USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 840 MET CE :methyl -130:sc= -1.2 (180deg=-4.22!) USER MOD Set 1.2: A 881 MET CE :methyl -176:sc= -4.52! (180deg=-4.64!) USER MOD Set 2.1: A 848 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.5) USER MOD Set 2.2: A 891 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 845 THR OG1 : rot -111:sc= 0.764 USER MOD Set 3.2: A 892 ASN : amide:sc= -0.0287 K(o=0.74,f=0.19) USER MOD Single : A 802 SER OG : rot 180:sc=-0.00367 USER MOD Single : A 803 SER OG : rot 180:sc= -0.0442 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= -0.991 X(o=-0.99,f=-1) USER MOD Single : A 810 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 THR OG1 : rot 180:sc= 0 USER MOD Single : A 817 GLN : amide:sc= -0.725 K(o=-0.73,f=-3.4) 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 USER MOD Single : A 826 GLN : amide:sc= -0.168 K(o=-0.17,f=-2!) USER MOD Single : A 829 GLN : amide:sc= 0.0363 X(o=0.036,f=-0.012) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.924 K(o=-0.92,f=-4.7!) 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 180:sc= -0.0919 USER MOD Single : A 849 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 15:sc= 0.012 USER MOD Single : A 857 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0494) USER MOD Single : A 869 LYS NZ :NH3+ 125:sc= -0.0966 (180deg=-1.18) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot 180:sc= 0 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 887 ASN : amide:sc= 0.011 K(o=0.011,f=-1.7!) USER MOD Single : A 889 ASN : amide:sc=-0.00982 X(o=-0.0098,f=-0.44) USER MOD Single : A 890 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 896 SER OG : rot 180:sc= 0 USER MOD Single : A 899 SER OG : rot 37:sc= 1.3 USER MOD Single : A 900 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 801 -33.987 -20.296 -17.168 1.00 0.00 N ATOM 2 CA GLY A 801 -33.395 -20.278 -15.843 1.00 0.00 C ATOM 3 C GLY A 801 -32.609 -19.009 -15.576 1.00 0.00 C ATOM 4 O GLY A 801 -31.457 -18.887 -15.991 1.00 0.00 O ATOM 0 HA2 GLY A 801 -34.182 -20.378 -15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 801 -32.737 -21.140 -15.731 1.00 0.00 H new ATOM 8 N SER A 802 -33.234 -18.062 -14.883 1.00 0.00 N ATOM 9 CA SER A 802 -32.587 -16.795 -14.567 1.00 0.00 C ATOM 10 C SER A 802 -32.453 -16.615 -13.057 1.00 0.00 C ATOM 11 O SER A 802 -33.232 -17.171 -12.284 1.00 0.00 O ATOM 12 CB SER A 802 -33.381 -15.630 -15.162 1.00 0.00 C ATOM 13 OG SER A 802 -32.789 -14.386 -14.829 1.00 0.00 O ATOM 0 H SER A 802 -34.187 -18.149 -14.530 1.00 0.00 H new ATOM 0 HA SER A 802 -31.589 -16.806 -15.004 1.00 0.00 H new ATOM 0 HB2 SER A 802 -33.429 -15.735 -16.246 1.00 0.00 H new ATOM 0 HB3 SER A 802 -34.406 -15.659 -14.793 1.00 0.00 H new ATOM 0 HG SER A 802 -33.314 -13.658 -15.222 1.00 0.00 H new ATOM 19 N SER A 803 -31.460 -15.833 -12.647 1.00 0.00 N ATOM 20 CA SER A 803 -31.220 -15.582 -11.230 1.00 0.00 C ATOM 21 C SER A 803 -30.933 -14.104 -10.982 1.00 0.00 C ATOM 22 O SER A 803 -30.898 -13.302 -11.913 1.00 0.00 O ATOM 23 CB SER A 803 -30.050 -16.431 -10.731 1.00 0.00 C ATOM 24 OG SER A 803 -29.989 -16.434 -9.315 1.00 0.00 O ATOM 0 H SER A 803 -30.809 -15.362 -13.275 1.00 0.00 H new ATOM 0 HA SER A 803 -32.120 -15.857 -10.680 1.00 0.00 H new ATOM 0 HB2 SER A 803 -30.157 -17.453 -11.096 1.00 0.00 H new ATOM 0 HB3 SER A 803 -29.116 -16.043 -11.137 1.00 0.00 H new ATOM 0 HG SER A 803 -29.234 -16.985 -9.021 1.00 0.00 H new ATOM 30 N GLY A 804 -30.729 -13.752 -9.716 1.00 0.00 N ATOM 31 CA GLY A 804 -30.449 -12.372 -9.365 1.00 0.00 C ATOM 32 C GLY A 804 -29.910 -12.230 -7.955 1.00 0.00 C ATOM 33 O GLY A 804 -30.599 -12.546 -6.986 1.00 0.00 O ATOM 0 H GLY A 804 -30.753 -14.398 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -29.727 -11.960 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -31.361 -11.783 -9.463 1.00 0.00 H new ATOM 37 N SER A 805 -28.674 -11.754 -7.841 1.00 0.00 N ATOM 38 CA SER A 805 -28.042 -11.576 -6.539 1.00 0.00 C ATOM 39 C SER A 805 -27.038 -10.428 -6.576 1.00 0.00 C ATOM 40 O SER A 805 -26.394 -10.184 -7.596 1.00 0.00 O ATOM 41 CB SER A 805 -27.342 -12.867 -6.108 1.00 0.00 C ATOM 42 OG SER A 805 -26.716 -12.710 -4.846 1.00 0.00 O ATOM 0 H SER A 805 -28.091 -11.485 -8.634 1.00 0.00 H new ATOM 0 HA SER A 805 -28.819 -11.333 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 805 -28.067 -13.679 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 805 -26.599 -13.148 -6.854 1.00 0.00 H new ATOM 0 HG SER A 805 -26.277 -13.549 -4.592 1.00 0.00 H new ATOM 48 N SER A 806 -26.911 -9.726 -5.455 1.00 0.00 N ATOM 49 CA SER A 806 -25.988 -8.600 -5.358 1.00 0.00 C ATOM 50 C SER A 806 -25.381 -8.514 -3.961 1.00 0.00 C ATOM 51 O SER A 806 -25.808 -9.211 -3.042 1.00 0.00 O ATOM 52 CB SER A 806 -26.709 -7.293 -5.695 1.00 0.00 C ATOM 53 OG SER A 806 -25.800 -6.321 -6.184 1.00 0.00 O ATOM 0 H SER A 806 -27.435 -9.916 -4.601 1.00 0.00 H new ATOM 0 HA SER A 806 -25.183 -8.758 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 806 -27.481 -7.482 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 806 -27.211 -6.911 -4.806 1.00 0.00 H new ATOM 0 HG SER A 806 -26.285 -5.496 -6.394 1.00 0.00 H new ATOM 59 N GLY A 807 -24.379 -7.652 -3.810 1.00 0.00 N ATOM 60 CA GLY A 807 -23.728 -7.489 -2.524 1.00 0.00 C ATOM 61 C GLY A 807 -23.580 -6.033 -2.129 1.00 0.00 C ATOM 62 O GLY A 807 -23.580 -5.148 -2.985 1.00 0.00 O ATOM 0 H GLY A 807 -24.007 -7.064 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -24.303 -8.013 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -22.743 -7.955 -2.557 1.00 0.00 H new ATOM 66 N ILE A 808 -23.455 -5.784 -0.830 1.00 0.00 N ATOM 67 CA ILE A 808 -23.307 -4.426 -0.324 1.00 0.00 C ATOM 68 C ILE A 808 -22.123 -4.321 0.632 1.00 0.00 C ATOM 69 O ILE A 808 -21.815 -5.266 1.358 1.00 0.00 O ATOM 70 CB ILE A 808 -24.580 -3.952 0.401 1.00 0.00 C ATOM 71 CG1 ILE A 808 -24.946 -4.925 1.524 1.00 0.00 C ATOM 72 CG2 ILE A 808 -25.731 -3.816 -0.585 1.00 0.00 C ATOM 73 CD1 ILE A 808 -25.869 -4.329 2.564 1.00 0.00 C ATOM 0 H ILE A 808 -23.453 -6.505 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 808 -23.132 -3.786 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 808 -24.387 -2.974 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 808 -25.421 -5.805 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 808 -24.032 -5.264 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 808 -26.624 -3.480 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 808 -25.468 -3.089 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 808 -25.927 -4.782 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 808 -26.086 -5.075 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 808 -25.389 -3.466 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 808 -26.799 -4.016 2.089 1.00 0.00 H new ATOM 85 N GLN A 809 -21.465 -3.166 0.627 1.00 0.00 N ATOM 86 CA GLN A 809 -20.316 -2.938 1.495 1.00 0.00 C ATOM 87 C GLN A 809 -20.264 -1.487 1.959 1.00 0.00 C ATOM 88 O GLN A 809 -20.964 -0.628 1.423 1.00 0.00 O ATOM 89 CB GLN A 809 -19.020 -3.300 0.766 1.00 0.00 C ATOM 90 CG GLN A 809 -18.706 -2.386 -0.406 1.00 0.00 C ATOM 91 CD GLN A 809 -19.669 -2.568 -1.563 1.00 0.00 C ATOM 92 OE1 GLN A 809 -20.392 -1.643 -1.936 1.00 0.00 O ATOM 93 NE2 GLN A 809 -19.684 -3.765 -2.139 1.00 0.00 N ATOM 0 H GLN A 809 -21.708 -2.374 0.032 1.00 0.00 H new ATOM 0 HA GLN A 809 -20.422 -3.577 2.372 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -18.193 -3.266 1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -19.090 -4.327 0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -18.738 -1.349 -0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -17.690 -2.579 -0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -19.068 -4.503 -1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -20.311 -3.946 -2.922 1.00 0.00 H new ATOM 102 N MET A 810 -19.429 -1.220 2.958 1.00 0.00 N ATOM 103 CA MET A 810 -19.285 0.129 3.494 1.00 0.00 C ATOM 104 C MET A 810 -17.891 0.680 3.212 1.00 0.00 C ATOM 105 O MET A 810 -16.911 -0.065 3.189 1.00 0.00 O ATOM 106 CB MET A 810 -19.554 0.134 5.000 1.00 0.00 C ATOM 107 CG MET A 810 -20.986 -0.222 5.363 1.00 0.00 C ATOM 108 SD MET A 810 -22.189 0.905 4.633 1.00 0.00 S ATOM 109 CE MET A 810 -23.709 -0.005 4.897 1.00 0.00 C ATOM 0 H MET A 810 -18.842 -1.919 3.413 1.00 0.00 H new ATOM 0 HA MET A 810 -20.016 0.769 3.000 1.00 0.00 H new ATOM 0 HB2 MET A 810 -18.879 -0.572 5.484 1.00 0.00 H new ATOM 0 HB3 MET A 810 -19.322 1.121 5.399 1.00 0.00 H new ATOM 0 HG2 MET A 810 -21.199 -1.238 5.032 1.00 0.00 H new ATOM 0 HG3 MET A 810 -21.095 -0.211 6.447 1.00 0.00 H new ATOM 0 HE1 MET A 810 -24.548 0.565 4.498 1.00 0.00 H new ATOM 0 HE2 MET A 810 -23.650 -0.968 4.389 1.00 0.00 H new ATOM 0 HE3 MET A 810 -23.856 -0.167 5.965 1.00 0.00 H new ATOM 119 N LYS A 811 -17.809 1.989 2.998 1.00 0.00 N ATOM 120 CA LYS A 811 -16.535 2.640 2.719 1.00 0.00 C ATOM 121 C LYS A 811 -16.289 3.792 3.688 1.00 0.00 C ATOM 122 O LYS A 811 -16.973 4.814 3.636 1.00 0.00 O ATOM 123 CB LYS A 811 -16.508 3.157 1.278 1.00 0.00 C ATOM 124 CG LYS A 811 -15.972 2.145 0.280 1.00 0.00 C ATOM 125 CD LYS A 811 -16.988 1.052 -0.006 1.00 0.00 C ATOM 126 CE LYS A 811 -16.727 0.385 -1.348 1.00 0.00 C ATOM 127 NZ LYS A 811 -17.338 1.145 -2.473 1.00 0.00 N ATOM 0 H LYS A 811 -18.610 2.620 3.013 1.00 0.00 H new ATOM 0 HA LYS A 811 -15.742 1.903 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 811 -17.518 3.445 0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 811 -15.895 4.057 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 811 -15.710 2.652 -0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 811 -15.056 1.699 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 811 -16.952 0.304 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 811 -17.992 1.476 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 811 -15.652 0.300 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 811 -17.128 -0.628 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 -17.138 0.658 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 -18.367 1.204 -2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 -16.937 2.104 -2.503 1.00 0.00 H new ATOM 141 N GLU A 812 -15.308 3.620 4.568 1.00 0.00 N ATOM 142 CA GLU A 812 -14.973 4.647 5.548 1.00 0.00 C ATOM 143 C GLU A 812 -13.823 5.518 5.051 1.00 0.00 C ATOM 144 O GLU A 812 -12.720 5.029 4.803 1.00 0.00 O ATOM 145 CB GLU A 812 -14.600 4.005 6.886 1.00 0.00 C ATOM 146 CG GLU A 812 -14.505 4.998 8.032 1.00 0.00 C ATOM 147 CD GLU A 812 -13.605 4.511 9.152 1.00 0.00 C ATOM 148 OE1 GLU A 812 -12.621 3.801 8.857 1.00 0.00 O ATOM 149 OE2 GLU A 812 -13.886 4.841 10.323 1.00 0.00 O ATOM 0 H GLU A 812 -14.732 2.780 4.623 1.00 0.00 H new ATOM 0 HA GLU A 812 -15.850 5.279 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -15.342 3.246 7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -13.644 3.493 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -14.127 5.948 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -15.503 5.186 8.428 1.00 0.00 H new ATOM 156 N THR A 813 -14.088 6.813 4.907 1.00 0.00 N ATOM 157 CA THR A 813 -13.077 7.753 4.439 1.00 0.00 C ATOM 158 C THR A 813 -12.657 8.707 5.551 1.00 0.00 C ATOM 159 O THR A 813 -13.496 9.237 6.279 1.00 0.00 O ATOM 160 CB THR A 813 -13.586 8.573 3.239 1.00 0.00 C ATOM 161 OG1 THR A 813 -14.018 7.695 2.193 1.00 0.00 O ATOM 162 CG2 THR A 813 -12.498 9.497 2.714 1.00 0.00 C ATOM 0 H THR A 813 -14.995 7.235 5.108 1.00 0.00 H new ATOM 0 HA THR A 813 -12.216 7.162 4.127 1.00 0.00 H new ATOM 0 HB THR A 813 -14.427 9.181 3.574 1.00 0.00 H new ATOM 0 HG1 THR A 813 -14.342 8.224 1.434 1.00 0.00 H new ATOM 0 HG21 THR A 813 -12.881 10.066 1.867 1.00 0.00 H new ATOM 0 HG22 THR A 813 -12.192 10.184 3.503 1.00 0.00 H new ATOM 0 HG23 THR A 813 -11.640 8.905 2.395 1.00 0.00 H new ATOM 170 N VAL A 814 -11.351 8.924 5.676 1.00 0.00 N ATOM 171 CA VAL A 814 -10.819 9.816 6.698 1.00 0.00 C ATOM 172 C VAL A 814 -9.791 10.776 6.109 1.00 0.00 C ATOM 173 O VAL A 814 -8.987 10.394 5.260 1.00 0.00 O ATOM 174 CB VAL A 814 -10.168 9.027 7.849 1.00 0.00 C ATOM 175 CG1 VAL A 814 -8.941 8.276 7.355 1.00 0.00 C ATOM 176 CG2 VAL A 814 -9.806 9.959 8.996 1.00 0.00 C ATOM 0 H VAL A 814 -10.643 8.494 5.082 1.00 0.00 H new ATOM 0 HA VAL A 814 -11.662 10.386 7.090 1.00 0.00 H new ATOM 0 HB VAL A 814 -10.888 8.296 8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 814 -8.494 7.724 8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 814 -9.233 7.579 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 814 -8.215 8.986 6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 814 -9.347 9.385 9.801 1.00 0.00 H new ATOM 0 HG22 VAL A 814 -9.104 10.714 8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 814 -10.707 10.447 9.367 1.00 0.00 H new ATOM 186 N GLU A 815 -9.823 12.024 6.567 1.00 0.00 N ATOM 187 CA GLU A 815 -8.894 13.038 6.084 1.00 0.00 C ATOM 188 C GLU A 815 -8.076 13.618 7.235 1.00 0.00 C ATOM 189 O GLU A 815 -8.590 13.822 8.333 1.00 0.00 O ATOM 190 CB GLU A 815 -9.652 14.157 5.368 1.00 0.00 C ATOM 191 CG GLU A 815 -10.338 13.707 4.090 1.00 0.00 C ATOM 192 CD GLU A 815 -11.152 14.811 3.443 1.00 0.00 C ATOM 193 OE1 GLU A 815 -10.542 15.764 2.915 1.00 0.00 O ATOM 194 OE2 GLU A 815 -12.397 14.723 3.466 1.00 0.00 O ATOM 0 H GLU A 815 -10.482 12.356 7.271 1.00 0.00 H new ATOM 0 HA GLU A 815 -8.212 12.563 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -10.400 14.569 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -8.956 14.963 5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -9.586 13.354 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -10.990 12.862 4.311 1.00 0.00 H new ATOM 201 N GLU A 816 -6.799 13.880 6.972 1.00 0.00 N ATOM 202 CA GLU A 816 -5.910 14.435 7.986 1.00 0.00 C ATOM 203 C GLU A 816 -5.378 15.799 7.555 1.00 0.00 C ATOM 204 O GLU A 816 -4.836 15.947 6.461 1.00 0.00 O ATOM 205 CB GLU A 816 -4.743 13.481 8.250 1.00 0.00 C ATOM 206 CG GLU A 816 -5.020 12.470 9.350 1.00 0.00 C ATOM 207 CD GLU A 816 -5.690 13.093 10.559 1.00 0.00 C ATOM 208 OE1 GLU A 816 -5.080 13.988 11.181 1.00 0.00 O ATOM 209 OE2 GLU A 816 -6.825 12.686 10.884 1.00 0.00 O ATOM 0 H GLU A 816 -6.358 13.717 6.067 1.00 0.00 H new ATOM 0 HA GLU A 816 -6.482 14.561 8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -4.505 12.948 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -3.862 14.064 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -5.654 11.675 8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -4.082 12.007 9.657 1.00 0.00 H new ATOM 216 N GLN A 817 -5.540 16.791 8.424 1.00 0.00 N ATOM 217 CA GLN A 817 -5.077 18.143 8.134 1.00 0.00 C ATOM 218 C GLN A 817 -3.653 18.352 8.637 1.00 0.00 C ATOM 219 O GLN A 817 -3.103 17.504 9.340 1.00 0.00 O ATOM 220 CB GLN A 817 -6.012 19.173 8.772 1.00 0.00 C ATOM 221 CG GLN A 817 -7.224 19.506 7.917 1.00 0.00 C ATOM 222 CD GLN A 817 -8.221 18.365 7.848 1.00 0.00 C ATOM 223 OE1 GLN A 817 -7.943 17.318 7.262 1.00 0.00 O ATOM 224 NE2 GLN A 817 -9.389 18.562 8.447 1.00 0.00 N ATOM 0 H GLN A 817 -5.988 16.684 9.334 1.00 0.00 H new ATOM 0 HA GLN A 817 -5.083 18.277 7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 817 -6.351 18.795 9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 817 -5.452 20.088 8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 817 -7.717 20.390 8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 817 -6.895 19.757 6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 817 -9.577 19.446 8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 817 -10.099 17.830 8.433 1.00 0.00 H new ATOM 233 N ALA A 818 -3.062 19.485 8.273 1.00 0.00 N ATOM 234 CA ALA A 818 -1.702 19.805 8.689 1.00 0.00 C ATOM 235 C ALA A 818 -1.652 20.171 10.169 1.00 0.00 C ATOM 236 O ALA A 818 -1.629 21.348 10.526 1.00 0.00 O ATOM 237 CB ALA A 818 -1.145 20.941 7.844 1.00 0.00 C ATOM 0 H ALA A 818 -3.504 20.197 7.691 1.00 0.00 H new ATOM 0 HA ALA A 818 -1.085 18.919 8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 818 -0.129 21.169 8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 818 -1.135 20.644 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 818 -1.771 21.825 7.965 1.00 0.00 H new ATOM 243 N SER A 819 -1.638 19.154 11.025 1.00 0.00 N ATOM 244 CA SER A 819 -1.596 19.369 12.466 1.00 0.00 C ATOM 245 C SER A 819 -0.654 18.374 13.137 1.00 0.00 C ATOM 246 O SER A 819 -0.651 17.186 12.811 1.00 0.00 O ATOM 247 CB SER A 819 -2.999 19.243 13.063 1.00 0.00 C ATOM 248 OG SER A 819 -3.027 19.707 14.402 1.00 0.00 O ATOM 0 H SER A 819 -1.655 18.173 10.745 1.00 0.00 H new ATOM 0 HA SER A 819 -1.221 20.376 12.647 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.706 19.815 12.462 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.320 18.202 13.029 1.00 0.00 H new ATOM 0 HG SER A 819 -3.935 19.618 14.760 1.00 0.00 H new ATOM 254 N THR A 820 0.146 18.867 14.077 1.00 0.00 N ATOM 255 CA THR A 820 1.094 18.023 14.794 1.00 0.00 C ATOM 256 C THR A 820 0.412 17.275 15.934 1.00 0.00 C ATOM 257 O THR A 820 0.140 17.847 16.991 1.00 0.00 O ATOM 258 CB THR A 820 2.263 18.849 15.364 1.00 0.00 C ATOM 259 OG1 THR A 820 2.816 19.685 14.341 1.00 0.00 O ATOM 260 CG2 THR A 820 3.346 17.939 15.923 1.00 0.00 C ATOM 0 H THR A 820 0.156 19.847 14.360 1.00 0.00 H new ATOM 0 HA THR A 820 1.484 17.304 14.073 1.00 0.00 H new ATOM 0 HB THR A 820 1.880 19.471 16.173 1.00 0.00 H new ATOM 0 HG1 THR A 820 3.557 20.208 14.711 1.00 0.00 H new ATOM 0 HG21 THR A 820 4.161 18.544 16.320 1.00 0.00 H new ATOM 0 HG22 THR A 820 2.929 17.324 16.721 1.00 0.00 H new ATOM 0 HG23 THR A 820 3.725 17.295 15.130 1.00 0.00 H new ATOM 268 N THR A 821 0.137 15.993 15.714 1.00 0.00 N ATOM 269 CA THR A 821 -0.514 15.167 16.723 1.00 0.00 C ATOM 270 C THR A 821 0.333 13.947 17.065 1.00 0.00 C ATOM 271 O THR A 821 0.998 13.380 16.199 1.00 0.00 O ATOM 272 CB THR A 821 -1.904 14.699 16.254 1.00 0.00 C ATOM 273 OG1 THR A 821 -2.642 15.806 15.724 1.00 0.00 O ATOM 274 CG2 THR A 821 -2.679 14.069 17.402 1.00 0.00 C ATOM 0 H THR A 821 0.355 15.504 14.846 1.00 0.00 H new ATOM 0 HA THR A 821 -0.629 15.786 17.613 1.00 0.00 H new ATOM 0 HB THR A 821 -1.766 13.949 15.475 1.00 0.00 H new ATOM 0 HG1 THR A 821 -3.524 15.499 15.427 1.00 0.00 H new ATOM 0 HG21 THR A 821 -3.658 13.746 17.047 1.00 0.00 H new ATOM 0 HG22 THR A 821 -2.129 13.208 17.783 1.00 0.00 H new ATOM 0 HG23 THR A 821 -2.806 14.801 18.200 1.00 0.00 H new ATOM 282 N GLU A 822 0.303 13.547 18.333 1.00 0.00 N ATOM 283 CA GLU A 822 1.069 12.393 18.787 1.00 0.00 C ATOM 284 C GLU A 822 0.835 11.192 17.875 1.00 0.00 C ATOM 285 O GLU A 822 1.777 10.495 17.497 1.00 0.00 O ATOM 286 CB GLU A 822 0.690 12.036 20.226 1.00 0.00 C ATOM 287 CG GLU A 822 -0.796 11.786 20.420 1.00 0.00 C ATOM 288 CD GLU A 822 -1.130 11.311 21.821 1.00 0.00 C ATOM 289 OE1 GLU A 822 -0.664 10.218 22.204 1.00 0.00 O ATOM 290 OE2 GLU A 822 -1.858 12.033 22.533 1.00 0.00 O ATOM 0 H GLU A 822 -0.243 14.005 19.063 1.00 0.00 H new ATOM 0 HA GLU A 822 2.127 12.654 18.751 1.00 0.00 H new ATOM 0 HB2 GLU A 822 1.242 11.146 20.528 1.00 0.00 H new ATOM 0 HB3 GLU A 822 1.003 12.845 20.886 1.00 0.00 H new ATOM 0 HG2 GLU A 822 -1.345 12.704 20.211 1.00 0.00 H new ATOM 0 HG3 GLU A 822 -1.133 11.042 19.698 1.00 0.00 H new ATOM 297 N ARG A 823 -0.426 10.956 17.528 1.00 0.00 N ATOM 298 CA ARG A 823 -0.783 9.839 16.662 1.00 0.00 C ATOM 299 C ARG A 823 0.011 9.883 15.361 1.00 0.00 C ATOM 300 O ARG A 823 0.589 8.881 14.939 1.00 0.00 O ATOM 301 CB ARG A 823 -2.283 9.862 16.358 1.00 0.00 C ATOM 302 CG ARG A 823 -2.731 8.750 15.424 1.00 0.00 C ATOM 303 CD ARG A 823 -2.638 9.174 13.967 1.00 0.00 C ATOM 304 NE ARG A 823 -3.541 8.407 13.114 1.00 0.00 N ATOM 305 CZ ARG A 823 -3.987 8.839 11.940 1.00 0.00 C ATOM 306 NH1 ARG A 823 -3.615 10.025 11.481 1.00 0.00 N ATOM 307 NH2 ARG A 823 -4.807 8.082 11.221 1.00 0.00 N ATOM 0 H ARG A 823 -1.217 11.523 17.833 1.00 0.00 H new ATOM 0 HA ARG A 823 -0.538 8.914 17.185 1.00 0.00 H new ATOM 0 HB2 ARG A 823 -2.836 9.784 17.294 1.00 0.00 H new ATOM 0 HB3 ARG A 823 -2.541 10.824 15.914 1.00 0.00 H new ATOM 0 HG2 ARG A 823 -2.114 7.866 15.587 1.00 0.00 H new ATOM 0 HG3 ARG A 823 -3.758 8.469 15.657 1.00 0.00 H new ATOM 0 HD2 ARG A 823 -2.874 10.235 13.883 1.00 0.00 H new ATOM 0 HD3 ARG A 823 -1.614 9.046 13.617 1.00 0.00 H new ATOM 0 HE ARG A 823 -3.846 7.489 13.437 1.00 0.00 H new ATOM 0 HH11 ARG A 823 -2.984 10.609 12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 823 -3.959 10.354 10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 823 -5.095 7.168 11.570 1.00 0.00 H new ATOM 0 HH22 ARG A 823 -5.149 8.415 10.319 1.00 0.00 H new ATOM 321 N VAL A 824 0.037 11.052 14.728 1.00 0.00 N ATOM 322 CA VAL A 824 0.761 11.227 13.475 1.00 0.00 C ATOM 323 C VAL A 824 2.127 10.554 13.531 1.00 0.00 C ATOM 324 O VAL A 824 2.488 9.783 12.641 1.00 0.00 O ATOM 325 CB VAL A 824 0.949 12.719 13.139 1.00 0.00 C ATOM 326 CG1 VAL A 824 1.806 12.882 11.893 1.00 0.00 C ATOM 327 CG2 VAL A 824 -0.400 13.399 12.962 1.00 0.00 C ATOM 0 H VAL A 824 -0.435 11.892 15.063 1.00 0.00 H new ATOM 0 HA VAL A 824 0.161 10.759 12.695 1.00 0.00 H new ATOM 0 HB VAL A 824 1.465 13.199 13.970 1.00 0.00 H new ATOM 0 HG11 VAL A 824 1.928 13.942 11.671 1.00 0.00 H new ATOM 0 HG12 VAL A 824 2.784 12.432 12.063 1.00 0.00 H new ATOM 0 HG13 VAL A 824 1.321 12.389 11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 824 -0.248 14.452 12.725 1.00 0.00 H new ATOM 0 HG22 VAL A 824 -0.945 12.919 12.149 1.00 0.00 H new ATOM 0 HG23 VAL A 824 -0.974 13.314 13.884 1.00 0.00 H new ATOM 337 N PHE A 825 2.884 10.850 14.582 1.00 0.00 N ATOM 338 CA PHE A 825 4.212 10.274 14.755 1.00 0.00 C ATOM 339 C PHE A 825 4.194 8.773 14.478 1.00 0.00 C ATOM 340 O PHE A 825 4.959 8.275 13.652 1.00 0.00 O ATOM 341 CB PHE A 825 4.725 10.536 16.172 1.00 0.00 C ATOM 342 CG PHE A 825 5.966 9.762 16.514 1.00 0.00 C ATOM 343 CD1 PHE A 825 7.217 10.241 16.158 1.00 0.00 C ATOM 344 CD2 PHE A 825 5.882 8.556 17.190 1.00 0.00 C ATOM 345 CE1 PHE A 825 8.361 9.531 16.471 1.00 0.00 C ATOM 346 CE2 PHE A 825 7.022 7.842 17.506 1.00 0.00 C ATOM 347 CZ PHE A 825 8.263 8.330 17.145 1.00 0.00 C ATOM 0 H PHE A 825 2.600 11.486 15.327 1.00 0.00 H new ATOM 0 HA PHE A 825 4.883 10.750 14.040 1.00 0.00 H new ATOM 0 HB2 PHE A 825 4.928 11.601 16.285 1.00 0.00 H new ATOM 0 HB3 PHE A 825 3.941 10.284 16.886 1.00 0.00 H new ATOM 0 HD1 PHE A 825 7.299 11.180 15.630 1.00 0.00 H new ATOM 0 HD2 PHE A 825 4.914 8.169 17.473 1.00 0.00 H new ATOM 0 HE1 PHE A 825 9.330 9.915 16.189 1.00 0.00 H new ATOM 0 HE2 PHE A 825 6.943 6.904 18.035 1.00 0.00 H new ATOM 0 HZ PHE A 825 9.155 7.773 17.390 1.00 0.00 H new ATOM 357 N GLN A 826 3.316 8.060 15.176 1.00 0.00 N ATOM 358 CA GLN A 826 3.200 6.616 15.006 1.00 0.00 C ATOM 359 C GLN A 826 2.785 6.267 13.581 1.00 0.00 C ATOM 360 O GLN A 826 3.396 5.414 12.937 1.00 0.00 O ATOM 361 CB GLN A 826 2.186 6.045 15.999 1.00 0.00 C ATOM 362 CG GLN A 826 2.787 5.704 17.353 1.00 0.00 C ATOM 363 CD GLN A 826 1.773 5.780 18.478 1.00 0.00 C ATOM 364 OE1 GLN A 826 0.752 6.460 18.364 1.00 0.00 O ATOM 365 NE2 GLN A 826 2.049 5.082 19.573 1.00 0.00 N ATOM 0 H GLN A 826 2.676 8.457 15.863 1.00 0.00 H new ATOM 0 HA GLN A 826 4.177 6.173 15.199 1.00 0.00 H new ATOM 0 HB2 GLN A 826 1.381 6.767 16.139 1.00 0.00 H new ATOM 0 HB3 GLN A 826 1.738 5.147 15.573 1.00 0.00 H new ATOM 0 HG2 GLN A 826 3.209 4.700 17.316 1.00 0.00 H new ATOM 0 HG3 GLN A 826 3.610 6.388 17.564 1.00 0.00 H new ATOM 0 HE21 GLN A 826 2.907 4.532 19.625 1.00 0.00 H new ATOM 0 HE22 GLN A 826 1.403 5.096 20.363 1.00 0.00 H new ATOM 374 N ASP A 827 1.742 6.931 13.094 1.00 0.00 N ATOM 375 CA ASP A 827 1.246 6.692 11.744 1.00 0.00 C ATOM 376 C ASP A 827 2.400 6.459 10.774 1.00 0.00 C ATOM 377 O ASP A 827 2.275 5.693 9.818 1.00 0.00 O ATOM 378 CB ASP A 827 0.397 7.874 11.272 1.00 0.00 C ATOM 379 CG ASP A 827 -0.075 7.713 9.841 1.00 0.00 C ATOM 380 OD1 ASP A 827 -0.933 6.840 9.594 1.00 0.00 O ATOM 381 OD2 ASP A 827 0.414 8.460 8.967 1.00 0.00 O ATOM 0 H ASP A 827 1.224 7.639 13.614 1.00 0.00 H new ATOM 0 HA ASP A 827 0.626 5.796 11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 827 -0.468 7.981 11.927 1.00 0.00 H new ATOM 0 HB3 ASP A 827 0.978 8.792 11.359 1.00 0.00 H new ATOM 386 N ARG A 828 3.521 7.125 11.026 1.00 0.00 N ATOM 387 CA ARG A 828 4.697 6.992 10.173 1.00 0.00 C ATOM 388 C ARG A 828 5.334 5.616 10.337 1.00 0.00 C ATOM 389 O ARG A 828 5.272 4.782 9.433 1.00 0.00 O ATOM 390 CB ARG A 828 5.719 8.082 10.504 1.00 0.00 C ATOM 391 CG ARG A 828 6.581 8.488 9.320 1.00 0.00 C ATOM 392 CD ARG A 828 7.577 9.572 9.702 1.00 0.00 C ATOM 393 NE ARG A 828 7.009 10.910 9.560 1.00 0.00 N ATOM 394 CZ ARG A 828 6.309 11.517 10.511 1.00 0.00 C ATOM 395 NH1 ARG A 828 6.091 10.908 11.669 1.00 0.00 N ATOM 396 NH2 ARG A 828 5.825 12.735 10.307 1.00 0.00 N ATOM 0 H ARG A 828 3.641 7.762 11.813 1.00 0.00 H new ATOM 0 HA ARG A 828 4.378 7.105 9.137 1.00 0.00 H new ATOM 0 HB2 ARG A 828 5.193 8.960 10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 828 6.364 7.731 11.309 1.00 0.00 H new ATOM 0 HG2 ARG A 828 7.117 7.617 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 828 5.944 8.846 8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 828 7.899 9.422 10.733 1.00 0.00 H new ATOM 0 HD3 ARG A 828 8.465 9.486 9.075 1.00 0.00 H new ATOM 0 HE ARG A 828 7.158 11.406 8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 828 6.461 9.971 11.830 1.00 0.00 H new ATOM 0 HH12 ARG A 828 5.553 11.376 12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 828 5.990 13.207 9.418 1.00 0.00 H new ATOM 0 HH22 ARG A 828 5.287 13.199 11.039 1.00 0.00 H new ATOM 410 N GLN A 829 5.946 5.386 11.494 1.00 0.00 N ATOM 411 CA GLN A 829 6.596 4.111 11.774 1.00 0.00 C ATOM 412 C GLN A 829 5.782 2.950 11.211 1.00 0.00 C ATOM 413 O GLN A 829 6.338 1.935 10.791 1.00 0.00 O ATOM 414 CB GLN A 829 6.786 3.932 13.281 1.00 0.00 C ATOM 415 CG GLN A 829 5.486 3.702 14.035 1.00 0.00 C ATOM 416 CD GLN A 829 5.697 2.999 15.362 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.598 3.346 16.125 1.00 0.00 O ATOM 418 NE2 GLN A 829 4.865 2.003 15.643 1.00 0.00 N ATOM 0 H GLN A 829 6.005 6.065 12.252 1.00 0.00 H new ATOM 0 HA GLN A 829 7.572 4.115 11.290 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.453 3.088 13.457 1.00 0.00 H new ATOM 0 HB3 GLN A 829 7.279 4.817 13.684 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.997 4.661 14.210 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.812 3.109 13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 829 4.132 1.749 14.981 1.00 0.00 H new ATOM 0 HE22 GLN A 829 4.959 1.492 16.521 1.00 0.00 H new ATOM 427 N TYR A 830 4.463 3.107 11.204 1.00 0.00 N ATOM 428 CA TYR A 830 3.573 2.071 10.695 1.00 0.00 C ATOM 429 C TYR A 830 3.588 2.041 9.170 1.00 0.00 C ATOM 430 O TYR A 830 3.623 0.972 8.560 1.00 0.00 O ATOM 431 CB TYR A 830 2.147 2.302 11.198 1.00 0.00 C ATOM 432 CG TYR A 830 1.923 1.839 12.619 1.00 0.00 C ATOM 433 CD1 TYR A 830 1.881 0.486 12.931 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.752 2.754 13.651 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.676 0.058 14.229 1.00 0.00 C ATOM 436 CE2 TYR A 830 1.549 2.336 14.951 1.00 0.00 C ATOM 437 CZ TYR A 830 1.511 0.986 15.235 1.00 0.00 C ATOM 438 OH TYR A 830 1.307 0.565 16.529 1.00 0.00 O ATOM 0 H TYR A 830 3.987 3.942 11.545 1.00 0.00 H new ATOM 0 HA TYR A 830 3.929 1.109 11.063 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.915 3.365 11.130 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.450 1.781 10.541 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.011 -0.244 12.146 1.00 0.00 H new ATOM 0 HD2 TYR A 830 1.778 3.811 13.432 1.00 0.00 H new ATOM 0 HE1 TYR A 830 1.645 -0.998 14.454 1.00 0.00 H new ATOM 0 HE2 TYR A 830 1.421 3.061 15.741 1.00 0.00 H new ATOM 0 HH TYR A 830 1.211 1.344 17.115 1.00 0.00 H new ATOM 448 N GLN A 831 3.562 3.222 8.561 1.00 0.00 N ATOM 449 CA GLN A 831 3.573 3.332 7.107 1.00 0.00 C ATOM 450 C GLN A 831 4.769 2.594 6.514 1.00 0.00 C ATOM 451 O GLN A 831 4.641 1.888 5.514 1.00 0.00 O ATOM 452 CB GLN A 831 3.605 4.802 6.686 1.00 0.00 C ATOM 453 CG GLN A 831 2.238 5.467 6.693 1.00 0.00 C ATOM 454 CD GLN A 831 1.365 5.017 5.538 1.00 0.00 C ATOM 455 OE1 GLN A 831 1.198 3.821 5.300 1.00 0.00 O ATOM 456 NE2 GLN A 831 0.801 5.977 4.814 1.00 0.00 N ATOM 0 H GLN A 831 3.533 4.116 9.052 1.00 0.00 H new ATOM 0 HA GLN A 831 2.661 2.872 6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 831 4.269 5.349 7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 831 4.030 4.875 5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.734 5.243 7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.364 6.549 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 831 0.967 6.956 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.202 5.735 4.025 1.00 0.00 H new ATOM 465 N ILE A 832 5.931 2.764 7.137 1.00 0.00 N ATOM 466 CA ILE A 832 7.149 2.114 6.671 1.00 0.00 C ATOM 467 C ILE A 832 7.128 0.621 6.980 1.00 0.00 C ATOM 468 O ILE A 832 7.156 -0.211 6.073 1.00 0.00 O ATOM 469 CB ILE A 832 8.402 2.741 7.311 1.00 0.00 C ATOM 470 CG1 ILE A 832 8.493 4.227 6.956 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.653 2.005 6.857 1.00 0.00 C ATOM 472 CD1 ILE A 832 7.599 5.106 7.802 1.00 0.00 C ATOM 0 H ILE A 832 6.054 3.346 7.965 1.00 0.00 H new ATOM 0 HA ILE A 832 7.191 2.259 5.591 1.00 0.00 H new ATOM 0 HB ILE A 832 8.323 2.649 8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 832 9.526 4.557 7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 832 8.230 4.358 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.530 2.460 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.588 0.959 7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.739 2.068 5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 832 7.715 6.145 7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 832 6.560 4.803 7.670 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.876 5.004 8.851 1.00 0.00 H new ATOM 484 N ASP A 833 7.076 0.289 8.265 1.00 0.00 N ATOM 485 CA ASP A 833 7.048 -1.105 8.694 1.00 0.00 C ATOM 486 C ASP A 833 5.994 -1.890 7.920 1.00 0.00 C ATOM 487 O ASP A 833 6.218 -3.038 7.538 1.00 0.00 O ATOM 488 CB ASP A 833 6.768 -1.193 10.195 1.00 0.00 C ATOM 489 CG ASP A 833 6.719 -2.624 10.692 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.116 -3.471 10.001 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.282 -2.897 11.773 1.00 0.00 O ATOM 0 H ASP A 833 7.052 0.966 9.028 1.00 0.00 H new ATOM 0 HA ASP A 833 8.025 -1.543 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.541 -0.649 10.738 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.819 -0.703 10.414 1.00 0.00 H new ATOM 496 N ALA A 834 4.844 -1.264 7.694 1.00 0.00 N ATOM 497 CA ALA A 834 3.756 -1.903 6.965 1.00 0.00 C ATOM 498 C ALA A 834 4.140 -2.150 5.510 1.00 0.00 C ATOM 499 O ALA A 834 3.965 -3.252 4.990 1.00 0.00 O ATOM 500 CB ALA A 834 2.497 -1.053 7.043 1.00 0.00 C ATOM 0 H ALA A 834 4.642 -0.314 8.006 1.00 0.00 H new ATOM 0 HA ALA A 834 3.559 -2.869 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.693 -1.543 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.203 -0.932 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.691 -0.074 6.605 1.00 0.00 H new ATOM 506 N ALA A 835 4.664 -1.118 4.858 1.00 0.00 N ATOM 507 CA ALA A 835 5.074 -1.224 3.463 1.00 0.00 C ATOM 508 C ALA A 835 6.168 -2.273 3.291 1.00 0.00 C ATOM 509 O ALA A 835 6.126 -3.079 2.361 1.00 0.00 O ATOM 510 CB ALA A 835 5.550 0.127 2.949 1.00 0.00 C ATOM 0 H ALA A 835 4.815 -0.199 5.273 1.00 0.00 H new ATOM 0 HA ALA A 835 4.210 -1.539 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.853 0.033 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.740 0.852 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.398 0.465 3.544 1.00 0.00 H new ATOM 516 N ILE A 836 7.145 -2.256 4.191 1.00 0.00 N ATOM 517 CA ILE A 836 8.249 -3.206 4.138 1.00 0.00 C ATOM 518 C ILE A 836 7.740 -4.643 4.186 1.00 0.00 C ATOM 519 O ILE A 836 7.966 -5.425 3.262 1.00 0.00 O ATOM 520 CB ILE A 836 9.239 -2.985 5.296 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.863 -1.591 5.204 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.318 -4.057 5.283 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.647 -1.197 6.436 1.00 0.00 C ATOM 0 H ILE A 836 7.195 -1.595 4.966 1.00 0.00 H new ATOM 0 HA ILE A 836 8.765 -3.037 3.193 1.00 0.00 H new ATOM 0 HB ILE A 836 8.695 -3.057 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.522 -1.553 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 836 9.073 -0.859 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.010 -3.887 6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 836 9.857 -5.039 5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.861 -4.015 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 836 11.061 -0.198 6.300 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.988 -1.202 7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.459 -1.907 6.593 1.00 0.00 H new ATOM 535 N VAL A 837 7.049 -4.985 5.269 1.00 0.00 N ATOM 536 CA VAL A 837 6.505 -6.327 5.437 1.00 0.00 C ATOM 537 C VAL A 837 5.685 -6.743 4.221 1.00 0.00 C ATOM 538 O VAL A 837 5.920 -7.799 3.633 1.00 0.00 O ATOM 539 CB VAL A 837 5.622 -6.421 6.695 1.00 0.00 C ATOM 540 CG1 VAL A 837 4.968 -7.791 6.788 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.440 -6.126 7.943 1.00 0.00 C ATOM 0 H VAL A 837 6.853 -4.351 6.043 1.00 0.00 H new ATOM 0 HA VAL A 837 7.354 -7.002 5.547 1.00 0.00 H new ATOM 0 HB VAL A 837 4.833 -5.673 6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.348 -7.838 7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.347 -7.958 5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 837 5.739 -8.560 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 837 5.800 -6.197 8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.252 -6.849 8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.855 -5.120 7.877 1.00 0.00 H new ATOM 551 N ARG A 838 4.722 -5.906 3.849 1.00 0.00 N ATOM 552 CA ARG A 838 3.866 -6.188 2.703 1.00 0.00 C ATOM 553 C ARG A 838 4.699 -6.438 1.450 1.00 0.00 C ATOM 554 O ARG A 838 4.490 -7.421 0.739 1.00 0.00 O ATOM 555 CB ARG A 838 2.900 -5.026 2.463 1.00 0.00 C ATOM 556 CG ARG A 838 1.810 -4.912 3.517 1.00 0.00 C ATOM 557 CD ARG A 838 0.683 -4.002 3.056 1.00 0.00 C ATOM 558 NE ARG A 838 -0.284 -4.709 2.220 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.230 -5.506 2.703 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.337 -5.697 4.011 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.072 -6.114 1.877 1.00 0.00 N ATOM 0 H ARG A 838 4.515 -5.028 4.324 1.00 0.00 H new ATOM 0 HA ARG A 838 3.293 -7.089 2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.465 -4.095 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.436 -5.147 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.412 -5.902 3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.236 -4.525 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.174 -3.586 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.099 -3.163 2.498 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.230 -4.584 1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.692 -5.231 4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -2.065 -6.310 4.379 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -1.993 -5.969 0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -2.798 -6.726 2.249 1.00 0.00 H new ATOM 575 N ILE A 839 5.644 -5.541 1.186 1.00 0.00 N ATOM 576 CA ILE A 839 6.509 -5.665 0.019 1.00 0.00 C ATOM 577 C ILE A 839 7.415 -6.886 0.134 1.00 0.00 C ATOM 578 O ILE A 839 7.262 -7.856 -0.607 1.00 0.00 O ATOM 579 CB ILE A 839 7.380 -4.409 -0.172 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.497 -3.169 -0.333 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.293 -4.576 -1.377 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.147 -1.897 0.163 1.00 0.00 C ATOM 0 H ILE A 839 5.830 -4.721 1.764 1.00 0.00 H new ATOM 0 HA ILE A 839 5.857 -5.780 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 839 8.001 -4.277 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.240 -3.050 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.563 -3.325 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 839 8.902 -3.680 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 839 8.942 -5.438 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 839 7.690 -4.729 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.465 -1.059 0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.379 -1.997 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.066 -1.717 -0.394 1.00 0.00 H new ATOM 594 N MET A 840 8.358 -6.830 1.068 1.00 0.00 N ATOM 595 CA MET A 840 9.288 -7.933 1.282 1.00 0.00 C ATOM 596 C MET A 840 8.572 -9.276 1.175 1.00 0.00 C ATOM 597 O MET A 840 9.071 -10.209 0.547 1.00 0.00 O ATOM 598 CB MET A 840 9.957 -7.807 2.652 1.00 0.00 C ATOM 599 CG MET A 840 10.701 -6.496 2.846 1.00 0.00 C ATOM 600 SD MET A 840 12.387 -6.553 2.210 1.00 0.00 S ATOM 601 CE MET A 840 13.326 -6.319 3.717 1.00 0.00 C ATOM 0 H MET A 840 8.499 -6.033 1.689 1.00 0.00 H new ATOM 0 HA MET A 840 10.053 -7.885 0.507 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.198 -7.903 3.428 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.654 -8.634 2.784 1.00 0.00 H new ATOM 0 HG2 MET A 840 10.155 -5.696 2.346 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.726 -6.250 3.908 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.063 -5.530 3.568 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.652 -6.037 4.526 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.835 -7.247 3.976 1.00 0.00 H new ATOM 611 N LYS A 841 7.399 -9.367 1.793 1.00 0.00 N ATOM 612 CA LYS A 841 6.613 -10.595 1.767 1.00 0.00 C ATOM 613 C LYS A 841 6.341 -11.036 0.332 1.00 0.00 C ATOM 614 O LYS A 841 6.640 -12.168 -0.046 1.00 0.00 O ATOM 615 CB LYS A 841 5.290 -10.394 2.509 1.00 0.00 C ATOM 616 CG LYS A 841 4.365 -11.597 2.441 1.00 0.00 C ATOM 617 CD LYS A 841 3.029 -11.312 3.107 1.00 0.00 C ATOM 618 CE LYS A 841 1.927 -12.196 2.545 1.00 0.00 C ATOM 619 NZ LYS A 841 2.054 -13.605 3.012 1.00 0.00 N ATOM 0 H LYS A 841 6.972 -8.604 2.318 1.00 0.00 H new ATOM 0 HA LYS A 841 7.188 -11.375 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.500 -10.167 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.777 -9.528 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.202 -11.873 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.840 -12.450 2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 841 3.115 -11.474 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.766 -10.264 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 841 0.956 -11.800 2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.960 -12.170 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 1.285 -14.176 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.970 -13.991 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.997 -13.633 4.050 1.00 0.00 H new ATOM 633 N MET A 842 5.774 -10.134 -0.462 1.00 0.00 N ATOM 634 CA MET A 842 5.464 -10.431 -1.856 1.00 0.00 C ATOM 635 C MET A 842 6.716 -10.868 -2.610 1.00 0.00 C ATOM 636 O MET A 842 6.679 -11.813 -3.399 1.00 0.00 O ATOM 637 CB MET A 842 4.848 -9.207 -2.536 1.00 0.00 C ATOM 638 CG MET A 842 3.460 -8.860 -2.021 1.00 0.00 C ATOM 639 SD MET A 842 2.151 -9.699 -2.933 1.00 0.00 S ATOM 640 CE MET A 842 1.421 -8.324 -3.819 1.00 0.00 C ATOM 0 H MET A 842 5.520 -9.192 -0.165 1.00 0.00 H new ATOM 0 HA MET A 842 4.744 -11.250 -1.875 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.506 -8.350 -2.389 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.794 -9.387 -3.610 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.391 -9.127 -0.966 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.311 -7.782 -2.088 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.593 -8.683 -4.431 1.00 0.00 H new ATOM 0 HE2 MET A 842 1.052 -7.587 -3.106 1.00 0.00 H new ATOM 0 HE3 MET A 842 2.173 -7.864 -4.460 1.00 0.00 H new ATOM 650 N ARG A 843 7.823 -10.175 -2.362 1.00 0.00 N ATOM 651 CA ARG A 843 9.086 -10.492 -3.019 1.00 0.00 C ATOM 652 C ARG A 843 9.950 -11.384 -2.133 1.00 0.00 C ATOM 653 O ARG A 843 10.595 -10.911 -1.197 1.00 0.00 O ATOM 654 CB ARG A 843 9.843 -9.207 -3.360 1.00 0.00 C ATOM 655 CG ARG A 843 9.017 -8.204 -4.148 1.00 0.00 C ATOM 656 CD ARG A 843 9.083 -8.480 -5.643 1.00 0.00 C ATOM 657 NE ARG A 843 10.350 -8.046 -6.224 1.00 0.00 N ATOM 658 CZ ARG A 843 10.516 -7.789 -7.517 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.500 -7.921 -8.358 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.700 -7.398 -7.970 1.00 0.00 N ATOM 0 H ARG A 843 7.871 -9.391 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 843 8.864 -11.031 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.182 -8.739 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.734 -9.462 -3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.980 -8.244 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.378 -7.195 -3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.949 -9.547 -5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.261 -7.968 -6.143 1.00 0.00 H new ATOM 0 HE ARG A 843 11.152 -7.934 -5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.588 -8.220 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.630 -7.723 -9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.484 -7.294 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.827 -7.201 -8.963 1.00 0.00 H new ATOM 674 N LYS A 844 9.959 -12.678 -2.435 1.00 0.00 N ATOM 675 CA LYS A 844 10.744 -13.638 -1.668 1.00 0.00 C ATOM 676 C LYS A 844 12.057 -13.019 -1.203 1.00 0.00 C ATOM 677 O LYS A 844 12.458 -13.180 -0.049 1.00 0.00 O ATOM 678 CB LYS A 844 11.025 -14.885 -2.509 1.00 0.00 C ATOM 679 CG LYS A 844 9.769 -15.592 -2.988 1.00 0.00 C ATOM 680 CD LYS A 844 9.045 -16.280 -1.843 1.00 0.00 C ATOM 681 CE LYS A 844 7.555 -16.409 -2.124 1.00 0.00 C ATOM 682 NZ LYS A 844 6.823 -15.146 -1.829 1.00 0.00 N ATOM 0 H LYS A 844 9.431 -13.086 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 844 10.166 -13.923 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.625 -14.602 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.622 -15.582 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 844 9.102 -14.871 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 844 10.032 -16.328 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.473 -17.269 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 844 9.195 -15.714 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.405 -16.680 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 844 7.141 -17.218 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 5.811 -15.275 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 6.945 -14.900 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 7.201 -14.379 -2.422 1.00 0.00 H new ATOM 696 N THR A 845 12.724 -12.308 -2.107 1.00 0.00 N ATOM 697 CA THR A 845 13.993 -11.664 -1.789 1.00 0.00 C ATOM 698 C THR A 845 14.057 -10.258 -2.373 1.00 0.00 C ATOM 699 O THR A 845 13.702 -10.039 -3.532 1.00 0.00 O ATOM 700 CB THR A 845 15.186 -12.482 -2.317 1.00 0.00 C ATOM 701 OG1 THR A 845 15.095 -13.835 -1.856 1.00 0.00 O ATOM 702 CG2 THR A 845 16.504 -11.874 -1.861 1.00 0.00 C ATOM 0 H THR A 845 12.406 -12.164 -3.065 1.00 0.00 H new ATOM 0 HA THR A 845 14.055 -11.606 -0.702 1.00 0.00 H new ATOM 0 HB THR A 845 15.154 -12.466 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.809 -14.008 -1.207 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.332 -12.469 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.584 -10.854 -2.238 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.542 -11.862 -0.772 1.00 0.00 H new ATOM 710 N LEU A 846 14.512 -9.307 -1.565 1.00 0.00 N ATOM 711 CA LEU A 846 14.624 -7.920 -2.003 1.00 0.00 C ATOM 712 C LEU A 846 15.831 -7.242 -1.362 1.00 0.00 C ATOM 713 O LEU A 846 16.208 -7.560 -0.235 1.00 0.00 O ATOM 714 CB LEU A 846 13.349 -7.150 -1.656 1.00 0.00 C ATOM 715 CG LEU A 846 12.988 -5.993 -2.588 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.570 -6.517 -3.953 1.00 0.00 C ATOM 717 CD2 LEU A 846 11.882 -5.143 -1.980 1.00 0.00 C ATOM 0 H LEU A 846 14.809 -9.471 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 846 14.760 -7.917 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.516 -7.853 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.450 -6.757 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 846 13.871 -5.367 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.317 -5.679 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.392 -7.082 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.701 -7.166 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.638 -4.324 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 846 10.996 -5.758 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.218 -4.737 -1.026 1.00 0.00 H new ATOM 729 N SER A 847 16.431 -6.304 -2.088 1.00 0.00 N ATOM 730 CA SER A 847 17.597 -5.582 -1.591 1.00 0.00 C ATOM 731 C SER A 847 17.197 -4.213 -1.048 1.00 0.00 C ATOM 732 O SER A 847 16.017 -3.859 -1.033 1.00 0.00 O ATOM 733 CB SER A 847 18.634 -5.419 -2.703 1.00 0.00 C ATOM 734 OG SER A 847 18.072 -4.778 -3.836 1.00 0.00 O ATOM 0 H SER A 847 16.129 -6.026 -3.022 1.00 0.00 H new ATOM 0 HA SER A 847 18.034 -6.162 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 847 19.479 -4.837 -2.334 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.021 -6.397 -2.989 1.00 0.00 H new ATOM 0 HG SER A 847 18.756 -4.684 -4.532 1.00 0.00 H new ATOM 740 N HIS A 848 18.188 -3.448 -0.603 1.00 0.00 N ATOM 741 CA HIS A 848 17.941 -2.117 -0.059 1.00 0.00 C ATOM 742 C HIS A 848 17.391 -1.184 -1.134 1.00 0.00 C ATOM 743 O HIS A 848 16.347 -0.560 -0.952 1.00 0.00 O ATOM 744 CB HIS A 848 19.227 -1.536 0.528 1.00 0.00 C ATOM 745 CG HIS A 848 19.005 -0.319 1.372 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.974 -0.354 2.750 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.803 0.974 1.025 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.761 0.864 3.215 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.654 1.689 2.188 1.00 0.00 N ATOM 0 H HIS A 848 19.169 -3.726 -0.608 1.00 0.00 H new ATOM 0 HA HIS A 848 17.198 -2.208 0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.719 -2.300 1.130 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.907 -1.284 -0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.766 1.369 0.021 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.687 1.139 4.257 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.488 2.693 2.249 1.00 0.00 H new ATOM 757 N ASN A 849 18.102 -1.095 -2.253 1.00 0.00 N ATOM 758 CA ASN A 849 17.685 -0.237 -3.357 1.00 0.00 C ATOM 759 C ASN A 849 16.237 -0.516 -3.745 1.00 0.00 C ATOM 760 O ASN A 849 15.400 0.388 -3.755 1.00 0.00 O ATOM 761 CB ASN A 849 18.599 -0.447 -4.566 1.00 0.00 C ATOM 762 CG ASN A 849 18.660 0.774 -5.463 1.00 0.00 C ATOM 763 OD1 ASN A 849 17.701 1.540 -5.554 1.00 0.00 O ATOM 764 ND2 ASN A 849 19.793 0.960 -6.131 1.00 0.00 N ATOM 0 H ASN A 849 18.969 -1.606 -2.420 1.00 0.00 H new ATOM 0 HA ASN A 849 17.761 0.800 -3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.604 -0.691 -4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.244 -1.301 -5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 849 19.894 1.764 -6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 849 20.562 0.299 -6.025 1.00 0.00 H new ATOM 771 N LEU A 850 15.946 -1.773 -4.064 1.00 0.00 N ATOM 772 CA LEU A 850 14.598 -2.172 -4.453 1.00 0.00 C ATOM 773 C LEU A 850 13.616 -1.964 -3.304 1.00 0.00 C ATOM 774 O LEU A 850 12.477 -1.548 -3.515 1.00 0.00 O ATOM 775 CB LEU A 850 14.586 -3.637 -4.892 1.00 0.00 C ATOM 776 CG LEU A 850 14.977 -3.906 -6.345 1.00 0.00 C ATOM 777 CD1 LEU A 850 14.005 -3.224 -7.295 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.401 -3.437 -6.609 1.00 0.00 C ATOM 0 H LEU A 850 16.626 -2.533 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 850 14.287 -1.546 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.264 -4.195 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.586 -4.037 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 850 14.930 -4.981 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.300 -3.427 -8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 850 12.999 -3.607 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.019 -2.148 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.663 -3.636 -7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.473 -2.367 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.088 -3.972 -5.953 1.00 0.00 H new ATOM 790 N LEU A 851 14.066 -2.256 -2.089 1.00 0.00 N ATOM 791 CA LEU A 851 13.228 -2.099 -0.905 1.00 0.00 C ATOM 792 C LEU A 851 12.777 -0.651 -0.745 1.00 0.00 C ATOM 793 O LEU A 851 11.595 -0.339 -0.888 1.00 0.00 O ATOM 794 CB LEU A 851 13.987 -2.550 0.345 1.00 0.00 C ATOM 795 CG LEU A 851 13.345 -2.192 1.685 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.987 -2.862 1.823 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.257 -2.590 2.837 1.00 0.00 C ATOM 0 H LEU A 851 15.006 -2.603 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 851 12.344 -2.724 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.109 -3.632 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.986 -2.115 0.316 1.00 0.00 H new ATOM 0 HG LEU A 851 13.200 -1.112 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.546 -2.595 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.333 -2.528 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.108 -3.944 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.784 -2.328 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.434 -3.665 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.207 -2.063 2.748 1.00 0.00 H new ATOM 809 N VAL A 852 13.727 0.231 -0.449 1.00 0.00 N ATOM 810 CA VAL A 852 13.428 1.647 -0.273 1.00 0.00 C ATOM 811 C VAL A 852 12.535 2.163 -1.395 1.00 0.00 C ATOM 812 O VAL A 852 11.595 2.921 -1.155 1.00 0.00 O ATOM 813 CB VAL A 852 14.716 2.491 -0.227 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.611 2.037 0.916 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.452 2.411 -1.556 1.00 0.00 C ATOM 0 H VAL A 852 14.710 -0.011 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 852 12.905 1.745 0.678 1.00 0.00 H new ATOM 0 HB VAL A 852 14.443 3.531 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.516 2.644 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 852 15.080 2.151 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.879 0.990 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.359 3.013 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.715 1.374 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.809 2.789 -2.351 1.00 0.00 H new ATOM 825 N SER A 853 12.834 1.748 -2.622 1.00 0.00 N ATOM 826 CA SER A 853 12.060 2.171 -3.783 1.00 0.00 C ATOM 827 C SER A 853 10.577 1.878 -3.583 1.00 0.00 C ATOM 828 O SER A 853 9.744 2.783 -3.624 1.00 0.00 O ATOM 829 CB SER A 853 12.565 1.467 -5.044 1.00 0.00 C ATOM 830 OG SER A 853 11.775 1.808 -6.169 1.00 0.00 O ATOM 0 H SER A 853 13.607 1.119 -2.838 1.00 0.00 H new ATOM 0 HA SER A 853 12.187 3.247 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.603 1.743 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.544 0.387 -4.895 1.00 0.00 H new ATOM 0 HG SER A 853 12.119 1.347 -6.962 1.00 0.00 H new ATOM 836 N GLU A 854 10.255 0.607 -3.366 1.00 0.00 N ATOM 837 CA GLU A 854 8.871 0.194 -3.161 1.00 0.00 C ATOM 838 C GLU A 854 8.228 0.992 -2.030 1.00 0.00 C ATOM 839 O GLU A 854 7.189 1.626 -2.216 1.00 0.00 O ATOM 840 CB GLU A 854 8.803 -1.302 -2.847 1.00 0.00 C ATOM 841 CG GLU A 854 9.314 -2.184 -3.974 1.00 0.00 C ATOM 842 CD GLU A 854 8.633 -1.892 -5.297 1.00 0.00 C ATOM 843 OE1 GLU A 854 8.926 -0.834 -5.893 1.00 0.00 O ATOM 844 OE2 GLU A 854 7.809 -2.721 -5.736 1.00 0.00 O ATOM 0 H GLU A 854 10.933 -0.154 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 854 8.320 0.390 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.385 -1.503 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.770 -1.572 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.389 -2.041 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.157 -3.230 -3.712 1.00 0.00 H new ATOM 851 N VAL A 855 8.852 0.954 -0.857 1.00 0.00 N ATOM 852 CA VAL A 855 8.342 1.673 0.304 1.00 0.00 C ATOM 853 C VAL A 855 7.795 3.040 -0.093 1.00 0.00 C ATOM 854 O VAL A 855 6.620 3.337 0.125 1.00 0.00 O ATOM 855 CB VAL A 855 9.435 1.861 1.373 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.953 2.797 2.471 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.850 0.516 1.951 1.00 0.00 C ATOM 0 H VAL A 855 9.712 0.433 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 855 7.536 1.069 0.721 1.00 0.00 H new ATOM 0 HB VAL A 855 10.307 2.313 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.738 2.918 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.709 3.768 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 855 8.065 2.377 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.623 0.667 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.986 0.034 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 855 10.239 -0.118 1.154 1.00 0.00 H new ATOM 867 N TYR A 856 8.654 3.868 -0.676 1.00 0.00 N ATOM 868 CA TYR A 856 8.258 5.205 -1.102 1.00 0.00 C ATOM 869 C TYR A 856 7.051 5.145 -2.034 1.00 0.00 C ATOM 870 O TYR A 856 6.144 5.971 -1.947 1.00 0.00 O ATOM 871 CB TYR A 856 9.423 5.906 -1.802 1.00 0.00 C ATOM 872 CG TYR A 856 10.542 6.303 -0.866 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.331 7.231 0.146 1.00 0.00 C ATOM 874 CD2 TYR A 856 11.810 5.749 -0.994 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.351 7.597 1.003 1.00 0.00 C ATOM 876 CE2 TYR A 856 12.836 6.109 -0.141 1.00 0.00 C ATOM 877 CZ TYR A 856 12.601 7.033 0.856 1.00 0.00 C ATOM 878 OH TYR A 856 13.620 7.394 1.708 1.00 0.00 O ATOM 0 H TYR A 856 9.629 3.637 -0.865 1.00 0.00 H new ATOM 0 HA TYR A 856 7.981 5.774 -0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.822 5.247 -2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.049 6.797 -2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.353 7.674 0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 856 11.997 5.025 -1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.170 8.321 1.784 1.00 0.00 H new ATOM 0 HE2 TYR A 856 13.816 5.670 -0.254 1.00 0.00 H new ATOM 0 HH TYR A 856 13.247 7.859 2.486 1.00 0.00 H new ATOM 888 N ASN A 857 7.049 4.159 -2.925 1.00 0.00 N ATOM 889 CA ASN A 857 5.955 3.989 -3.874 1.00 0.00 C ATOM 890 C ASN A 857 4.615 3.904 -3.150 1.00 0.00 C ATOM 891 O ASN A 857 3.607 4.424 -3.627 1.00 0.00 O ATOM 892 CB ASN A 857 6.173 2.731 -4.716 1.00 0.00 C ATOM 893 CG ASN A 857 5.348 2.736 -5.989 1.00 0.00 C ATOM 894 OD1 ASN A 857 5.858 3.028 -7.071 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.066 2.413 -5.864 1.00 0.00 N ATOM 0 H ASN A 857 7.792 3.466 -3.010 1.00 0.00 H new ATOM 0 HA ASN A 857 5.939 4.859 -4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.229 2.647 -4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 857 5.917 1.852 -4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.461 2.400 -6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 857 3.686 2.178 -4.947 1.00 0.00 H new ATOM 902 N GLN A 858 4.614 3.245 -1.995 1.00 0.00 N ATOM 903 CA GLN A 858 3.398 3.092 -1.205 1.00 0.00 C ATOM 904 C GLN A 858 3.158 4.319 -0.331 1.00 0.00 C ATOM 905 O GLN A 858 2.016 4.725 -0.112 1.00 0.00 O ATOM 906 CB GLN A 858 3.486 1.839 -0.333 1.00 0.00 C ATOM 907 CG GLN A 858 3.718 0.562 -1.124 1.00 0.00 C ATOM 908 CD GLN A 858 2.426 -0.078 -1.593 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.789 0.398 -2.533 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.031 -1.163 -0.938 1.00 0.00 N ATOM 0 H GLN A 858 5.441 2.809 -1.586 1.00 0.00 H new ATOM 0 HA GLN A 858 2.559 2.989 -1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.296 1.963 0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.564 1.739 0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.344 0.783 -1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.267 -0.148 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 858 2.590 -1.524 -0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.169 -1.636 -1.208 1.00 0.00 H new ATOM 919 N LEU A 859 4.242 4.905 0.167 1.00 0.00 N ATOM 920 CA LEU A 859 4.150 6.086 1.018 1.00 0.00 C ATOM 921 C LEU A 859 4.272 7.363 0.193 1.00 0.00 C ATOM 922 O LEU A 859 5.308 7.623 -0.419 1.00 0.00 O ATOM 923 CB LEU A 859 5.240 6.051 2.090 1.00 0.00 C ATOM 924 CG LEU A 859 5.442 4.712 2.800 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.356 4.878 4.004 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.102 4.126 3.222 1.00 0.00 C ATOM 0 H LEU A 859 5.194 4.581 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 859 3.173 6.081 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.184 6.341 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 859 5.007 6.806 2.841 1.00 0.00 H new ATOM 0 HG LEU A 859 5.916 4.021 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.488 3.914 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.325 5.254 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.911 5.585 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.264 3.173 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.601 4.815 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.480 3.969 2.341 1.00 0.00 H new ATOM 938 N LYS A 860 3.208 8.158 0.183 1.00 0.00 N ATOM 939 CA LYS A 860 3.196 9.411 -0.564 1.00 0.00 C ATOM 940 C LYS A 860 3.815 10.539 0.256 1.00 0.00 C ATOM 941 O LYS A 860 3.554 11.716 0.007 1.00 0.00 O ATOM 942 CB LYS A 860 1.764 9.779 -0.959 1.00 0.00 C ATOM 943 CG LYS A 860 0.830 9.946 0.227 1.00 0.00 C ATOM 944 CD LYS A 860 -0.608 9.625 -0.146 1.00 0.00 C ATOM 945 CE LYS A 860 -1.463 9.384 1.088 1.00 0.00 C ATOM 946 NZ LYS A 860 -1.373 7.973 1.558 1.00 0.00 N ATOM 0 H LYS A 860 2.342 7.957 0.684 1.00 0.00 H new ATOM 0 HA LYS A 860 3.791 9.273 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 860 1.781 10.707 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.367 9.006 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.151 9.293 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.891 10.969 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -1.027 10.448 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.631 8.742 -0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -1.145 10.054 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -2.502 9.626 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -1.970 7.849 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.700 7.335 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -0.386 7.749 1.797 1.00 0.00 H new ATOM 960 N PHE A 861 4.636 10.171 1.234 1.00 0.00 N ATOM 961 CA PHE A 861 5.292 11.153 2.090 1.00 0.00 C ATOM 962 C PHE A 861 6.775 10.830 2.250 1.00 0.00 C ATOM 963 O PHE A 861 7.198 9.677 2.162 1.00 0.00 O ATOM 964 CB PHE A 861 4.618 11.196 3.463 1.00 0.00 C ATOM 965 CG PHE A 861 4.917 9.997 4.316 1.00 0.00 C ATOM 966 CD1 PHE A 861 4.152 8.847 4.211 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.964 10.019 5.223 1.00 0.00 C ATOM 968 CE1 PHE A 861 4.425 7.742 4.995 1.00 0.00 C ATOM 969 CE2 PHE A 861 6.243 8.918 6.010 1.00 0.00 C ATOM 970 CZ PHE A 861 5.472 7.777 5.895 1.00 0.00 C ATOM 0 H PHE A 861 4.863 9.201 1.453 1.00 0.00 H new ATOM 0 HA PHE A 861 5.199 12.130 1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 861 4.940 12.095 3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.539 11.275 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 861 3.333 8.813 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.570 10.908 5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 861 3.820 6.852 4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 861 7.062 8.949 6.713 1.00 0.00 H new ATOM 0 HZ PHE A 861 5.688 6.914 6.508 1.00 0.00 H new ATOM 980 N PRO A 862 7.585 11.872 2.489 1.00 0.00 N ATOM 981 CA PRO A 862 9.032 11.726 2.666 1.00 0.00 C ATOM 982 C PRO A 862 9.389 11.024 3.971 1.00 0.00 C ATOM 983 O PRO A 862 8.872 11.369 5.034 1.00 0.00 O ATOM 984 CB PRO A 862 9.536 13.172 2.681 1.00 0.00 C ATOM 985 CG PRO A 862 8.368 13.975 3.139 1.00 0.00 C ATOM 986 CD PRO A 862 7.149 13.274 2.605 1.00 0.00 C ATOM 0 HA PRO A 862 9.478 11.113 1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.385 13.288 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.869 13.486 1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.338 14.035 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.426 14.997 2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.299 13.376 3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.842 13.680 1.641 1.00 0.00 H new ATOM 994 N VAL A 863 10.276 10.038 3.885 1.00 0.00 N ATOM 995 CA VAL A 863 10.703 9.288 5.060 1.00 0.00 C ATOM 996 C VAL A 863 12.198 9.457 5.307 1.00 0.00 C ATOM 997 O VAL A 863 13.023 9.050 4.489 1.00 0.00 O ATOM 998 CB VAL A 863 10.384 7.788 4.916 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.887 7.016 6.126 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.890 7.578 4.722 1.00 0.00 C ATOM 0 H VAL A 863 10.713 9.740 3.013 1.00 0.00 H new ATOM 0 HA VAL A 863 10.150 9.689 5.909 1.00 0.00 H new ATOM 0 HB VAL A 863 10.899 7.408 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.652 5.958 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.966 7.141 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.403 7.395 7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.682 6.513 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.352 7.973 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.564 8.097 3.821 1.00 0.00 H new ATOM 1010 N LYS A 864 12.541 10.060 6.440 1.00 0.00 N ATOM 1011 CA LYS A 864 13.937 10.282 6.797 1.00 0.00 C ATOM 1012 C LYS A 864 14.753 9.006 6.622 1.00 0.00 C ATOM 1013 O LYS A 864 14.235 7.892 6.706 1.00 0.00 O ATOM 1014 CB LYS A 864 14.043 10.773 8.243 1.00 0.00 C ATOM 1015 CG LYS A 864 13.322 12.086 8.493 1.00 0.00 C ATOM 1016 CD LYS A 864 13.685 12.672 9.848 1.00 0.00 C ATOM 1017 CE LYS A 864 13.040 14.033 10.057 1.00 0.00 C ATOM 1018 NZ LYS A 864 11.556 13.936 10.149 1.00 0.00 N ATOM 0 H LYS A 864 11.871 10.404 7.127 1.00 0.00 H new ATOM 0 HA LYS A 864 14.340 11.044 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.635 10.012 8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.095 10.891 8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 864 13.577 12.798 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.245 11.926 8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 864 13.365 11.992 10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.768 12.765 9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 864 13.432 14.484 10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 864 13.310 14.693 9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 11.163 14.863 10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 11.170 13.641 9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 11.298 13.236 10.873 1.00 0.00 H new ATOM 1032 N PRO A 865 16.061 9.168 6.373 1.00 0.00 N ATOM 1033 CA PRO A 865 16.977 8.039 6.183 1.00 0.00 C ATOM 1034 C PRO A 865 17.218 7.265 7.474 1.00 0.00 C ATOM 1035 O PRO A 865 17.369 6.044 7.457 1.00 0.00 O ATOM 1036 CB PRO A 865 18.270 8.708 5.710 1.00 0.00 C ATOM 1037 CG PRO A 865 18.203 10.092 6.258 1.00 0.00 C ATOM 1038 CD PRO A 865 16.747 10.466 6.259 1.00 0.00 C ATOM 0 HA PRO A 865 16.580 7.305 5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.148 8.178 6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.337 8.716 4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.617 10.133 7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.783 10.783 5.646 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.502 11.124 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.466 10.990 5.345 1.00 0.00 H new ATOM 1046 N ALA A 866 17.253 7.983 8.592 1.00 0.00 N ATOM 1047 CA ALA A 866 17.473 7.362 9.892 1.00 0.00 C ATOM 1048 C ALA A 866 16.401 6.319 10.191 1.00 0.00 C ATOM 1049 O ALA A 866 16.703 5.139 10.369 1.00 0.00 O ATOM 1050 CB ALA A 866 17.502 8.420 10.984 1.00 0.00 C ATOM 0 H ALA A 866 17.132 8.995 8.623 1.00 0.00 H new ATOM 0 HA ALA A 866 18.438 6.856 9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.667 7.942 11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.309 9.125 10.786 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.551 8.952 11.000 1.00 0.00 H new ATOM 1056 N ASP A 867 15.150 6.762 10.245 1.00 0.00 N ATOM 1057 CA ASP A 867 14.033 5.866 10.523 1.00 0.00 C ATOM 1058 C ASP A 867 14.024 4.691 9.550 1.00 0.00 C ATOM 1059 O ASP A 867 14.194 3.539 9.950 1.00 0.00 O ATOM 1060 CB ASP A 867 12.709 6.626 10.436 1.00 0.00 C ATOM 1061 CG ASP A 867 12.460 7.496 11.652 1.00 0.00 C ATOM 1062 OD1 ASP A 867 13.357 8.288 12.009 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.368 7.385 12.248 1.00 0.00 O ATOM 0 H ASP A 867 14.884 7.736 10.100 1.00 0.00 H new ATOM 0 HA ASP A 867 14.154 5.477 11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.709 7.249 9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.891 5.914 10.329 1.00 0.00 H new ATOM 1068 N LEU A 868 13.825 4.990 8.271 1.00 0.00 N ATOM 1069 CA LEU A 868 13.793 3.958 7.240 1.00 0.00 C ATOM 1070 C LEU A 868 14.779 2.839 7.559 1.00 0.00 C ATOM 1071 O LEU A 868 14.399 1.672 7.659 1.00 0.00 O ATOM 1072 CB LEU A 868 14.117 4.565 5.874 1.00 0.00 C ATOM 1073 CG LEU A 868 13.951 3.636 4.671 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.485 3.295 4.457 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.541 4.272 3.420 1.00 0.00 C ATOM 0 H LEU A 868 13.683 5.938 7.923 1.00 0.00 H new ATOM 0 HA LEU A 868 12.789 3.535 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.479 5.437 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.147 4.923 5.892 1.00 0.00 H new ATOM 0 HG LEU A 868 14.491 2.711 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.387 2.633 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 868 12.094 2.797 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.921 4.210 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.414 3.597 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.029 5.212 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.603 4.463 3.575 1.00 0.00 H new ATOM 1087 N LYS A 869 16.047 3.203 7.719 1.00 0.00 N ATOM 1088 CA LYS A 869 17.088 2.231 8.031 1.00 0.00 C ATOM 1089 C LYS A 869 16.686 1.364 9.219 1.00 0.00 C ATOM 1090 O LYS A 869 16.754 0.136 9.157 1.00 0.00 O ATOM 1091 CB LYS A 869 18.408 2.945 8.331 1.00 0.00 C ATOM 1092 CG LYS A 869 19.274 3.164 7.103 1.00 0.00 C ATOM 1093 CD LYS A 869 19.893 1.863 6.618 1.00 0.00 C ATOM 1094 CE LYS A 869 21.203 1.569 7.332 1.00 0.00 C ATOM 1095 NZ LYS A 869 20.992 0.770 8.571 1.00 0.00 N ATOM 0 H LYS A 869 16.378 4.164 7.638 1.00 0.00 H new ATOM 0 HA LYS A 869 17.219 1.586 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.193 3.910 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.969 2.362 9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.673 3.601 6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 869 20.063 3.879 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 869 19.195 1.043 6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.068 1.920 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 869 21.869 1.028 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 869 21.698 2.507 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 21.576 -0.090 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 21.264 1.336 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 19.989 0.505 8.647 1.00 0.00 H new ATOM 1109 N LYS A 870 16.265 2.010 10.302 1.00 0.00 N ATOM 1110 CA LYS A 870 15.848 1.298 11.504 1.00 0.00 C ATOM 1111 C LYS A 870 14.748 0.290 11.186 1.00 0.00 C ATOM 1112 O LYS A 870 14.955 -0.920 11.286 1.00 0.00 O ATOM 1113 CB LYS A 870 15.356 2.288 12.562 1.00 0.00 C ATOM 1114 CG LYS A 870 16.449 3.195 13.101 1.00 0.00 C ATOM 1115 CD LYS A 870 15.869 4.414 13.798 1.00 0.00 C ATOM 1116 CE LYS A 870 16.958 5.262 14.437 1.00 0.00 C ATOM 1117 NZ LYS A 870 17.420 4.688 15.731 1.00 0.00 N ATOM 0 H LYS A 870 16.204 3.026 10.371 1.00 0.00 H new ATOM 0 HA LYS A 870 16.710 0.757 11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.565 2.902 12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 870 14.915 1.733 13.390 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.073 2.638 13.800 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.094 3.515 12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.313 5.015 13.079 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.160 4.095 14.562 1.00 0.00 H new ATOM 0 HE2 LYS A 870 17.803 5.343 13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 870 16.582 6.272 14.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 18.162 5.295 16.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 16.619 4.634 16.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 17.802 3.734 15.571 1.00 0.00 H new ATOM 1131 N ARG A 871 13.581 0.796 10.802 1.00 0.00 N ATOM 1132 CA ARG A 871 12.449 -0.061 10.469 1.00 0.00 C ATOM 1133 C ARG A 871 12.916 -1.323 9.749 1.00 0.00 C ATOM 1134 O ARG A 871 12.501 -2.432 10.086 1.00 0.00 O ATOM 1135 CB ARG A 871 11.448 0.697 9.596 1.00 0.00 C ATOM 1136 CG ARG A 871 10.533 1.622 10.381 1.00 0.00 C ATOM 1137 CD ARG A 871 11.320 2.707 11.098 1.00 0.00 C ATOM 1138 NE ARG A 871 11.923 2.219 12.336 1.00 0.00 N ATOM 1139 CZ ARG A 871 12.251 3.007 13.354 1.00 0.00 C ATOM 1140 NH1 ARG A 871 12.035 4.313 13.282 1.00 0.00 N ATOM 1141 NH2 ARG A 871 12.795 2.489 14.447 1.00 0.00 N ATOM 0 H ARG A 871 13.394 1.795 10.714 1.00 0.00 H new ATOM 0 HA ARG A 871 11.961 -0.354 11.399 1.00 0.00 H new ATOM 0 HB2 ARG A 871 11.994 1.282 8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.840 -0.022 9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 871 9.811 2.081 9.705 1.00 0.00 H new ATOM 0 HG3 ARG A 871 9.965 1.042 11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 871 12.102 3.084 10.438 1.00 0.00 H new ATOM 0 HD3 ARG A 871 10.660 3.545 11.322 1.00 0.00 H new ATOM 0 HE ARG A 871 12.102 1.219 12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 871 11.616 4.715 12.443 1.00 0.00 H new ATOM 0 HH12 ARG A 871 12.288 4.916 14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 871 12.962 1.485 14.507 1.00 0.00 H new ATOM 0 HH22 ARG A 871 13.046 3.095 15.228 1.00 0.00 H new ATOM 1155 N ILE A 872 13.781 -1.145 8.756 1.00 0.00 N ATOM 1156 CA ILE A 872 14.304 -2.269 7.989 1.00 0.00 C ATOM 1157 C ILE A 872 15.053 -3.247 8.888 1.00 0.00 C ATOM 1158 O ILE A 872 14.654 -4.402 9.032 1.00 0.00 O ATOM 1159 CB ILE A 872 15.248 -1.795 6.868 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.515 -0.838 5.925 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.799 -2.987 6.100 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.443 -0.010 5.064 1.00 0.00 C ATOM 0 H ILE A 872 14.134 -0.234 8.464 1.00 0.00 H new ATOM 0 HA ILE A 872 13.446 -2.772 7.543 1.00 0.00 H new ATOM 0 HB ILE A 872 16.084 -1.261 7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.851 -1.414 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 872 13.887 -0.170 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.464 -2.636 5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.353 -3.634 6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.975 -3.547 5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 872 14.855 0.645 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.090 0.593 5.702 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.054 -0.670 4.448 1.00 0.00 H new ATOM 1174 N GLU A 873 16.139 -2.776 9.493 1.00 0.00 N ATOM 1175 CA GLU A 873 16.942 -3.609 10.379 1.00 0.00 C ATOM 1176 C GLU A 873 16.062 -4.316 11.407 1.00 0.00 C ATOM 1177 O GLU A 873 16.028 -5.545 11.470 1.00 0.00 O ATOM 1178 CB GLU A 873 17.999 -2.764 11.092 1.00 0.00 C ATOM 1179 CG GLU A 873 18.978 -2.088 10.146 1.00 0.00 C ATOM 1180 CD GLU A 873 20.089 -1.361 10.878 1.00 0.00 C ATOM 1181 OE1 GLU A 873 19.794 -0.345 11.543 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.251 -1.807 10.787 1.00 0.00 O ATOM 0 H GLU A 873 16.483 -1.822 9.385 1.00 0.00 H new ATOM 0 HA GLU A 873 17.441 -4.364 9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.500 -2.002 11.690 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.554 -3.399 11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.413 -2.836 9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.439 -1.380 9.516 1.00 0.00 H new ATOM 1189 N SER A 874 15.352 -3.530 12.210 1.00 0.00 N ATOM 1190 CA SER A 874 14.475 -4.079 13.237 1.00 0.00 C ATOM 1191 C SER A 874 13.668 -5.253 12.692 1.00 0.00 C ATOM 1192 O SER A 874 13.735 -6.365 13.216 1.00 0.00 O ATOM 1193 CB SER A 874 13.531 -2.996 13.764 1.00 0.00 C ATOM 1194 OG SER A 874 14.167 -2.199 14.748 1.00 0.00 O ATOM 0 H SER A 874 15.367 -2.511 12.169 1.00 0.00 H new ATOM 0 HA SER A 874 15.097 -4.438 14.057 1.00 0.00 H new ATOM 0 HB2 SER A 874 13.200 -2.365 12.939 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.640 -3.460 14.188 1.00 0.00 H new ATOM 0 HG SER A 874 13.543 -1.514 15.067 1.00 0.00 H new ATOM 1200 N LEU A 875 12.904 -4.997 11.636 1.00 0.00 N ATOM 1201 CA LEU A 875 12.082 -6.031 11.018 1.00 0.00 C ATOM 1202 C LEU A 875 12.884 -7.312 10.810 1.00 0.00 C ATOM 1203 O LEU A 875 12.434 -8.402 11.164 1.00 0.00 O ATOM 1204 CB LEU A 875 11.529 -5.539 9.679 1.00 0.00 C ATOM 1205 CG LEU A 875 10.330 -4.593 9.755 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.054 -3.971 8.395 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.101 -5.330 10.266 1.00 0.00 C ATOM 0 H LEU A 875 12.837 -4.082 11.190 1.00 0.00 H new ATOM 0 HA LEU A 875 11.251 -6.249 11.689 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.331 -5.034 9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.244 -6.407 9.085 1.00 0.00 H new ATOM 0 HG LEU A 875 10.567 -3.793 10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.197 -3.301 8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 875 10.928 -3.408 8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.838 -4.758 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.257 -4.641 10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.862 -6.151 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.302 -5.727 11.261 1.00 0.00 H new ATOM 1219 N ILE A 876 14.074 -7.172 10.235 1.00 0.00 N ATOM 1220 CA ILE A 876 14.939 -8.318 9.984 1.00 0.00 C ATOM 1221 C ILE A 876 15.188 -9.110 11.262 1.00 0.00 C ATOM 1222 O ILE A 876 15.250 -10.339 11.241 1.00 0.00 O ATOM 1223 CB ILE A 876 16.292 -7.881 9.392 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.078 -7.111 8.087 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.183 -9.092 9.158 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.330 -6.436 7.572 1.00 0.00 C ATOM 0 H ILE A 876 14.461 -6.277 9.935 1.00 0.00 H new ATOM 0 HA ILE A 876 14.423 -8.952 9.263 1.00 0.00 H new ATOM 0 HB ILE A 876 16.787 -7.221 10.104 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.706 -7.797 7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.306 -6.357 8.242 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.136 -8.767 8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.358 -9.603 10.105 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.695 -9.774 8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.104 -5.909 6.645 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.692 -5.725 8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.098 -7.187 7.385 1.00 0.00 H new ATOM 1238 N ASP A 877 15.329 -8.398 12.375 1.00 0.00 N ATOM 1239 CA ASP A 877 15.568 -9.034 13.665 1.00 0.00 C ATOM 1240 C ASP A 877 14.262 -9.532 14.276 1.00 0.00 C ATOM 1241 O ASP A 877 14.268 -10.314 15.227 1.00 0.00 O ATOM 1242 CB ASP A 877 16.253 -8.056 14.621 1.00 0.00 C ATOM 1243 CG ASP A 877 16.744 -8.732 15.886 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.390 -9.795 15.779 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.483 -8.196 16.984 1.00 0.00 O ATOM 0 H ASP A 877 15.282 -7.380 12.409 1.00 0.00 H new ATOM 0 HA ASP A 877 16.222 -9.891 13.504 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.095 -7.586 14.113 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.555 -7.261 14.884 1.00 0.00 H new ATOM 1250 N ARG A 878 13.143 -9.071 13.725 1.00 0.00 N ATOM 1251 CA ARG A 878 11.830 -9.467 14.218 1.00 0.00 C ATOM 1252 C ARG A 878 11.391 -10.789 13.593 1.00 0.00 C ATOM 1253 O ARG A 878 10.197 -11.070 13.485 1.00 0.00 O ATOM 1254 CB ARG A 878 10.798 -8.380 13.913 1.00 0.00 C ATOM 1255 CG ARG A 878 10.802 -7.238 14.917 1.00 0.00 C ATOM 1256 CD ARG A 878 9.447 -6.552 14.985 1.00 0.00 C ATOM 1257 NE ARG A 878 8.442 -7.389 15.636 1.00 0.00 N ATOM 1258 CZ ARG A 878 8.301 -7.478 16.954 1.00 0.00 C ATOM 1259 NH1 ARG A 878 9.096 -6.784 17.757 1.00 0.00 N ATOM 1260 NH2 ARG A 878 7.363 -8.261 17.470 1.00 0.00 N ATOM 0 H ARG A 878 13.120 -8.423 12.937 1.00 0.00 H new ATOM 0 HA ARG A 878 11.900 -9.600 15.298 1.00 0.00 H new ATOM 0 HB2 ARG A 878 10.989 -7.978 12.918 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.805 -8.829 13.890 1.00 0.00 H new ATOM 0 HG2 ARG A 878 11.068 -7.620 15.903 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.566 -6.511 14.640 1.00 0.00 H new ATOM 0 HD2 ARG A 878 9.543 -5.612 15.529 1.00 0.00 H new ATOM 0 HD3 ARG A 878 9.115 -6.305 13.977 1.00 0.00 H new ATOM 0 HE ARG A 878 7.814 -7.935 15.046 1.00 0.00 H new ATOM 0 HH11 ARG A 878 9.818 -6.180 17.363 1.00 0.00 H new ATOM 0 HH12 ARG A 878 8.986 -6.854 18.769 1.00 0.00 H new ATOM 0 HH21 ARG A 878 6.749 -8.795 16.855 1.00 0.00 H new ATOM 0 HH22 ARG A 878 7.255 -8.329 18.482 1.00 0.00 H new ATOM 1274 N ASP A 879 12.364 -11.595 13.183 1.00 0.00 N ATOM 1275 CA ASP A 879 12.078 -12.887 12.570 1.00 0.00 C ATOM 1276 C ASP A 879 11.168 -12.724 11.357 1.00 0.00 C ATOM 1277 O ASP A 879 10.175 -13.437 11.213 1.00 0.00 O ATOM 1278 CB ASP A 879 11.429 -13.826 13.588 1.00 0.00 C ATOM 1279 CG ASP A 879 11.681 -15.287 13.271 1.00 0.00 C ATOM 1280 OD1 ASP A 879 12.771 -15.602 12.748 1.00 0.00 O ATOM 1281 OD2 ASP A 879 10.789 -16.116 13.546 1.00 0.00 O ATOM 0 H ASP A 879 13.357 -11.377 13.264 1.00 0.00 H new ATOM 0 HA ASP A 879 13.021 -13.320 12.238 1.00 0.00 H new ATOM 0 HB2 ASP A 879 11.814 -13.601 14.582 1.00 0.00 H new ATOM 0 HB3 ASP A 879 10.355 -13.643 13.614 1.00 0.00 H new ATOM 1286 N TYR A 880 11.513 -11.780 10.488 1.00 0.00 N ATOM 1287 CA TYR A 880 10.725 -11.520 9.289 1.00 0.00 C ATOM 1288 C TYR A 880 11.590 -11.621 8.037 1.00 0.00 C ATOM 1289 O TYR A 880 11.145 -12.113 7.000 1.00 0.00 O ATOM 1290 CB TYR A 880 10.080 -10.135 9.367 1.00 0.00 C ATOM 1291 CG TYR A 880 8.830 -10.097 10.217 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.596 -10.458 9.690 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.882 -9.699 11.547 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.451 -10.424 10.462 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.743 -9.663 12.328 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.530 -10.025 11.780 1.00 0.00 C ATOM 1297 OH TYR A 880 5.392 -9.991 12.554 1.00 0.00 O ATOM 0 H TYR A 880 12.333 -11.182 10.592 1.00 0.00 H new ATOM 0 HA TYR A 880 9.941 -12.275 9.229 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.805 -9.428 9.770 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.834 -9.800 8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.531 -10.771 8.658 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.830 -9.413 11.978 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.500 -10.708 10.036 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.802 -9.353 13.361 1.00 0.00 H new ATOM 0 HH TYR A 880 5.620 -9.689 13.458 1.00 0.00 H new ATOM 1307 N MET A 881 12.828 -11.151 8.142 1.00 0.00 N ATOM 1308 CA MET A 881 13.758 -11.189 7.018 1.00 0.00 C ATOM 1309 C MET A 881 15.148 -11.616 7.477 1.00 0.00 C ATOM 1310 O MET A 881 15.486 -11.496 8.655 1.00 0.00 O ATOM 1311 CB MET A 881 13.829 -9.820 6.341 1.00 0.00 C ATOM 1312 CG MET A 881 12.475 -9.291 5.895 1.00 0.00 C ATOM 1313 SD MET A 881 11.648 -10.393 4.733 1.00 0.00 S ATOM 1314 CE MET A 881 12.579 -10.070 3.238 1.00 0.00 C ATOM 0 H MET A 881 13.211 -10.739 8.993 1.00 0.00 H new ATOM 0 HA MET A 881 13.391 -11.922 6.300 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.280 -9.106 7.030 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.487 -9.886 5.475 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.839 -9.148 6.769 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.606 -8.313 5.432 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.141 -10.626 2.409 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.551 -9.003 3.015 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.613 -10.384 3.379 1.00 0.00 H new ATOM 1324 N GLU A 882 15.950 -12.112 6.540 1.00 0.00 N ATOM 1325 CA GLU A 882 17.304 -12.557 6.851 1.00 0.00 C ATOM 1326 C GLU A 882 18.319 -11.899 5.922 1.00 0.00 C ATOM 1327 O GLU A 882 18.064 -11.725 4.730 1.00 0.00 O ATOM 1328 CB GLU A 882 17.403 -14.080 6.737 1.00 0.00 C ATOM 1329 CG GLU A 882 17.167 -14.601 5.330 1.00 0.00 C ATOM 1330 CD GLU A 882 17.813 -15.953 5.093 1.00 0.00 C ATOM 1331 OE1 GLU A 882 17.383 -16.935 5.733 1.00 0.00 O ATOM 1332 OE2 GLU A 882 18.747 -16.028 4.268 1.00 0.00 O ATOM 0 H GLU A 882 15.686 -12.216 5.560 1.00 0.00 H new ATOM 0 HA GLU A 882 17.530 -12.262 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.390 -14.398 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.676 -14.534 7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.095 -14.678 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.560 -13.883 4.610 1.00 0.00 H new ATOM 1339 N ARG A 883 19.471 -11.535 6.476 1.00 0.00 N ATOM 1340 CA ARG A 883 20.525 -10.895 5.698 1.00 0.00 C ATOM 1341 C ARG A 883 21.267 -11.918 4.843 1.00 0.00 C ATOM 1342 O ARG A 883 21.875 -12.853 5.365 1.00 0.00 O ATOM 1343 CB ARG A 883 21.508 -10.178 6.624 1.00 0.00 C ATOM 1344 CG ARG A 883 20.896 -9.005 7.372 1.00 0.00 C ATOM 1345 CD ARG A 883 21.967 -8.091 7.947 1.00 0.00 C ATOM 1346 NE ARG A 883 22.840 -8.793 8.884 1.00 0.00 N ATOM 1347 CZ ARG A 883 22.520 -9.028 10.152 1.00 0.00 C ATOM 1348 NH1 ARG A 883 21.354 -8.619 10.632 1.00 0.00 N ATOM 1349 NH2 ARG A 883 23.368 -9.673 10.943 1.00 0.00 N ATOM 0 H ARG A 883 19.698 -11.672 7.461 1.00 0.00 H new ATOM 0 HA ARG A 883 20.061 -10.163 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.901 -10.893 7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.354 -9.821 6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.255 -8.437 6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.262 -9.376 8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.565 -7.677 7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 883 21.493 -7.251 8.454 1.00 0.00 H new ATOM 0 HE ARG A 883 23.745 -9.121 8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 883 20.700 -8.122 10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 883 21.111 -8.801 11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 883 24.266 -9.989 10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 883 23.121 -9.853 11.916 1.00 0.00 H new ATOM 1363 N ASP A 884 21.213 -11.734 3.529 1.00 0.00 N ATOM 1364 CA ASP A 884 21.881 -12.640 2.601 1.00 0.00 C ATOM 1365 C ASP A 884 23.321 -12.896 3.035 1.00 0.00 C ATOM 1366 O ASP A 884 24.160 -11.995 3.004 1.00 0.00 O ATOM 1367 CB ASP A 884 21.856 -12.063 1.185 1.00 0.00 C ATOM 1368 CG ASP A 884 22.265 -13.081 0.138 1.00 0.00 C ATOM 1369 OD1 ASP A 884 21.999 -14.284 0.345 1.00 0.00 O ATOM 1370 OD2 ASP A 884 22.849 -12.675 -0.887 1.00 0.00 O ATOM 0 H ASP A 884 20.713 -10.965 3.082 1.00 0.00 H new ATOM 0 HA ASP A 884 21.344 -13.589 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.853 -11.699 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.525 -11.204 1.134 1.00 0.00 H new ATOM 1375 N LYS A 885 23.601 -14.130 3.439 1.00 0.00 N ATOM 1376 CA LYS A 885 24.939 -14.507 3.879 1.00 0.00 C ATOM 1377 C LYS A 885 26.004 -13.756 3.086 1.00 0.00 C ATOM 1378 O LYS A 885 27.012 -13.319 3.641 1.00 0.00 O ATOM 1379 CB LYS A 885 25.143 -16.016 3.726 1.00 0.00 C ATOM 1380 CG LYS A 885 24.697 -16.816 4.937 1.00 0.00 C ATOM 1381 CD LYS A 885 24.329 -18.241 4.559 1.00 0.00 C ATOM 1382 CE LYS A 885 25.552 -19.145 4.535 1.00 0.00 C ATOM 1383 NZ LYS A 885 25.192 -20.557 4.231 1.00 0.00 N ATOM 0 H LYS A 885 22.918 -14.887 3.471 1.00 0.00 H new ATOM 0 HA LYS A 885 25.037 -14.239 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 885 24.593 -16.361 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.198 -16.214 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.495 -16.830 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 885 23.839 -16.328 5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 885 23.601 -18.631 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 885 23.852 -18.247 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 885 26.258 -18.781 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 885 26.057 -19.099 5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 26.053 -21.141 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 24.538 -20.913 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 24.733 -20.605 3.299 1.00 0.00 H new ATOM 1397 N GLU A 886 25.773 -13.609 1.785 1.00 0.00 N ATOM 1398 CA GLU A 886 26.713 -12.910 0.917 1.00 0.00 C ATOM 1399 C GLU A 886 26.874 -11.455 1.349 1.00 0.00 C ATOM 1400 O GLU A 886 27.968 -11.022 1.710 1.00 0.00 O ATOM 1401 CB GLU A 886 26.241 -12.971 -0.537 1.00 0.00 C ATOM 1402 CG GLU A 886 26.771 -14.174 -1.299 1.00 0.00 C ATOM 1403 CD GLU A 886 28.108 -13.903 -1.961 1.00 0.00 C ATOM 1404 OE1 GLU A 886 28.121 -13.268 -3.035 1.00 0.00 O ATOM 1405 OE2 GLU A 886 29.142 -14.328 -1.403 1.00 0.00 O ATOM 0 H GLU A 886 24.944 -13.964 1.309 1.00 0.00 H new ATOM 0 HA GLU A 886 27.681 -13.405 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 886 25.151 -12.991 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.552 -12.061 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 886 26.873 -15.017 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 886 26.046 -14.466 -2.059 1.00 0.00 H new ATOM 1412 N ASN A 887 25.777 -10.706 1.309 1.00 0.00 N ATOM 1413 CA ASN A 887 25.797 -9.300 1.695 1.00 0.00 C ATOM 1414 C ASN A 887 24.522 -8.924 2.445 1.00 0.00 C ATOM 1415 O ASN A 887 23.430 -9.407 2.144 1.00 0.00 O ATOM 1416 CB ASN A 887 25.956 -8.412 0.459 1.00 0.00 C ATOM 1417 CG ASN A 887 25.038 -8.829 -0.674 1.00 0.00 C ATOM 1418 OD1 ASN A 887 23.831 -8.595 -0.628 1.00 0.00 O ATOM 1419 ND2 ASN A 887 25.610 -9.451 -1.699 1.00 0.00 N ATOM 0 H ASN A 887 24.863 -11.049 1.013 1.00 0.00 H new ATOM 0 HA ASN A 887 26.648 -9.143 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.748 -7.377 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 887 26.991 -8.451 0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 887 25.044 -9.756 -2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 887 26.615 -9.624 -1.694 1.00 0.00 H new ATOM 1426 N PRO A 888 24.662 -8.041 3.445 1.00 0.00 N ATOM 1427 CA PRO A 888 23.533 -7.580 4.257 1.00 0.00 C ATOM 1428 C PRO A 888 22.580 -6.686 3.471 1.00 0.00 C ATOM 1429 O PRO A 888 21.476 -6.389 3.925 1.00 0.00 O ATOM 1430 CB PRO A 888 24.205 -6.787 5.381 1.00 0.00 C ATOM 1431 CG PRO A 888 25.503 -6.338 4.804 1.00 0.00 C ATOM 1432 CD PRO A 888 25.934 -7.425 3.859 1.00 0.00 C ATOM 0 HA PRO A 888 22.919 -8.409 4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.593 -5.938 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.358 -7.406 6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.390 -5.388 4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.246 -6.184 5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.482 -7.023 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.589 -8.146 4.348 1.00 0.00 H new ATOM 1440 N ASN A 889 23.014 -6.261 2.289 1.00 0.00 N ATOM 1441 CA ASN A 889 22.198 -5.401 1.439 1.00 0.00 C ATOM 1442 C ASN A 889 20.976 -6.151 0.919 1.00 0.00 C ATOM 1443 O ASN A 889 19.894 -5.579 0.789 1.00 0.00 O ATOM 1444 CB ASN A 889 23.027 -4.877 0.264 1.00 0.00 C ATOM 1445 CG ASN A 889 24.021 -3.813 0.686 1.00 0.00 C ATOM 1446 OD1 ASN A 889 23.692 -2.912 1.457 1.00 0.00 O ATOM 1447 ND2 ASN A 889 25.245 -3.914 0.182 1.00 0.00 N ATOM 0 H ASN A 889 23.926 -6.498 1.898 1.00 0.00 H new ATOM 0 HA ASN A 889 21.856 -4.558 2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.562 -5.707 -0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.359 -4.466 -0.494 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.957 -3.228 0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 889 25.473 -4.678 -0.454 1.00 0.00 H new ATOM 1454 N GLN A 890 21.156 -7.435 0.626 1.00 0.00 N ATOM 1455 CA GLN A 890 20.068 -8.263 0.120 1.00 0.00 C ATOM 1456 C GLN A 890 19.411 -9.048 1.251 1.00 0.00 C ATOM 1457 O GLN A 890 20.087 -9.741 2.012 1.00 0.00 O ATOM 1458 CB GLN A 890 20.585 -9.224 -0.951 1.00 0.00 C ATOM 1459 CG GLN A 890 19.557 -10.253 -1.393 1.00 0.00 C ATOM 1460 CD GLN A 890 19.804 -10.759 -2.800 1.00 0.00 C ATOM 1461 OE1 GLN A 890 20.187 -9.996 -3.688 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.586 -12.051 -3.013 1.00 0.00 N ATOM 0 H GLN A 890 22.045 -7.924 0.730 1.00 0.00 H new ATOM 0 HA GLN A 890 19.321 -7.605 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.907 -8.648 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.464 -9.742 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.571 -11.095 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.561 -9.812 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 890 19.269 -12.648 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.736 -12.447 -3.941 1.00 0.00 H new ATOM 1471 N TYR A 891 18.092 -8.935 1.355 1.00 0.00 N ATOM 1472 CA TYR A 891 17.344 -9.632 2.395 1.00 0.00 C ATOM 1473 C TYR A 891 16.435 -10.697 1.790 1.00 0.00 C ATOM 1474 O TYR A 891 16.028 -10.599 0.634 1.00 0.00 O ATOM 1475 CB TYR A 891 16.514 -8.638 3.208 1.00 0.00 C ATOM 1476 CG TYR A 891 17.256 -7.366 3.552 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.231 -7.353 4.541 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.983 -6.178 2.885 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.911 -6.193 4.858 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.659 -5.014 3.195 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.622 -5.026 4.182 1.00 0.00 C ATOM 1482 OH TYR A 891 19.298 -3.869 4.494 1.00 0.00 O ATOM 0 H TYR A 891 17.518 -8.367 0.732 1.00 0.00 H new ATOM 0 HA TYR A 891 18.059 -10.123 3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.615 -8.383 2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.188 -9.119 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.461 -8.265 5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.230 -6.165 2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.665 -6.200 5.631 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.434 -4.099 2.667 1.00 0.00 H new ATOM 0 HH TYR A 891 18.976 -3.139 3.925 1.00 0.00 H new ATOM 1492 N ASN A 892 16.120 -11.716 2.584 1.00 0.00 N ATOM 1493 CA ASN A 892 15.258 -12.801 2.128 1.00 0.00 C ATOM 1494 C ASN A 892 14.044 -12.951 3.040 1.00 0.00 C ATOM 1495 O ASN A 892 14.079 -12.559 4.207 1.00 0.00 O ATOM 1496 CB ASN A 892 16.040 -14.116 2.081 1.00 0.00 C ATOM 1497 CG ASN A 892 17.305 -14.007 1.252 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.268 -14.112 0.026 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.433 -13.794 1.920 1.00 0.00 N ATOM 0 H ASN A 892 16.448 -11.813 3.545 1.00 0.00 H new ATOM 0 HA ASN A 892 14.909 -12.557 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.299 -14.418 3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.404 -14.899 1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.316 -13.711 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.416 -13.714 2.937 1.00 0.00 H new ATOM 1506 N TYR A 893 12.972 -13.520 2.500 1.00 0.00 N ATOM 1507 CA TYR A 893 11.747 -13.721 3.264 1.00 0.00 C ATOM 1508 C TYR A 893 11.837 -14.981 4.118 1.00 0.00 C ATOM 1509 O TYR A 893 12.177 -16.057 3.624 1.00 0.00 O ATOM 1510 CB TYR A 893 10.544 -13.814 2.323 1.00 0.00 C ATOM 1511 CG TYR A 893 9.214 -13.837 3.041 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.836 -12.794 3.878 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.335 -14.901 2.884 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.622 -12.811 4.537 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.118 -14.926 3.537 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.766 -13.879 4.363 1.00 0.00 C ATOM 1517 OH TYR A 893 5.556 -13.900 5.017 1.00 0.00 O ATOM 0 H TYR A 893 12.927 -13.850 1.536 1.00 0.00 H new ATOM 0 HA TYR A 893 11.618 -12.865 3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.563 -12.966 1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.636 -14.716 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.503 -11.956 4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.608 -15.724 2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.344 -11.993 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.446 -15.761 3.402 1.00 0.00 H new ATOM 0 HH TYR A 893 5.073 -14.721 4.786 1.00 0.00 H new ATOM 1527 N ILE A 894 11.528 -14.841 5.403 1.00 0.00 N ATOM 1528 CA ILE A 894 11.572 -15.968 6.326 1.00 0.00 C ATOM 1529 C ILE A 894 10.231 -16.157 7.027 1.00 0.00 C ATOM 1530 O ILE A 894 9.810 -17.283 7.290 1.00 0.00 O ATOM 1531 CB ILE A 894 12.672 -15.782 7.389 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.571 -14.393 8.022 1.00 0.00 C ATOM 1533 CG2 ILE A 894 14.047 -15.989 6.769 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.593 -14.150 9.111 1.00 0.00 C ATOM 0 H ILE A 894 11.245 -13.958 5.828 1.00 0.00 H new ATOM 0 HA ILE A 894 11.797 -16.854 5.732 1.00 0.00 H new ATOM 0 HB ILE A 894 12.531 -16.528 8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.694 -13.639 7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.572 -14.263 8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.814 -15.854 7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 894 14.114 -16.997 6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.199 -15.263 5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.463 -13.146 9.515 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.457 -14.882 9.907 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.596 -14.247 8.696 1.00 0.00 H new ATOM 1546 N ALA A 895 9.564 -15.047 7.326 1.00 0.00 N ATOM 1547 CA ALA A 895 8.269 -15.090 7.992 1.00 0.00 C ATOM 1548 C ALA A 895 7.346 -16.111 7.334 1.00 0.00 C ATOM 1549 O ALA A 895 7.370 -16.288 6.116 1.00 0.00 O ATOM 1550 CB ALA A 895 7.624 -13.712 7.984 1.00 0.00 C ATOM 0 H ALA A 895 9.900 -14.107 7.117 1.00 0.00 H new ATOM 0 HA ALA A 895 8.431 -15.397 9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.657 -13.760 8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.269 -13.005 8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.483 -13.382 6.955 1.00 0.00 H new ATOM 1556 N SER A 896 6.536 -16.780 8.147 1.00 0.00 N ATOM 1557 CA SER A 896 5.608 -17.787 7.644 1.00 0.00 C ATOM 1558 C SER A 896 4.165 -17.394 7.942 1.00 0.00 C ATOM 1559 O SER A 896 3.740 -17.377 9.097 1.00 0.00 O ATOM 1560 CB SER A 896 5.916 -19.151 8.265 1.00 0.00 C ATOM 1561 OG SER A 896 4.880 -20.079 7.996 1.00 0.00 O ATOM 0 H SER A 896 6.503 -16.643 9.157 1.00 0.00 H new ATOM 0 HA SER A 896 5.732 -17.852 6.563 1.00 0.00 H new ATOM 0 HB2 SER A 896 6.859 -19.529 7.870 1.00 0.00 H new ATOM 0 HB3 SER A 896 6.042 -19.044 9.342 1.00 0.00 H new ATOM 0 HG SER A 896 5.101 -20.943 8.402 1.00 0.00 H new ATOM 1567 N GLY A 897 3.415 -17.077 6.891 1.00 0.00 N ATOM 1568 CA GLY A 897 2.027 -16.688 7.060 1.00 0.00 C ATOM 1569 C GLY A 897 1.066 -17.682 6.438 1.00 0.00 C ATOM 1570 O GLY A 897 1.446 -18.509 5.610 1.00 0.00 O ATOM 0 H GLY A 897 3.744 -17.083 5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 897 1.807 -16.591 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 897 1.871 -15.707 6.612 1.00 0.00 H new ATOM 1574 N PRO A 898 -0.211 -17.608 6.842 1.00 0.00 N ATOM 1575 CA PRO A 898 -1.255 -18.502 6.333 1.00 0.00 C ATOM 1576 C PRO A 898 -1.598 -18.220 4.874 1.00 0.00 C ATOM 1577 O PRO A 898 -1.094 -17.267 4.281 1.00 0.00 O ATOM 1578 CB PRO A 898 -2.455 -18.195 7.232 1.00 0.00 C ATOM 1579 CG PRO A 898 -2.225 -16.803 7.709 1.00 0.00 C ATOM 1580 CD PRO A 898 -0.734 -16.647 7.827 1.00 0.00 C ATOM 0 HA PRO A 898 -0.944 -19.546 6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 898 -3.393 -18.275 6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 898 -2.514 -18.894 8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 898 -2.639 -16.077 7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 898 -2.712 -16.634 8.669 1.00 0.00 H new ATOM 0 HD2 PRO A 898 -0.418 -15.629 7.602 1.00 0.00 H new ATOM 0 HD3 PRO A 898 -0.385 -16.874 8.834 1.00 0.00 H new ATOM 1588 N SER A 899 -2.458 -19.056 4.301 1.00 0.00 N ATOM 1589 CA SER A 899 -2.865 -18.899 2.909 1.00 0.00 C ATOM 1590 C SER A 899 -4.060 -19.791 2.589 1.00 0.00 C ATOM 1591 O SER A 899 -3.948 -21.017 2.575 1.00 0.00 O ATOM 1592 CB SER A 899 -1.701 -19.231 1.974 1.00 0.00 C ATOM 1593 OG SER A 899 -0.874 -18.099 1.767 1.00 0.00 O ATOM 0 H SER A 899 -2.886 -19.849 4.779 1.00 0.00 H new ATOM 0 HA SER A 899 -3.158 -17.860 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 899 -1.111 -20.044 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 899 -2.088 -19.583 1.017 1.00 0.00 H new ATOM 0 HG SER A 899 -0.808 -17.585 2.599 1.00 0.00 H new ATOM 1599 N SER A 900 -5.205 -19.166 2.332 1.00 0.00 N ATOM 1600 CA SER A 900 -6.423 -19.903 2.015 1.00 0.00 C ATOM 1601 C SER A 900 -6.226 -20.774 0.778 1.00 0.00 C ATOM 1602 O SER A 900 -6.191 -20.276 -0.346 1.00 0.00 O ATOM 1603 CB SER A 900 -7.586 -18.934 1.790 1.00 0.00 C ATOM 1604 OG SER A 900 -8.757 -19.626 1.391 1.00 0.00 O ATOM 0 H SER A 900 -5.315 -18.152 2.337 1.00 0.00 H new ATOM 0 HA SER A 900 -6.656 -20.551 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 900 -7.783 -18.378 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 900 -7.313 -18.205 1.027 1.00 0.00 H new ATOM 0 HG SER A 900 -9.486 -18.985 1.255 1.00 0.00 H new ATOM 1610 N GLY A 901 -6.096 -22.079 0.996 1.00 0.00 N ATOM 1611 CA GLY A 901 -5.903 -23.000 -0.109 1.00 0.00 C ATOM 1612 C GLY A 901 -7.200 -23.331 -0.821 1.00 0.00 C ATOM 1613 O GLY A 901 -8.226 -22.692 -0.586 1.00 0.00 O ATOM 0 H GLY A 901 -6.121 -22.515 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -5.201 -22.566 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -5.451 -23.920 0.263 1.00 0.00 H new TER 1617 GLY A 901