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 848 HIS : no HD1:sc= -0.248 K(o=-0.12,f=-2) USER MOD Set 1.2: A 891 TYR OH : rot -174:sc= 0.129 USER MOD Set 2.1: A 840 MET CE :methyl -123:sc= -1.43 (180deg=-2.83!) USER MOD Set 2.2: A 881 MET CE :methyl -112:sc= -3.35! (180deg=-2.24) USER MOD Set 3.1: A 845 THR OG1 : rot -100:sc= 0.16 USER MOD Set 3.2: A 892 ASN : amide:sc= 0.00333 X(o=0.16,f=0.18) USER MOD Single : A 802 SER OG : rot -55:sc= 0.0261 USER MOD Single : A 803 SER OG : rot 23:sc= 0.393 USER MOD Single : A 805 SER OG : rot 180:sc= 0 USER MOD Single : A 806 SER OG : rot 180:sc= 0 USER MOD Single : A 809 GLN : amide:sc= -0.175 K(o=-0.18,f=-2.2!) USER MOD Single : A 810 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 811 LYS NZ :NH3+ 161:sc= -0.0282 (180deg=-0.254) USER MOD Single : A 813 THR OG1 : rot 180:sc= 0 USER MOD Single : A 817 GLN : amide:sc= -0.471 K(o=-0.47,f=-2.6!) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 821 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 826 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.5!) USER MOD Single : A 829 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.387 K(o=-0.39,f=-1.1) 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 164:sc= -0.231 USER MOD Single : A 849 ASN : amide:sc= -0.0773 X(o=-0.077,f=-0.077) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 172:sc= -0.78 USER MOD Single : A 857 ASN : amide:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 858 GLN : amide:sc=-0.00827 K(o=-0.0083,f=-0.72) USER MOD Single : A 860 LYS NZ :NH3+ -111:sc= -0.446 (180deg=-2.1!) USER MOD Single : A 864 LYS NZ :NH3+ 151:sc= -0.202 (180deg=-0.735) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot 77:sc= 0.0973 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= -2.51! C(o=-2.5!,f=-13!) USER MOD Single : A 889 ASN : amide:sc= -0.504 K(o=-0.5,f=-2) USER MOD Single : A 890 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.11) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 896 SER OG : rot 33:sc= 0.792 USER MOD Single : A 899 SER OG : rot 180:sc= 0 USER MOD Single : A 900 SER OG : rot 27:sc= 0.198! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 801 3.554 -25.250 14.174 1.00 0.00 N ATOM 2 CA GLY A 801 4.686 -24.367 14.386 1.00 0.00 C ATOM 3 C GLY A 801 5.162 -24.369 15.825 1.00 0.00 C ATOM 4 O GLY A 801 4.414 -24.734 16.732 1.00 0.00 O ATOM 0 HA2 GLY A 801 5.506 -24.670 13.735 1.00 0.00 H new ATOM 0 HA3 GLY A 801 4.410 -23.352 14.099 1.00 0.00 H new ATOM 8 N SER A 802 6.410 -23.964 16.035 1.00 0.00 N ATOM 9 CA SER A 802 6.987 -23.926 17.374 1.00 0.00 C ATOM 10 C SER A 802 7.222 -22.487 17.823 1.00 0.00 C ATOM 11 O SER A 802 8.257 -22.170 18.411 1.00 0.00 O ATOM 12 CB SER A 802 8.303 -24.705 17.407 1.00 0.00 C ATOM 13 OG SER A 802 8.648 -25.068 18.733 1.00 0.00 O ATOM 0 H SER A 802 7.041 -23.657 15.295 1.00 0.00 H new ATOM 0 HA SER A 802 6.281 -24.392 18.061 1.00 0.00 H new ATOM 0 HB2 SER A 802 8.214 -25.601 16.793 1.00 0.00 H new ATOM 0 HB3 SER A 802 9.099 -24.099 16.974 1.00 0.00 H new ATOM 0 HG SER A 802 8.675 -24.266 19.295 1.00 0.00 H new ATOM 19 N SER A 803 6.255 -21.621 17.543 1.00 0.00 N ATOM 20 CA SER A 803 6.357 -20.214 17.914 1.00 0.00 C ATOM 21 C SER A 803 4.973 -19.604 18.117 1.00 0.00 C ATOM 22 O SER A 803 3.986 -20.075 17.554 1.00 0.00 O ATOM 23 CB SER A 803 7.118 -19.435 16.840 1.00 0.00 C ATOM 24 OG SER A 803 8.518 -19.575 17.005 1.00 0.00 O ATOM 0 H SER A 803 5.391 -21.868 17.060 1.00 0.00 H new ATOM 0 HA SER A 803 6.904 -20.151 18.854 1.00 0.00 H new ATOM 0 HB2 SER A 803 6.827 -19.793 15.852 1.00 0.00 H new ATOM 0 HB3 SER A 803 6.846 -18.381 16.890 1.00 0.00 H new ATOM 0 HG SER A 803 8.708 -20.396 17.506 1.00 0.00 H new ATOM 30 N GLY A 804 4.910 -18.551 18.927 1.00 0.00 N ATOM 31 CA GLY A 804 3.644 -17.893 19.190 1.00 0.00 C ATOM 32 C GLY A 804 3.530 -16.554 18.489 1.00 0.00 C ATOM 33 O GLY A 804 4.387 -16.193 17.683 1.00 0.00 O ATOM 0 H GLY A 804 5.713 -18.142 19.405 1.00 0.00 H new ATOM 0 HA2 GLY A 804 2.828 -18.539 18.867 1.00 0.00 H new ATOM 0 HA3 GLY A 804 3.530 -17.748 20.264 1.00 0.00 H new ATOM 37 N SER A 805 2.467 -15.816 18.795 1.00 0.00 N ATOM 38 CA SER A 805 2.241 -14.512 18.184 1.00 0.00 C ATOM 39 C SER A 805 1.268 -13.683 19.017 1.00 0.00 C ATOM 40 O SER A 805 0.143 -14.107 19.282 1.00 0.00 O ATOM 41 CB SER A 805 1.700 -14.678 16.763 1.00 0.00 C ATOM 42 OG SER A 805 1.685 -13.439 16.074 1.00 0.00 O ATOM 0 H SER A 805 1.749 -16.099 19.462 1.00 0.00 H new ATOM 0 HA SER A 805 3.196 -13.987 18.143 1.00 0.00 H new ATOM 0 HB2 SER A 805 2.316 -15.393 16.218 1.00 0.00 H new ATOM 0 HB3 SER A 805 0.691 -15.089 16.800 1.00 0.00 H new ATOM 0 HG SER A 805 1.337 -13.573 15.168 1.00 0.00 H new ATOM 48 N SER A 806 1.709 -12.498 19.427 1.00 0.00 N ATOM 49 CA SER A 806 0.880 -11.610 20.233 1.00 0.00 C ATOM 50 C SER A 806 -0.360 -11.173 19.458 1.00 0.00 C ATOM 51 O SER A 806 -0.366 -11.164 18.228 1.00 0.00 O ATOM 52 CB SER A 806 1.683 -10.383 20.668 1.00 0.00 C ATOM 53 OG SER A 806 2.880 -10.763 21.324 1.00 0.00 O ATOM 0 H SER A 806 2.636 -12.131 19.214 1.00 0.00 H new ATOM 0 HA SER A 806 0.559 -12.157 21.119 1.00 0.00 H new ATOM 0 HB2 SER A 806 1.920 -9.772 19.797 1.00 0.00 H new ATOM 0 HB3 SER A 806 1.079 -9.767 21.334 1.00 0.00 H new ATOM 0 HG SER A 806 3.376 -9.961 21.590 1.00 0.00 H new ATOM 59 N GLY A 807 -1.409 -10.809 20.190 1.00 0.00 N ATOM 60 CA GLY A 807 -2.641 -10.376 19.556 1.00 0.00 C ATOM 61 C GLY A 807 -2.682 -8.877 19.335 1.00 0.00 C ATOM 62 O GLY A 807 -2.117 -8.112 20.117 1.00 0.00 O ATOM 0 H GLY A 807 -1.428 -10.806 21.210 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -2.752 -10.885 18.598 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -3.488 -10.673 20.174 1.00 0.00 H new ATOM 66 N ILE A 808 -3.352 -8.456 18.267 1.00 0.00 N ATOM 67 CA ILE A 808 -3.464 -7.039 17.946 1.00 0.00 C ATOM 68 C ILE A 808 -4.495 -6.353 18.837 1.00 0.00 C ATOM 69 O ILE A 808 -5.469 -6.972 19.264 1.00 0.00 O ATOM 70 CB ILE A 808 -3.853 -6.825 16.471 1.00 0.00 C ATOM 71 CG1 ILE A 808 -5.207 -7.474 16.179 1.00 0.00 C ATOM 72 CG2 ILE A 808 -2.779 -7.389 15.553 1.00 0.00 C ATOM 73 CD1 ILE A 808 -6.383 -6.553 16.414 1.00 0.00 C ATOM 0 H ILE A 808 -3.825 -9.076 17.610 1.00 0.00 H new ATOM 0 HA ILE A 808 -2.483 -6.597 18.122 1.00 0.00 H new ATOM 0 HB ILE A 808 -3.937 -5.754 16.284 1.00 0.00 H new ATOM 0 HG12 ILE A 808 -5.222 -7.812 15.143 1.00 0.00 H new ATOM 0 HG13 ILE A 808 -5.319 -8.359 16.805 1.00 0.00 H new ATOM 0 HG21 ILE A 808 -3.068 -7.230 14.514 1.00 0.00 H new ATOM 0 HG22 ILE A 808 -1.833 -6.884 15.747 1.00 0.00 H new ATOM 0 HG23 ILE A 808 -2.666 -8.457 15.739 1.00 0.00 H new ATOM 0 HD11 ILE A 808 -7.309 -7.081 16.187 1.00 0.00 H new ATOM 0 HD12 ILE A 808 -6.393 -6.235 17.456 1.00 0.00 H new ATOM 0 HD13 ILE A 808 -6.295 -5.679 15.768 1.00 0.00 H new ATOM 85 N GLN A 809 -4.274 -5.072 19.111 1.00 0.00 N ATOM 86 CA GLN A 809 -5.185 -4.302 19.950 1.00 0.00 C ATOM 87 C GLN A 809 -5.987 -3.310 19.114 1.00 0.00 C ATOM 88 O GLN A 809 -5.622 -3.001 17.980 1.00 0.00 O ATOM 89 CB GLN A 809 -4.406 -3.559 21.036 1.00 0.00 C ATOM 90 CG GLN A 809 -3.846 -4.471 22.116 1.00 0.00 C ATOM 91 CD GLN A 809 -2.487 -5.038 21.754 1.00 0.00 C ATOM 92 OE1 GLN A 809 -1.810 -4.533 20.858 1.00 0.00 O ATOM 93 NE2 GLN A 809 -2.080 -6.092 22.451 1.00 0.00 N ATOM 0 H GLN A 809 -3.472 -4.545 18.765 1.00 0.00 H new ATOM 0 HA GLN A 809 -5.880 -4.997 20.422 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -3.585 -3.012 20.573 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -5.060 -2.820 21.499 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -3.766 -3.915 23.050 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -4.543 -5.291 22.291 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -2.674 -6.478 23.185 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -1.174 -6.516 22.252 1.00 0.00 H new ATOM 102 N MET A 810 -7.081 -2.814 19.682 1.00 0.00 N ATOM 103 CA MET A 810 -7.935 -1.856 18.989 1.00 0.00 C ATOM 104 C MET A 810 -7.918 -0.503 19.694 1.00 0.00 C ATOM 105 O MET A 810 -8.105 -0.422 20.909 1.00 0.00 O ATOM 106 CB MET A 810 -9.368 -2.384 18.907 1.00 0.00 C ATOM 107 CG MET A 810 -10.011 -2.611 20.265 1.00 0.00 C ATOM 108 SD MET A 810 -10.818 -1.133 20.909 1.00 0.00 S ATOM 109 CE MET A 810 -11.486 -1.755 22.450 1.00 0.00 C ATOM 0 H MET A 810 -7.397 -3.059 20.620 1.00 0.00 H new ATOM 0 HA MET A 810 -7.546 -1.724 17.979 1.00 0.00 H new ATOM 0 HB2 MET A 810 -9.975 -1.678 18.340 1.00 0.00 H new ATOM 0 HB3 MET A 810 -9.370 -3.322 18.352 1.00 0.00 H new ATOM 0 HG2 MET A 810 -10.743 -3.414 20.186 1.00 0.00 H new ATOM 0 HG3 MET A 810 -9.250 -2.942 20.972 1.00 0.00 H new ATOM 0 HE1 MET A 810 -12.016 -0.955 22.966 1.00 0.00 H new ATOM 0 HE2 MET A 810 -12.176 -2.573 22.244 1.00 0.00 H new ATOM 0 HE3 MET A 810 -10.673 -2.116 23.079 1.00 0.00 H new ATOM 119 N LYS A 811 -7.692 0.557 18.926 1.00 0.00 N ATOM 120 CA LYS A 811 -7.652 1.907 19.476 1.00 0.00 C ATOM 121 C LYS A 811 -7.901 2.945 18.388 1.00 0.00 C ATOM 122 O LYS A 811 -7.316 2.878 17.308 1.00 0.00 O ATOM 123 CB LYS A 811 -6.299 2.167 20.144 1.00 0.00 C ATOM 124 CG LYS A 811 -6.231 3.492 20.882 1.00 0.00 C ATOM 125 CD LYS A 811 -5.785 4.619 19.966 1.00 0.00 C ATOM 126 CE LYS A 811 -5.277 5.814 20.758 1.00 0.00 C ATOM 127 NZ LYS A 811 -3.978 5.525 21.425 1.00 0.00 N ATOM 0 H LYS A 811 -7.534 0.507 17.920 1.00 0.00 H new ATOM 0 HA LYS A 811 -8.442 1.992 20.222 1.00 0.00 H new ATOM 0 HB2 LYS A 811 -6.088 1.359 20.845 1.00 0.00 H new ATOM 0 HB3 LYS A 811 -5.517 2.143 19.385 1.00 0.00 H new ATOM 0 HG2 LYS A 811 -7.210 3.727 21.300 1.00 0.00 H new ATOM 0 HG3 LYS A 811 -5.539 3.408 21.720 1.00 0.00 H new ATOM 0 HD2 LYS A 811 -4.998 4.260 19.302 1.00 0.00 H new ATOM 0 HD3 LYS A 811 -6.618 4.927 19.335 1.00 0.00 H new ATOM 0 HE2 LYS A 811 -5.161 6.669 20.092 1.00 0.00 H new ATOM 0 HE3 LYS A 811 -6.016 6.093 21.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 -3.510 6.419 21.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 -4.147 4.969 22.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 -3.368 4.985 20.778 1.00 0.00 H new ATOM 141 N GLU A 812 -8.773 3.905 18.681 1.00 0.00 N ATOM 142 CA GLU A 812 -9.099 4.958 17.726 1.00 0.00 C ATOM 143 C GLU A 812 -9.762 6.141 18.426 1.00 0.00 C ATOM 144 O GLU A 812 -10.873 6.027 18.946 1.00 0.00 O ATOM 145 CB GLU A 812 -10.020 4.417 16.631 1.00 0.00 C ATOM 146 CG GLU A 812 -11.172 3.581 17.163 1.00 0.00 C ATOM 147 CD GLU A 812 -12.275 3.389 16.140 1.00 0.00 C ATOM 148 OE1 GLU A 812 -12.460 4.288 15.293 1.00 0.00 O ATOM 149 OE2 GLU A 812 -12.952 2.341 16.186 1.00 0.00 O ATOM 0 H GLU A 812 -9.266 3.975 19.571 1.00 0.00 H new ATOM 0 HA GLU A 812 -8.170 5.301 17.271 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -10.423 5.254 16.060 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -9.433 3.813 15.940 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -10.796 2.606 17.473 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -11.584 4.061 18.051 1.00 0.00 H new ATOM 156 N THR A 813 -9.073 7.278 18.436 1.00 0.00 N ATOM 157 CA THR A 813 -9.593 8.481 19.072 1.00 0.00 C ATOM 158 C THR A 813 -9.952 9.540 18.036 1.00 0.00 C ATOM 159 O THR A 813 -9.413 9.548 16.929 1.00 0.00 O ATOM 160 CB THR A 813 -8.577 9.075 20.066 1.00 0.00 C ATOM 161 OG1 THR A 813 -7.327 9.308 19.407 1.00 0.00 O ATOM 162 CG2 THR A 813 -8.367 8.142 21.248 1.00 0.00 C ATOM 0 H THR A 813 -8.153 7.390 18.010 1.00 0.00 H new ATOM 0 HA THR A 813 -10.492 8.188 19.614 1.00 0.00 H new ATOM 0 HB THR A 813 -8.974 10.020 20.437 1.00 0.00 H new ATOM 0 HG1 THR A 813 -6.687 9.687 20.045 1.00 0.00 H new ATOM 0 HG21 THR A 813 -7.646 8.583 21.936 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.315 7.990 21.764 1.00 0.00 H new ATOM 0 HG23 THR A 813 -7.990 7.183 20.892 1.00 0.00 H new ATOM 170 N VAL A 814 -10.866 10.434 18.402 1.00 0.00 N ATOM 171 CA VAL A 814 -11.296 11.499 17.504 1.00 0.00 C ATOM 172 C VAL A 814 -10.741 12.848 17.947 1.00 0.00 C ATOM 173 O VAL A 814 -10.992 13.297 19.065 1.00 0.00 O ATOM 174 CB VAL A 814 -12.832 11.587 17.432 1.00 0.00 C ATOM 175 CG1 VAL A 814 -13.260 12.736 16.532 1.00 0.00 C ATOM 176 CG2 VAL A 814 -13.418 10.270 16.946 1.00 0.00 C ATOM 0 H VAL A 814 -11.323 10.441 19.314 1.00 0.00 H new ATOM 0 HA VAL A 814 -10.907 11.256 16.515 1.00 0.00 H new ATOM 0 HB VAL A 814 -13.215 11.781 18.434 1.00 0.00 H new ATOM 0 HG11 VAL A 814 -14.348 12.782 16.494 1.00 0.00 H new ATOM 0 HG12 VAL A 814 -12.871 13.674 16.929 1.00 0.00 H new ATOM 0 HG13 VAL A 814 -12.868 12.577 15.527 1.00 0.00 H new ATOM 0 HG21 VAL A 814 -14.504 10.350 16.901 1.00 0.00 H new ATOM 0 HG22 VAL A 814 -13.029 10.043 15.953 1.00 0.00 H new ATOM 0 HG23 VAL A 814 -13.141 9.472 17.635 1.00 0.00 H new ATOM 186 N GLU A 815 -9.986 13.491 17.061 1.00 0.00 N ATOM 187 CA GLU A 815 -9.395 14.790 17.362 1.00 0.00 C ATOM 188 C GLU A 815 -8.976 15.506 16.081 1.00 0.00 C ATOM 189 O GLU A 815 -8.176 14.989 15.303 1.00 0.00 O ATOM 190 CB GLU A 815 -8.186 14.624 18.285 1.00 0.00 C ATOM 191 CG GLU A 815 -7.913 15.839 19.155 1.00 0.00 C ATOM 192 CD GLU A 815 -6.450 15.972 19.530 1.00 0.00 C ATOM 193 OE1 GLU A 815 -5.590 15.627 18.692 1.00 0.00 O ATOM 194 OE2 GLU A 815 -6.164 16.419 20.660 1.00 0.00 O ATOM 0 H GLU A 815 -9.770 13.134 16.130 1.00 0.00 H new ATOM 0 HA GLU A 815 -10.148 15.395 17.867 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -8.345 13.757 18.926 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -7.304 14.415 17.680 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -8.232 16.738 18.627 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -8.512 15.773 20.063 1.00 0.00 H new ATOM 201 N GLU A 816 -9.524 16.699 15.871 1.00 0.00 N ATOM 202 CA GLU A 816 -9.208 17.486 14.685 1.00 0.00 C ATOM 203 C GLU A 816 -8.440 18.751 15.059 1.00 0.00 C ATOM 204 O GLU A 816 -9.023 19.827 15.185 1.00 0.00 O ATOM 205 CB GLU A 816 -10.489 17.856 13.935 1.00 0.00 C ATOM 206 CG GLU A 816 -10.249 18.305 12.504 1.00 0.00 C ATOM 207 CD GLU A 816 -9.233 17.441 11.784 1.00 0.00 C ATOM 208 OE1 GLU A 816 -9.622 16.369 11.274 1.00 0.00 O ATOM 209 OE2 GLU A 816 -8.049 17.834 11.731 1.00 0.00 O ATOM 0 H GLU A 816 -10.188 17.141 16.506 1.00 0.00 H new ATOM 0 HA GLU A 816 -8.578 16.879 14.035 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -11.158 16.995 13.929 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -10.999 18.653 14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -11.192 18.283 11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -9.905 19.339 12.505 1.00 0.00 H new ATOM 216 N GLN A 817 -7.131 18.611 15.236 1.00 0.00 N ATOM 217 CA GLN A 817 -6.284 19.742 15.597 1.00 0.00 C ATOM 218 C GLN A 817 -4.868 19.555 15.060 1.00 0.00 C ATOM 219 O GLN A 817 -4.397 18.429 14.903 1.00 0.00 O ATOM 220 CB GLN A 817 -6.247 19.914 17.116 1.00 0.00 C ATOM 221 CG GLN A 817 -5.931 21.333 17.560 1.00 0.00 C ATOM 222 CD GLN A 817 -6.697 22.376 16.772 1.00 0.00 C ATOM 223 OE1 GLN A 817 -6.180 22.951 15.813 1.00 0.00 O ATOM 224 NE2 GLN A 817 -7.939 22.627 17.172 1.00 0.00 N ATOM 0 H GLN A 817 -6.633 17.726 15.136 1.00 0.00 H new ATOM 0 HA GLN A 817 -6.708 20.640 15.147 1.00 0.00 H new ATOM 0 HB2 GLN A 817 -7.211 19.619 17.530 1.00 0.00 H new ATOM 0 HB3 GLN A 817 -5.501 19.237 17.532 1.00 0.00 H new ATOM 0 HG2 GLN A 817 -6.166 21.439 18.619 1.00 0.00 H new ATOM 0 HG3 GLN A 817 -4.862 21.514 17.451 1.00 0.00 H new ATOM 0 HE21 GLN A 817 -8.328 22.127 17.972 1.00 0.00 H new ATOM 0 HE22 GLN A 817 -8.503 23.319 16.679 1.00 0.00 H new ATOM 233 N ALA A 818 -4.195 20.666 14.781 1.00 0.00 N ATOM 234 CA ALA A 818 -2.833 20.625 14.264 1.00 0.00 C ATOM 235 C ALA A 818 -1.814 20.754 15.390 1.00 0.00 C ATOM 236 O ALA A 818 -1.609 21.839 15.934 1.00 0.00 O ATOM 237 CB ALA A 818 -2.626 21.725 13.233 1.00 0.00 C ATOM 0 H ALA A 818 -4.571 21.606 14.904 1.00 0.00 H new ATOM 0 HA ALA A 818 -2.683 19.659 13.783 1.00 0.00 H new ATOM 0 HB1 ALA A 818 -1.604 21.682 12.856 1.00 0.00 H new ATOM 0 HB2 ALA A 818 -3.324 21.586 12.407 1.00 0.00 H new ATOM 0 HB3 ALA A 818 -2.801 22.696 13.697 1.00 0.00 H new ATOM 243 N SER A 819 -1.178 19.639 15.737 1.00 0.00 N ATOM 244 CA SER A 819 -0.183 19.627 16.803 1.00 0.00 C ATOM 245 C SER A 819 0.512 18.271 16.882 1.00 0.00 C ATOM 246 O SER A 819 -0.132 17.239 17.073 1.00 0.00 O ATOM 247 CB SER A 819 -0.839 19.955 18.146 1.00 0.00 C ATOM 248 OG SER A 819 0.079 20.585 19.022 1.00 0.00 O ATOM 0 H SER A 819 -1.334 18.733 15.295 1.00 0.00 H new ATOM 0 HA SER A 819 0.565 20.387 16.577 1.00 0.00 H new ATOM 0 HB2 SER A 819 -1.698 20.606 17.985 1.00 0.00 H new ATOM 0 HB3 SER A 819 -1.214 19.040 18.604 1.00 0.00 H new ATOM 0 HG SER A 819 -0.365 20.786 19.872 1.00 0.00 H new ATOM 254 N THR A 820 1.833 18.282 16.732 1.00 0.00 N ATOM 255 CA THR A 820 2.618 17.055 16.784 1.00 0.00 C ATOM 256 C THR A 820 2.492 16.379 18.145 1.00 0.00 C ATOM 257 O THR A 820 2.562 17.034 19.185 1.00 0.00 O ATOM 258 CB THR A 820 4.106 17.327 16.495 1.00 0.00 C ATOM 259 OG1 THR A 820 4.246 18.000 15.239 1.00 0.00 O ATOM 260 CG2 THR A 820 4.899 16.029 16.472 1.00 0.00 C ATOM 0 H THR A 820 2.382 19.127 16.574 1.00 0.00 H new ATOM 0 HA THR A 820 2.221 16.393 16.014 1.00 0.00 H new ATOM 0 HB THR A 820 4.498 17.960 17.291 1.00 0.00 H new ATOM 0 HG1 THR A 820 5.195 18.171 15.063 1.00 0.00 H new ATOM 0 HG21 THR A 820 5.947 16.247 16.266 1.00 0.00 H new ATOM 0 HG22 THR A 820 4.814 15.534 17.439 1.00 0.00 H new ATOM 0 HG23 THR A 820 4.504 15.375 15.694 1.00 0.00 H new ATOM 268 N THR A 821 2.305 15.062 18.132 1.00 0.00 N ATOM 269 CA THR A 821 2.169 14.297 19.365 1.00 0.00 C ATOM 270 C THR A 821 2.735 12.891 19.205 1.00 0.00 C ATOM 271 O THR A 821 2.620 12.284 18.141 1.00 0.00 O ATOM 272 CB THR A 821 0.696 14.199 19.804 1.00 0.00 C ATOM 273 OG1 THR A 821 0.110 15.504 19.852 1.00 0.00 O ATOM 274 CG2 THR A 821 0.581 13.535 21.168 1.00 0.00 C ATOM 0 H THR A 821 2.244 14.504 17.281 1.00 0.00 H new ATOM 0 HA THR A 821 2.735 14.828 20.131 1.00 0.00 H new ATOM 0 HB THR A 821 0.163 13.589 19.074 1.00 0.00 H new ATOM 0 HG1 THR A 821 -0.827 15.432 20.130 1.00 0.00 H new ATOM 0 HG21 THR A 821 -0.468 13.477 21.457 1.00 0.00 H new ATOM 0 HG22 THR A 821 1.000 12.530 21.120 1.00 0.00 H new ATOM 0 HG23 THR A 821 1.129 14.122 21.906 1.00 0.00 H new ATOM 282 N GLU A 822 3.345 12.379 20.269 1.00 0.00 N ATOM 283 CA GLU A 822 3.929 11.043 20.245 1.00 0.00 C ATOM 284 C GLU A 822 3.101 10.103 19.374 1.00 0.00 C ATOM 285 O GLU A 822 3.606 9.528 18.409 1.00 0.00 O ATOM 286 CB GLU A 822 4.032 10.482 21.665 1.00 0.00 C ATOM 287 CG GLU A 822 4.437 9.018 21.712 1.00 0.00 C ATOM 288 CD GLU A 822 5.923 8.816 21.488 1.00 0.00 C ATOM 289 OE1 GLU A 822 6.699 9.750 21.779 1.00 0.00 O ATOM 290 OE2 GLU A 822 6.309 7.724 21.021 1.00 0.00 O ATOM 0 H GLU A 822 3.448 12.869 21.158 1.00 0.00 H new ATOM 0 HA GLU A 822 4.929 11.119 19.818 1.00 0.00 H new ATOM 0 HB2 GLU A 822 4.758 11.070 22.227 1.00 0.00 H new ATOM 0 HB3 GLU A 822 3.070 10.601 22.164 1.00 0.00 H new ATOM 0 HG2 GLU A 822 4.159 8.599 22.679 1.00 0.00 H new ATOM 0 HG3 GLU A 822 3.881 8.467 20.954 1.00 0.00 H new ATOM 297 N ARG A 823 1.827 9.953 19.721 1.00 0.00 N ATOM 298 CA ARG A 823 0.929 9.082 18.972 1.00 0.00 C ATOM 299 C ARG A 823 1.084 9.302 17.470 1.00 0.00 C ATOM 300 O ARG A 823 1.328 8.361 16.715 1.00 0.00 O ATOM 301 CB ARG A 823 -0.522 9.331 19.388 1.00 0.00 C ATOM 302 CG ARG A 823 -1.435 8.138 19.156 1.00 0.00 C ATOM 303 CD ARG A 823 -2.060 8.176 17.770 1.00 0.00 C ATOM 304 NE ARG A 823 -1.236 7.488 16.779 1.00 0.00 N ATOM 305 CZ ARG A 823 -1.285 6.178 16.565 1.00 0.00 C ATOM 306 NH1 ARG A 823 -2.114 5.419 17.267 1.00 0.00 N ATOM 307 NH2 ARG A 823 -0.504 5.626 15.645 1.00 0.00 N ATOM 0 H ARG A 823 1.393 10.423 20.516 1.00 0.00 H new ATOM 0 HA ARG A 823 1.193 8.049 19.199 1.00 0.00 H new ATOM 0 HB2 ARG A 823 -0.548 9.597 20.445 1.00 0.00 H new ATOM 0 HB3 ARG A 823 -0.908 10.187 18.834 1.00 0.00 H new ATOM 0 HG2 ARG A 823 -0.867 7.215 19.275 1.00 0.00 H new ATOM 0 HG3 ARG A 823 -2.221 8.128 19.911 1.00 0.00 H new ATOM 0 HD2 ARG A 823 -3.047 7.714 17.805 1.00 0.00 H new ATOM 0 HD3 ARG A 823 -2.204 9.213 17.465 1.00 0.00 H new ATOM 0 HE ARG A 823 -0.588 8.044 16.221 1.00 0.00 H new ATOM 0 HH11 ARG A 823 -2.717 5.841 17.974 1.00 0.00 H new ATOM 0 HH12 ARG A 823 -2.149 4.413 17.100 1.00 0.00 H new ATOM 0 HH21 ARG A 823 0.134 6.208 15.102 1.00 0.00 H new ATOM 0 HH22 ARG A 823 -0.542 4.620 15.481 1.00 0.00 H new ATOM 321 N VAL A 824 0.941 10.553 17.043 1.00 0.00 N ATOM 322 CA VAL A 824 1.065 10.898 15.632 1.00 0.00 C ATOM 323 C VAL A 824 2.328 10.294 15.028 1.00 0.00 C ATOM 324 O VAL A 824 2.296 9.724 13.937 1.00 0.00 O ATOM 325 CB VAL A 824 1.091 12.425 15.428 1.00 0.00 C ATOM 326 CG1 VAL A 824 1.272 12.763 13.956 1.00 0.00 C ATOM 327 CG2 VAL A 824 -0.178 13.057 15.977 1.00 0.00 C ATOM 0 H VAL A 824 0.739 11.344 17.654 1.00 0.00 H new ATOM 0 HA VAL A 824 0.191 10.486 15.127 1.00 0.00 H new ATOM 0 HB VAL A 824 1.939 12.834 15.977 1.00 0.00 H new ATOM 0 HG11 VAL A 824 1.288 13.846 13.831 1.00 0.00 H new ATOM 0 HG12 VAL A 824 2.212 12.342 13.599 1.00 0.00 H new ATOM 0 HG13 VAL A 824 0.446 12.344 13.382 1.00 0.00 H new ATOM 0 HG21 VAL A 824 -0.143 14.136 15.825 1.00 0.00 H new ATOM 0 HG22 VAL A 824 -1.044 12.645 15.458 1.00 0.00 H new ATOM 0 HG23 VAL A 824 -0.259 12.844 17.043 1.00 0.00 H new ATOM 337 N PHE A 825 3.440 10.421 15.744 1.00 0.00 N ATOM 338 CA PHE A 825 4.714 9.888 15.279 1.00 0.00 C ATOM 339 C PHE A 825 4.584 8.414 14.907 1.00 0.00 C ATOM 340 O PHE A 825 4.938 8.009 13.800 1.00 0.00 O ATOM 341 CB PHE A 825 5.788 10.061 16.356 1.00 0.00 C ATOM 342 CG PHE A 825 7.136 9.541 15.947 1.00 0.00 C ATOM 343 CD1 PHE A 825 7.934 10.259 15.072 1.00 0.00 C ATOM 344 CD2 PHE A 825 7.605 8.333 16.439 1.00 0.00 C ATOM 345 CE1 PHE A 825 9.176 9.784 14.694 1.00 0.00 C ATOM 346 CE2 PHE A 825 8.846 7.853 16.065 1.00 0.00 C ATOM 347 CZ PHE A 825 9.632 8.578 15.191 1.00 0.00 C ATOM 0 H PHE A 825 3.484 10.889 16.649 1.00 0.00 H new ATOM 0 HA PHE A 825 5.009 10.445 14.389 1.00 0.00 H new ATOM 0 HB2 PHE A 825 5.875 11.119 16.604 1.00 0.00 H new ATOM 0 HB3 PHE A 825 5.469 9.546 17.262 1.00 0.00 H new ATOM 0 HD1 PHE A 825 7.582 11.202 14.680 1.00 0.00 H new ATOM 0 HD2 PHE A 825 6.994 7.761 17.122 1.00 0.00 H new ATOM 0 HE1 PHE A 825 9.789 10.354 14.012 1.00 0.00 H new ATOM 0 HE2 PHE A 825 9.201 6.911 16.456 1.00 0.00 H new ATOM 0 HZ PHE A 825 10.601 8.203 14.897 1.00 0.00 H new ATOM 357 N GLN A 826 4.074 7.617 15.841 1.00 0.00 N ATOM 358 CA GLN A 826 3.898 6.188 15.612 1.00 0.00 C ATOM 359 C GLN A 826 3.355 5.923 14.212 1.00 0.00 C ATOM 360 O GLN A 826 3.953 5.179 13.434 1.00 0.00 O ATOM 361 CB GLN A 826 2.953 5.595 16.659 1.00 0.00 C ATOM 362 CG GLN A 826 3.409 5.827 18.091 1.00 0.00 C ATOM 363 CD GLN A 826 4.662 5.048 18.438 1.00 0.00 C ATOM 364 OE1 GLN A 826 5.616 5.004 17.659 1.00 0.00 O ATOM 365 NE2 GLN A 826 4.668 4.427 19.612 1.00 0.00 N ATOM 0 H GLN A 826 3.776 7.937 16.763 1.00 0.00 H new ATOM 0 HA GLN A 826 4.873 5.709 15.700 1.00 0.00 H new ATOM 0 HB2 GLN A 826 1.961 6.028 16.528 1.00 0.00 H new ATOM 0 HB3 GLN A 826 2.859 4.523 16.486 1.00 0.00 H new ATOM 0 HG2 GLN A 826 3.594 6.891 18.242 1.00 0.00 H new ATOM 0 HG3 GLN A 826 2.608 5.543 18.774 1.00 0.00 H new ATOM 0 HE21 GLN A 826 3.856 4.490 20.226 1.00 0.00 H new ATOM 0 HE22 GLN A 826 5.484 3.887 19.899 1.00 0.00 H new ATOM 374 N ASP A 827 2.220 6.537 13.898 1.00 0.00 N ATOM 375 CA ASP A 827 1.596 6.368 12.590 1.00 0.00 C ATOM 376 C ASP A 827 2.652 6.214 11.500 1.00 0.00 C ATOM 377 O ASP A 827 2.470 5.455 10.548 1.00 0.00 O ATOM 378 CB ASP A 827 0.691 7.561 12.276 1.00 0.00 C ATOM 379 CG ASP A 827 -0.182 7.320 11.060 1.00 0.00 C ATOM 380 OD1 ASP A 827 0.365 7.253 9.939 1.00 0.00 O ATOM 381 OD2 ASP A 827 -1.413 7.197 11.230 1.00 0.00 O ATOM 0 H ASP A 827 1.713 7.156 14.531 1.00 0.00 H new ATOM 0 HA ASP A 827 0.993 5.461 12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 827 0.058 7.770 13.138 1.00 0.00 H new ATOM 0 HB3 ASP A 827 1.305 8.446 12.109 1.00 0.00 H new ATOM 386 N ARG A 828 3.757 6.939 11.646 1.00 0.00 N ATOM 387 CA ARG A 828 4.841 6.884 10.673 1.00 0.00 C ATOM 388 C ARG A 828 5.520 5.518 10.692 1.00 0.00 C ATOM 389 O ARG A 828 5.386 4.735 9.753 1.00 0.00 O ATOM 390 CB ARG A 828 5.868 7.981 10.960 1.00 0.00 C ATOM 391 CG ARG A 828 6.787 8.277 9.786 1.00 0.00 C ATOM 392 CD ARG A 828 8.154 8.752 10.254 1.00 0.00 C ATOM 393 NE ARG A 828 8.070 9.992 11.022 1.00 0.00 N ATOM 394 CZ ARG A 828 8.037 11.198 10.467 1.00 0.00 C ATOM 395 NH1 ARG A 828 8.080 11.326 9.148 1.00 0.00 N ATOM 396 NH2 ARG A 828 7.960 12.279 11.232 1.00 0.00 N ATOM 0 H ARG A 828 3.925 7.571 12.429 1.00 0.00 H new ATOM 0 HA ARG A 828 4.415 7.045 9.682 1.00 0.00 H new ATOM 0 HB2 ARG A 828 5.343 8.895 11.239 1.00 0.00 H new ATOM 0 HB3 ARG A 828 6.472 7.686 11.818 1.00 0.00 H new ATOM 0 HG2 ARG A 828 6.901 7.380 9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 828 6.334 9.038 9.151 1.00 0.00 H new ATOM 0 HD2 ARG A 828 8.617 7.978 10.866 1.00 0.00 H new ATOM 0 HD3 ARG A 828 8.800 8.904 9.390 1.00 0.00 H new ATOM 0 HE ARG A 828 8.035 9.928 12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 828 8.139 10.497 8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 828 8.054 12.254 8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 828 7.926 12.184 12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 828 7.935 13.205 10.805 1.00 0.00 H new ATOM 410 N GLN A 829 6.250 5.241 11.768 1.00 0.00 N ATOM 411 CA GLN A 829 6.951 3.970 11.909 1.00 0.00 C ATOM 412 C GLN A 829 6.099 2.818 11.385 1.00 0.00 C ATOM 413 O GLN A 829 6.624 1.825 10.881 1.00 0.00 O ATOM 414 CB GLN A 829 7.317 3.725 13.373 1.00 0.00 C ATOM 415 CG GLN A 829 6.131 3.329 14.239 1.00 0.00 C ATOM 416 CD GLN A 829 6.541 2.526 15.458 1.00 0.00 C ATOM 417 OE1 GLN A 829 7.570 2.798 16.078 1.00 0.00 O ATOM 418 NE2 GLN A 829 5.736 1.530 15.809 1.00 0.00 N ATOM 0 H GLN A 829 6.371 5.879 12.554 1.00 0.00 H new ATOM 0 HA GLN A 829 7.865 4.020 11.317 1.00 0.00 H new ATOM 0 HB2 GLN A 829 8.071 2.940 13.424 1.00 0.00 H new ATOM 0 HB3 GLN A 829 7.769 4.629 13.782 1.00 0.00 H new ATOM 0 HG2 GLN A 829 5.605 4.228 14.561 1.00 0.00 H new ATOM 0 HG3 GLN A 829 5.430 2.745 13.643 1.00 0.00 H new ATOM 0 HE21 GLN A 829 4.893 1.340 15.267 1.00 0.00 H new ATOM 0 HE22 GLN A 829 5.960 0.955 16.621 1.00 0.00 H new ATOM 427 N TYR A 830 4.784 2.958 11.509 1.00 0.00 N ATOM 428 CA TYR A 830 3.860 1.927 11.050 1.00 0.00 C ATOM 429 C TYR A 830 3.760 1.922 9.528 1.00 0.00 C ATOM 430 O TYR A 830 3.800 0.867 8.896 1.00 0.00 O ATOM 431 CB TYR A 830 2.475 2.145 11.663 1.00 0.00 C ATOM 432 CG TYR A 830 2.356 1.643 13.084 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.420 0.284 13.369 1.00 0.00 C ATOM 434 CD2 TYR A 830 2.177 2.526 14.141 1.00 0.00 C ATOM 435 CE1 TYR A 830 2.311 -0.179 14.666 1.00 0.00 C ATOM 436 CE2 TYR A 830 2.069 2.072 15.441 1.00 0.00 C ATOM 437 CZ TYR A 830 2.135 0.718 15.698 1.00 0.00 C ATOM 438 OH TYR A 830 2.026 0.261 16.992 1.00 0.00 O ATOM 0 H TYR A 830 4.334 3.774 11.923 1.00 0.00 H new ATOM 0 HA TYR A 830 4.245 0.960 11.373 1.00 0.00 H new ATOM 0 HB2 TYR A 830 2.241 3.209 11.642 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.730 1.643 11.046 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.557 -0.422 12.563 1.00 0.00 H new ATOM 0 HD2 TYR A 830 2.121 3.586 13.943 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.363 -1.238 14.870 1.00 0.00 H new ATOM 0 HE2 TYR A 830 1.934 2.773 16.252 1.00 0.00 H new ATOM 0 HH TYR A 830 1.907 1.021 17.599 1.00 0.00 H new ATOM 448 N GLN A 831 3.631 3.111 8.947 1.00 0.00 N ATOM 449 CA GLN A 831 3.526 3.245 7.499 1.00 0.00 C ATOM 450 C GLN A 831 4.708 2.579 6.803 1.00 0.00 C ATOM 451 O GLN A 831 4.539 1.879 5.803 1.00 0.00 O ATOM 452 CB GLN A 831 3.453 4.721 7.106 1.00 0.00 C ATOM 453 CG GLN A 831 2.071 5.330 7.281 1.00 0.00 C ATOM 454 CD GLN A 831 0.986 4.525 6.592 1.00 0.00 C ATOM 455 OE1 GLN A 831 1.218 3.916 5.548 1.00 0.00 O ATOM 456 NE2 GLN A 831 -0.207 4.518 7.175 1.00 0.00 N ATOM 0 H GLN A 831 3.597 3.994 9.456 1.00 0.00 H new ATOM 0 HA GLN A 831 2.611 2.746 7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 831 4.168 5.284 7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.758 4.827 6.065 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.843 5.404 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.073 6.345 6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.355 5.037 8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.976 3.993 6.757 1.00 0.00 H new ATOM 465 N ILE A 832 5.904 2.801 7.337 1.00 0.00 N ATOM 466 CA ILE A 832 7.115 2.222 6.767 1.00 0.00 C ATOM 467 C ILE A 832 7.147 0.711 6.966 1.00 0.00 C ATOM 468 O ILE A 832 7.240 -0.051 6.003 1.00 0.00 O ATOM 469 CB ILE A 832 8.381 2.838 7.391 1.00 0.00 C ATOM 470 CG1 ILE A 832 8.457 4.333 7.072 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.623 2.119 6.886 1.00 0.00 C ATOM 472 CD1 ILE A 832 7.583 5.186 7.964 1.00 0.00 C ATOM 0 H ILE A 832 6.061 3.378 8.164 1.00 0.00 H new ATOM 0 HA ILE A 832 7.100 2.446 5.700 1.00 0.00 H new ATOM 0 HB ILE A 832 8.331 2.719 8.473 1.00 0.00 H new ATOM 0 HG12 ILE A 832 9.491 4.664 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 832 8.165 4.490 6.034 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.510 2.565 7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.569 1.065 7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.681 2.211 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 832 7.687 6.233 7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 832 6.542 4.882 7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.889 5.059 9.002 1.00 0.00 H new ATOM 484 N ASP A 833 7.068 0.283 8.222 1.00 0.00 N ATOM 485 CA ASP A 833 7.086 -1.138 8.548 1.00 0.00 C ATOM 486 C ASP A 833 6.067 -1.901 7.707 1.00 0.00 C ATOM 487 O ASP A 833 6.397 -2.903 7.073 1.00 0.00 O ATOM 488 CB ASP A 833 6.795 -1.345 10.035 1.00 0.00 C ATOM 489 CG ASP A 833 6.242 -2.726 10.330 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.679 -3.693 9.672 1.00 0.00 O ATOM 491 OD2 ASP A 833 5.374 -2.839 11.220 1.00 0.00 O ATOM 0 H ASP A 833 6.991 0.900 9.030 1.00 0.00 H new ATOM 0 HA ASP A 833 8.080 -1.525 8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.711 -1.194 10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 833 6.082 -0.592 10.371 1.00 0.00 H new ATOM 496 N ALA A 834 4.828 -1.420 7.707 1.00 0.00 N ATOM 497 CA ALA A 834 3.761 -2.057 6.944 1.00 0.00 C ATOM 498 C ALA A 834 4.133 -2.169 5.470 1.00 0.00 C ATOM 499 O ALA A 834 3.974 -3.225 4.858 1.00 0.00 O ATOM 500 CB ALA A 834 2.462 -1.281 7.105 1.00 0.00 C ATOM 0 H ALA A 834 4.538 -0.592 8.227 1.00 0.00 H new ATOM 0 HA ALA A 834 3.620 -3.065 7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.674 -1.767 6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.181 -1.257 8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.599 -0.262 6.742 1.00 0.00 H new ATOM 506 N ALA A 835 4.629 -1.073 4.904 1.00 0.00 N ATOM 507 CA ALA A 835 5.025 -1.050 3.501 1.00 0.00 C ATOM 508 C ALA A 835 6.133 -2.061 3.227 1.00 0.00 C ATOM 509 O ALA A 835 6.092 -2.785 2.232 1.00 0.00 O ATOM 510 CB ALA A 835 5.474 0.349 3.103 1.00 0.00 C ATOM 0 H ALA A 835 4.766 -0.190 5.396 1.00 0.00 H new ATOM 0 HA ALA A 835 4.159 -1.327 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.767 0.352 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.654 1.051 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.323 0.647 3.718 1.00 0.00 H new ATOM 516 N ILE A 836 7.122 -2.104 4.114 1.00 0.00 N ATOM 517 CA ILE A 836 8.240 -3.027 3.966 1.00 0.00 C ATOM 518 C ILE A 836 7.764 -4.475 3.987 1.00 0.00 C ATOM 519 O ILE A 836 7.970 -5.222 3.030 1.00 0.00 O ATOM 520 CB ILE A 836 9.287 -2.826 5.078 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.866 -1.411 5.013 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.393 -3.863 4.957 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.701 -1.044 6.220 1.00 0.00 C ATOM 0 H ILE A 836 7.171 -1.511 4.942 1.00 0.00 H new ATOM 0 HA ILE A 836 8.701 -2.813 3.002 1.00 0.00 H new ATOM 0 HB ILE A 836 8.799 -2.955 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.478 -1.318 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 836 9.048 -0.697 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.125 -3.708 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 836 9.967 -4.862 5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.881 -3.763 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 836 11.079 -0.028 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 836 10.087 -1.104 7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.539 -1.735 6.306 1.00 0.00 H new ATOM 535 N VAL A 837 7.124 -4.866 5.085 1.00 0.00 N ATOM 536 CA VAL A 837 6.615 -6.225 5.230 1.00 0.00 C ATOM 537 C VAL A 837 5.842 -6.657 3.990 1.00 0.00 C ATOM 538 O VAL A 837 6.090 -7.727 3.432 1.00 0.00 O ATOM 539 CB VAL A 837 5.701 -6.353 6.463 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.080 -7.740 6.525 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.477 -6.049 7.735 1.00 0.00 C ATOM 0 H VAL A 837 6.946 -4.261 5.887 1.00 0.00 H new ATOM 0 HA VAL A 837 7.480 -6.875 5.360 1.00 0.00 H new ATOM 0 HB VAL A 837 4.895 -5.624 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.437 -7.812 7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.488 -7.914 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 837 5.869 -8.489 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 837 5.816 -6.144 8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.304 -6.752 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.868 -5.033 7.688 1.00 0.00 H new ATOM 551 N ARG A 838 4.903 -5.820 3.563 1.00 0.00 N ATOM 552 CA ARG A 838 4.091 -6.116 2.388 1.00 0.00 C ATOM 553 C ARG A 838 4.973 -6.369 1.168 1.00 0.00 C ATOM 554 O ARG A 838 4.853 -7.401 0.508 1.00 0.00 O ATOM 555 CB ARG A 838 3.127 -4.963 2.104 1.00 0.00 C ATOM 556 CG ARG A 838 1.847 -5.023 2.922 1.00 0.00 C ATOM 557 CD ARG A 838 0.779 -5.851 2.224 1.00 0.00 C ATOM 558 NE ARG A 838 -0.472 -5.876 2.976 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.658 -6.106 2.423 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.753 -6.331 1.120 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.751 -6.113 3.175 1.00 0.00 N ATOM 0 H ARG A 838 4.685 -4.931 4.013 1.00 0.00 H new ATOM 0 HA ARG A 838 3.516 -7.019 2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.633 -4.019 2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.871 -4.967 1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 838 2.059 -5.452 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 838 1.474 -4.013 3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.596 -5.443 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.141 -6.870 2.089 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.433 -5.708 3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.914 -6.328 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -2.665 -6.507 0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -2.681 -5.942 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -3.661 -6.290 2.750 1.00 0.00 H new ATOM 575 N ILE A 839 5.856 -5.420 0.876 1.00 0.00 N ATOM 576 CA ILE A 839 6.757 -5.540 -0.263 1.00 0.00 C ATOM 577 C ILE A 839 7.576 -6.823 -0.183 1.00 0.00 C ATOM 578 O ILE A 839 7.495 -7.680 -1.063 1.00 0.00 O ATOM 579 CB ILE A 839 7.714 -4.337 -0.353 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.923 -3.038 -0.517 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.687 -4.520 -1.508 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.612 -1.831 0.080 1.00 0.00 C ATOM 0 H ILE A 839 5.966 -4.560 1.413 1.00 0.00 H new ATOM 0 HA ILE A 839 6.134 -5.565 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 839 8.286 -4.277 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.750 -2.859 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.945 -3.156 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.357 -3.662 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.271 -5.427 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.131 -4.602 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.994 -0.946 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.761 -1.989 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.578 -1.687 -0.404 1.00 0.00 H new ATOM 594 N MET A 840 8.364 -6.950 0.880 1.00 0.00 N ATOM 595 CA MET A 840 9.196 -8.131 1.077 1.00 0.00 C ATOM 596 C MET A 840 8.359 -9.404 1.005 1.00 0.00 C ATOM 597 O MET A 840 8.593 -10.266 0.158 1.00 0.00 O ATOM 598 CB MET A 840 9.916 -8.055 2.425 1.00 0.00 C ATOM 599 CG MET A 840 10.912 -6.911 2.519 1.00 0.00 C ATOM 600 SD MET A 840 11.431 -6.579 4.213 1.00 0.00 S ATOM 601 CE MET A 840 13.199 -6.388 3.995 1.00 0.00 C ATOM 0 H MET A 840 8.444 -6.250 1.618 1.00 0.00 H new ATOM 0 HA MET A 840 9.938 -8.160 0.279 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.175 -7.947 3.217 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.438 -8.995 2.602 1.00 0.00 H new ATOM 0 HG2 MET A 840 11.788 -7.146 1.914 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.466 -6.011 2.097 1.00 0.00 H new ATOM 0 HE1 MET A 840 13.723 -7.100 4.632 1.00 0.00 H new ATOM 0 HE2 MET A 840 13.459 -6.573 2.953 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.492 -5.374 4.267 1.00 0.00 H new ATOM 611 N LYS A 841 7.384 -9.517 1.900 1.00 0.00 N ATOM 612 CA LYS A 841 6.511 -10.684 1.938 1.00 0.00 C ATOM 613 C LYS A 841 6.236 -11.205 0.531 1.00 0.00 C ATOM 614 O LYS A 841 6.433 -12.386 0.246 1.00 0.00 O ATOM 615 CB LYS A 841 5.191 -10.338 2.631 1.00 0.00 C ATOM 616 CG LYS A 841 4.143 -11.432 2.527 1.00 0.00 C ATOM 617 CD LYS A 841 3.088 -11.299 3.612 1.00 0.00 C ATOM 618 CE LYS A 841 1.809 -12.033 3.239 1.00 0.00 C ATOM 619 NZ LYS A 841 0.694 -11.715 4.173 1.00 0.00 N ATOM 0 H LYS A 841 7.178 -8.814 2.610 1.00 0.00 H new ATOM 0 HA LYS A 841 7.018 -11.466 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.386 -10.133 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.792 -9.422 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 841 3.666 -11.388 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.625 -12.407 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 841 3.477 -11.697 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.868 -10.245 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 841 1.519 -11.764 2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.992 -13.107 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -0.159 -12.235 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 0.960 -11.994 5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 0.502 -10.693 4.149 1.00 0.00 H new ATOM 633 N MET A 842 5.782 -10.315 -0.346 1.00 0.00 N ATOM 634 CA MET A 842 5.484 -10.685 -1.725 1.00 0.00 C ATOM 635 C MET A 842 6.756 -11.078 -2.470 1.00 0.00 C ATOM 636 O MET A 842 6.761 -12.030 -3.250 1.00 0.00 O ATOM 637 CB MET A 842 4.792 -9.528 -2.448 1.00 0.00 C ATOM 638 CG MET A 842 3.332 -9.358 -2.064 1.00 0.00 C ATOM 639 SD MET A 842 2.223 -10.333 -3.099 1.00 0.00 S ATOM 640 CE MET A 842 0.674 -9.472 -2.840 1.00 0.00 C ATOM 0 H MET A 842 5.613 -9.333 -0.126 1.00 0.00 H new ATOM 0 HA MET A 842 4.815 -11.545 -1.707 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.326 -8.603 -2.231 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.860 -9.690 -3.524 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.198 -9.648 -1.022 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.061 -8.305 -2.139 1.00 0.00 H new ATOM 0 HE1 MET A 842 -0.113 -9.958 -3.417 1.00 0.00 H new ATOM 0 HE2 MET A 842 0.416 -9.497 -1.781 1.00 0.00 H new ATOM 0 HE3 MET A 842 0.775 -8.436 -3.164 1.00 0.00 H new ATOM 650 N ARG A 843 7.833 -10.338 -2.224 1.00 0.00 N ATOM 651 CA ARG A 843 9.110 -10.609 -2.873 1.00 0.00 C ATOM 652 C ARG A 843 10.031 -11.401 -1.951 1.00 0.00 C ATOM 653 O ARG A 843 10.723 -10.831 -1.107 1.00 0.00 O ATOM 654 CB ARG A 843 9.785 -9.299 -3.284 1.00 0.00 C ATOM 655 CG ARG A 843 8.913 -8.411 -4.156 1.00 0.00 C ATOM 656 CD ARG A 843 8.979 -8.829 -5.617 1.00 0.00 C ATOM 657 NE ARG A 843 10.232 -8.423 -6.247 1.00 0.00 N ATOM 658 CZ ARG A 843 10.432 -8.432 -7.560 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.466 -8.824 -8.378 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.601 -8.047 -8.057 1.00 0.00 N ATOM 0 H ARG A 843 7.846 -9.547 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 843 8.917 -11.206 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.067 -8.748 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.706 -9.528 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.881 -8.459 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.235 -7.374 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.871 -9.911 -5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.142 -8.388 -6.158 1.00 0.00 H new ATOM 0 HE ARG A 843 10.996 -8.115 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.566 -9.120 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.622 -8.830 -9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.347 -7.744 -7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.754 -8.054 -9.065 1.00 0.00 H new ATOM 674 N LYS A 844 10.034 -12.720 -2.116 1.00 0.00 N ATOM 675 CA LYS A 844 10.870 -13.592 -1.300 1.00 0.00 C ATOM 676 C LYS A 844 12.191 -12.911 -0.953 1.00 0.00 C ATOM 677 O LYS A 844 12.544 -12.778 0.220 1.00 0.00 O ATOM 678 CB LYS A 844 11.140 -14.907 -2.034 1.00 0.00 C ATOM 679 CG LYS A 844 10.057 -15.952 -1.829 1.00 0.00 C ATOM 680 CD LYS A 844 8.818 -15.639 -2.651 1.00 0.00 C ATOM 681 CE LYS A 844 7.962 -16.879 -2.862 1.00 0.00 C ATOM 682 NZ LYS A 844 8.422 -17.679 -4.031 1.00 0.00 N ATOM 0 H LYS A 844 9.466 -13.208 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 844 10.336 -13.803 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.240 -14.704 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 844 12.093 -15.313 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 844 10.440 -16.934 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.792 -16.000 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 844 8.230 -14.871 -2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 844 9.114 -15.231 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.991 -17.497 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 844 6.924 -16.582 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 7.813 -18.515 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 8.370 -17.097 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 9.404 -17.984 -3.878 1.00 0.00 H new ATOM 696 N THR A 845 12.917 -12.479 -1.979 1.00 0.00 N ATOM 697 CA THR A 845 14.197 -11.812 -1.783 1.00 0.00 C ATOM 698 C THR A 845 14.214 -10.445 -2.458 1.00 0.00 C ATOM 699 O THR A 845 13.790 -10.303 -3.605 1.00 0.00 O ATOM 700 CB THR A 845 15.362 -12.658 -2.331 1.00 0.00 C ATOM 701 OG1 THR A 845 15.428 -13.908 -1.638 1.00 0.00 O ATOM 702 CG2 THR A 845 16.683 -11.919 -2.184 1.00 0.00 C ATOM 0 H THR A 845 12.639 -12.580 -2.955 1.00 0.00 H new ATOM 0 HA THR A 845 14.325 -11.685 -0.708 1.00 0.00 H new ATOM 0 HB THR A 845 15.183 -12.841 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 845 16.127 -13.865 -0.952 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.491 -12.536 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.639 -10.982 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.867 -11.709 -1.130 1.00 0.00 H new ATOM 710 N LEU A 846 14.708 -9.442 -1.741 1.00 0.00 N ATOM 711 CA LEU A 846 14.782 -8.085 -2.271 1.00 0.00 C ATOM 712 C LEU A 846 15.980 -7.339 -1.694 1.00 0.00 C ATOM 713 O LEU A 846 16.394 -7.589 -0.562 1.00 0.00 O ATOM 714 CB LEU A 846 13.493 -7.323 -1.958 1.00 0.00 C ATOM 715 CG LEU A 846 13.132 -6.191 -2.919 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.630 -6.752 -4.240 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.090 -5.274 -2.296 1.00 0.00 C ATOM 0 H LEU A 846 15.064 -9.543 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 846 14.905 -8.150 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.668 -8.036 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.575 -6.908 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 846 14.031 -5.606 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.378 -5.931 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.408 -7.366 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.744 -7.361 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.845 -4.474 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.190 -5.846 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.487 -4.844 -1.376 1.00 0.00 H new ATOM 729 N SER A 847 16.533 -6.420 -2.480 1.00 0.00 N ATOM 730 CA SER A 847 17.685 -5.638 -2.048 1.00 0.00 C ATOM 731 C SER A 847 17.242 -4.339 -1.382 1.00 0.00 C ATOM 732 O SER A 847 16.057 -4.001 -1.382 1.00 0.00 O ATOM 733 CB SER A 847 18.595 -5.330 -3.239 1.00 0.00 C ATOM 734 OG SER A 847 18.036 -4.317 -4.058 1.00 0.00 O ATOM 0 H SER A 847 16.202 -6.199 -3.419 1.00 0.00 H new ATOM 0 HA SER A 847 18.240 -6.228 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 847 19.574 -5.013 -2.880 1.00 0.00 H new ATOM 0 HB3 SER A 847 18.748 -6.235 -3.827 1.00 0.00 H new ATOM 0 HG SER A 847 18.728 -3.957 -4.651 1.00 0.00 H new ATOM 740 N HIS A 848 18.201 -3.614 -0.816 1.00 0.00 N ATOM 741 CA HIS A 848 17.910 -2.351 -0.147 1.00 0.00 C ATOM 742 C HIS A 848 17.377 -1.321 -1.138 1.00 0.00 C ATOM 743 O HIS A 848 16.259 -0.827 -0.994 1.00 0.00 O ATOM 744 CB HIS A 848 19.166 -1.812 0.540 1.00 0.00 C ATOM 745 CG HIS A 848 18.907 -0.625 1.416 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.679 -0.726 2.772 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.843 0.695 1.122 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.484 0.480 3.274 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.578 1.360 2.294 1.00 0.00 N ATOM 0 H HIS A 848 19.186 -3.879 -0.807 1.00 0.00 H new ATOM 0 HA HIS A 848 17.144 -2.536 0.606 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.611 -2.606 1.140 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.898 -1.539 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.976 1.142 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.282 0.708 4.310 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.471 2.370 2.392 1.00 0.00 H new ATOM 757 N ASN A 849 18.185 -1.001 -2.144 1.00 0.00 N ATOM 758 CA ASN A 849 17.794 -0.029 -3.159 1.00 0.00 C ATOM 759 C ASN A 849 16.361 -0.271 -3.621 1.00 0.00 C ATOM 760 O ASN A 849 15.525 0.633 -3.586 1.00 0.00 O ATOM 761 CB ASN A 849 18.746 -0.099 -4.355 1.00 0.00 C ATOM 762 CG ASN A 849 20.187 0.166 -3.963 1.00 0.00 C ATOM 763 OD1 ASN A 849 21.031 -0.729 -4.017 1.00 0.00 O ATOM 764 ND2 ASN A 849 20.475 1.399 -3.564 1.00 0.00 N ATOM 0 H ASN A 849 19.114 -1.400 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 849 17.851 0.965 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 849 18.673 -1.084 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.437 0.629 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 849 21.428 1.636 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 849 19.744 2.109 -3.535 1.00 0.00 H new ATOM 771 N LEU A 850 16.083 -1.496 -4.053 1.00 0.00 N ATOM 772 CA LEU A 850 14.750 -1.858 -4.521 1.00 0.00 C ATOM 773 C LEU A 850 13.736 -1.791 -3.384 1.00 0.00 C ATOM 774 O LEU A 850 12.621 -1.297 -3.560 1.00 0.00 O ATOM 775 CB LEU A 850 14.764 -3.264 -5.124 1.00 0.00 C ATOM 776 CG LEU A 850 15.189 -3.361 -6.590 1.00 0.00 C ATOM 777 CD1 LEU A 850 14.216 -2.604 -7.479 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.604 -2.831 -6.772 1.00 0.00 C ATOM 0 H LEU A 850 16.763 -2.255 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 850 14.455 -1.142 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.434 -3.886 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.765 -3.689 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 850 15.176 -4.411 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.535 -2.684 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 850 13.218 -3.030 -7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.196 -1.554 -7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.889 -2.908 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.644 -1.787 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.293 -3.418 -6.165 1.00 0.00 H new ATOM 790 N LEU A 851 14.130 -2.288 -2.217 1.00 0.00 N ATOM 791 CA LEU A 851 13.256 -2.282 -1.049 1.00 0.00 C ATOM 792 C LEU A 851 12.775 -0.869 -0.736 1.00 0.00 C ATOM 793 O LEU A 851 11.578 -0.585 -0.783 1.00 0.00 O ATOM 794 CB LEU A 851 13.987 -2.863 0.163 1.00 0.00 C ATOM 795 CG LEU A 851 13.270 -2.733 1.506 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.944 -3.479 1.478 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.151 -3.251 2.634 1.00 0.00 C ATOM 0 H LEU A 851 15.049 -2.700 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 851 12.387 -2.901 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.176 -3.920 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.958 -2.375 0.244 1.00 0.00 H new ATOM 0 HG LEU A 851 13.066 -1.677 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.448 -3.375 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.309 -3.062 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.125 -4.535 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.624 -3.150 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.386 -4.301 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.075 -2.673 2.669 1.00 0.00 H new ATOM 809 N VAL A 852 13.715 0.015 -0.419 1.00 0.00 N ATOM 810 CA VAL A 852 13.388 1.400 -0.102 1.00 0.00 C ATOM 811 C VAL A 852 12.534 2.028 -1.198 1.00 0.00 C ATOM 812 O VAL A 852 11.584 2.758 -0.918 1.00 0.00 O ATOM 813 CB VAL A 852 14.659 2.247 0.093 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.491 1.706 1.245 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.474 2.287 -1.191 1.00 0.00 C ATOM 0 H VAL A 852 14.710 -0.204 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 852 12.824 1.386 0.831 1.00 0.00 H new ATOM 0 HB VAL A 852 14.361 3.266 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.385 2.318 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.904 1.735 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.782 0.677 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.369 2.890 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.763 1.274 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.875 2.726 -1.989 1.00 0.00 H new ATOM 825 N SER A 853 12.880 1.737 -2.448 1.00 0.00 N ATOM 826 CA SER A 853 12.147 2.276 -3.588 1.00 0.00 C ATOM 827 C SER A 853 10.652 2.010 -3.448 1.00 0.00 C ATOM 828 O SER A 853 9.848 2.940 -3.396 1.00 0.00 O ATOM 829 CB SER A 853 12.666 1.663 -4.890 1.00 0.00 C ATOM 830 OG SER A 853 11.945 2.153 -6.008 1.00 0.00 O ATOM 0 H SER A 853 13.662 1.132 -2.697 1.00 0.00 H new ATOM 0 HA SER A 853 12.305 3.354 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.725 1.893 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.579 0.577 -4.845 1.00 0.00 H new ATOM 0 HG SER A 853 12.297 1.747 -6.828 1.00 0.00 H new ATOM 836 N GLU A 854 10.287 0.733 -3.387 1.00 0.00 N ATOM 837 CA GLU A 854 8.888 0.344 -3.254 1.00 0.00 C ATOM 838 C GLU A 854 8.229 1.075 -2.087 1.00 0.00 C ATOM 839 O GLU A 854 7.206 1.738 -2.254 1.00 0.00 O ATOM 840 CB GLU A 854 8.773 -1.168 -3.053 1.00 0.00 C ATOM 841 CG GLU A 854 9.106 -1.975 -4.297 1.00 0.00 C ATOM 842 CD GLU A 854 8.372 -1.478 -5.528 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.124 -1.440 -5.500 1.00 0.00 O ATOM 844 OE2 GLU A 854 9.046 -1.126 -6.518 1.00 0.00 O ATOM 0 H GLU A 854 10.940 -0.049 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 854 8.371 0.621 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.439 -1.470 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.758 -1.408 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.180 -1.932 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 854 8.853 -3.021 -4.125 1.00 0.00 H new ATOM 851 N VAL A 855 8.823 0.946 -0.905 1.00 0.00 N ATOM 852 CA VAL A 855 8.296 1.594 0.290 1.00 0.00 C ATOM 853 C VAL A 855 7.802 3.003 -0.021 1.00 0.00 C ATOM 854 O VAL A 855 6.651 3.343 0.252 1.00 0.00 O ATOM 855 CB VAL A 855 9.357 1.668 1.404 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.879 2.560 2.539 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.691 0.274 1.914 1.00 0.00 C ATOM 0 H VAL A 855 9.669 0.399 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 855 7.460 0.987 0.636 1.00 0.00 H new ATOM 0 HB VAL A 855 10.265 2.106 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.642 2.600 3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.695 3.565 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.957 2.155 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.442 0.345 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.791 -0.193 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 855 10.080 -0.330 1.094 1.00 0.00 H new ATOM 867 N TYR A 856 8.681 3.818 -0.594 1.00 0.00 N ATOM 868 CA TYR A 856 8.335 5.192 -0.940 1.00 0.00 C ATOM 869 C TYR A 856 7.117 5.232 -1.858 1.00 0.00 C ATOM 870 O TYR A 856 6.204 6.032 -1.661 1.00 0.00 O ATOM 871 CB TYR A 856 9.521 5.883 -1.616 1.00 0.00 C ATOM 872 CG TYR A 856 10.654 6.205 -0.669 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.481 7.112 0.370 1.00 0.00 C ATOM 874 CD2 TYR A 856 11.898 5.603 -0.812 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.514 7.410 1.237 1.00 0.00 C ATOM 876 CE2 TYR A 856 12.936 5.894 0.051 1.00 0.00 C ATOM 877 CZ TYR A 856 12.739 6.799 1.074 1.00 0.00 C ATOM 878 OH TYR A 856 13.771 7.092 1.937 1.00 0.00 O ATOM 0 H TYR A 856 9.637 3.552 -0.828 1.00 0.00 H new ATOM 0 HA TYR A 856 8.091 5.722 -0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.897 5.243 -2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.175 6.805 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.522 7.592 0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.056 4.895 -1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.363 8.118 2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 856 13.896 5.416 -0.074 1.00 0.00 H new ATOM 0 HH TYR A 856 14.522 6.486 1.766 1.00 0.00 H new ATOM 888 N ASN A 857 7.113 4.361 -2.863 1.00 0.00 N ATOM 889 CA ASN A 857 6.008 4.296 -3.813 1.00 0.00 C ATOM 890 C ASN A 857 4.675 4.148 -3.087 1.00 0.00 C ATOM 891 O ASN A 857 3.653 4.669 -3.533 1.00 0.00 O ATOM 892 CB ASN A 857 6.208 3.128 -4.780 1.00 0.00 C ATOM 893 CG ASN A 857 5.080 3.011 -5.786 1.00 0.00 C ATOM 894 OD1 ASN A 857 5.110 3.636 -6.846 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.075 2.206 -5.458 1.00 0.00 N ATOM 0 H ASN A 857 7.862 3.691 -3.040 1.00 0.00 H new ATOM 0 HA ASN A 857 5.992 5.228 -4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.152 3.256 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.284 2.200 -4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.288 2.087 -6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 857 4.091 1.707 -4.569 1.00 0.00 H new ATOM 902 N GLN A 858 4.694 3.433 -1.966 1.00 0.00 N ATOM 903 CA GLN A 858 3.486 3.215 -1.179 1.00 0.00 C ATOM 904 C GLN A 858 3.211 4.404 -0.264 1.00 0.00 C ATOM 905 O GLN A 858 2.063 4.815 -0.089 1.00 0.00 O ATOM 906 CB GLN A 858 3.616 1.937 -0.349 1.00 0.00 C ATOM 907 CG GLN A 858 3.822 0.686 -1.187 1.00 0.00 C ATOM 908 CD GLN A 858 3.384 -0.576 -0.469 1.00 0.00 C ATOM 909 OE1 GLN A 858 4.110 -1.110 0.369 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.191 -1.059 -0.795 1.00 0.00 N ATOM 0 H GLN A 858 5.532 2.995 -1.583 1.00 0.00 H new ATOM 0 HA GLN A 858 2.648 3.108 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.454 2.045 0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.718 1.814 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 858 3.264 0.782 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.876 0.601 -1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 858 1.622 -0.583 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.843 -1.906 -0.345 1.00 0.00 H new ATOM 919 N LEU A 859 4.272 4.953 0.318 1.00 0.00 N ATOM 920 CA LEU A 859 4.145 6.096 1.216 1.00 0.00 C ATOM 921 C LEU A 859 4.198 7.408 0.440 1.00 0.00 C ATOM 922 O LEU A 859 5.215 7.741 -0.169 1.00 0.00 O ATOM 923 CB LEU A 859 5.255 6.068 2.269 1.00 0.00 C ATOM 924 CG LEU A 859 5.506 4.719 2.943 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.498 4.870 4.086 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.199 4.122 3.444 1.00 0.00 C ATOM 0 H LEU A 859 5.229 4.626 0.184 1.00 0.00 H new ATOM 0 HA LEU A 859 3.178 6.029 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.183 6.395 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 859 5.014 6.798 3.041 1.00 0.00 H new ATOM 0 HG LEU A 859 5.933 4.040 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.664 3.900 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.442 5.253 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 859 6.099 5.565 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.397 3.162 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.743 4.799 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.520 3.977 2.604 1.00 0.00 H new ATOM 938 N LYS A 860 3.097 8.150 0.466 1.00 0.00 N ATOM 939 CA LYS A 860 3.017 9.428 -0.232 1.00 0.00 C ATOM 940 C LYS A 860 3.565 10.556 0.635 1.00 0.00 C ATOM 941 O LYS A 860 3.180 11.715 0.479 1.00 0.00 O ATOM 942 CB LYS A 860 1.569 9.729 -0.624 1.00 0.00 C ATOM 943 CG LYS A 860 1.117 9.007 -1.882 1.00 0.00 C ATOM 944 CD LYS A 860 -0.388 9.100 -2.068 1.00 0.00 C ATOM 945 CE LYS A 860 -1.121 8.088 -1.201 1.00 0.00 C ATOM 946 NZ LYS A 860 -1.454 8.643 0.140 1.00 0.00 N ATOM 0 H LYS A 860 2.246 7.888 0.964 1.00 0.00 H new ATOM 0 HA LYS A 860 3.624 9.359 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.913 9.450 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.457 10.803 -0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.619 9.436 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 860 1.414 7.960 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -0.725 10.106 -1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.637 8.931 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -2.037 7.776 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -0.504 7.197 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -0.882 8.165 0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.250 9.663 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -2.463 8.489 0.339 1.00 0.00 H new ATOM 960 N PHE A 861 4.467 10.211 1.549 1.00 0.00 N ATOM 961 CA PHE A 861 5.068 11.195 2.440 1.00 0.00 C ATOM 962 C PHE A 861 6.572 10.970 2.565 1.00 0.00 C ATOM 963 O PHE A 861 7.073 9.856 2.407 1.00 0.00 O ATOM 964 CB PHE A 861 4.415 11.129 3.822 1.00 0.00 C ATOM 965 CG PHE A 861 4.932 10.008 4.677 1.00 0.00 C ATOM 966 CD1 PHE A 861 4.499 8.708 4.474 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.853 10.255 5.683 1.00 0.00 C ATOM 968 CE1 PHE A 861 4.973 7.675 5.260 1.00 0.00 C ATOM 969 CE2 PHE A 861 6.331 9.225 6.472 1.00 0.00 C ATOM 970 CZ PHE A 861 5.891 7.933 6.260 1.00 0.00 C ATOM 0 H PHE A 861 4.797 9.256 1.691 1.00 0.00 H new ATOM 0 HA PHE A 861 4.901 12.184 2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 861 4.580 12.075 4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.338 11.016 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 861 3.783 8.499 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.201 11.263 5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 861 4.626 6.666 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 861 7.048 9.431 7.253 1.00 0.00 H new ATOM 0 HZ PHE A 861 6.263 7.127 6.874 1.00 0.00 H new ATOM 980 N PRO A 862 7.310 12.051 2.855 1.00 0.00 N ATOM 981 CA PRO A 862 8.767 11.998 3.007 1.00 0.00 C ATOM 982 C PRO A 862 9.191 11.250 4.266 1.00 0.00 C ATOM 983 O PRO A 862 8.635 11.463 5.344 1.00 0.00 O ATOM 984 CB PRO A 862 9.168 13.472 3.100 1.00 0.00 C ATOM 985 CG PRO A 862 7.954 14.164 3.616 1.00 0.00 C ATOM 986 CD PRO A 862 6.779 13.410 3.056 1.00 0.00 C ATOM 0 HA PRO A 862 9.244 11.464 2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.017 13.610 3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.463 13.864 2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 862 7.936 14.161 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 862 7.935 15.207 3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 862 5.934 13.414 3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.430 13.847 2.121 1.00 0.00 H new ATOM 994 N VAL A 863 10.180 10.374 4.124 1.00 0.00 N ATOM 995 CA VAL A 863 10.680 9.595 5.251 1.00 0.00 C ATOM 996 C VAL A 863 12.200 9.670 5.339 1.00 0.00 C ATOM 997 O VAL A 863 12.908 9.255 4.421 1.00 0.00 O ATOM 998 CB VAL A 863 10.255 8.119 5.146 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.852 7.308 6.287 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.738 8.001 5.136 1.00 0.00 C ATOM 0 H VAL A 863 10.651 10.186 3.239 1.00 0.00 H new ATOM 0 HA VAL A 863 10.245 10.027 6.152 1.00 0.00 H new ATOM 0 HB VAL A 863 10.635 7.716 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.540 6.267 6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.940 7.366 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.504 7.709 7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.455 6.951 5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.334 8.421 6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.336 8.547 4.282 1.00 0.00 H new ATOM 1010 N LYS A 864 12.698 10.200 6.451 1.00 0.00 N ATOM 1011 CA LYS A 864 14.135 10.328 6.662 1.00 0.00 C ATOM 1012 C LYS A 864 14.846 9.008 6.380 1.00 0.00 C ATOM 1013 O LYS A 864 14.262 7.929 6.475 1.00 0.00 O ATOM 1014 CB LYS A 864 14.423 10.779 8.096 1.00 0.00 C ATOM 1015 CG LYS A 864 14.100 12.241 8.351 1.00 0.00 C ATOM 1016 CD LYS A 864 14.747 12.740 9.632 1.00 0.00 C ATOM 1017 CE LYS A 864 16.139 13.297 9.374 1.00 0.00 C ATOM 1018 NZ LYS A 864 16.103 14.485 8.477 1.00 0.00 N ATOM 0 H LYS A 864 12.127 10.548 7.221 1.00 0.00 H new ATOM 0 HA LYS A 864 14.513 11.079 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.845 10.163 8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.476 10.604 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 864 14.445 12.843 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 864 13.020 12.370 8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 864 14.122 13.513 10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.808 11.924 10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 864 16.602 13.571 10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 864 16.763 12.523 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 16.905 15.110 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 16.168 14.174 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 15.212 15.001 8.620 1.00 0.00 H new ATOM 1032 N PRO A 865 16.137 9.094 6.026 1.00 0.00 N ATOM 1033 CA PRO A 865 16.955 7.916 5.726 1.00 0.00 C ATOM 1034 C PRO A 865 17.250 7.083 6.968 1.00 0.00 C ATOM 1035 O PRO A 865 17.267 5.853 6.913 1.00 0.00 O ATOM 1036 CB PRO A 865 18.247 8.516 5.165 1.00 0.00 C ATOM 1037 CG PRO A 865 18.319 9.881 5.756 1.00 0.00 C ATOM 1038 CD PRO A 865 16.897 10.349 5.893 1.00 0.00 C ATOM 0 HA PRO A 865 16.452 7.234 5.040 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.115 7.918 5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.224 8.557 4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.818 9.861 6.725 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.891 10.553 5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.767 10.992 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.577 10.923 5.023 1.00 0.00 H new ATOM 1046 N ALA A 866 17.481 7.760 8.088 1.00 0.00 N ATOM 1047 CA ALA A 866 17.773 7.081 9.345 1.00 0.00 C ATOM 1048 C ALA A 866 16.601 6.209 9.782 1.00 0.00 C ATOM 1049 O ALA A 866 16.768 5.022 10.061 1.00 0.00 O ATOM 1050 CB ALA A 866 18.112 8.096 10.426 1.00 0.00 C ATOM 0 H ALA A 866 17.472 8.778 8.151 1.00 0.00 H new ATOM 0 HA ALA A 866 18.635 6.433 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 866 18.328 7.575 11.359 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.985 8.673 10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 866 17.266 8.768 10.573 1.00 0.00 H new ATOM 1056 N ASP A 867 15.416 6.806 9.842 1.00 0.00 N ATOM 1057 CA ASP A 867 14.215 6.084 10.246 1.00 0.00 C ATOM 1058 C ASP A 867 13.988 4.866 9.355 1.00 0.00 C ATOM 1059 O ASP A 867 13.931 3.734 9.836 1.00 0.00 O ATOM 1060 CB ASP A 867 12.996 7.006 10.191 1.00 0.00 C ATOM 1061 CG ASP A 867 13.050 8.100 11.239 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.551 7.872 12.361 1.00 0.00 O ATOM 1063 OD2 ASP A 867 13.592 9.184 10.937 1.00 0.00 O ATOM 0 H ASP A 867 15.261 7.789 9.616 1.00 0.00 H new ATOM 0 HA ASP A 867 14.355 5.741 11.271 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.930 7.458 9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 867 12.091 6.416 10.333 1.00 0.00 H new ATOM 1068 N LEU A 868 13.858 5.107 8.055 1.00 0.00 N ATOM 1069 CA LEU A 868 13.636 4.030 7.097 1.00 0.00 C ATOM 1070 C LEU A 868 14.535 2.836 7.401 1.00 0.00 C ATOM 1071 O LEU A 868 14.056 1.722 7.612 1.00 0.00 O ATOM 1072 CB LEU A 868 13.893 4.527 5.673 1.00 0.00 C ATOM 1073 CG LEU A 868 13.387 3.626 4.546 1.00 0.00 C ATOM 1074 CD1 LEU A 868 11.868 3.570 4.549 1.00 0.00 C ATOM 1075 CD2 LEU A 868 13.902 4.116 3.200 1.00 0.00 C ATOM 0 H LEU A 868 13.902 6.038 7.641 1.00 0.00 H new ATOM 0 HA LEU A 868 12.598 3.710 7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.430 5.508 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 868 14.967 4.665 5.546 1.00 0.00 H new ATOM 0 HG LEU A 868 13.767 2.618 4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 868 11.526 2.924 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.520 3.172 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.467 4.573 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 868 13.532 3.463 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 868 13.551 5.133 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 868 14.992 4.103 3.201 1.00 0.00 H new ATOM 1087 N LYS A 869 15.842 3.077 7.424 1.00 0.00 N ATOM 1088 CA LYS A 869 16.810 2.023 7.706 1.00 0.00 C ATOM 1089 C LYS A 869 16.482 1.321 9.020 1.00 0.00 C ATOM 1090 O LYS A 869 16.348 0.098 9.065 1.00 0.00 O ATOM 1091 CB LYS A 869 18.224 2.604 7.765 1.00 0.00 C ATOM 1092 CG LYS A 869 18.794 2.956 6.402 1.00 0.00 C ATOM 1093 CD LYS A 869 20.260 3.348 6.495 1.00 0.00 C ATOM 1094 CE LYS A 869 20.422 4.824 6.827 1.00 0.00 C ATOM 1095 NZ LYS A 869 21.776 5.125 7.368 1.00 0.00 N ATOM 0 H LYS A 869 16.255 3.993 7.251 1.00 0.00 H new ATOM 0 HA LYS A 869 16.758 1.291 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.215 3.499 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.883 1.885 8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.686 2.104 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.223 3.778 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 869 20.751 2.746 7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.757 3.130 5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 869 20.249 5.419 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 869 19.666 5.118 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 21.847 6.140 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 21.932 4.576 8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 22.496 4.869 6.663 1.00 0.00 H new ATOM 1109 N LYS A 870 16.352 2.102 10.086 1.00 0.00 N ATOM 1110 CA LYS A 870 16.037 1.556 11.401 1.00 0.00 C ATOM 1111 C LYS A 870 14.872 0.575 11.318 1.00 0.00 C ATOM 1112 O LYS A 870 14.974 -0.565 11.770 1.00 0.00 O ATOM 1113 CB LYS A 870 15.699 2.685 12.377 1.00 0.00 C ATOM 1114 CG LYS A 870 16.911 3.479 12.832 1.00 0.00 C ATOM 1115 CD LYS A 870 16.529 4.889 13.251 1.00 0.00 C ATOM 1116 CE LYS A 870 16.186 4.957 14.731 1.00 0.00 C ATOM 1117 NZ LYS A 870 16.278 6.346 15.259 1.00 0.00 N ATOM 0 H LYS A 870 16.460 3.116 10.066 1.00 0.00 H new ATOM 0 HA LYS A 870 16.914 1.021 11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.988 3.362 11.904 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.203 2.262 13.251 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.390 2.967 13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.642 3.524 12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 870 17.353 5.569 13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.675 5.226 12.663 1.00 0.00 H new ATOM 0 HE2 LYS A 870 15.177 4.575 14.888 1.00 0.00 H new ATOM 0 HE3 LYS A 870 16.862 4.310 15.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 16.037 6.350 16.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 17.247 6.702 15.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 15.614 6.958 14.743 1.00 0.00 H new ATOM 1131 N ARG A 871 13.765 1.027 10.737 1.00 0.00 N ATOM 1132 CA ARG A 871 12.581 0.189 10.595 1.00 0.00 C ATOM 1133 C ARG A 871 12.927 -1.130 9.910 1.00 0.00 C ATOM 1134 O ARG A 871 12.559 -2.204 10.387 1.00 0.00 O ATOM 1135 CB ARG A 871 11.503 0.923 9.796 1.00 0.00 C ATOM 1136 CG ARG A 871 11.099 2.258 10.401 1.00 0.00 C ATOM 1137 CD ARG A 871 10.529 2.084 11.801 1.00 0.00 C ATOM 1138 NE ARG A 871 9.269 1.345 11.791 1.00 0.00 N ATOM 1139 CZ ARG A 871 8.808 0.665 12.834 1.00 0.00 C ATOM 1140 NH1 ARG A 871 9.499 0.630 13.965 1.00 0.00 N ATOM 1141 NH2 ARG A 871 7.653 0.018 12.748 1.00 0.00 N ATOM 0 H ARG A 871 13.664 1.968 10.357 1.00 0.00 H new ATOM 0 HA ARG A 871 12.199 -0.029 11.593 1.00 0.00 H new ATOM 0 HB2 ARG A 871 11.864 1.088 8.781 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.622 0.286 9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.965 2.919 10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.358 2.739 9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 871 11.253 1.558 12.424 1.00 0.00 H new ATOM 0 HD3 ARG A 871 10.371 3.063 12.253 1.00 0.00 H new ATOM 0 HE ARG A 871 8.713 1.352 10.936 1.00 0.00 H new ATOM 0 HH11 ARG A 871 10.387 1.126 14.035 1.00 0.00 H new ATOM 0 HH12 ARG A 871 9.142 0.107 14.765 1.00 0.00 H new ATOM 0 HH21 ARG A 871 7.118 0.043 11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 871 7.300 -0.504 13.550 1.00 0.00 H new ATOM 1155 N ILE A 872 13.635 -1.041 8.789 1.00 0.00 N ATOM 1156 CA ILE A 872 14.031 -2.226 8.039 1.00 0.00 C ATOM 1157 C ILE A 872 14.771 -3.218 8.930 1.00 0.00 C ATOM 1158 O ILE A 872 14.411 -4.393 8.998 1.00 0.00 O ATOM 1159 CB ILE A 872 14.927 -1.861 6.841 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.181 -0.932 5.882 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.385 -3.120 6.119 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.086 -0.226 4.897 1.00 0.00 C ATOM 0 H ILE A 872 13.946 -0.160 8.380 1.00 0.00 H new ATOM 0 HA ILE A 872 13.115 -2.686 7.669 1.00 0.00 H new ATOM 0 HB ILE A 872 15.808 -1.337 7.212 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.440 -1.511 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 872 13.637 -0.186 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.017 -2.846 5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 872 15.951 -3.749 6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.515 -3.669 5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 872 14.489 0.415 4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 872 15.811 0.381 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 872 15.611 -0.965 4.292 1.00 0.00 H new ATOM 1174 N GLU A 873 15.805 -2.736 9.612 1.00 0.00 N ATOM 1175 CA GLU A 873 16.594 -3.581 10.500 1.00 0.00 C ATOM 1176 C GLU A 873 15.700 -4.293 11.511 1.00 0.00 C ATOM 1177 O GLU A 873 15.651 -5.522 11.556 1.00 0.00 O ATOM 1178 CB GLU A 873 17.648 -2.747 11.232 1.00 0.00 C ATOM 1179 CG GLU A 873 18.774 -2.264 10.333 1.00 0.00 C ATOM 1180 CD GLU A 873 19.824 -1.473 11.088 1.00 0.00 C ATOM 1181 OE1 GLU A 873 19.446 -0.534 11.819 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.023 -1.792 10.947 1.00 0.00 O ATOM 0 H GLU A 873 16.116 -1.765 9.567 1.00 0.00 H new ATOM 0 HA GLU A 873 17.096 -4.334 9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.163 -1.884 11.689 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.071 -3.341 12.042 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.245 -3.122 9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.359 -1.644 9.538 1.00 0.00 H new ATOM 1189 N SER A 874 14.995 -3.510 12.322 1.00 0.00 N ATOM 1190 CA SER A 874 14.106 -4.064 13.337 1.00 0.00 C ATOM 1191 C SER A 874 13.333 -5.259 12.787 1.00 0.00 C ATOM 1192 O SER A 874 13.356 -6.347 13.364 1.00 0.00 O ATOM 1193 CB SER A 874 13.131 -2.994 13.830 1.00 0.00 C ATOM 1194 OG SER A 874 13.823 -1.907 14.420 1.00 0.00 O ATOM 0 H SER A 874 15.022 -2.491 12.296 1.00 0.00 H new ATOM 0 HA SER A 874 14.716 -4.402 14.175 1.00 0.00 H new ATOM 0 HB2 SER A 874 12.527 -2.635 12.996 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.445 -3.430 14.556 1.00 0.00 H new ATOM 0 HG SER A 874 14.212 -1.346 13.717 1.00 0.00 H new ATOM 1200 N LEU A 875 12.647 -5.048 11.669 1.00 0.00 N ATOM 1201 CA LEU A 875 11.865 -6.106 11.040 1.00 0.00 C ATOM 1202 C LEU A 875 12.707 -7.363 10.846 1.00 0.00 C ATOM 1203 O LEU A 875 12.322 -8.452 11.272 1.00 0.00 O ATOM 1204 CB LEU A 875 11.319 -5.632 9.692 1.00 0.00 C ATOM 1205 CG LEU A 875 10.084 -4.732 9.748 1.00 0.00 C ATOM 1206 CD1 LEU A 875 9.863 -4.045 8.409 1.00 0.00 C ATOM 1207 CD2 LEU A 875 8.855 -5.538 10.144 1.00 0.00 C ATOM 0 H LEU A 875 12.617 -4.154 11.180 1.00 0.00 H new ATOM 0 HA LEU A 875 11.031 -6.347 11.698 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.111 -5.096 9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.078 -6.509 9.091 1.00 0.00 H new ATOM 0 HG LEU A 875 10.251 -3.965 10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 875 8.980 -3.409 8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 875 10.733 -3.436 8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.717 -4.797 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 875 7.985 -4.882 10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.685 -6.327 9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.013 -5.984 11.126 1.00 0.00 H new ATOM 1219 N ILE A 876 13.859 -7.205 10.202 1.00 0.00 N ATOM 1220 CA ILE A 876 14.756 -8.326 9.955 1.00 0.00 C ATOM 1221 C ILE A 876 14.990 -9.133 11.228 1.00 0.00 C ATOM 1222 O ILE A 876 14.927 -10.363 11.216 1.00 0.00 O ATOM 1223 CB ILE A 876 16.114 -7.850 9.406 1.00 0.00 C ATOM 1224 CG1 ILE A 876 15.918 -7.084 8.096 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.046 -9.035 9.198 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.149 -6.327 7.649 1.00 0.00 C ATOM 0 H ILE A 876 14.193 -6.311 9.842 1.00 0.00 H new ATOM 0 HA ILE A 876 14.273 -8.958 9.210 1.00 0.00 H new ATOM 0 HB ILE A 876 16.569 -7.178 10.134 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.629 -7.786 7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.093 -6.382 8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.002 -8.683 8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.206 -9.543 10.149 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.599 -9.729 8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 876 16.937 -5.808 6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.427 -5.601 8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 876 17.971 -7.026 7.497 1.00 0.00 H new ATOM 1238 N ASP A 877 15.260 -8.433 12.324 1.00 0.00 N ATOM 1239 CA ASP A 877 15.501 -9.084 13.607 1.00 0.00 C ATOM 1240 C ASP A 877 14.192 -9.558 14.230 1.00 0.00 C ATOM 1241 O ASP A 877 14.193 -10.328 15.191 1.00 0.00 O ATOM 1242 CB ASP A 877 16.218 -8.128 14.561 1.00 0.00 C ATOM 1243 CG ASP A 877 17.052 -8.860 15.594 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.559 -9.957 15.280 1.00 0.00 O ATOM 1245 OD2 ASP A 877 17.200 -8.334 16.718 1.00 0.00 O ATOM 0 H ASP A 877 15.318 -7.415 12.350 1.00 0.00 H new ATOM 0 HA ASP A 877 16.135 -9.953 13.432 1.00 0.00 H new ATOM 0 HB2 ASP A 877 16.860 -7.460 13.987 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.481 -7.505 15.068 1.00 0.00 H new ATOM 1250 N ARG A 878 13.076 -9.093 13.677 1.00 0.00 N ATOM 1251 CA ARG A 878 11.760 -9.467 14.180 1.00 0.00 C ATOM 1252 C ARG A 878 11.287 -10.773 13.547 1.00 0.00 C ATOM 1253 O ARG A 878 10.090 -10.981 13.349 1.00 0.00 O ATOM 1254 CB ARG A 878 10.748 -8.356 13.898 1.00 0.00 C ATOM 1255 CG ARG A 878 10.784 -7.227 14.915 1.00 0.00 C ATOM 1256 CD ARG A 878 9.603 -6.284 14.744 1.00 0.00 C ATOM 1257 NE ARG A 878 9.912 -4.931 15.198 1.00 0.00 N ATOM 1258 CZ ARG A 878 8.990 -4.056 15.583 1.00 0.00 C ATOM 1259 NH1 ARG A 878 7.707 -4.391 15.568 1.00 0.00 N ATOM 1260 NH2 ARG A 878 9.350 -2.844 15.983 1.00 0.00 N ATOM 0 H ARG A 878 13.057 -8.456 12.880 1.00 0.00 H new ATOM 0 HA ARG A 878 11.839 -9.613 15.257 1.00 0.00 H new ATOM 0 HB2 ARG A 878 10.938 -7.946 12.906 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.746 -8.785 13.879 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.776 -7.643 15.922 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.714 -6.669 14.808 1.00 0.00 H new ATOM 0 HD2 ARG A 878 9.311 -6.256 13.694 1.00 0.00 H new ATOM 0 HD3 ARG A 878 8.749 -6.668 15.303 1.00 0.00 H new ATOM 0 HE ARG A 878 10.890 -4.642 15.221 1.00 0.00 H new ATOM 0 HH11 ARG A 878 7.427 -5.322 15.260 1.00 0.00 H new ATOM 0 HH12 ARG A 878 7.001 -3.717 15.864 1.00 0.00 H new ATOM 0 HH21 ARG A 878 10.336 -2.583 15.995 1.00 0.00 H new ATOM 0 HH22 ARG A 878 8.641 -2.173 16.278 1.00 0.00 H new ATOM 1274 N ASP A 879 12.235 -11.648 13.231 1.00 0.00 N ATOM 1275 CA ASP A 879 11.916 -12.934 12.621 1.00 0.00 C ATOM 1276 C ASP A 879 11.044 -12.747 11.384 1.00 0.00 C ATOM 1277 O ASP A 879 10.024 -13.418 11.224 1.00 0.00 O ATOM 1278 CB ASP A 879 11.206 -13.839 13.629 1.00 0.00 C ATOM 1279 CG ASP A 879 11.810 -13.745 15.017 1.00 0.00 C ATOM 1280 OD1 ASP A 879 11.560 -12.735 15.706 1.00 0.00 O ATOM 1281 OD2 ASP A 879 12.532 -14.684 15.413 1.00 0.00 O ATOM 0 H ASP A 879 13.231 -11.491 13.387 1.00 0.00 H new ATOM 0 HA ASP A 879 12.850 -13.406 12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.151 -13.569 13.676 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.255 -14.872 13.284 1.00 0.00 H new ATOM 1286 N TYR A 880 11.450 -11.830 10.513 1.00 0.00 N ATOM 1287 CA TYR A 880 10.703 -11.552 9.292 1.00 0.00 C ATOM 1288 C TYR A 880 11.599 -11.684 8.064 1.00 0.00 C ATOM 1289 O TYR A 880 11.168 -12.167 7.017 1.00 0.00 O ATOM 1290 CB TYR A 880 10.099 -10.147 9.347 1.00 0.00 C ATOM 1291 CG TYR A 880 8.828 -10.067 10.162 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.612 -10.478 9.630 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.843 -9.581 11.463 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.448 -10.405 10.370 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.684 -9.506 12.211 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.489 -9.919 11.660 1.00 0.00 C ATOM 1297 OH TYR A 880 5.332 -9.846 12.401 1.00 0.00 O ATOM 0 H TYR A 880 12.292 -11.267 10.630 1.00 0.00 H new ATOM 0 HA TYR A 880 9.899 -12.283 9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.834 -9.461 9.767 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.892 -9.810 8.332 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.576 -10.861 8.621 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.777 -9.256 11.897 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.511 -10.727 9.941 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.714 -9.126 13.222 1.00 0.00 H new ATOM 0 HH TYR A 880 5.534 -9.483 13.288 1.00 0.00 H new ATOM 1307 N MET A 881 12.848 -11.252 8.201 1.00 0.00 N ATOM 1308 CA MET A 881 13.805 -11.323 7.103 1.00 0.00 C ATOM 1309 C MET A 881 15.194 -11.691 7.617 1.00 0.00 C ATOM 1310 O MET A 881 15.482 -11.554 8.805 1.00 0.00 O ATOM 1311 CB MET A 881 13.861 -9.988 6.358 1.00 0.00 C ATOM 1312 CG MET A 881 12.503 -9.506 5.874 1.00 0.00 C ATOM 1313 SD MET A 881 11.878 -10.471 4.486 1.00 0.00 S ATOM 1314 CE MET A 881 12.849 -9.798 3.140 1.00 0.00 C ATOM 0 H MET A 881 13.221 -10.849 9.061 1.00 0.00 H new ATOM 0 HA MET A 881 13.473 -12.100 6.414 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.293 -9.233 7.014 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.529 -10.086 5.502 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.790 -9.556 6.697 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.577 -8.459 5.580 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.199 -9.241 2.465 1.00 0.00 H new ATOM 0 HE2 MET A 881 13.613 -9.132 3.540 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.327 -10.611 2.594 1.00 0.00 H new ATOM 1324 N GLU A 882 16.050 -12.157 6.713 1.00 0.00 N ATOM 1325 CA GLU A 882 17.408 -12.545 7.077 1.00 0.00 C ATOM 1326 C GLU A 882 18.425 -11.918 6.128 1.00 0.00 C ATOM 1327 O GLU A 882 18.218 -11.882 4.915 1.00 0.00 O ATOM 1328 CB GLU A 882 17.549 -14.068 7.060 1.00 0.00 C ATOM 1329 CG GLU A 882 17.326 -14.685 5.690 1.00 0.00 C ATOM 1330 CD GLU A 882 17.964 -16.054 5.556 1.00 0.00 C ATOM 1331 OE1 GLU A 882 17.472 -17.003 6.202 1.00 0.00 O ATOM 1332 OE2 GLU A 882 18.955 -16.177 4.806 1.00 0.00 O ATOM 0 H GLU A 882 15.828 -12.275 5.725 1.00 0.00 H new ATOM 0 HA GLU A 882 17.605 -12.181 8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.545 -14.336 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.836 -14.498 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.255 -14.767 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.733 -14.022 4.926 1.00 0.00 H new ATOM 1339 N ARG A 883 19.525 -11.426 6.689 1.00 0.00 N ATOM 1340 CA ARG A 883 20.574 -10.800 5.894 1.00 0.00 C ATOM 1341 C ARG A 883 21.406 -11.852 5.166 1.00 0.00 C ATOM 1342 O ARG A 883 22.026 -12.711 5.794 1.00 0.00 O ATOM 1343 CB ARG A 883 21.478 -9.946 6.785 1.00 0.00 C ATOM 1344 CG ARG A 883 20.789 -8.714 7.349 1.00 0.00 C ATOM 1345 CD ARG A 883 21.767 -7.823 8.099 1.00 0.00 C ATOM 1346 NE ARG A 883 22.397 -8.521 9.217 1.00 0.00 N ATOM 1347 CZ ARG A 883 21.795 -8.738 10.381 1.00 0.00 C ATOM 1348 NH1 ARG A 883 20.555 -8.315 10.579 1.00 0.00 N ATOM 1349 NH2 ARG A 883 22.435 -9.381 11.350 1.00 0.00 N ATOM 0 H ARG A 883 19.713 -11.449 7.691 1.00 0.00 H new ATOM 0 HA ARG A 883 20.099 -10.160 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.843 -10.558 7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.350 -9.633 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.329 -8.149 6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 883 19.986 -9.020 8.020 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.536 -7.470 7.412 1.00 0.00 H new ATOM 0 HD3 ARG A 883 21.243 -6.942 8.470 1.00 0.00 H new ATOM 0 HE ARG A 883 23.351 -8.860 9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 883 20.060 -7.821 9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 883 20.096 -8.483 11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 883 23.389 -9.709 11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 883 21.972 -9.547 12.244 1.00 0.00 H new ATOM 1363 N ASP A 884 21.415 -11.778 3.840 1.00 0.00 N ATOM 1364 CA ASP A 884 22.171 -12.723 3.026 1.00 0.00 C ATOM 1365 C ASP A 884 23.629 -12.776 3.469 1.00 0.00 C ATOM 1366 O ASP A 884 24.316 -11.754 3.507 1.00 0.00 O ATOM 1367 CB ASP A 884 22.087 -12.337 1.548 1.00 0.00 C ATOM 1368 CG ASP A 884 22.775 -13.344 0.648 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.933 -14.509 1.071 1.00 0.00 O ATOM 1370 OD2 ASP A 884 23.154 -12.969 -0.481 1.00 0.00 O ATOM 0 H ASP A 884 20.907 -11.073 3.305 1.00 0.00 H new ATOM 0 HA ASP A 884 21.733 -13.712 3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 884 21.040 -12.249 1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.541 -11.356 1.405 1.00 0.00 H new ATOM 1375 N LYS A 885 24.097 -13.973 3.805 1.00 0.00 N ATOM 1376 CA LYS A 885 25.474 -14.161 4.246 1.00 0.00 C ATOM 1377 C LYS A 885 26.444 -13.421 3.331 1.00 0.00 C ATOM 1378 O LYS A 885 27.459 -12.893 3.785 1.00 0.00 O ATOM 1379 CB LYS A 885 25.823 -15.651 4.278 1.00 0.00 C ATOM 1380 CG LYS A 885 25.503 -16.322 5.603 1.00 0.00 C ATOM 1381 CD LYS A 885 25.217 -17.803 5.423 1.00 0.00 C ATOM 1382 CE LYS A 885 26.501 -18.610 5.314 1.00 0.00 C ATOM 1383 NZ LYS A 885 26.239 -20.076 5.332 1.00 0.00 N ATOM 0 H LYS A 885 23.542 -14.829 3.780 1.00 0.00 H new ATOM 0 HA LYS A 885 25.566 -13.751 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 885 25.280 -16.160 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.885 -15.771 4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 885 26.340 -16.193 6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 885 24.640 -15.837 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 885 24.629 -18.166 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 885 24.615 -17.952 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 885 27.019 -18.345 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 885 27.164 -18.350 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 27.140 -20.591 5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 25.767 -20.333 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 25.627 -20.329 4.530 1.00 0.00 H new ATOM 1397 N GLU A 886 26.124 -13.386 2.041 1.00 0.00 N ATOM 1398 CA GLU A 886 26.968 -12.709 1.063 1.00 0.00 C ATOM 1399 C GLU A 886 27.024 -11.209 1.338 1.00 0.00 C ATOM 1400 O GLU A 886 28.101 -10.616 1.387 1.00 0.00 O ATOM 1401 CB GLU A 886 26.447 -12.960 -0.354 1.00 0.00 C ATOM 1402 CG GLU A 886 27.045 -14.191 -1.013 1.00 0.00 C ATOM 1403 CD GLU A 886 28.331 -13.888 -1.757 1.00 0.00 C ATOM 1404 OE1 GLU A 886 28.369 -12.879 -2.491 1.00 0.00 O ATOM 1405 OE2 GLU A 886 29.301 -14.661 -1.604 1.00 0.00 O ATOM 0 H GLU A 886 25.287 -13.818 1.649 1.00 0.00 H new ATOM 0 HA GLU A 886 27.976 -13.114 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 886 25.363 -13.067 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.662 -12.087 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 886 27.239 -14.947 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 886 26.320 -14.616 -1.707 1.00 0.00 H new ATOM 1412 N ASN A 887 25.855 -10.602 1.517 1.00 0.00 N ATOM 1413 CA ASN A 887 25.771 -9.171 1.786 1.00 0.00 C ATOM 1414 C ASN A 887 24.468 -8.829 2.502 1.00 0.00 C ATOM 1415 O ASN A 887 23.402 -9.362 2.193 1.00 0.00 O ATOM 1416 CB ASN A 887 25.872 -8.379 0.481 1.00 0.00 C ATOM 1417 CG ASN A 887 26.204 -6.918 0.716 1.00 0.00 C ATOM 1418 OD1 ASN A 887 25.360 -6.143 1.167 1.00 0.00 O ATOM 1419 ND2 ASN A 887 27.438 -6.535 0.409 1.00 0.00 N ATOM 0 H ASN A 887 24.954 -11.078 1.481 1.00 0.00 H new ATOM 0 HA ASN A 887 26.604 -8.898 2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 887 26.638 -8.825 -0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 887 24.928 -8.452 -0.059 1.00 0.00 H new ATOM 0 HD21 ASN A 887 27.719 -5.564 0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.105 -7.212 0.038 1.00 0.00 H new ATOM 1426 N PRO A 888 24.554 -7.917 3.483 1.00 0.00 N ATOM 1427 CA PRO A 888 23.392 -7.482 4.263 1.00 0.00 C ATOM 1428 C PRO A 888 22.419 -6.646 3.437 1.00 0.00 C ATOM 1429 O PRO A 888 21.337 -6.294 3.905 1.00 0.00 O ATOM 1430 CB PRO A 888 24.010 -6.636 5.379 1.00 0.00 C ATOM 1431 CG PRO A 888 25.300 -6.150 4.815 1.00 0.00 C ATOM 1432 CD PRO A 888 25.792 -7.241 3.905 1.00 0.00 C ATOM 0 HA PRO A 888 22.805 -8.326 4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.359 -5.805 5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.170 -7.226 6.281 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.160 -5.218 4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.021 -5.948 5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.340 -6.837 3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.466 -7.923 4.423 1.00 0.00 H new ATOM 1440 N ASN A 889 22.813 -6.333 2.207 1.00 0.00 N ATOM 1441 CA ASN A 889 21.975 -5.538 1.316 1.00 0.00 C ATOM 1442 C ASN A 889 20.794 -6.357 0.806 1.00 0.00 C ATOM 1443 O ASN A 889 19.676 -5.852 0.699 1.00 0.00 O ATOM 1444 CB ASN A 889 22.799 -5.019 0.136 1.00 0.00 C ATOM 1445 CG ASN A 889 23.702 -3.864 0.525 1.00 0.00 C ATOM 1446 OD1 ASN A 889 23.689 -3.409 1.668 1.00 0.00 O ATOM 1447 ND2 ASN A 889 24.492 -3.385 -0.429 1.00 0.00 N ATOM 0 H ASN A 889 23.706 -6.617 1.805 1.00 0.00 H new ATOM 0 HA ASN A 889 21.588 -4.690 1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.405 -5.831 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.127 -4.699 -0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.122 -2.608 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 889 24.469 -3.794 -1.363 1.00 0.00 H new ATOM 1454 N GLN A 890 21.050 -7.623 0.492 1.00 0.00 N ATOM 1455 CA GLN A 890 20.007 -8.511 -0.007 1.00 0.00 C ATOM 1456 C GLN A 890 19.332 -9.258 1.139 1.00 0.00 C ATOM 1457 O GLN A 890 19.967 -10.050 1.836 1.00 0.00 O ATOM 1458 CB GLN A 890 20.595 -9.510 -1.006 1.00 0.00 C ATOM 1459 CG GLN A 890 19.627 -10.613 -1.405 1.00 0.00 C ATOM 1460 CD GLN A 890 19.891 -11.145 -2.799 1.00 0.00 C ATOM 1461 OE1 GLN A 890 20.826 -11.917 -3.015 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.066 -10.735 -3.756 1.00 0.00 N ATOM 0 H GLN A 890 21.970 -8.056 0.574 1.00 0.00 H new ATOM 0 HA GLN A 890 19.256 -7.902 -0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.910 -8.973 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.488 -9.961 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.699 -11.431 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.607 -10.232 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 890 18.304 -10.095 -3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.194 -11.060 -4.714 1.00 0.00 H new ATOM 1471 N TYR A 891 18.044 -8.999 1.329 1.00 0.00 N ATOM 1472 CA TYR A 891 17.283 -9.644 2.393 1.00 0.00 C ATOM 1473 C TYR A 891 16.454 -10.801 1.845 1.00 0.00 C ATOM 1474 O TYR A 891 16.016 -10.776 0.695 1.00 0.00 O ATOM 1475 CB TYR A 891 16.371 -8.629 3.084 1.00 0.00 C ATOM 1476 CG TYR A 891 17.039 -7.301 3.356 1.00 0.00 C ATOM 1477 CD1 TYR A 891 17.882 -7.136 4.448 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.828 -6.210 2.521 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.494 -5.924 4.702 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.437 -4.995 2.766 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.269 -4.856 3.857 1.00 0.00 C ATOM 1482 OH TYR A 891 18.878 -3.647 4.105 1.00 0.00 O ATOM 0 H TYR A 891 17.504 -8.347 0.760 1.00 0.00 H new ATOM 0 HA TYR A 891 17.990 -10.041 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.491 -8.463 2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.021 -9.050 4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.062 -7.970 5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.177 -6.314 1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.145 -5.813 5.557 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.263 -4.158 2.106 1.00 0.00 H new ATOM 0 HH TYR A 891 18.548 -2.978 3.469 1.00 0.00 H new ATOM 1492 N ASN A 892 16.240 -11.814 2.678 1.00 0.00 N ATOM 1493 CA ASN A 892 15.463 -12.981 2.279 1.00 0.00 C ATOM 1494 C ASN A 892 14.212 -13.123 3.141 1.00 0.00 C ATOM 1495 O ASN A 892 14.208 -12.748 4.314 1.00 0.00 O ATOM 1496 CB ASN A 892 16.315 -14.248 2.385 1.00 0.00 C ATOM 1497 CG ASN A 892 17.656 -14.102 1.693 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.727 -13.723 0.524 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.730 -14.403 2.415 1.00 0.00 N ATOM 0 H ASN A 892 16.594 -11.850 3.634 1.00 0.00 H new ATOM 0 HA ASN A 892 15.155 -12.844 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.476 -14.488 3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.772 -15.085 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.660 -14.324 2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.625 -14.713 3.381 1.00 0.00 H new ATOM 1506 N TYR A 893 13.153 -13.667 2.552 1.00 0.00 N ATOM 1507 CA TYR A 893 11.895 -13.856 3.265 1.00 0.00 C ATOM 1508 C TYR A 893 11.938 -15.120 4.118 1.00 0.00 C ATOM 1509 O TYR A 893 12.256 -16.204 3.627 1.00 0.00 O ATOM 1510 CB TYR A 893 10.731 -13.935 2.276 1.00 0.00 C ATOM 1511 CG TYR A 893 9.371 -13.902 2.937 1.00 0.00 C ATOM 1512 CD1 TYR A 893 9.032 -12.886 3.822 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.427 -14.888 2.678 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.791 -12.852 4.429 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.184 -14.861 3.279 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.871 -13.842 4.154 1.00 0.00 C ATOM 1517 OH TYR A 893 5.634 -13.813 4.756 1.00 0.00 O ATOM 0 H TYR A 893 13.140 -13.985 1.583 1.00 0.00 H new ATOM 0 HA TYR A 893 11.747 -12.999 3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.805 -13.104 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.821 -14.853 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.751 -12.110 4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.669 -15.689 1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.543 -12.055 5.114 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.461 -15.634 3.065 1.00 0.00 H new ATOM 0 HH TYR A 893 5.105 -14.581 4.454 1.00 0.00 H new ATOM 1527 N ILE A 894 11.615 -14.973 5.398 1.00 0.00 N ATOM 1528 CA ILE A 894 11.614 -16.102 6.321 1.00 0.00 C ATOM 1529 C ILE A 894 10.233 -16.311 6.932 1.00 0.00 C ATOM 1530 O ILE A 894 9.823 -17.443 7.190 1.00 0.00 O ATOM 1531 CB ILE A 894 12.640 -15.904 7.453 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.553 -14.481 8.007 1.00 0.00 C ATOM 1533 CG2 ILE A 894 14.046 -16.198 6.951 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.587 -14.182 9.069 1.00 0.00 C ATOM 0 H ILE A 894 11.350 -14.083 5.820 1.00 0.00 H new ATOM 0 HA ILE A 894 11.889 -16.984 5.742 1.00 0.00 H new ATOM 0 HB ILE A 894 12.409 -16.602 8.258 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.671 -13.773 7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.559 -14.323 8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.760 -16.054 7.762 1.00 0.00 H new ATOM 0 HG22 ILE A 894 14.099 -17.229 6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.288 -15.523 6.130 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.466 -13.156 9.416 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.456 -14.866 9.907 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.585 -14.308 8.650 1.00 0.00 H new ATOM 1546 N ALA A 895 9.520 -15.213 7.160 1.00 0.00 N ATOM 1547 CA ALA A 895 8.183 -15.277 7.737 1.00 0.00 C ATOM 1548 C ALA A 895 7.278 -16.197 6.925 1.00 0.00 C ATOM 1549 O ALA A 895 7.547 -16.475 5.757 1.00 0.00 O ATOM 1550 CB ALA A 895 7.580 -13.883 7.826 1.00 0.00 C ATOM 0 H ALA A 895 9.846 -14.269 6.954 1.00 0.00 H new ATOM 0 HA ALA A 895 8.267 -15.689 8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.581 -13.945 8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.209 -13.254 8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.516 -13.450 6.828 1.00 0.00 H new ATOM 1556 N SER A 896 6.205 -16.668 7.553 1.00 0.00 N ATOM 1557 CA SER A 896 5.262 -17.561 6.889 1.00 0.00 C ATOM 1558 C SER A 896 3.826 -17.219 7.276 1.00 0.00 C ATOM 1559 O SER A 896 3.426 -17.384 8.428 1.00 0.00 O ATOM 1560 CB SER A 896 5.567 -19.016 7.249 1.00 0.00 C ATOM 1561 OG SER A 896 5.418 -19.240 8.640 1.00 0.00 O ATOM 0 H SER A 896 5.967 -16.446 8.520 1.00 0.00 H new ATOM 0 HA SER A 896 5.370 -17.430 5.812 1.00 0.00 H new ATOM 0 HB2 SER A 896 4.899 -19.678 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 896 6.584 -19.264 6.945 1.00 0.00 H new ATOM 0 HG SER A 896 4.707 -18.663 8.990 1.00 0.00 H new ATOM 1567 N GLY A 897 3.055 -16.742 6.304 1.00 0.00 N ATOM 1568 CA GLY A 897 1.673 -16.384 6.561 1.00 0.00 C ATOM 1569 C GLY A 897 0.702 -17.453 6.100 1.00 0.00 C ATOM 1570 O GLY A 897 0.903 -18.105 5.075 1.00 0.00 O ATOM 0 H GLY A 897 3.363 -16.597 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 897 1.538 -16.211 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 897 1.444 -15.446 6.055 1.00 0.00 H new ATOM 1574 N PRO A 898 -0.380 -17.647 6.869 1.00 0.00 N ATOM 1575 CA PRO A 898 -1.406 -18.645 6.555 1.00 0.00 C ATOM 1576 C PRO A 898 -2.227 -18.265 5.327 1.00 0.00 C ATOM 1577 O PRO A 898 -3.180 -17.492 5.420 1.00 0.00 O ATOM 1578 CB PRO A 898 -2.289 -18.653 7.806 1.00 0.00 C ATOM 1579 CG PRO A 898 -2.102 -17.304 8.409 1.00 0.00 C ATOM 1580 CD PRO A 898 -0.684 -16.906 8.105 1.00 0.00 C ATOM 0 HA PRO A 898 -0.971 -19.616 6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 898 -3.334 -18.832 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 898 -1.989 -19.441 8.497 1.00 0.00 H new ATOM 0 HG2 PRO A 898 -2.807 -16.587 7.988 1.00 0.00 H new ATOM 0 HG3 PRO A 898 -2.278 -17.330 9.484 1.00 0.00 H new ATOM 0 HD2 PRO A 898 -0.591 -15.830 7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 898 -0.007 -17.180 8.915 1.00 0.00 H new ATOM 1588 N SER A 899 -1.851 -18.815 4.176 1.00 0.00 N ATOM 1589 CA SER A 899 -2.550 -18.531 2.929 1.00 0.00 C ATOM 1590 C SER A 899 -4.037 -18.849 3.055 1.00 0.00 C ATOM 1591 O SER A 899 -4.415 -19.928 3.512 1.00 0.00 O ATOM 1592 CB SER A 899 -1.939 -19.339 1.782 1.00 0.00 C ATOM 1593 OG SER A 899 -2.712 -19.213 0.601 1.00 0.00 O ATOM 0 H SER A 899 -1.066 -19.460 4.082 1.00 0.00 H new ATOM 0 HA SER A 899 -2.441 -17.468 2.714 1.00 0.00 H new ATOM 0 HB2 SER A 899 -0.922 -18.996 1.593 1.00 0.00 H new ATOM 0 HB3 SER A 899 -1.873 -20.389 2.067 1.00 0.00 H new ATOM 0 HG SER A 899 -2.300 -19.737 -0.117 1.00 0.00 H new ATOM 1599 N SER A 900 -4.875 -17.902 2.645 1.00 0.00 N ATOM 1600 CA SER A 900 -6.321 -18.079 2.715 1.00 0.00 C ATOM 1601 C SER A 900 -6.960 -17.878 1.345 1.00 0.00 C ATOM 1602 O SER A 900 -6.747 -16.857 0.692 1.00 0.00 O ATOM 1603 CB SER A 900 -6.927 -17.099 3.722 1.00 0.00 C ATOM 1604 OG SER A 900 -7.009 -15.794 3.177 1.00 0.00 O ATOM 0 H SER A 900 -4.578 -17.005 2.261 1.00 0.00 H new ATOM 0 HA SER A 900 -6.522 -19.099 3.044 1.00 0.00 H new ATOM 0 HB2 SER A 900 -7.921 -17.439 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 900 -6.320 -17.081 4.627 1.00 0.00 H new ATOM 0 HG SER A 900 -7.083 -15.851 2.201 1.00 0.00 H new ATOM 1610 N GLY A 901 -7.745 -18.861 0.914 1.00 0.00 N ATOM 1611 CA GLY A 901 -8.403 -18.774 -0.376 1.00 0.00 C ATOM 1612 C GLY A 901 -9.849 -19.225 -0.321 1.00 0.00 C ATOM 1613 O GLY A 901 -10.734 -18.562 -0.862 1.00 0.00 O ATOM 0 H GLY A 901 -7.937 -19.716 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -8.360 -17.745 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -7.862 -19.386 -1.098 1.00 0.00 H new TER 1617 GLY A 901