GLN A 817 -2.194 21.627 17.536 1.00 0.00 N ATOM 0 H GLN A 817 -0.951 24.112 12.731 1.00 0.00 H new ATOM 0 HA GLN A 817 0.776 24.966 14.885 1.00 0.00 H new ATOM 0 HB2 GLN A 817 0.047 23.388 16.524 1.00 0.00 H new ATOM 0 HB3 GLN A 817 -1.371 24.298 16.041 1.00 0.00 H new ATOM 0 HG2 GLN A 817 -1.728 22.319 14.335 1.00 0.00 H new ATOM 0 HG3 GLN A 817 -0.645 21.444 15.398 1.00 0.00 H new ATOM 0 HE21 GLN A 817 -1.215 21.563 17.813 1.00 0.00 H new ATOM 0 HE22 GLN A 817 -2.930 21.420 18.211 1.00 0.00 H new ATOM 233 N ALA A 818 2.235 22.939 14.438 1.00 0.00 N ATOM 234 CA ALA A 818 3.180 21.951 13.934 1.00 0.00 C ATOM 235 C ALA A 818 2.563 20.556 13.922 1.00 0.00 C ATOM 236 O ALA A 818 2.610 19.855 12.911 1.00 0.00 O ATOM 237 CB ALA A 818 4.451 21.961 14.771 1.00 0.00 C ATOM 0 H ALA A 818 2.579 23.488 15.226 1.00 0.00 H new ATOM 0 HA ALA A 818 3.432 22.217 12.907 1.00 0.00 H new ATOM 0 HB1 ALA A 818 5.148 21.218 14.383 1.00 0.00 H new ATOM 0 HB2 ALA A 818 4.910 22.949 14.724 1.00 0.00 H new ATOM 0 HB3 ALA A 818 4.207 21.724 15.806 1.00 0.00 H new ATOM 243 N SER A 819 1.986 20.160 15.052 1.00 0.00 N ATOM 244 CA SER A 819 1.364 18.847 15.173 1.00 0.00 C ATOM 245 C SER A 819 -0.134 18.977 15.434 1.00 0.00 C ATOM 246 O SER A 819 -0.562 19.191 16.569 1.00 0.00 O ATOM 247 CB SER A 819 2.022 18.049 16.300 1.00 0.00 C ATOM 248 OG SER A 819 3.157 17.343 15.829 1.00 0.00 O ATOM 0 H SER A 819 1.936 20.730 15.897 1.00 0.00 H new ATOM 0 HA SER A 819 1.506 18.317 14.231 1.00 0.00 H new ATOM 0 HB2 SER A 819 2.317 18.724 17.103 1.00 0.00 H new ATOM 0 HB3 SER A 819 1.302 17.347 16.721 1.00 0.00 H new ATOM 0 HG SER A 819 3.561 16.842 16.568 1.00 0.00 H new ATOM 254 N THR A 820 -0.926 18.848 14.375 1.00 0.00 N ATOM 255 CA THR A 820 -2.376 18.952 14.487 1.00 0.00 C ATOM 256 C THR A 820 -2.932 17.888 15.426 1.00 0.00 C ATOM 257 O THR A 820 -3.688 18.193 16.350 1.00 0.00 O ATOM 258 CB THR A 820 -3.057 18.815 13.113 1.00 0.00 C ATOM 259 OG1 THR A 820 -2.684 17.575 12.502 1.00 0.00 O ATOM 260 CG2 THR A 820 -2.673 19.970 12.201 1.00 0.00 C ATOM 0 H THR A 820 -0.588 18.671 13.429 1.00 0.00 H new ATOM 0 HA THR A 820 -2.592 19.940 14.894 1.00 0.00 H new ATOM 0 HB THR A 820 -4.136 18.835 13.264 1.00 0.00 H new ATOM 0 HG1 THR A 820 -3.123 17.495 11.629 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.166 19.851 11.236 1.00 0.00 H new ATOM 0 HG22 THR A 820 -2.985 20.911 12.655 1.00 0.00 H new ATOM 0 HG23 THR A 820 -1.592 19.977 12.058 1.00 0.00 H new ATOM 268 N THR A 821 -2.554 16.636 15.185 1.00 0.00 N ATOM 269 CA THR A 821 -3.016 15.526 16.009 1.00 0.00 C ATOM 270 C THR A 821 -1.844 14.693 16.517 1.00 0.00 C ATOM 271 O THR A 821 -0.713 14.854 16.059 1.00 0.00 O ATOM 272 CB THR A 821 -3.981 14.613 15.231 1.00 0.00 C ATOM 273 OG1 THR A 821 -3.400 14.242 13.976 1.00 0.00 O ATOM 274 CG2 THR A 821 -5.312 15.309 14.992 1.00 0.00 C ATOM 0 H THR A 821 -1.929 16.366 14.426 1.00 0.00 H new ATOM 0 HA THR A 821 -3.544 15.961 16.858 1.00 0.00 H new ATOM 0 HB THR A 821 -4.159 13.719 15.828 1.00 0.00 H new ATOM 0 HG1 THR A 821 -4.019 13.660 13.488 1.00 0.00 H new ATOM 0 HG21 THR A 821 -5.977 14.644 14.441 1.00 0.00 H new ATOM 0 HG22 THR A 821 -5.766 15.564 15.949 1.00 0.00 H new ATOM 0 HG23 THR A 821 -5.148 16.219 14.414 1.00 0.00 H new ATOM 282 N GLU A 822 -2.123 13.803 17.463 1.00 0.00 N ATOM 283 CA GLU A 822 -1.090 12.945 18.032 1.00 0.00 C ATOM 284 C GLU A 822 -1.015 11.616 17.286 1.00 0.00 C ATOM 285 O GLU A 822 0.068 11.150 16.934 1.00 0.00 O ATOM 286 CB GLU A 822 -1.365 12.694 19.516 1.00 0.00 C ATOM 287 CG GLU A 822 -0.821 13.782 20.428 1.00 0.00 C ATOM 288 CD GLU A 822 -1.062 13.487 21.896 1.00 0.00 C ATOM 289 OE1 GLU A 822 -2.229 13.245 22.269 1.00 0.00 O ATOM 290 OE2 GLU A 822 -0.083 13.498 22.671 1.00 0.00 O ATOM 0 H GLU A 822 -3.055 13.657 17.852 1.00 0.00 H new ATOM 0 HA GLU A 822 -0.132 13.455 17.928 1.00 0.00 H new ATOM 0 HB2 GLU A 822 -2.441 12.608 19.668 1.00 0.00 H new ATOM 0 HB3 GLU A 822 -0.925 11.738 19.802 1.00 0.00 H new ATOM 0 HG2 GLU A 822 0.249 13.895 20.255 1.00 0.00 H new ATOM 0 HG3 GLU A 822 -1.287 14.733 20.171 1.00 0.00 H new ATOM 297 N ARG A 823 -2.175 11.011 17.049 1.00 0.00 N ATOM 298 CA ARG A 823 -2.241 9.735 16.347 1.00 0.00 C ATOM 299 C ARG A 823 -1.410 9.774 15.068 1.00 0.00 C ATOM 300 O ARG A 823 -0.620 8.868 14.800 1.00 0.00 O ATOM 301 CB ARG A 823 -3.693 9.387 16.014 1.00 0.00 C ATOM 302 CG ARG A 823 -4.502 8.933 17.218 1.00 0.00 C ATOM 303 CD ARG A 823 -5.982 9.235 17.041 1.00 0.00 C ATOM 304 NE ARG A 823 -6.726 9.079 18.288 1.00 0.00 N ATOM 305 CZ ARG A 823 -6.814 10.027 19.215 1.00 0.00 C ATOM 306 NH1 ARG A 823 -6.208 11.192 19.036 1.00 0.00 N ATOM 307 NH2 ARG A 823 -7.510 9.809 20.323 1.00 0.00 N ATOM 0 H ARG A 823 -3.081 11.384 17.333 1.00 0.00 H new ATOM 0 HA ARG A 823 -1.831 8.967 17.002 1.00 0.00 H new ATOM 0 HB2 ARG A 823 -4.174 10.259 15.571 1.00 0.00 H new ATOM 0 HB3 ARG A 823 -3.705 8.599 15.261 1.00 0.00 H new ATOM 0 HG2 ARG A 823 -4.363 7.862 17.368 1.00 0.00 H new ATOM 0 HG3 ARG A 823 -4.133 9.431 18.115 1.00 0.00 H new ATOM 0 HD2 ARG A 823 -6.102 10.254 16.672 1.00 0.00 H new ATOM 0 HD3 ARG A 823 -6.399 8.571 16.284 1.00 0.00 H new ATOM 0 HE ARG A 823 -7.204 8.194 18.457 1.00 0.00 H new ATOM 0 HH11 ARG A 823 -5.672 11.363 18.185 1.00 0.00 H new ATOM 0 HH12 ARG A 823 -6.277 11.918 19.749 1.00 0.00 H new ATOM 0 HH21 ARG A 823 -7.978 8.914 20.464 1.00 0.00 H new ATOM 0 HH22 ARG A 823 -7.577 10.537 21.034 1.00 0.00 H new ATOM 321 N VAL A 824 -1.593 10.830 14.282 1.00 0.00 N ATOM 322 CA VAL A 824 -0.860 10.988 13.031 1.00 0.00 C ATOM 323 C VAL A 824 0.621 10.683 13.220 1.00 0.00 C ATOM 324 O VAL A 824 1.241 10.019 12.389 1.00 0.00 O ATOM 325 CB VAL A 824 -1.012 12.413 12.468 1.00 0.00 C ATOM 326 CG1 VAL A 824 -0.496 13.440 13.465 1.00 0.00 C ATOM 327 CG2 VAL A 824 -0.287 12.540 11.137 1.00 0.00 C ATOM 0 H VAL A 824 -2.242 11.589 14.489 1.00 0.00 H new ATOM 0 HA VAL A 824 -1.286 10.278 12.322 1.00 0.00 H new ATOM 0 HB VAL A 824 -2.071 12.606 12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 824 -0.612 14.441 13.049 1.00 0.00 H new ATOM 0 HG12 VAL A 824 -1.064 13.364 14.392 1.00 0.00 H new ATOM 0 HG13 VAL A 824 0.558 13.252 13.669 1.00 0.00 H new ATOM 0 HG21 VAL A 824 -0.405 13.554 10.754 1.00 0.00 H new ATOM 0 HG22 VAL A 824 0.773 12.326 11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 824 -0.708 11.831 10.424 1.00 0.00 H new ATOM 337 N PHE A 825 1.185 11.173 14.320 1.00 0.00 N ATOM 338 CA PHE A 825 2.595 10.954 14.619 1.00 0.00 C ATOM 339 C PHE A 825 2.971 9.488 14.423 1.00 0.00 C ATOM 340 O PHE A 825 3.836 9.162 13.611 1.00 0.00 O ATOM 341 CB PHE A 825 2.908 11.385 16.053 1.00 0.00 C ATOM 342 CG PHE A 825 4.319 11.091 16.474 1.00 0.00 C ATOM 343 CD1 PHE A 825 5.330 12.011 16.246 1.00 0.00 C ATOM 344 CD2 PHE A 825 4.636 9.894 17.096 1.00 0.00 C ATOM 345 CE1 PHE A 825 6.630 11.744 16.633 1.00 0.00 C ATOM 346 CE2 PHE A 825 5.934 9.621 17.485 1.00 0.00 C ATOM 347 CZ PHE A 825 6.932 10.547 17.252 1.00 0.00 C ATOM 0 H PHE A 825 0.687 11.724 15.019 1.00 0.00 H new ATOM 0 HA PHE A 825 3.185 11.558 13.929 1.00 0.00 H new ATOM 0 HB2 PHE A 825 2.724 12.455 16.150 1.00 0.00 H new ATOM 0 HB3 PHE A 825 2.222 10.880 16.733 1.00 0.00 H new ATOM 0 HD1 PHE A 825 5.100 12.948 15.760 1.00 0.00 H new ATOM 0 HD2 PHE A 825 3.860 9.166 17.279 1.00 0.00 H new ATOM 0 HE1 PHE A 825 7.408 12.470 16.452 1.00 0.00 H new ATOM 0 HE2 PHE A 825 6.167 8.685 17.970 1.00 0.00 H new ATOM 0 HZ PHE A 825 7.947 10.335 17.554 1.00 0.00 H new ATOM 357 N GLN A 826 2.314 8.609 15.174 1.00 0.00 N ATOM 358 CA GLN A 826 2.580 7.179 15.084 1.00 0.00 C ATOM 359 C GLN A 826 2.180 6.635 13.717 1.00 0.00 C ATOM 360 O GLN A 826 2.956 5.937 13.064 1.00 0.00 O ATOM 361 CB GLN A 826 1.827 6.428 16.185 1.00 0.00 C ATOM 362 CG GLN A 826 2.277 6.797 17.589 1.00 0.00 C ATOM 363 CD GLN A 826 3.677 6.304 17.902 1.00 0.00 C ATOM 364 OE1 GLN A 826 4.612 6.528 17.132 1.00 0.00 O ATOM 365 NE2 GLN A 826 3.828 5.630 19.036 1.00 0.00 N ATOM 0 H GLN A 826 1.594 8.863 15.851 1.00 0.00 H new ATOM 0 HA GLN A 826 3.651 7.026 15.216 1.00 0.00 H new ATOM 0 HB2 GLN A 826 0.761 6.632 16.089 1.00 0.00 H new ATOM 0 HB3 GLN A 826 1.961 5.356 16.039 1.00 0.00 H new ATOM 0 HG2 GLN A 826 2.243 7.880 17.704 1.00 0.00 H new ATOM 0 HG3 GLN A 826 1.578 6.377 18.313 1.00 0.00 H new ATOM 0 HE21 GLN A 826 3.025 5.468 19.644 1.00 0.00 H new ATOM 0 HE22 GLN A 826 4.747 5.274 19.299 1.00 0.00 H new ATOM 374 N ASP A 827 0.964 6.959 13.290 1.00 0.00 N ATOM 375 CA ASP A 827 0.461 6.504 11.999 1.00 0.00 C ATOM 376 C ASP A 827 1.586 6.434 10.971 1.00 0.00 C ATOM 377 O ASP A 827 1.579 5.578 10.086 1.00 0.00 O ATOM 378 CB ASP A 827 -0.645 7.436 11.501 1.00 0.00 C ATOM 379 CG ASP A 827 -1.988 7.132 12.135 1.00 0.00 C ATOM 380 OD1 ASP A 827 -2.077 7.168 13.380 1.00 0.00 O ATOM 381 OD2 ASP A 827 -2.949 6.858 11.386 1.00 0.00 O ATOM 0 H ASP A 827 0.309 7.535 13.819 1.00 0.00 H new ATOM 0 HA ASP A 827 0.050 5.503 12.130 1.00 0.00 H new ATOM 0 HB2 ASP A 827 -0.370 8.469 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 827 -0.730 7.348 10.418 1.00 0.00 H new ATOM 386 N ARG A 828 2.550 7.341 11.093 1.00 0.00 N ATOM 387 CA ARG A 828 3.680 7.383 10.174 1.00 0.00 C ATOM 388 C ARG A 828 4.549 6.138 10.322 1.00 0.00 C ATOM 389 O ARG A 828 4.560 5.270 9.449 1.00 0.00 O ATOM 390 CB ARG A 828 4.521 8.637 10.422 1.00 0.00 C ATOM 391 CG ARG A 828 3.793 9.932 10.098 1.00 0.00 C ATOM 392 CD ARG A 828 4.760 11.015 9.647 1.00 0.00 C ATOM 393 NE ARG A 828 5.367 11.713 10.778 1.00 0.00 N ATOM 394 CZ ARG A 828 4.764 12.689 11.448 1.00 0.00 C ATOM 395 NH1 ARG A 828 3.545 13.080 11.104 1.00 0.00 N ATOM 396 NH2 ARG A 828 5.381 13.275 12.466 1.00 0.00 N ATOM 0 H ARG A 828 2.571 8.057 11.820 1.00 0.00 H new ATOM 0 HA ARG A 828 3.287 7.412 9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.831 8.656 11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.429 8.580 9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 828 3.057 9.751 9.315 1.00 0.00 H new ATOM 0 HG3 ARG A 828 3.246 10.273 10.977 1.00 0.00 H new ATOM 0 HD2 ARG A 828 5.543 10.569 9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 828 4.233 11.733 9.019 1.00 0.00 H new ATOM 0 HE ARG A 828 6.305 11.436 11.069 1.00 0.00 H new ATOM 0 HH11 ARG A 828 3.067 12.631 10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 828 3.085 13.830 11.621 1.00 0.00 H new ATOM 0 HH21 ARG A 828 6.319 12.976 12.734 1.00 0.00 H new ATOM 0 HH22 ARG A 828 4.918 14.024 12.980 1.00 0.00 H new ATOM 410 N GLN A 829 5.275 6.058 11.433 1.00 0.00 N ATOM 411 CA GLN A 829 6.147 4.919 11.694 1.00 0.00 C ATOM 412 C GLN A 829 5.488 3.616 11.254 1.00 0.00 C ATOM 413 O GLN A 829 6.161 2.691 10.799 1.00 0.00 O ATOM 414 CB GLN A 829 6.499 4.850 13.181 1.00 0.00 C ATOM 415 CG GLN A 829 5.312 4.523 14.073 1.00 0.00 C ATOM 416 CD GLN A 829 5.730 3.951 15.413 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.917 3.762 15.678 1.00 0.00 O ATOM 418 NE2 GLN A 829 4.753 3.673 16.268 1.00 0.00 N ATOM 0 H GLN A 829 5.276 6.768 12.166 1.00 0.00 H new ATOM 0 HA GLN A 829 7.062 5.054 11.117 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.272 4.096 13.328 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.923 5.805 13.490 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.724 5.427 14.235 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.665 3.809 13.563 1.00 0.00 H new ATOM 0 HE21 GLN A 829 3.782 3.846 16.007 1.00 0.00 H new ATOM 0 HE22 GLN A 829 4.973 3.287 17.186 1.00 0.00 H new ATOM 427 N TYR A 830 4.169 3.549 11.395 1.00 0.00 N ATOM 428 CA TYR A 830 3.419 2.358 11.015 1.00 0.00 C ATOM 429 C TYR A 830 3.390 2.193 9.498 1.00 0.00 C ATOM 430 O TYR A 830 3.593 1.095 8.980 1.00 0.00 O ATOM 431 CB TYR A 830 1.991 2.435 11.557 1.00 0.00 C ATOM 432 CG TYR A 830 1.876 2.057 13.017 1.00 0.00 C ATOM 433 CD1 TYR A 830 1.981 0.732 13.422 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.662 3.024 13.991 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.877 0.381 14.754 1.00 0.00 C ATOM 436 CE2 TYR A 830 1.558 2.683 15.325 1.00 0.00 C ATOM 437 CZ TYR A 830 1.666 1.361 15.702 1.00 0.00 C ATOM 438 OH TYR A 830 1.561 1.017 17.030 1.00 0.00 O ATOM 0 H TYR A 830 3.597 4.306 11.770 1.00 0.00 H new ATOM 0 HA TYR A 830 3.919 1.491 11.447 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.614 3.449 11.422 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.352 1.777 10.968 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.147 -0.037 12.682 1.00 0.00 H new ATOM 0 HD2 TYR A 830 1.575 4.060 13.700 1.00 0.00 H new ATOM 0 HE1 TYR A 830 1.960 -0.654 15.051 1.00 0.00 H new ATOM 0 HE2 TYR A 830 1.393 3.448 16.069 1.00 0.00 H new ATOM 0 HH TYR A 830 1.415 1.824 17.566 1.00 0.00 H new ATOM 448 N GLN A 831 3.138 3.292 8.794 1.00 0.00 N ATOM 449 CA GLN A 831 3.083 3.269 7.338 1.00 0.00 C ATOM 450 C GLN A 831 4.408 2.792 6.750 1.00 0.00 C ATOM 451 O GLN A 831 4.434 2.130 5.712 1.00 0.00 O ATOM 452 CB GLN A 831 2.744 4.659 6.797 1.00 0.00 C ATOM 453 CG GLN A 831 1.257 4.973 6.818 1.00 0.00 C ATOM 454 CD GLN A 831 0.437 3.968 6.034 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.849 3.511 4.967 1.00 0.00 O ATOM 456 NE2 GLN A 831 -0.732 3.618 6.558 1.00 0.00 N ATOM 0 H GLN A 831 2.969 4.209 9.208 1.00 0.00 H new ATOM 0 HA GLN A 831 2.301 2.570 7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.274 5.408 7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.110 4.741 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.909 4.994 7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.094 5.969 6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -1.035 4.021 7.445 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.327 2.946 6.074 1.00 0.00 H new ATOM 465 N ILE A 832 5.503 3.133 7.420 1.00 0.00 N ATOM 466 CA ILE A 832 6.830 2.738 6.964 1.00 0.00 C ATOM 467 C ILE A 832 7.049 1.239 7.140 1.00 0.00 C ATOM 468 O ILE A 832 7.324 0.525 6.176 1.00 0.00 O ATOM 469 CB ILE A 832 7.935 3.499 7.722 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.882 4.990 7.383 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.302 2.921 7.386 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.799 5.741 8.126 1.00 0.00 C ATOM 0 H ILE A 832 5.498 3.682 8.280 1.00 0.00 H new ATOM 0 HA ILE A 832 6.887 2.989 5.905 1.00 0.00 H new ATOM 0 HB ILE A 832 7.767 3.383 8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.848 5.441 7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.722 5.105 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.072 3.469 7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.333 1.870 7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.481 3.009 6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.820 6.792 7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.826 5.316 7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 832 6.969 5.657 9.199 1.00 0.00 H new ATOM 484 N ASP A 833 6.923 0.770 8.376 1.00 0.00 N ATOM 485 CA ASP A 833 7.104 -0.645 8.678 1.00 0.00 C ATOM 486 C ASP A 833 6.132 -1.502 7.872 1.00 0.00 C ATOM 487 O ASP A 833 6.514 -2.527 7.309 1.00 0.00 O ATOM 488 CB ASP A 833 6.907 -0.899 10.174 1.00 0.00 C ATOM 489 CG ASP A 833 5.469 -1.236 10.519 1.00 0.00 C ATOM 490 OD1 ASP A 833 4.958 -2.253 10.005 1.00 0.00 O ATOM 491 OD2 ASP A 833 4.856 -0.483 11.304 1.00 0.00 O ATOM 0 H ASP A 833 6.696 1.349 9.185 1.00 0.00 H new ATOM 0 HA ASP A 833 8.121 -0.923 8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.555 -1.717 10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 833 7.214 -0.015 10.733 1.00 0.00 H new ATOM 496 N ALA A 834 4.875 -1.074 7.823 1.00 0.00 N ATOM 497 CA ALA A 834 3.849 -1.800 7.085 1.00 0.00 C ATOM 498 C ALA A 834 4.230 -1.948 5.616 1.00 0.00 C ATOM 499 O ALA A 834 4.182 -3.045 5.060 1.00 0.00 O ATOM 500 CB ALA A 834 2.507 -1.097 7.216 1.00 0.00 C ATOM 0 H ALA A 834 4.543 -0.228 8.286 1.00 0.00 H new ATOM 0 HA ALA A 834 3.767 -2.799 7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.750 -1.650 6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.222 -1.049 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.585 -0.086 6.815 1.00 0.00 H new ATOM 506 N ALA A 835 4.608 -0.837 4.993 1.00 0.00 N ATOM 507 CA ALA A 835 4.998 -0.844 3.588 1.00 0.00 C ATOM 508 C ALA A 835 6.148 -1.814 3.343 1.00 0.00 C ATOM 509 O ALA A 835 6.131 -2.580 2.379 1.00 0.00 O ATOM 510 CB ALA A 835 5.385 0.559 3.141 1.00 0.00 C ATOM 0 H ALA A 835 4.653 0.079 5.439 1.00 0.00 H new ATOM 0 HA ALA A 835 4.143 -1.178 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.674 0.539 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.536 1.230 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.223 0.914 3.741 1.00 0.00 H new ATOM 516 N ILE A 836 7.146 -1.777 4.220 1.00 0.00 N ATOM 517 CA ILE A 836 8.303 -2.654 4.098 1.00 0.00 C ATOM 518 C ILE A 836 7.886 -4.121 4.118 1.00 0.00 C ATOM 519 O ILE A 836 8.115 -4.856 3.158 1.00 0.00 O ATOM 520 CB ILE A 836 9.320 -2.405 5.227 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.821 -0.960 5.183 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.484 -3.378 5.116 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.475 -0.508 6.470 1.00 0.00 C ATOM 0 H ILE A 836 7.176 -1.149 5.023 1.00 0.00 H new ATOM 0 HA ILE A 836 8.772 -2.426 3.141 1.00 0.00 H new ATOM 0 HB ILE A 836 8.825 -2.569 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.535 -0.856 4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.983 -0.300 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.194 -3.189 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.113 -4.400 5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.981 -3.243 4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.806 0.525 6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.757 -0.579 7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.334 -1.144 6.685 1.00 0.00 H new ATOM 535 N VAL A 837 7.271 -4.540 5.219 1.00 0.00 N ATOM 536 CA VAL A 837 6.819 -5.918 5.365 1.00 0.00 C ATOM 537 C VAL A 837 6.001 -6.359 4.156 1.00 0.00 C ATOM 538 O VAL A 837 6.118 -7.494 3.695 1.00 0.00 O ATOM 539 CB VAL A 837 5.971 -6.100 6.638 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.360 -7.492 6.679 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.812 -5.841 7.879 1.00 0.00 C ATOM 0 H VAL A 837 7.074 -3.944 6.023 1.00 0.00 H new ATOM 0 HA VAL A 837 7.713 -6.537 5.442 1.00 0.00 H new ATOM 0 HB VAL A 837 5.158 -5.374 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.765 -7.601 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.722 -7.635 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.154 -8.238 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.197 -5.974 8.769 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.646 -6.542 7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.196 -4.821 7.852 1.00 0.00 H new ATOM 551 N ARG A 838 5.173 -5.452 3.646 1.00 0.00 N ATOM 552 CA ARG A 838 4.335 -5.747 2.491 1.00 0.00 C ATOM 553 C ARG A 838 5.188 -6.050 1.263 1.00 0.00 C ATOM 554 O ARG A 838 4.929 -7.010 0.536 1.00 0.00 O ATOM 555 CB ARG A 838 3.401 -4.571 2.198 1.00 0.00 C ATOM 556 CG ARG A 838 2.154 -4.553 3.067 1.00 0.00 C ATOM 557 CD ARG A 838 1.223 -5.708 2.732 1.00 0.00 C ATOM 558 NE ARG A 838 -0.034 -5.631 3.471 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.077 -4.911 3.073 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.014 -4.211 1.949 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.187 -4.892 3.800 1.00 0.00 N ATOM 0 H ARG A 838 5.065 -4.507 4.015 1.00 0.00 H new ATOM 0 HA ARG A 838 3.737 -6.628 2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.948 -3.639 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 838 3.103 -4.607 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 838 2.441 -4.608 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 838 1.627 -3.609 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 838 1.015 -5.707 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.720 -6.651 2.959 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.116 -6.159 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.163 -4.224 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.817 -3.659 1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -2.240 -5.430 4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -2.988 -4.339 3.494 1.00 0.00 H new ATOM 575 N ILE A 839 6.206 -5.226 1.038 1.00 0.00 N ATOM 576 CA ILE A 839 7.097 -5.406 -0.101 1.00 0.00 C ATOM 577 C ILE A 839 7.898 -6.698 0.026 1.00 0.00 C ATOM 578 O ILE A 839 7.977 -7.486 -0.915 1.00 0.00 O ATOM 579 CB ILE A 839 8.072 -4.223 -0.246 1.00 0.00 C ATOM 580 CG1 ILE A 839 7.299 -2.914 -0.415 1.00 0.00 C ATOM 581 CG2 ILE A 839 9.007 -4.449 -1.425 1.00 0.00 C ATOM 582 CD1 ILE A 839 8.035 -1.704 0.115 1.00 0.00 C ATOM 0 H ILE A 839 6.434 -4.427 1.630 1.00 0.00 H new ATOM 0 HA ILE A 839 6.467 -5.458 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 839 8.673 -4.153 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 839 7.083 -2.763 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 839 6.340 -2.999 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.690 -3.604 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.579 -5.363 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.423 -4.542 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 839 7.427 -0.812 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 839 8.228 -1.833 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.982 -1.593 -0.414 1.00 0.00 H new ATOM 594 N MET A 840 8.488 -6.908 1.198 1.00 0.00 N ATOM 595 CA MET A 840 9.280 -8.106 1.451 1.00 0.00 C ATOM 596 C MET A 840 8.438 -9.364 1.260 1.00 0.00 C ATOM 597 O MET A 840 8.855 -10.306 0.586 1.00 0.00 O ATOM 598 CB MET A 840 9.857 -8.074 2.867 1.00 0.00 C ATOM 599 CG MET A 840 10.602 -6.789 3.191 1.00 0.00 C ATOM 600 SD MET A 840 12.207 -6.693 2.376 1.00 0.00 S ATOM 601 CE MET A 840 13.284 -6.417 3.780 1.00 0.00 C ATOM 0 H MET A 840 8.433 -6.264 1.987 1.00 0.00 H new ATOM 0 HA MET A 840 10.101 -8.127 0.734 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.046 -8.205 3.584 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.534 -8.919 2.994 1.00 0.00 H new ATOM 0 HG2 MET A 840 9.994 -5.936 2.890 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.742 -6.717 4.270 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.071 -5.716 3.502 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.706 -6.004 4.607 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.731 -7.362 4.087 1.00 0.00 H new ATOM 611 N LYS A 841 7.253 -9.374 1.860 1.00 0.00 N ATOM 612 CA LYS A 841 6.351 -10.515 1.756 1.00 0.00 C ATOM 613 C LYS A 841 6.134 -10.906 0.298 1.00 0.00 C ATOM 614 O LYS A 841 6.394 -12.043 -0.095 1.00 0.00 O ATOM 615 CB LYS A 841 5.008 -10.192 2.414 1.00 0.00 C ATOM 616 CG LYS A 841 4.237 -11.423 2.859 1.00 0.00 C ATOM 617 CD LYS A 841 3.093 -11.058 3.790 1.00 0.00 C ATOM 618 CE LYS A 841 3.585 -10.808 5.207 1.00 0.00 C ATOM 619 NZ LYS A 841 2.607 -10.015 6.002 1.00 0.00 N ATOM 0 H LYS A 841 6.894 -8.604 2.424 1.00 0.00 H new ATOM 0 HA LYS A 841 6.809 -11.357 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.181 -9.550 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.396 -9.624 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 841 3.844 -11.943 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.912 -12.113 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.589 -10.167 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.357 -11.862 3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 841 3.767 -11.762 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 841 4.538 -10.280 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 2.979 -9.866 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.453 -9.094 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.705 -10.530 6.057 1.00 0.00 H new ATOM 633 N MET A 842 5.656 -9.956 -0.500 1.00 0.00 N ATOM 634 CA MET A 842 5.407 -10.202 -1.916 1.00 0.00 C ATOM 635 C MET A 842 6.694 -10.595 -2.634 1.00 0.00 C ATOM 636 O MET A 842 6.680 -11.430 -3.539 1.00 0.00 O ATOM 637 CB MET A 842 4.803 -8.959 -2.572 1.00 0.00 C ATOM 638 CG MET A 842 3.415 -8.613 -2.056 1.00 0.00 C ATOM 639 SD MET A 842 2.159 -9.787 -2.601 1.00 0.00 S ATOM 640 CE MET A 842 0.748 -9.243 -1.642 1.00 0.00 C ATOM 0 H MET A 842 5.434 -9.010 -0.190 1.00 0.00 H new ATOM 0 HA MET A 842 4.700 -11.028 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.466 -8.111 -2.403 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.753 -9.115 -3.650 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.433 -8.586 -0.966 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.144 -7.613 -2.395 1.00 0.00 H new ATOM 0 HE1 MET A 842 -0.111 -9.874 -1.869 1.00 0.00 H new ATOM 0 HE2 MET A 842 0.980 -9.316 -0.580 1.00 0.00 H new ATOM 0 HE3 MET A 842 0.515 -8.208 -1.893 1.00 0.00 H new ATOM 650 N ARG A 843 7.804 -9.989 -2.226 1.00 0.00 N ATOM 651 CA ARG A 843 9.098 -10.276 -2.832 1.00 0.00 C ATOM 652 C ARG A 843 9.983 -11.068 -1.875 1.00 0.00 C ATOM 653 O ARG A 843 10.724 -10.493 -1.077 1.00 0.00 O ATOM 654 CB ARG A 843 9.797 -8.975 -3.232 1.00 0.00 C ATOM 655 CG ARG A 843 8.940 -8.062 -4.092 1.00 0.00 C ATOM 656 CD ARG A 843 8.800 -8.600 -5.508 1.00 0.00 C ATOM 657 NE ARG A 843 7.691 -7.976 -6.224 1.00 0.00 N ATOM 658 CZ ARG A 843 7.110 -8.514 -7.291 1.00 0.00 C ATOM 659 NH1 ARG A 843 7.531 -9.679 -7.763 1.00 0.00 N ATOM 660 NH2 ARG A 843 6.105 -7.885 -7.888 1.00 0.00 N ATOM 0 H ARG A 843 7.833 -9.296 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 843 8.928 -10.878 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.092 -8.439 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.712 -9.216 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.953 -7.958 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.383 -7.067 -4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.727 -8.427 -6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.647 -9.679 -5.472 1.00 0.00 H new ATOM 0 HE ARG A 843 7.343 -7.078 -5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.303 -10.165 -7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 843 7.083 -10.089 -8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 843 5.779 -6.988 -7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 843 5.659 -8.298 -8.707 1.00 0.00 H new ATOM 674 N LYS A 844 9.901 -12.392 -1.959 1.00 0.00 N ATOM 675 CA LYS A 844 10.694 -13.265 -1.102 1.00 0.00 C ATOM 676 C LYS A 844 12.063 -12.654 -0.821 1.00 0.00 C ATOM 677 O LYS A 844 12.425 -12.418 0.333 1.00 0.00 O ATOM 678 CB LYS A 844 10.861 -14.639 -1.754 1.00 0.00 C ATOM 679 CG LYS A 844 9.766 -15.625 -1.384 1.00 0.00 C ATOM 680 CD LYS A 844 8.412 -15.175 -1.906 1.00 0.00 C ATOM 681 CE LYS A 844 7.511 -16.361 -2.213 1.00 0.00 C ATOM 682 NZ LYS A 844 6.076 -15.968 -2.269 1.00 0.00 N ATOM 0 H LYS A 844 9.292 -12.884 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 844 10.166 -13.381 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 844 10.879 -14.518 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.826 -15.055 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 844 10.006 -16.607 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.722 -15.732 -0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 844 7.931 -14.533 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.549 -14.578 -2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.804 -16.803 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 844 7.648 -17.128 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 5.495 -16.804 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 5.789 -15.570 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 5.940 -15.255 -3.014 1.00 0.00 H new ATOM 696 N THR A 845 12.821 -12.397 -1.882 1.00 0.00 N ATOM 697 CA THR A 845 14.149 -11.812 -1.750 1.00 0.00 C ATOM 698 C THR A 845 14.229 -10.461 -2.451 1.00 0.00 C ATOM 699 O THR A 845 13.924 -10.349 -3.640 1.00 0.00 O ATOM 700 CB THR A 845 15.232 -12.743 -2.328 1.00 0.00 C ATOM 701 OG1 THR A 845 15.053 -14.073 -1.829 1.00 0.00 O ATOM 702 CG2 THR A 845 16.623 -12.243 -1.968 1.00 0.00 C ATOM 0 H THR A 845 12.537 -12.585 -2.843 1.00 0.00 H new ATOM 0 HA THR A 845 14.329 -11.675 -0.684 1.00 0.00 H new ATOM 0 HB THR A 845 15.134 -12.748 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.759 -14.277 -1.180 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.371 -12.916 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.767 -11.242 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.729 -12.212 -0.884 1.00 0.00 H new ATOM 710 N LEU A 846 14.640 -9.439 -1.710 1.00 0.00 N ATOM 711 CA LEU A 846 14.760 -8.094 -2.262 1.00 0.00 C ATOM 712 C LEU A 846 15.935 -7.350 -1.634 1.00 0.00 C ATOM 713 O LEU A 846 16.303 -7.607 -0.488 1.00 0.00 O ATOM 714 CB LEU A 846 13.466 -7.310 -2.035 1.00 0.00 C ATOM 715 CG LEU A 846 13.147 -6.228 -3.067 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.574 -6.849 -4.332 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.179 -5.207 -2.487 1.00 0.00 C ATOM 0 H LEU A 846 14.896 -9.515 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 846 14.940 -8.183 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.636 -8.016 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.516 -6.843 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 846 14.073 -5.715 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.353 -6.064 -5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.300 -7.541 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.658 -7.388 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.963 -4.444 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.253 -5.706 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.626 -4.739 -1.610 1.00 0.00 H new ATOM 729 N SER A 847 16.518 -6.427 -2.392 1.00 0.00 N ATOM 730 CA SER A 847 17.652 -5.647 -1.911 1.00 0.00 C ATOM 731 C SER A 847 17.185 -4.328 -1.304 1.00 0.00 C ATOM 732 O SER A 847 16.044 -3.910 -1.501 1.00 0.00 O ATOM 733 CB SER A 847 18.634 -5.378 -3.052 1.00 0.00 C ATOM 734 OG SER A 847 18.053 -4.544 -4.039 1.00 0.00 O ATOM 0 H SER A 847 16.224 -6.201 -3.342 1.00 0.00 H new ATOM 0 HA SER A 847 18.157 -6.225 -1.137 1.00 0.00 H new ATOM 0 HB2 SER A 847 19.534 -4.907 -2.658 1.00 0.00 H new ATOM 0 HB3 SER A 847 18.940 -6.322 -3.503 1.00 0.00 H new ATOM 0 HG SER A 847 18.753 -4.008 -4.468 1.00 0.00 H new ATOM 740 N HIS A 848 18.077 -3.675 -0.565 1.00 0.00 N ATOM 741 CA HIS A 848 17.758 -2.402 0.071 1.00 0.00 C ATOM 742 C HIS A 848 17.235 -1.399 -0.953 1.00 0.00 C ATOM 743 O HIS A 848 16.098 -0.939 -0.861 1.00 0.00 O ATOM 744 CB HIS A 848 18.992 -1.835 0.774 1.00 0.00 C ATOM 745 CG HIS A 848 18.685 -0.701 1.702 1.00 0.00 C ATOM 746 ND1 HIS A 848 17.975 0.435 1.507 1.00 0.00 N flip ATOM 747 CD2 HIS A 848 19.128 -0.655 3.007 1.00 0.00 C flip ATOM 748 CE1 HIS A 848 18.001 1.139 2.686 1.00 0.00 C flip ATOM 749 NE2 HIS A 848 18.702 0.459 3.575 1.00 0.00 N flip ATOM 0 H HIS A 848 19.026 -4.007 -0.392 1.00 0.00 H new ATOM 0 HA HIS A 848 16.978 -2.579 0.811 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.478 -2.632 1.336 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.704 -1.496 0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 848 19.729 -1.411 3.489 1.00 0.00 H new ATOM 0 HE1 HIS A 848 17.526 2.093 2.858 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.884 0.745 4.537 1.00 0.00 H new ATOM 757 N ASN A 849 18.074 -1.064 -1.928 1.00 0.00 N ATOM 758 CA ASN A 849 17.697 -0.115 -2.969 1.00 0.00 C ATOM 759 C ASN A 849 16.293 -0.409 -3.490 1.00 0.00 C ATOM 760 O ASN A 849 15.430 0.470 -3.510 1.00 0.00 O ATOM 761 CB ASN A 849 18.702 -0.164 -4.121 1.00 0.00 C ATOM 762 CG ASN A 849 18.691 1.105 -4.952 1.00 0.00 C ATOM 763 OD1 ASN A 849 18.588 2.209 -4.417 1.00 0.00 O ATOM 764 ND2 ASN A 849 18.796 0.952 -6.267 1.00 0.00 N ATOM 0 H ASN A 849 19.019 -1.436 -2.019 1.00 0.00 H new ATOM 0 HA ASN A 849 17.702 0.885 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.703 -0.324 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.475 -1.016 -4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 849 18.793 1.769 -6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 849 18.879 0.017 -6.667 1.00 0.00 H new ATOM 771 N LEU A 850 16.072 -1.649 -3.911 1.00 0.00 N ATOM 772 CA LEU A 850 14.773 -2.060 -4.433 1.00 0.00 C ATOM 773 C LEU A 850 13.691 -1.924 -3.367 1.00 0.00 C ATOM 774 O LEU A 850 12.553 -1.558 -3.666 1.00 0.00 O ATOM 775 CB LEU A 850 14.836 -3.505 -4.931 1.00 0.00 C ATOM 776 CG LEU A 850 15.237 -3.694 -6.394 1.00 0.00 C ATOM 777 CD1 LEU A 850 14.197 -3.079 -7.317 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.608 -3.087 -6.653 1.00 0.00 C ATOM 0 H LEU A 850 16.775 -2.388 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 850 14.520 -1.406 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.543 -4.052 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.858 -3.963 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 850 15.289 -4.763 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.500 -3.224 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 850 13.233 -3.559 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.112 -2.012 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.878 -3.231 -7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.582 -2.021 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.348 -3.574 -6.018 1.00 0.00 H new ATOM 790 N LEU A 851 14.052 -2.218 -2.123 1.00 0.00 N ATOM 791 CA LEU A 851 13.113 -2.126 -1.011 1.00 0.00 C ATOM 792 C LEU A 851 12.672 -0.682 -0.788 1.00 0.00 C ATOM 793 O LEU A 851 11.535 -0.316 -1.084 1.00 0.00 O ATOM 794 CB LEU A 851 13.747 -2.680 0.266 1.00 0.00 C ATOM 795 CG LEU A 851 12.980 -2.421 1.563 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.645 -3.148 1.548 1.00 0.00 C ATOM 797 CD2 LEU A 851 13.809 -2.848 2.766 1.00 0.00 C ATOM 0 H LEU A 851 14.989 -2.522 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 851 12.234 -2.721 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 851 13.870 -3.757 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.745 -2.254 0.366 1.00 0.00 H new ATOM 0 HG LEU A 851 12.786 -1.351 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.113 -2.952 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.048 -2.794 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 851 11.815 -4.220 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.248 -2.657 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.034 -3.912 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 851 14.740 -2.281 2.786 1.00 0.00 H new ATOM 809 N VAL A 852 13.582 0.135 -0.266 1.00 0.00 N ATOM 810 CA VAL A 852 13.289 1.539 -0.007 1.00 0.00 C ATOM 811 C VAL A 852 12.471 2.148 -1.140 1.00 0.00 C ATOM 812 O VAL A 852 11.501 2.869 -0.902 1.00 0.00 O ATOM 813 CB VAL A 852 14.581 2.358 0.176 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.355 1.868 1.391 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.439 2.286 -1.078 1.00 0.00 C ATOM 0 H VAL A 852 14.528 -0.152 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 852 12.710 1.576 0.916 1.00 0.00 H new ATOM 0 HB VAL A 852 14.310 3.400 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.265 2.458 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.738 1.976 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.617 0.819 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.348 2.870 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.703 1.248 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.882 2.689 -1.924 1.00 0.00 H new ATOM 825 N SER A 853 12.868 1.853 -2.374 1.00 0.00 N ATOM 826 CA SER A 853 12.173 2.375 -3.546 1.00 0.00 C ATOM 827 C SER A 853 10.688 2.031 -3.494 1.00 0.00 C ATOM 828 O SER A 853 9.834 2.915 -3.539 1.00 0.00 O ATOM 829 CB SER A 853 12.795 1.812 -4.825 1.00 0.00 C ATOM 830 OG SER A 853 12.643 2.716 -5.906 1.00 0.00 O ATOM 0 H SER A 853 13.667 1.256 -2.588 1.00 0.00 H new ATOM 0 HA SER A 853 12.276 3.460 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.854 1.611 -4.661 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.325 0.860 -5.074 1.00 0.00 H new ATOM 0 HG SER A 853 13.050 2.334 -6.711 1.00 0.00 H new ATOM 836 N GLU A 854 10.389 0.739 -3.400 1.00 0.00 N ATOM 837 CA GLU A 854 9.007 0.277 -3.344 1.00 0.00 C ATOM 838 C GLU A 854 8.238 0.997 -2.239 1.00 0.00 C ATOM 839 O GLU A 854 7.113 1.452 -2.446 1.00 0.00 O ATOM 840 CB GLU A 854 8.960 -1.234 -3.112 1.00 0.00 C ATOM 841 CG GLU A 854 9.325 -2.050 -4.340 1.00 0.00 C ATOM 842 CD GLU A 854 8.292 -1.939 -5.444 1.00 0.00 C ATOM 843 OE1 GLU A 854 8.319 -0.931 -6.182 1.00 0.00 O ATOM 844 OE2 GLU A 854 7.456 -2.858 -5.570 1.00 0.00 O ATOM 0 H GLU A 854 11.085 -0.006 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 854 8.535 0.505 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.641 -1.490 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.958 -1.512 -2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.292 -1.718 -4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.436 -3.096 -4.056 1.00 0.00 H new ATOM 851 N VAL A 855 8.853 1.095 -1.065 1.00 0.00 N ATOM 852 CA VAL A 855 8.228 1.759 0.072 1.00 0.00 C ATOM 853 C VAL A 855 7.724 3.146 -0.310 1.00 0.00 C ATOM 854 O VAL A 855 6.554 3.471 -0.107 1.00 0.00 O ATOM 855 CB VAL A 855 9.207 1.888 1.254 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.625 2.787 2.335 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.547 0.516 1.816 1.00 0.00 C ATOM 0 H VAL A 855 9.784 0.723 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 855 7.384 1.140 0.375 1.00 0.00 H new ATOM 0 HB VAL A 855 10.128 2.346 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.331 2.866 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.438 3.778 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.689 2.362 2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.240 0.626 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.636 0.029 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 855 10.010 -0.091 1.038 1.00 0.00 H new ATOM 867 N TYR A 856 8.614 3.961 -0.865 1.00 0.00 N ATOM 868 CA TYR A 856 8.261 5.315 -1.274 1.00 0.00 C ATOM 869 C TYR A 856 7.058 5.303 -2.213 1.00 0.00 C ATOM 870 O TYR A 856 6.143 6.115 -2.078 1.00 0.00 O ATOM 871 CB TYR A 856 9.450 5.990 -1.959 1.00 0.00 C ATOM 872 CG TYR A 856 10.623 6.233 -1.036 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.470 6.964 0.136 1.00 0.00 C ATOM 874 CD2 TYR A 856 11.883 5.730 -1.335 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.539 7.189 0.981 1.00 0.00 C ATOM 876 CE2 TYR A 856 12.957 5.948 -0.494 1.00 0.00 C ATOM 877 CZ TYR A 856 12.780 6.679 0.663 1.00 0.00 C ATOM 878 OH TYR A 856 13.847 6.899 1.503 1.00 0.00 O ATOM 0 H TYR A 856 9.586 3.707 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 856 7.997 5.880 -0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.778 5.370 -2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.125 6.942 -2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.499 7.363 0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.025 5.159 -2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.404 7.762 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 856 13.930 5.549 -0.741 1.00 0.00 H new ATOM 0 HH TYR A 856 14.648 6.471 1.134 1.00 0.00 H new ATOM 888 N ASN A 857 7.068 4.376 -3.165 1.00 0.00 N ATOM 889 CA ASN A 857 5.978 4.257 -4.127 1.00 0.00 C ATOM 890 C ASN A 857 4.659 3.958 -3.422 1.00 0.00 C ATOM 891 O ASN A 857 3.591 4.345 -3.894 1.00 0.00 O ATOM 892 CB ASN A 857 6.286 3.157 -5.145 1.00 0.00 C ATOM 893 CG ASN A 857 5.124 2.894 -6.082 1.00 0.00 C ATOM 894 OD1 ASN A 857 4.420 3.818 -6.491 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.917 1.629 -6.428 1.00 0.00 N ATOM 0 H ASN A 857 7.818 3.697 -3.291 1.00 0.00 H new ATOM 0 HA ASN A 857 5.882 5.209 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.162 3.441 -5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.538 2.238 -4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 857 4.150 1.391 -7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 857 5.525 0.895 -6.065 1.00 0.00 H new ATOM 902 N GLN A 858 4.744 3.268 -2.289 1.00 0.00 N ATOM 903 CA GLN A 858 3.556 2.918 -1.518 1.00 0.00 C ATOM 904 C GLN A 858 3.113 4.084 -0.641 1.00 0.00 C ATOM 905 O GLN A 858 1.918 4.337 -0.483 1.00 0.00 O ATOM 906 CB GLN A 858 3.830 1.687 -0.652 1.00 0.00 C ATOM 907 CG GLN A 858 3.916 0.392 -1.444 1.00 0.00 C ATOM 908 CD GLN A 858 3.966 -0.834 -0.555 1.00 0.00 C ATOM 909 OE1 GLN A 858 4.724 -0.881 0.415 1.00 0.00 O ATOM 910 NE2 GLN A 858 3.157 -1.835 -0.880 1.00 0.00 N ATOM 0 H GLN A 858 5.621 2.941 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 858 2.753 2.689 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.765 1.835 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 858 3.041 1.595 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 858 3.055 0.319 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.805 0.415 -2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 858 2.545 -1.753 -1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 858 3.147 -2.686 -0.318 1.00 0.00 H new ATOM 919 N LEU A 859 4.083 4.790 -0.070 1.00 0.00 N ATOM 920 CA LEU A 859 3.793 5.930 0.793 1.00 0.00 C ATOM 921 C LEU A 859 3.750 7.225 -0.012 1.00 0.00 C ATOM 922 O LEU A 859 4.637 7.496 -0.821 1.00 0.00 O ATOM 923 CB LEU A 859 4.844 6.038 1.899 1.00 0.00 C ATOM 924 CG LEU A 859 5.200 4.735 2.616 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.127 5.009 3.790 1.00 0.00 C ATOM 926 CD2 LEU A 859 3.940 4.021 3.082 1.00 0.00 C ATOM 0 H LEU A 859 5.077 4.593 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 859 2.814 5.772 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 859 5.755 6.453 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.489 6.753 2.642 1.00 0.00 H new ATOM 0 HG LEU A 859 5.721 4.085 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.370 4.071 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.043 5.476 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.633 5.677 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.213 3.096 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.391 4.664 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.313 3.791 2.221 1.00 0.00 H new ATOM 938 N LYS A 860 2.712 8.024 0.217 1.00 0.00 N ATOM 939 CA LYS A 860 2.554 9.293 -0.483 1.00 0.00 C ATOM 940 C LYS A 860 3.530 10.335 0.053 1.00 0.00 C ATOM 941 O LYS A 860 3.913 11.265 -0.658 1.00 0.00 O ATOM 942 CB LYS A 860 1.118 9.802 -0.340 1.00 0.00 C ATOM 943 CG LYS A 860 0.854 11.095 -1.091 1.00 0.00 C ATOM 944 CD LYS A 860 0.801 10.867 -2.593 1.00 0.00 C ATOM 945 CE LYS A 860 0.522 12.160 -3.343 1.00 0.00 C ATOM 946 NZ LYS A 860 0.306 11.922 -4.797 1.00 0.00 N ATOM 0 H LYS A 860 1.968 7.814 0.882 1.00 0.00 H new ATOM 0 HA LYS A 860 2.771 9.127 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.432 9.036 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.899 9.954 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 860 -0.089 11.527 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 860 1.636 11.818 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 860 1.747 10.446 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 860 0.026 10.136 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.359 12.643 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 860 1.358 12.846 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 0.119 12.828 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 1.156 11.484 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -0.508 11.288 -4.928 1.00 0.00 H new ATOM 960 N PHE A 861 3.929 10.174 1.310 1.00 0.00 N ATOM 961 CA PHE A 861 4.861 11.101 1.941 1.00 0.00 C ATOM 962 C PHE A 861 6.245 10.473 2.078 1.00 0.00 C ATOM 963 O PHE A 861 6.392 9.260 2.232 1.00 0.00 O ATOM 964 CB PHE A 861 4.342 11.522 3.318 1.00 0.00 C ATOM 965 CG PHE A 861 4.012 10.363 4.214 1.00 0.00 C ATOM 966 CD1 PHE A 861 5.020 9.617 4.803 1.00 0.00 C ATOM 967 CD2 PHE A 861 2.694 10.020 4.467 1.00 0.00 C ATOM 968 CE1 PHE A 861 4.720 8.550 5.628 1.00 0.00 C ATOM 969 CE2 PHE A 861 2.387 8.954 5.292 1.00 0.00 C ATOM 970 CZ PHE A 861 3.401 8.217 5.872 1.00 0.00 C ATOM 0 H PHE A 861 3.621 9.410 1.912 1.00 0.00 H new ATOM 0 HA PHE A 861 4.942 11.983 1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.092 12.145 3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.451 12.137 3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 861 6.052 9.872 4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 861 1.897 10.592 4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 861 5.515 7.977 6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 861 1.355 8.698 5.483 1.00 0.00 H new ATOM 0 HZ PHE A 861 3.164 7.382 6.515 1.00 0.00 H new ATOM 980 N PRO A 862 7.286 11.317 2.019 1.00 0.00 N ATOM 981 CA PRO A 862 8.677 10.868 2.134 1.00 0.00 C ATOM 982 C PRO A 862 9.017 10.390 3.542 1.00 0.00 C ATOM 983 O PRO A 862 8.405 10.820 4.519 1.00 0.00 O ATOM 984 CB PRO A 862 9.484 12.121 1.785 1.00 0.00 C ATOM 985 CG PRO A 862 8.581 13.258 2.118 1.00 0.00 C ATOM 986 CD PRO A 862 7.185 12.775 1.838 1.00 0.00 C ATOM 0 HA PRO A 862 8.885 10.016 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.409 12.169 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.762 12.132 0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.691 13.550 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.819 14.134 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.462 13.216 2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.865 13.033 0.829 1.00 0.00 H new ATOM 994 N VAL A 863 9.999 9.498 3.638 1.00 0.00 N ATOM 995 CA VAL A 863 10.422 8.963 4.926 1.00 0.00 C ATOM 996 C VAL A 863 11.839 9.408 5.267 1.00 0.00 C ATOM 997 O VAL A 863 12.634 9.722 4.381 1.00 0.00 O ATOM 998 CB VAL A 863 10.361 7.424 4.942 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.951 6.879 6.233 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.929 6.946 4.757 1.00 0.00 C ATOM 0 H VAL A 863 10.516 9.131 2.839 1.00 0.00 H new ATOM 0 HA VAL A 863 9.732 9.354 5.673 1.00 0.00 H new ATOM 0 HB VAL A 863 10.956 7.046 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.899 5.790 6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.992 7.192 6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.386 7.264 7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.904 5.856 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.309 7.333 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.546 7.305 3.802 1.00 0.00 H new ATOM 1010 N LYS A 864 12.151 9.433 6.559 1.00 0.00 N ATOM 1011 CA LYS A 864 13.474 9.838 7.020 1.00 0.00 C ATOM 1012 C LYS A 864 14.495 8.731 6.783 1.00 0.00 C ATOM 1013 O LYS A 864 14.159 7.548 6.715 1.00 0.00 O ATOM 1014 CB LYS A 864 13.430 10.197 8.507 1.00 0.00 C ATOM 1015 CG LYS A 864 12.735 11.517 8.794 1.00 0.00 C ATOM 1016 CD LYS A 864 11.245 11.323 9.024 1.00 0.00 C ATOM 1017 CE LYS A 864 10.482 12.628 8.860 1.00 0.00 C ATOM 1018 NZ LYS A 864 10.221 12.943 7.428 1.00 0.00 N ATOM 0 H LYS A 864 11.505 9.177 7.306 1.00 0.00 H new ATOM 0 HA LYS A 864 13.778 10.716 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 864 12.919 9.402 9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 864 14.449 10.241 8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 864 13.182 11.982 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.889 12.200 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 864 10.860 10.584 8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 864 11.079 10.926 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 864 9.535 12.565 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 864 11.051 13.440 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 9.699 13.840 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 11.125 13.029 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 9.656 12.180 7.002 1.00 0.00 H new ATOM 1032 N PRO A 865 15.772 9.119 6.656 1.00 0.00 N ATOM 1033 CA PRO A 865 16.869 8.174 6.427 1.00 0.00 C ATOM 1034 C PRO A 865 17.152 7.307 7.650 1.00 0.00 C ATOM 1035 O PRO A 865 17.254 6.085 7.546 1.00 0.00 O ATOM 1036 CB PRO A 865 18.064 9.082 6.128 1.00 0.00 C ATOM 1037 CG PRO A 865 17.740 10.370 6.803 1.00 0.00 C ATOM 1038 CD PRO A 865 16.245 10.512 6.727 1.00 0.00 C ATOM 0 HA PRO A 865 16.640 7.471 5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 865 18.991 8.656 6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.198 9.220 5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.079 10.364 7.839 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.237 11.205 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 865 15.846 11.028 7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 865 15.940 11.085 5.851 1.00 0.00 H new ATOM 1046 N ALA A 866 17.277 7.948 8.807 1.00 0.00 N ATOM 1047 CA ALA A 866 17.545 7.235 10.050 1.00 0.00 C ATOM 1048 C ALA A 866 16.471 6.189 10.326 1.00 0.00 C ATOM 1049 O ALA A 866 16.756 4.993 10.384 1.00 0.00 O ATOM 1050 CB ALA A 866 17.641 8.214 11.210 1.00 0.00 C ATOM 0 H ALA A 866 17.197 8.960 8.910 1.00 0.00 H new ATOM 0 HA ALA A 866 18.499 6.719 9.945 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.841 7.668 12.132 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.450 8.920 11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.701 8.757 11.307 1.00 0.00 H new ATOM 1056 N ASP A 867 15.235 6.647 10.495 1.00 0.00 N ATOM 1057 CA ASP A 867 14.118 5.750 10.764 1.00 0.00 C ATOM 1058 C ASP A 867 14.060 4.628 9.731 1.00 0.00 C ATOM 1059 O ASP A 867 13.844 3.465 10.074 1.00 0.00 O ATOM 1060 CB ASP A 867 12.801 6.527 10.765 1.00 0.00 C ATOM 1061 CG ASP A 867 12.629 7.373 12.012 1.00 0.00 C ATOM 1062 OD1 ASP A 867 13.116 6.956 13.083 1.00 0.00 O ATOM 1063 OD2 ASP A 867 12.007 8.452 11.915 1.00 0.00 O ATOM 0 H ASP A 867 14.982 7.634 10.450 1.00 0.00 H new ATOM 0 HA ASP A 867 14.270 5.306 11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.761 7.169 9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.969 5.827 10.687 1.00 0.00 H new ATOM 1068 N LEU A 868 14.252 4.985 8.466 1.00 0.00 N ATOM 1069 CA LEU A 868 14.221 4.010 7.382 1.00 0.00 C ATOM 1070 C LEU A 868 15.160 2.843 7.673 1.00 0.00 C ATOM 1071 O LEU A 868 14.786 1.679 7.526 1.00 0.00 O ATOM 1072 CB LEU A 868 14.608 4.674 6.060 1.00 0.00 C ATOM 1073 CG LEU A 868 14.699 3.749 4.846 1.00 0.00 C ATOM 1074 CD1 LEU A 868 13.313 3.468 4.285 1.00 0.00 C ATOM 1075 CD2 LEU A 868 15.595 4.359 3.777 1.00 0.00 C ATOM 0 H LEU A 868 14.431 5.943 8.166 1.00 0.00 H new ATOM 0 HA LEU A 868 13.205 3.624 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.880 5.456 5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.573 5.164 6.191 1.00 0.00 H new ATOM 0 HG LEU A 868 15.139 2.804 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 868 13.397 2.808 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 868 12.701 2.989 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 868 12.846 4.405 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 868 15.648 3.687 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 868 15.184 5.318 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 868 16.595 4.509 4.183 1.00 0.00 H new ATOM 1087 N LYS A 869 16.381 3.163 8.088 1.00 0.00 N ATOM 1088 CA LYS A 869 17.374 2.142 8.403 1.00 0.00 C ATOM 1089 C LYS A 869 16.900 1.258 9.552 1.00 0.00 C ATOM 1090 O LYS A 869 16.701 0.055 9.382 1.00 0.00 O ATOM 1091 CB LYS A 869 18.709 2.796 8.766 1.00 0.00 C ATOM 1092 CG LYS A 869 19.623 3.016 7.572 1.00 0.00 C ATOM 1093 CD LYS A 869 19.215 4.244 6.776 1.00 0.00 C ATOM 1094 CE LYS A 869 20.051 4.393 5.514 1.00 0.00 C ATOM 1095 NZ LYS A 869 21.347 5.075 5.785 1.00 0.00 N ATOM 0 H LYS A 869 16.707 4.121 8.214 1.00 0.00 H new ATOM 0 HA LYS A 869 17.510 1.518 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.515 3.755 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 869 19.223 2.172 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 869 20.651 3.129 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 869 19.598 2.138 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 869 18.161 4.172 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 869 19.327 5.134 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 869 20.241 3.409 5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 869 19.490 4.961 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 21.888 5.157 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 21.166 6.024 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 21.894 4.520 6.474 1.00 0.00 H new ATOM 1109 N LYS A 870 16.719 1.862 10.721 1.00 0.00 N ATOM 1110 CA LYS A 870 16.265 1.131 11.898 1.00 0.00 C ATOM 1111 C LYS A 870 15.047 0.273 11.570 1.00 0.00 C ATOM 1112 O LYS A 870 14.958 -0.880 11.991 1.00 0.00 O ATOM 1113 CB LYS A 870 15.926 2.105 13.030 1.00 0.00 C ATOM 1114 CG LYS A 870 17.148 2.709 13.699 1.00 0.00 C ATOM 1115 CD LYS A 870 17.602 3.976 12.994 1.00 0.00 C ATOM 1116 CE LYS A 870 18.669 4.707 13.793 1.00 0.00 C ATOM 1117 NZ LYS A 870 19.483 5.612 12.935 1.00 0.00 N ATOM 0 H LYS A 870 16.880 2.857 10.879 1.00 0.00 H new ATOM 0 HA LYS A 870 17.073 0.475 12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 870 15.305 2.908 12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.332 1.584 13.781 1.00 0.00 H new ATOM 0 HG2 LYS A 870 16.920 2.933 14.741 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.960 1.982 13.700 1.00 0.00 H new ATOM 0 HD2 LYS A 870 17.993 3.725 12.008 1.00 0.00 H new ATOM 0 HD3 LYS A 870 16.747 4.634 12.840 1.00 0.00 H new ATOM 0 HE2 LYS A 870 18.196 5.287 14.585 1.00 0.00 H new ATOM 0 HE3 LYS A 870 19.322 3.980 14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 20.488 5.356 13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 19.180 5.517 11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 19.350 6.596 13.244 1.00 0.00 H new ATOM 1131 N ARG A 871 14.113 0.843 10.816 1.00 0.00 N ATOM 1132 CA ARG A 871 12.902 0.129 10.431 1.00 0.00 C ATOM 1133 C ARG A 871 13.243 -1.186 9.737 1.00 0.00 C ATOM 1134 O ARG A 871 12.854 -2.260 10.196 1.00 0.00 O ATOM 1135 CB ARG A 871 12.044 0.998 9.509 1.00 0.00 C ATOM 1136 CG ARG A 871 11.378 2.165 10.218 1.00 0.00 C ATOM 1137 CD ARG A 871 10.085 1.741 10.896 1.00 0.00 C ATOM 1138 NE ARG A 871 10.319 1.207 12.236 1.00 0.00 N ATOM 1139 CZ ARG A 871 9.351 0.987 13.118 1.00 0.00 C ATOM 1140 NH1 ARG A 871 8.091 1.252 12.805 1.00 0.00 N ATOM 1141 NH2 ARG A 871 9.644 0.499 14.317 1.00 0.00 N ATOM 0 H ARG A 871 14.172 1.797 10.460 1.00 0.00 H new ATOM 0 HA ARG A 871 12.338 -0.094 11.337 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.668 1.382 8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 871 11.275 0.377 9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 871 12.061 2.578 10.960 1.00 0.00 H new ATOM 0 HG3 ARG A 871 11.170 2.958 9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.411 2.596 10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.587 0.987 10.287 1.00 0.00 H new ATOM 0 HE ARG A 871 11.278 0.992 12.509 1.00 0.00 H new ATOM 0 HH11 ARG A 871 7.862 1.626 11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 871 7.350 1.082 13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 871 10.613 0.293 14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 871 8.900 0.330 14.994 1.00 0.00 H new ATOM 1155 N ILE A 872 13.970 -1.093 8.629 1.00 0.00 N ATOM 1156 CA ILE A 872 14.363 -2.275 7.872 1.00 0.00 C ATOM 1157 C ILE A 872 15.086 -3.281 8.761 1.00 0.00 C ATOM 1158 O ILE A 872 14.596 -4.387 8.990 1.00 0.00 O ATOM 1159 CB ILE A 872 15.274 -1.907 6.686 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.574 -0.902 5.770 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.665 -3.157 5.911 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.504 -0.238 4.779 1.00 0.00 C ATOM 0 H ILE A 872 14.299 -0.211 8.235 1.00 0.00 H new ATOM 0 HA ILE A 872 13.446 -2.724 7.489 1.00 0.00 H new ATOM 0 HB ILE A 872 16.182 -1.445 7.073 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.779 -1.412 5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.100 -0.134 6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.309 -2.881 5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.199 -3.841 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.768 -3.645 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 872 14.939 0.462 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.285 0.300 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 872 15.959 -0.997 4.142 1.00 0.00 H new ATOM 1174 N GLU A 873 16.254 -2.889 9.261 1.00 0.00 N ATOM 1175 CA GLU A 873 17.044 -3.758 10.126 1.00 0.00 C ATOM 1176 C GLU A 873 16.162 -4.427 11.176 1.00 0.00 C ATOM 1177 O GLU A 873 16.039 -5.652 11.210 1.00 0.00 O ATOM 1178 CB GLU A 873 18.154 -2.958 10.811 1.00 0.00 C ATOM 1179 CG GLU A 873 19.183 -2.394 9.846 1.00 0.00 C ATOM 1180 CD GLU A 873 20.560 -2.267 10.468 1.00 0.00 C ATOM 1181 OE1 GLU A 873 20.685 -1.562 11.492 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.512 -2.872 9.933 1.00 0.00 O ATOM 0 H GLU A 873 16.674 -1.977 9.082 1.00 0.00 H new ATOM 0 HA GLU A 873 17.494 -4.534 9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.706 -2.137 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.659 -3.599 11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.243 -3.038 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.853 -1.414 9.501 1.00 0.00 H new ATOM 1189 N SER A 874 15.551 -3.615 12.032 1.00 0.00 N ATOM 1190 CA SER A 874 14.684 -4.127 13.087 1.00 0.00 C ATOM 1191 C SER A 874 13.803 -5.258 12.564 1.00 0.00 C ATOM 1192 O SER A 874 13.826 -6.372 13.088 1.00 0.00 O ATOM 1193 CB SER A 874 13.811 -3.004 13.650 1.00 0.00 C ATOM 1194 OG SER A 874 14.594 -2.051 14.347 1.00 0.00 O ATOM 0 H SER A 874 15.640 -2.599 12.016 1.00 0.00 H new ATOM 0 HA SER A 874 15.316 -4.520 13.884 1.00 0.00 H new ATOM 0 HB2 SER A 874 13.274 -2.514 12.838 1.00 0.00 H new ATOM 0 HB3 SER A 874 13.061 -3.423 14.320 1.00 0.00 H new ATOM 0 HG SER A 874 14.936 -1.384 13.716 1.00 0.00 H new ATOM 1200 N LEU A 875 13.026 -4.962 11.528 1.00 0.00 N ATOM 1201 CA LEU A 875 12.135 -5.953 10.932 1.00 0.00 C ATOM 1202 C LEU A 875 12.884 -7.247 10.632 1.00 0.00 C ATOM 1203 O LEU A 875 12.390 -8.340 10.909 1.00 0.00 O ATOM 1204 CB LEU A 875 11.513 -5.401 9.648 1.00 0.00 C ATOM 1205 CG LEU A 875 10.342 -4.434 9.832 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.046 -3.702 8.532 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.108 -5.178 10.320 1.00 0.00 C ATOM 0 H LEU A 875 12.994 -4.045 11.083 1.00 0.00 H new ATOM 0 HA LEU A 875 11.343 -6.171 11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.292 -4.893 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.173 -6.241 9.042 1.00 0.00 H new ATOM 0 HG LEU A 875 10.619 -3.697 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.210 -3.018 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 875 10.926 -3.137 8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.789 -4.425 7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.285 -4.475 10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.828 -5.937 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.325 -5.656 11.275 1.00 0.00 H new ATOM 1219 N ILE A 876 14.079 -7.116 10.066 1.00 0.00 N ATOM 1220 CA ILE A 876 14.897 -8.275 9.732 1.00 0.00 C ATOM 1221 C ILE A 876 15.176 -9.125 10.966 1.00 0.00 C ATOM 1222 O ILE A 876 15.232 -10.353 10.888 1.00 0.00 O ATOM 1223 CB ILE A 876 16.237 -7.855 9.098 1.00 0.00 C ATOM 1224 CG1 ILE A 876 15.992 -7.058 7.815 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.094 -9.079 8.813 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.245 -6.437 7.241 1.00 0.00 C ATOM 0 H ILE A 876 14.502 -6.219 9.829 1.00 0.00 H new ATOM 0 HA ILE A 876 14.331 -8.863 9.009 1.00 0.00 H new ATOM 0 HB ILE A 876 16.772 -7.217 9.802 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.547 -7.715 7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.267 -6.270 8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.037 -8.766 8.365 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.292 -9.609 9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.567 -9.740 8.125 1.00 0.00 H new ATOM 0 HD11 ILE A 876 16.996 -5.888 6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.680 -5.754 7.971 1.00 0.00 H new ATOM 0 HD13 ILE A 876 17.964 -7.221 7.005 1.00 0.00 H new ATOM 1238 N ASP A 877 15.349 -8.465 12.106 1.00 0.00 N ATOM 1239 CA ASP A 877 15.619 -9.160 13.359 1.00 0.00 C ATOM 1240 C ASP A 877 14.321 -9.617 14.018 1.00 0.00 C ATOM 1241 O ASP A 877 14.336 -10.421 14.950 1.00 0.00 O ATOM 1242 CB ASP A 877 16.397 -8.253 14.313 1.00 0.00 C ATOM 1243 CG ASP A 877 16.984 -9.013 15.486 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.514 -10.123 15.269 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.913 -8.498 16.621 1.00 0.00 O ATOM 0 H ASP A 877 15.307 -7.449 12.188 1.00 0.00 H new ATOM 0 HA ASP A 877 16.221 -10.040 13.134 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.200 -7.759 13.766 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.736 -7.470 14.685 1.00 0.00 H new ATOM 1250 N ARG A 878 13.200 -9.098 13.527 1.00 0.00 N ATOM 1251 CA ARG A 878 11.894 -9.451 14.070 1.00 0.00 C ATOM 1252 C ARG A 878 11.373 -10.740 13.439 1.00 0.00 C ATOM 1253 O ARG A 878 10.171 -10.899 13.230 1.00 0.00 O ATOM 1254 CB ARG A 878 10.896 -8.316 13.833 1.00 0.00 C ATOM 1255 CG ARG A 878 10.994 -7.197 14.856 1.00 0.00 C ATOM 1256 CD ARG A 878 9.659 -6.491 15.039 1.00 0.00 C ATOM 1257 NE ARG A 878 8.705 -7.308 15.784 1.00 0.00 N ATOM 1258 CZ ARG A 878 7.666 -6.807 16.442 1.00 0.00 C ATOM 1259 NH1 ARG A 878 7.447 -5.499 16.448 1.00 0.00 N ATOM 1260 NH2 ARG A 878 6.841 -7.615 17.097 1.00 0.00 N ATOM 0 H ARG A 878 13.170 -8.432 12.755 1.00 0.00 H new ATOM 0 HA ARG A 878 12.005 -9.610 15.143 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.058 -7.902 12.838 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.885 -8.723 13.848 1.00 0.00 H new ATOM 0 HG2 ARG A 878 11.326 -7.604 15.811 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.747 -6.476 14.538 1.00 0.00 H new ATOM 0 HD2 ARG A 878 9.816 -5.549 15.564 1.00 0.00 H new ATOM 0 HD3 ARG A 878 9.242 -6.246 14.062 1.00 0.00 H new ATOM 0 HE ARG A 878 8.844 -8.318 15.800 1.00 0.00 H new ATOM 0 HH11 ARG A 878 8.078 -4.874 15.946 1.00 0.00 H new ATOM 0 HH12 ARG A 878 6.648 -5.118 16.955 1.00 0.00 H new ATOM 0 HH21 ARG A 878 7.005 -8.622 17.095 1.00 0.00 H new ATOM 0 HH22 ARG A 878 6.043 -7.229 17.602 1.00 0.00 H new ATOM 1274 N ASP A 879 12.287 -11.656 13.138 1.00 0.00 N ATOM 1275 CA ASP A 879 11.921 -12.931 12.532 1.00 0.00 C ATOM 1276 C ASP A 879 11.041 -12.716 11.305 1.00 0.00 C ATOM 1277 O ASP A 879 10.010 -13.371 11.145 1.00 0.00 O ATOM 1278 CB ASP A 879 11.194 -13.813 13.548 1.00 0.00 C ATOM 1279 CG ASP A 879 12.151 -14.541 14.471 1.00 0.00 C ATOM 1280 OD1 ASP A 879 12.663 -13.906 15.418 1.00 0.00 O ATOM 1281 OD2 ASP A 879 12.388 -15.747 14.248 1.00 0.00 O ATOM 0 H ASP A 879 13.287 -11.539 13.304 1.00 0.00 H new ATOM 0 HA ASP A 879 12.837 -13.432 12.217 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.519 -13.197 14.142 1.00 0.00 H new ATOM 0 HB3 ASP A 879 10.579 -14.541 13.019 1.00 0.00 H new ATOM 1286 N TYR A 880 11.452 -11.794 10.442 1.00 0.00 N ATOM 1287 CA TYR A 880 10.699 -11.490 9.231 1.00 0.00 C ATOM 1288 C TYR A 880 11.578 -11.634 7.992 1.00 0.00 C ATOM 1289 O TYR A 880 11.118 -12.073 6.939 1.00 0.00 O ATOM 1290 CB TYR A 880 10.128 -10.073 9.302 1.00 0.00 C ATOM 1291 CG TYR A 880 8.867 -9.970 10.131 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.639 -10.364 9.615 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.905 -9.479 11.430 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.484 -10.271 10.368 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.755 -9.384 12.191 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.548 -9.781 11.656 1.00 0.00 C ATOM 1297 OH TYR A 880 5.401 -9.687 12.410 1.00 0.00 O ATOM 0 H TYR A 880 12.303 -11.244 10.559 1.00 0.00 H new ATOM 0 HA TYR A 880 9.877 -12.202 9.157 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.883 -9.406 9.719 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.918 -9.724 8.291 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.586 -10.750 8.608 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.849 -9.166 11.852 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.537 -10.580 9.951 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.802 -9.001 13.200 1.00 0.00 H new ATOM 0 HH TYR A 880 5.619 -9.324 13.294 1.00 0.00 H new ATOM 1307 N MET A 881 12.847 -11.261 8.128 1.00 0.00 N ATOM 1308 CA MET A 881 13.792 -11.349 7.021 1.00 0.00 C ATOM 1309 C MET A 881 15.168 -11.784 7.515 1.00 0.00 C ATOM 1310 O MET A 881 15.447 -11.748 8.713 1.00 0.00 O ATOM 1311 CB MET A 881 13.897 -10.003 6.303 1.00 0.00 C ATOM 1312 CG MET A 881 12.558 -9.457 5.836 1.00 0.00 C ATOM 1313 SD MET A 881 11.765 -10.516 4.611 1.00 0.00 S ATOM 1314 CE MET A 881 12.783 -10.190 3.173 1.00 0.00 C ATOM 0 H MET A 881 13.244 -10.895 8.993 1.00 0.00 H new ATOM 0 HA MET A 881 13.423 -12.098 6.320 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.362 -9.279 6.972 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.557 -10.110 5.442 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.897 -9.344 6.695 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.703 -8.463 5.412 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.396 -10.747 2.320 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.765 -9.123 2.949 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.808 -10.501 3.375 1.00 0.00 H new ATOM 1324 N GLU A 882 16.023 -12.196 6.585 1.00 0.00 N ATOM 1325 CA GLU A 882 17.370 -12.638 6.927 1.00 0.00 C ATOM 1326 C GLU A 882 18.400 -12.028 5.982 1.00 0.00 C ATOM 1327 O GLU A 882 18.177 -11.943 4.774 1.00 0.00 O ATOM 1328 CB GLU A 882 17.457 -14.165 6.877 1.00 0.00 C ATOM 1329 CG GLU A 882 17.195 -14.745 5.497 1.00 0.00 C ATOM 1330 CD GLU A 882 17.821 -16.113 5.311 1.00 0.00 C ATOM 1331 OE1 GLU A 882 17.726 -16.940 6.242 1.00 0.00 O ATOM 1332 OE2 GLU A 882 18.407 -16.357 4.235 1.00 0.00 O ATOM 0 H GLU A 882 15.807 -12.233 5.589 1.00 0.00 H new ATOM 0 HA GLU A 882 17.589 -12.301 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.447 -14.475 7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.738 -14.585 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.119 -14.817 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.586 -14.065 4.741 1.00 0.00 H new ATOM 1339 N ARG A 883 19.529 -11.604 6.541 1.00 0.00 N ATOM 1340 CA ARG A 883 20.594 -11.000 5.749 1.00 0.00 C ATOM 1341 C ARG A 883 21.366 -12.064 4.974 1.00 0.00 C ATOM 1342 O ARG A 883 22.078 -12.879 5.562 1.00 0.00 O ATOM 1343 CB ARG A 883 21.549 -10.217 6.651 1.00 0.00 C ATOM 1344 CG ARG A 883 20.959 -8.921 7.183 1.00 0.00 C ATOM 1345 CD ARG A 883 21.877 -8.269 8.206 1.00 0.00 C ATOM 1346 NE ARG A 883 21.132 -7.501 9.200 1.00 0.00 N ATOM 1347 CZ ARG A 883 20.596 -8.036 10.291 1.00 0.00 C ATOM 1348 NH1 ARG A 883 20.722 -9.335 10.527 1.00 0.00 N ATOM 1349 NH2 ARG A 883 19.932 -7.272 11.149 1.00 0.00 N ATOM 0 H ARG A 883 19.730 -11.668 7.539 1.00 0.00 H new ATOM 0 HA ARG A 883 20.137 -10.315 5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.839 -10.847 7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.458 -9.991 6.094 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.787 -8.232 6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 883 19.989 -9.121 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.464 -9.038 8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.581 -7.613 7.695 1.00 0.00 H new ATOM 0 HE ARG A 883 21.017 -6.499 9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 883 21.232 -9.926 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 883 20.309 -9.743 11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 883 19.833 -6.273 10.971 1.00 0.00 H new ATOM 0 HH22 ARG A 883 19.521 -7.684 11.987 1.00 0.00 H new ATOM 1363 N ASP A 884 21.221 -12.050 3.654 1.00 0.00 N ATOM 1364 CA ASP A 884 21.905 -13.013 2.799 1.00 0.00 C ATOM 1365 C ASP A 884 23.353 -13.200 3.242 1.00 0.00 C ATOM 1366 O ASP A 884 24.149 -12.261 3.212 1.00 0.00 O ATOM 1367 CB ASP A 884 21.860 -12.555 1.341 1.00 0.00 C ATOM 1368 CG ASP A 884 22.384 -13.609 0.386 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.229 -14.812 0.686 1.00 0.00 O ATOM 1370 OD2 ASP A 884 22.949 -13.232 -0.662 1.00 0.00 O ATOM 0 H ASP A 884 20.636 -11.382 3.152 1.00 0.00 H new ATOM 0 HA ASP A 884 21.390 -13.970 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.833 -12.305 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.449 -11.644 1.231 1.00 0.00 H new ATOM 1375 N LYS A 885 23.687 -14.418 3.653 1.00 0.00 N ATOM 1376 CA LYS A 885 25.039 -14.730 4.102 1.00 0.00 C ATOM 1377 C LYS A 885 26.074 -13.960 3.288 1.00 0.00 C ATOM 1378 O LYS A 885 27.044 -13.438 3.837 1.00 0.00 O ATOM 1379 CB LYS A 885 25.302 -16.234 3.990 1.00 0.00 C ATOM 1380 CG LYS A 885 24.786 -17.032 5.175 1.00 0.00 C ATOM 1381 CD LYS A 885 25.212 -18.488 5.095 1.00 0.00 C ATOM 1382 CE LYS A 885 25.257 -19.132 6.472 1.00 0.00 C ATOM 1383 NZ LYS A 885 25.353 -20.616 6.387 1.00 0.00 N ATOM 0 H LYS A 885 23.040 -15.206 3.685 1.00 0.00 H new ATOM 0 HA LYS A 885 25.127 -14.429 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 885 24.835 -16.609 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.375 -16.400 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.159 -16.593 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 885 23.698 -16.972 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 885 24.518 -19.037 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 885 26.195 -18.556 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 885 26.111 -18.744 7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 885 24.362 -18.857 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 25.381 -21.018 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 24.525 -20.989 5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 26.220 -20.879 5.876 1.00 0.00 H new ATOM 1397 N GLU A 886 25.860 -13.894 1.978 1.00 0.00 N ATOM 1398 CA GLU A 886 26.775 -13.187 1.090 1.00 0.00 C ATOM 1399 C GLU A 886 26.887 -11.716 1.483 1.00 0.00 C ATOM 1400 O GLU A 886 27.969 -11.231 1.811 1.00 0.00 O ATOM 1401 CB GLU A 886 26.305 -13.304 -0.361 1.00 0.00 C ATOM 1402 CG GLU A 886 26.877 -14.507 -1.091 1.00 0.00 C ATOM 1403 CD GLU A 886 28.221 -14.216 -1.731 1.00 0.00 C ATOM 1404 OE1 GLU A 886 29.184 -13.936 -0.986 1.00 0.00 O ATOM 1405 OE2 GLU A 886 28.310 -14.268 -2.975 1.00 0.00 O ATOM 0 H GLU A 886 25.062 -14.321 1.508 1.00 0.00 H new ATOM 0 HA GLU A 886 27.759 -13.646 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 886 25.217 -13.363 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.583 -12.397 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 886 26.984 -15.335 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 886 26.175 -14.829 -1.860 1.00 0.00 H new ATOM 1412 N ASN A 887 25.760 -11.013 1.447 1.00 0.00 N ATOM 1413 CA ASN A 887 25.730 -9.597 1.798 1.00 0.00 C ATOM 1414 C ASN A 887 24.409 -9.230 2.465 1.00 0.00 C ATOM 1415 O ASN A 887 23.347 -9.751 2.125 1.00 0.00 O ATOM 1416 CB ASN A 887 25.941 -8.737 0.550 1.00 0.00 C ATOM 1417 CG ASN A 887 25.242 -9.305 -0.669 1.00 0.00 C ATOM 1418 OD1 ASN A 887 24.016 -9.413 -0.702 1.00 0.00 O ATOM 1419 ND2 ASN A 887 26.021 -9.672 -1.680 1.00 0.00 N ATOM 0 H ASN A 887 24.855 -11.400 1.178 1.00 0.00 H new ATOM 0 HA ASN A 887 26.538 -9.406 2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.572 -7.729 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 887 27.009 -8.653 0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 887 25.607 -10.061 -2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 887 27.033 -9.564 -1.609 1.00 0.00 H new ATOM 1426 N PRO A 888 24.474 -8.310 3.439 1.00 0.00 N ATOM 1427 CA PRO A 888 23.292 -7.850 4.174 1.00 0.00 C ATOM 1428 C PRO A 888 22.360 -7.010 3.308 1.00 0.00 C ATOM 1429 O PRO A 888 21.240 -6.696 3.707 1.00 0.00 O ATOM 1430 CB PRO A 888 23.883 -7.002 5.303 1.00 0.00 C ATOM 1431 CG PRO A 888 25.199 -6.539 4.779 1.00 0.00 C ATOM 1432 CD PRO A 888 25.706 -7.646 3.897 1.00 0.00 C ATOM 0 HA PRO A 888 22.681 -8.682 4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.235 -6.160 5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.003 -7.586 6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.091 -5.611 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 888 25.895 -6.339 5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.288 -7.259 3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.352 -8.332 4.445 1.00 0.00 H new ATOM 1440 N ASN A 889 22.832 -6.648 2.118 1.00 0.00 N ATOM 1441 CA ASN A 889 22.040 -5.843 1.195 1.00 0.00 C ATOM 1442 C ASN A 889 20.843 -6.633 0.674 1.00 0.00 C ATOM 1443 O ASN A 889 19.755 -6.084 0.499 1.00 0.00 O ATOM 1444 CB ASN A 889 22.906 -5.375 0.023 1.00 0.00 C ATOM 1445 CG ASN A 889 23.907 -4.312 0.432 1.00 0.00 C ATOM 1446 OD1 ASN A 889 23.538 -3.172 0.713 1.00 0.00 O ATOM 1447 ND2 ASN A 889 25.182 -4.683 0.468 1.00 0.00 N ATOM 0 H ASN A 889 23.758 -6.899 1.771 1.00 0.00 H new ATOM 0 HA ASN A 889 21.670 -4.972 1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.438 -6.229 -0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.264 -4.982 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.901 -4.011 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 889 25.442 -5.639 0.227 1.00 0.00 H new ATOM 1454 N GLN A 890 21.052 -7.922 0.429 1.00 0.00 N ATOM 1455 CA GLN A 890 19.990 -8.786 -0.071 1.00 0.00 C ATOM 1456 C GLN A 890 19.306 -9.527 1.073 1.00 0.00 C ATOM 1457 O GLN A 890 19.918 -10.366 1.735 1.00 0.00 O ATOM 1458 CB GLN A 890 20.553 -9.789 -1.080 1.00 0.00 C ATOM 1459 CG GLN A 890 19.552 -10.853 -1.504 1.00 0.00 C ATOM 1460 CD GLN A 890 19.839 -11.406 -2.886 1.00 0.00 C ATOM 1461 OE1 GLN A 890 20.744 -12.222 -3.065 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.067 -10.964 -3.872 1.00 0.00 N ATOM 0 H GLN A 890 21.947 -8.391 0.569 1.00 0.00 H new ATOM 0 HA GLN A 890 19.249 -8.159 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.894 -9.250 -1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.427 -10.276 -0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.566 -11.668 -0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.548 -10.429 -1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 890 18.329 -10.288 -3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.212 -11.301 -4.824 1.00 0.00 H new ATOM 1471 N TYR A 891 18.036 -9.212 1.299 1.00 0.00 N ATOM 1472 CA TYR A 891 17.270 -9.846 2.366 1.00 0.00 C ATOM 1473 C TYR A 891 16.359 -10.936 1.808 1.00 0.00 C ATOM 1474 O TYR A 891 15.909 -10.860 0.666 1.00 0.00 O ATOM 1475 CB TYR A 891 16.438 -8.804 3.114 1.00 0.00 C ATOM 1476 CG TYR A 891 17.206 -7.547 3.454 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.207 -7.560 4.417 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.931 -6.346 2.812 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.911 -6.414 4.732 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.631 -5.195 3.119 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.619 -5.234 4.080 1.00 0.00 C ATOM 1482 OH TYR A 891 19.319 -4.090 4.390 1.00 0.00 O ATOM 0 H TYR A 891 17.515 -8.522 0.758 1.00 0.00 H new ATOM 0 HA TYR A 891 17.974 -10.305 3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.573 -8.538 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.058 -9.247 4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.439 -8.482 4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.157 -6.311 2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.685 -6.442 5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.406 -4.270 2.609 1.00 0.00 H new ATOM 0 HH TYR A 891 18.992 -3.347 3.841 1.00 0.00 H new ATOM 1492 N ASN A 892 16.091 -11.949 2.625 1.00 0.00 N ATOM 1493 CA ASN A 892 15.233 -13.056 2.215 1.00 0.00 C ATOM 1494 C ASN A 892 14.035 -13.190 3.150 1.00 0.00 C ATOM 1495 O ASN A 892 14.100 -12.809 4.319 1.00 0.00 O ATOM 1496 CB ASN A 892 16.028 -14.363 2.194 1.00 0.00 C ATOM 1497 CG ASN A 892 17.146 -14.344 1.170 1.00 0.00 C ATOM 1498 OD1 ASN A 892 16.986 -14.832 0.051 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.286 -13.779 1.549 1.00 0.00 N ATOM 0 H ASN A 892 16.455 -12.027 3.575 1.00 0.00 H new ATOM 0 HA ASN A 892 14.865 -12.847 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.448 -14.545 3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.354 -15.191 1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.074 -13.737 0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.374 -13.387 2.487 1.00 0.00 H new ATOM 1506 N TYR A 893 12.942 -13.735 2.626 1.00 0.00 N ATOM 1507 CA TYR A 893 11.728 -13.919 3.413 1.00 0.00 C ATOM 1508 C TYR A 893 11.838 -15.153 4.304 1.00 0.00 C ATOM 1509 O TYR A 893 12.307 -16.205 3.870 1.00 0.00 O ATOM 1510 CB TYR A 893 10.514 -14.047 2.492 1.00 0.00 C ATOM 1511 CG TYR A 893 9.193 -14.052 3.229 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.693 -12.891 3.806 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.446 -15.217 3.348 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.488 -12.891 4.481 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.239 -15.226 4.020 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.764 -14.061 4.585 1.00 0.00 C ATOM 1517 OH TYR A 893 5.563 -14.066 5.256 1.00 0.00 O ATOM 0 H TYR A 893 12.872 -14.057 1.661 1.00 0.00 H new ATOM 0 HA TYR A 893 11.602 -13.044 4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.520 -13.222 1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.602 -14.967 1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.256 -11.973 3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.815 -16.131 2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.114 -11.980 4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.670 -16.140 4.102 1.00 0.00 H new ATOM 0 HH TYR A 893 5.181 -14.968 5.236 1.00 0.00 H new ATOM 1527 N ILE A 894 11.401 -15.014 5.551 1.00 0.00 N ATOM 1528 CA ILE A 894 11.448 -16.117 6.503 1.00 0.00 C ATOM 1529 C ILE A 894 10.092 -16.326 7.169 1.00 0.00 C ATOM 1530 O ILE A 894 9.665 -17.459 7.389 1.00 0.00 O ATOM 1531 CB ILE A 894 12.510 -15.876 7.591 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.441 -14.432 8.092 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.899 -16.191 7.055 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.448 -14.120 9.176 1.00 0.00 C ATOM 0 H ILE A 894 11.011 -14.149 5.926 1.00 0.00 H new ATOM 0 HA ILE A 894 11.714 -17.011 5.938 1.00 0.00 H new ATOM 0 HB ILE A 894 12.306 -16.541 8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.602 -13.756 7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.438 -14.235 8.471 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.639 -16.016 7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.941 -17.235 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.114 -15.549 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.342 -13.080 9.483 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.274 -14.771 10.033 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.456 -14.285 8.795 1.00 0.00 H new ATOM 1546 N ALA A 895 9.419 -15.225 7.486 1.00 0.00 N ATOM 1547 CA ALA A 895 8.109 -15.287 8.124 1.00 0.00 C ATOM 1548 C ALA A 895 7.245 -16.375 7.497 1.00 0.00 C ATOM 1549 O ALA A 895 7.406 -16.711 6.324 1.00 0.00 O ATOM 1550 CB ALA A 895 7.413 -13.937 8.031 1.00 0.00 C ATOM 0 H ALA A 895 9.759 -14.279 7.312 1.00 0.00 H new ATOM 0 HA ALA A 895 8.255 -15.536 9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.436 -13.997 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.017 -13.181 8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.286 -13.665 6.983 1.00 0.00 H new ATOM 1556 N SER A 896 6.327 -16.923 8.287 1.00 0.00 N ATOM 1557 CA SER A 896 5.439 -17.977 7.810 1.00 0.00 C ATOM 1558 C SER A 896 3.977 -17.584 7.999 1.00 0.00 C ATOM 1559 O SER A 896 3.591 -17.071 9.048 1.00 0.00 O ATOM 1560 CB SER A 896 5.726 -19.287 8.547 1.00 0.00 C ATOM 1561 OG SER A 896 7.014 -19.781 8.226 1.00 0.00 O ATOM 0 H SER A 896 6.179 -16.655 9.260 1.00 0.00 H new ATOM 0 HA SER A 896 5.624 -18.119 6.745 1.00 0.00 H new ATOM 0 HB2 SER A 896 5.652 -19.126 9.623 1.00 0.00 H new ATOM 0 HB3 SER A 896 4.972 -20.029 8.283 1.00 0.00 H new ATOM 0 HG SER A 896 7.174 -20.618 8.711 1.00 0.00 H new ATOM 1567 N GLY A 897 3.168 -17.827 6.972 1.00 0.00 N ATOM 1568 CA GLY A 897 1.758 -17.492 7.044 1.00 0.00 C ATOM 1569 C GLY A 897 0.913 -18.334 6.108 1.00 0.00 C ATOM 1570 O GLY A 897 1.402 -19.261 5.461 1.00 0.00 O ATOM 0 H GLY A 897 3.464 -18.250 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 897 1.407 -17.628 8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 897 1.625 -16.438 6.799 1.00 0.00 H new ATOM 1574 N PRO A 898 -0.387 -18.015 6.029 1.00 0.00 N ATOM 1575 CA PRO A 898 -1.329 -18.737 5.169 1.00 0.00 C ATOM 1576 C PRO A 898 -1.075 -18.482 3.687 1.00 0.00 C ATOM 1577 O PRO A 898 -0.552 -17.433 3.309 1.00 0.00 O ATOM 1578 CB PRO A 898 -2.691 -18.175 5.583 1.00 0.00 C ATOM 1579 CG PRO A 898 -2.392 -16.820 6.126 1.00 0.00 C ATOM 1580 CD PRO A 898 -1.038 -16.922 6.772 1.00 0.00 C ATOM 0 HA PRO A 898 -1.244 -19.817 5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 898 -3.371 -18.120 4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 898 -3.168 -18.806 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 898 -2.390 -16.073 5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 898 -3.148 -16.514 6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 898 -0.480 -15.989 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 898 -1.116 -17.149 7.835 1.00 0.00 H new ATOM 1588 N SER A 899 -1.449 -19.446 2.852 1.00 0.00 N ATOM 1589 CA SER A 899 -1.258 -19.326 1.412 1.00 0.00 C ATOM 1590 C SER A 899 -2.157 -18.237 0.833 1.00 0.00 C ATOM 1591 O SER A 899 -3.369 -18.414 0.718 1.00 0.00 O ATOM 1592 CB SER A 899 -1.549 -20.661 0.724 1.00 0.00 C ATOM 1593 OG SER A 899 -0.431 -21.529 0.803 1.00 0.00 O ATOM 0 H SER A 899 -1.886 -20.319 3.148 1.00 0.00 H new ATOM 0 HA SER A 899 -0.219 -19.050 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 899 -2.414 -21.133 1.190 1.00 0.00 H new ATOM 0 HB3 SER A 899 -1.805 -20.487 -0.321 1.00 0.00 H new ATOM 0 HG SER A 899 -0.642 -22.376 0.358 1.00 0.00 H new ATOM 1599 N SER A 900 -1.552 -17.110 0.471 1.00 0.00 N ATOM 1600 CA SER A 900 -2.297 -15.990 -0.092 1.00 0.00 C ATOM 1601 C SER A 900 -2.003 -15.835 -1.581 1.00 0.00 C ATOM 1602 O SER A 900 -1.083 -15.117 -1.971 1.00 0.00 O ATOM 1603 CB SER A 900 -1.949 -14.696 0.646 1.00 0.00 C ATOM 1604 OG SER A 900 -0.549 -14.477 0.658 1.00 0.00 O ATOM 0 H SER A 900 -0.549 -16.948 0.558 1.00 0.00 H new ATOM 0 HA SER A 900 -3.361 -16.195 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 900 -2.448 -13.854 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 900 -2.321 -14.746 1.669 1.00 0.00 H new ATOM 0 HG SER A 900 -0.191 -14.598 -0.246 1.00 0.00 H new ATOM 1610 N GLY A 901 -2.791 -16.514 -2.408 1.00 0.00 N ATOM 1611 CA GLY A 901 -2.600 -16.440 -3.844 1.00 0.00 C ATOM 1612 C GLY A 901 -3.898 -16.205 -4.591 1.00 0.00 C ATOM 1613 O GLY A 901 -4.917 -15.870 -3.987 1.00 0.00 O ATOM 0 H GLY A 901 -3.559 -17.115 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -1.902 -15.635 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -2.145 -17.366 -4.195 1.00 0.00 H new TER 1617 GLY A 901