USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 903 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 860 CYS SG : rot -10:sc= 1.15 USER MOD Set 1.2: A 878 TYR OH : rot -30:sc= -0.344! USER MOD Single : A 775 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 776 GLN : amide:sc=-0.00357 K(o=-0.0036,f=-2.4!) USER MOD Single : A 781 GLN : amide:sc= 0.713 K(o=0.71,f=-6.5!) USER MOD Single : A 786 GLN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 789 GLN :FLIP amide:sc= -0.359 F(o=-4.5!,f=-0.36) USER MOD Single : A 793 THR OG1 : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 74:sc= 0.612 USER MOD Single : A 802 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.32) USER MOD Single : A 804 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 806 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.021) USER MOD Single : A 808 SER OG : rot 161:sc= -1.76! USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot 57:sc= 1.18 USER MOD Single : A 817 THR OG1 : rot -79:sc= 0.995 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 TYR OH : rot 180:sc= 0 USER MOD Single : A 827 THR OG1 : rot 75:sc= 1.08 USER MOD Single : A 831 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 839 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 840 THR OG1 : rot 149:sc= 1.34 USER MOD Single : A 842 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.0006) USER MOD Single : A 845 LYS NZ :NH3+ -137:sc= 2.18 (180deg=-0.799) USER MOD Single : A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 852 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 857 LYS NZ :NH3+ -169:sc= 1.24 (180deg=0.77) USER MOD Single : A 858 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.1!) USER MOD Single : A 862 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 865 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 62:sc= 1.11 USER MOD Single : A 884 SER OG : rot -94:sc= 0.0843 USER MOD Single : A 885 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 887 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.845) USER MOD Single : A 888 SER OG : rot -82:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 775 -16.823 41.736 29.511 1.00 0.00 N ATOM 2 CA MET A 775 -15.371 41.959 29.330 1.00 0.00 C ATOM 3 C MET A 775 -14.608 41.473 30.555 1.00 0.00 C ATOM 4 O MET A 775 -13.741 40.608 30.442 1.00 0.00 O ATOM 5 CB MET A 775 -15.088 43.442 29.099 1.00 0.00 C ATOM 6 CG MET A 775 -14.373 43.735 27.790 1.00 0.00 C ATOM 7 SD MET A 775 -13.877 45.462 27.647 1.00 0.00 S ATOM 8 CE MET A 775 -12.420 45.317 26.615 1.00 0.00 C ATOM 0 HA MET A 775 -15.040 41.395 28.458 1.00 0.00 H new ATOM 0 HB2 MET A 775 -16.031 43.989 29.117 1.00 0.00 H new ATOM 0 HB3 MET A 775 -14.484 43.820 29.924 1.00 0.00 H new ATOM 0 HG2 MET A 775 -13.491 43.099 27.711 1.00 0.00 H new ATOM 0 HG3 MET A 775 -15.027 43.478 26.957 1.00 0.00 H new ATOM 0 HE1 MET A 775 -11.999 46.307 26.438 1.00 0.00 H new ATOM 0 HE2 MET A 775 -11.680 44.693 27.116 1.00 0.00 H new ATOM 0 HE3 MET A 775 -12.693 44.863 25.662 1.00 0.00 H new ATOM 20 N GLN A 776 -14.947 42.056 31.716 1.00 0.00 N ATOM 21 CA GLN A 776 -14.400 41.680 33.036 1.00 0.00 C ATOM 22 C GLN A 776 -12.877 41.489 33.041 1.00 0.00 C ATOM 23 O GLN A 776 -12.351 40.775 33.896 1.00 0.00 O ATOM 24 CB GLN A 776 -15.110 40.429 33.586 1.00 0.00 C ATOM 25 CG GLN A 776 -14.836 39.142 32.816 1.00 0.00 C ATOM 26 CD GLN A 776 -16.076 38.603 32.125 1.00 0.00 C ATOM 27 OE1 GLN A 776 -16.632 39.247 31.232 1.00 0.00 O ATOM 28 NE2 GLN A 776 -16.524 37.428 32.537 1.00 0.00 N ATOM 0 H GLN A 776 -15.623 42.818 31.768 1.00 0.00 H new ATOM 0 HA GLN A 776 -14.599 42.524 33.696 1.00 0.00 H new ATOM 0 HB2 GLN A 776 -14.808 40.285 34.624 1.00 0.00 H new ATOM 0 HB3 GLN A 776 -16.185 40.611 33.589 1.00 0.00 H new ATOM 0 HG2 GLN A 776 -14.060 39.325 32.072 1.00 0.00 H new ATOM 0 HG3 GLN A 776 -14.449 38.388 33.501 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -16.035 36.927 33.279 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -17.359 37.023 32.113 1.00 0.00 H new ATOM 37 N GLU A 777 -12.198 42.192 32.124 1.00 0.00 N ATOM 38 CA GLU A 777 -10.746 42.099 31.900 1.00 0.00 C ATOM 39 C GLU A 777 -10.465 42.341 30.425 1.00 0.00 C ATOM 40 O GLU A 777 -9.796 43.302 30.045 1.00 0.00 O ATOM 41 CB GLU A 777 -10.173 40.727 32.283 1.00 0.00 C ATOM 42 CG GLU A 777 -8.696 40.762 32.628 1.00 0.00 C ATOM 43 CD GLU A 777 -7.834 40.140 31.550 1.00 0.00 C ATOM 44 OE1 GLU A 777 -7.968 38.923 31.302 1.00 0.00 O ATOM 45 OE2 GLU A 777 -7.016 40.864 30.948 1.00 0.00 O ATOM 0 H GLU A 777 -12.654 42.859 31.501 1.00 0.00 H new ATOM 0 HA GLU A 777 -10.269 42.847 32.533 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -10.728 40.336 33.136 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -10.328 40.034 31.456 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -8.387 41.796 32.784 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.533 40.235 33.568 1.00 0.00 H new ATOM 52 N ALA A 778 -11.028 41.458 29.611 1.00 0.00 N ATOM 53 CA ALA A 778 -10.856 41.459 28.173 1.00 0.00 C ATOM 54 C ALA A 778 -11.716 40.347 27.600 1.00 0.00 C ATOM 55 O ALA A 778 -11.625 39.203 28.044 1.00 0.00 O ATOM 56 CB ALA A 778 -9.397 41.260 27.790 1.00 0.00 C ATOM 0 H ALA A 778 -11.630 40.705 29.945 1.00 0.00 H new ATOM 0 HA ALA A 778 -11.161 42.423 27.767 1.00 0.00 H new ATOM 0 HB1 ALA A 778 -9.302 41.266 26.704 1.00 0.00 H new ATOM 0 HB2 ALA A 778 -8.797 42.067 28.211 1.00 0.00 H new ATOM 0 HB3 ALA A 778 -9.045 40.305 28.180 1.00 0.00 H new ATOM 62 N VAL A 779 -12.578 40.698 26.658 1.00 0.00 N ATOM 63 CA VAL A 779 -13.519 39.744 26.073 1.00 0.00 C ATOM 64 C VAL A 779 -12.805 38.490 25.572 1.00 0.00 C ATOM 65 O VAL A 779 -12.026 38.539 24.620 1.00 0.00 O ATOM 66 CB VAL A 779 -14.330 40.364 24.913 1.00 0.00 C ATOM 67 CG1 VAL A 779 -15.708 40.787 25.396 1.00 0.00 C ATOM 68 CG2 VAL A 779 -13.595 41.543 24.293 1.00 0.00 C ATOM 0 H VAL A 779 -12.648 41.642 26.278 1.00 0.00 H new ATOM 0 HA VAL A 779 -14.209 39.470 26.871 1.00 0.00 H new ATOM 0 HB VAL A 779 -14.448 39.603 24.142 1.00 0.00 H new ATOM 0 HG11 VAL A 779 -16.267 41.222 24.567 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -16.243 39.917 25.777 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -15.604 41.526 26.191 1.00 0.00 H new ATOM 0 HG21 VAL A 779 -14.192 41.957 23.480 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -13.432 42.310 25.051 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -12.634 41.208 23.903 1.00 0.00 H new ATOM 78 N LEU A 780 -13.064 37.374 26.238 1.00 0.00 N ATOM 79 CA LEU A 780 -12.430 36.110 25.893 1.00 0.00 C ATOM 80 C LEU A 780 -13.455 35.140 25.319 1.00 0.00 C ATOM 81 O LEU A 780 -14.647 35.452 25.245 1.00 0.00 O ATOM 82 CB LEU A 780 -11.740 35.502 27.123 1.00 0.00 C ATOM 83 CG LEU A 780 -12.672 35.051 28.249 1.00 0.00 C ATOM 84 CD1 LEU A 780 -12.208 33.723 28.819 1.00 0.00 C ATOM 85 CD2 LEU A 780 -12.735 36.105 29.346 1.00 0.00 C ATOM 0 H LEU A 780 -13.712 37.318 27.024 1.00 0.00 H new ATOM 0 HA LEU A 780 -11.672 36.299 25.133 1.00 0.00 H new ATOM 0 HB2 LEU A 780 -11.150 34.645 26.799 1.00 0.00 H new ATOM 0 HB3 LEU A 780 -11.042 36.236 27.526 1.00 0.00 H new ATOM 0 HG LEU A 780 -13.673 34.923 27.837 1.00 0.00 H new ATOM 0 HD11 LEU A 780 -12.881 33.415 29.619 1.00 0.00 H new ATOM 0 HD12 LEU A 780 -12.211 32.969 28.032 1.00 0.00 H new ATOM 0 HD13 LEU A 780 -11.198 33.830 29.215 1.00 0.00 H new ATOM 0 HD21 LEU A 780 -13.403 35.766 30.138 1.00 0.00 H new ATOM 0 HD22 LEU A 780 -11.737 36.264 29.756 1.00 0.00 H new ATOM 0 HD23 LEU A 780 -13.110 37.040 28.931 1.00 0.00 H new ATOM 97 N GLN A 781 -12.990 33.974 24.902 1.00 0.00 N ATOM 98 CA GLN A 781 -13.863 32.971 24.313 1.00 0.00 C ATOM 99 C GLN A 781 -14.001 31.774 25.242 1.00 0.00 C ATOM 100 O GLN A 781 -13.448 31.764 26.340 1.00 0.00 O ATOM 101 CB GLN A 781 -13.308 32.515 22.965 1.00 0.00 C ATOM 102 CG GLN A 781 -14.074 33.063 21.776 1.00 0.00 C ATOM 103 CD GLN A 781 -15.261 32.202 21.399 1.00 0.00 C ATOM 104 OE1 GLN A 781 -15.782 31.435 22.211 1.00 0.00 O ATOM 105 NE2 GLN A 781 -15.701 32.331 20.163 1.00 0.00 N ATOM 0 H GLN A 781 -12.010 33.698 24.961 1.00 0.00 H new ATOM 0 HA GLN A 781 -14.846 33.417 24.163 1.00 0.00 H new ATOM 0 HB2 GLN A 781 -12.265 32.823 22.888 1.00 0.00 H new ATOM 0 HB3 GLN A 781 -13.323 31.426 22.925 1.00 0.00 H new ATOM 0 HG2 GLN A 781 -14.420 34.071 22.005 1.00 0.00 H new ATOM 0 HG3 GLN A 781 -13.402 33.143 20.921 1.00 0.00 H new ATOM 0 HE21 GLN A 781 -15.240 32.978 19.523 1.00 0.00 H new ATOM 0 HE22 GLN A 781 -16.502 31.784 19.847 1.00 0.00 H new ATOM 114 N LEU A 782 -14.749 30.776 24.802 1.00 0.00 N ATOM 115 CA LEU A 782 -14.873 29.535 25.548 1.00 0.00 C ATOM 116 C LEU A 782 -13.843 28.536 25.045 1.00 0.00 C ATOM 117 O LEU A 782 -14.113 27.772 24.114 1.00 0.00 O ATOM 118 CB LEU A 782 -16.278 28.952 25.410 1.00 0.00 C ATOM 119 CG LEU A 782 -16.559 27.754 26.312 1.00 0.00 C ATOM 120 CD1 LEU A 782 -16.784 28.214 27.744 1.00 0.00 C ATOM 121 CD2 LEU A 782 -17.759 26.972 25.803 1.00 0.00 C ATOM 0 H LEU A 782 -15.280 30.801 23.931 1.00 0.00 H new ATOM 0 HA LEU A 782 -14.696 29.744 26.603 1.00 0.00 H new ATOM 0 HB2 LEU A 782 -17.005 29.734 25.629 1.00 0.00 H new ATOM 0 HB3 LEU A 782 -16.433 28.654 24.373 1.00 0.00 H new ATOM 0 HG LEU A 782 -15.692 27.094 26.294 1.00 0.00 H new ATOM 0 HD11 LEU A 782 -16.983 27.349 28.377 1.00 0.00 H new ATOM 0 HD12 LEU A 782 -15.894 28.730 28.104 1.00 0.00 H new ATOM 0 HD13 LEU A 782 -17.636 28.893 27.778 1.00 0.00 H new ATOM 0 HD21 LEU A 782 -17.944 26.121 26.459 1.00 0.00 H new ATOM 0 HD22 LEU A 782 -18.636 27.619 25.791 1.00 0.00 H new ATOM 0 HD23 LEU A 782 -17.558 26.614 24.793 1.00 0.00 H new ATOM 133 N ILE A 783 -12.675 28.538 25.680 1.00 0.00 N ATOM 134 CA ILE A 783 -11.527 27.769 25.215 1.00 0.00 C ATOM 135 C ILE A 783 -11.136 28.204 23.803 1.00 0.00 C ATOM 136 O ILE A 783 -10.297 29.092 23.631 1.00 0.00 O ATOM 137 CB ILE A 783 -11.803 26.248 25.248 1.00 0.00 C ATOM 138 CG1 ILE A 783 -12.355 25.840 26.621 1.00 0.00 C ATOM 139 CG2 ILE A 783 -10.539 25.462 24.917 1.00 0.00 C ATOM 140 CD1 ILE A 783 -11.307 25.766 27.715 1.00 0.00 C ATOM 0 H ILE A 783 -12.498 29.072 26.531 1.00 0.00 H new ATOM 0 HA ILE A 783 -10.699 27.969 25.895 1.00 0.00 H new ATOM 0 HB ILE A 783 -12.551 26.014 24.490 1.00 0.00 H new ATOM 0 HG12 ILE A 783 -13.124 26.553 26.918 1.00 0.00 H new ATOM 0 HG13 ILE A 783 -12.840 24.868 26.531 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -10.756 24.394 24.946 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -10.192 25.735 23.920 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -9.764 25.694 25.648 1.00 0.00 H new ATOM 0 HD11 ILE A 783 -11.779 25.471 28.652 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -10.549 25.031 27.444 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -10.838 26.742 27.836 1.00 0.00 H new ATOM 152 N GLU A 784 -11.789 27.607 22.809 1.00 0.00 N ATOM 153 CA GLU A 784 -11.535 27.900 21.400 1.00 0.00 C ATOM 154 C GLU A 784 -12.369 26.985 20.509 1.00 0.00 C ATOM 155 O GLU A 784 -12.709 27.343 19.383 1.00 0.00 O ATOM 156 CB GLU A 784 -10.047 27.744 21.049 1.00 0.00 C ATOM 157 CG GLU A 784 -9.453 26.397 21.429 1.00 0.00 C ATOM 158 CD GLU A 784 -7.980 26.299 21.089 1.00 0.00 C ATOM 159 OE1 GLU A 784 -7.154 26.856 21.842 1.00 0.00 O ATOM 160 OE2 GLU A 784 -7.641 25.666 20.067 1.00 0.00 O ATOM 0 H GLU A 784 -12.512 26.903 22.958 1.00 0.00 H new ATOM 0 HA GLU A 784 -11.820 28.938 21.226 1.00 0.00 H new ATOM 0 HB2 GLU A 784 -9.921 27.894 19.977 1.00 0.00 H new ATOM 0 HB3 GLU A 784 -9.483 28.531 21.550 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -9.588 26.232 22.498 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -9.996 25.605 20.913 1.00 0.00 H new ATOM 167 N VAL A 785 -12.714 25.811 21.033 1.00 0.00 N ATOM 168 CA VAL A 785 -13.435 24.806 20.281 1.00 0.00 C ATOM 169 C VAL A 785 -14.217 23.928 21.235 1.00 0.00 C ATOM 170 O VAL A 785 -13.655 23.322 22.146 1.00 0.00 O ATOM 171 CB VAL A 785 -12.508 23.903 19.429 1.00 0.00 C ATOM 172 CG1 VAL A 785 -12.265 24.506 18.053 1.00 0.00 C ATOM 173 CG2 VAL A 785 -11.190 23.636 20.144 1.00 0.00 C ATOM 0 H VAL A 785 -12.498 25.537 21.991 1.00 0.00 H new ATOM 0 HA VAL A 785 -14.096 25.340 19.598 1.00 0.00 H new ATOM 0 HB VAL A 785 -13.015 22.948 19.292 1.00 0.00 H new ATOM 0 HG11 VAL A 785 -11.611 23.850 17.479 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -13.216 24.618 17.532 1.00 0.00 H new ATOM 0 HG13 VAL A 785 -11.794 25.483 18.162 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -10.561 23.000 19.522 1.00 0.00 H new ATOM 0 HG22 VAL A 785 -10.679 24.581 20.330 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -11.385 23.136 21.093 1.00 0.00 H new ATOM 183 N GLN A 786 -15.516 23.909 21.048 1.00 0.00 N ATOM 184 CA GLN A 786 -16.384 23.014 21.790 1.00 0.00 C ATOM 185 C GLN A 786 -16.025 21.571 21.458 1.00 0.00 C ATOM 186 O GLN A 786 -15.804 20.753 22.349 1.00 0.00 O ATOM 187 CB GLN A 786 -17.851 23.279 21.448 1.00 0.00 C ATOM 188 CG GLN A 786 -18.546 24.220 22.416 1.00 0.00 C ATOM 189 CD GLN A 786 -19.257 23.483 23.535 1.00 0.00 C ATOM 190 OE1 GLN A 786 -18.885 23.598 24.701 1.00 0.00 O ATOM 191 NE2 GLN A 786 -20.283 22.722 23.189 1.00 0.00 N ATOM 0 H GLN A 786 -16.003 24.509 20.382 1.00 0.00 H new ATOM 0 HA GLN A 786 -16.244 23.190 22.857 1.00 0.00 H new ATOM 0 HB2 GLN A 786 -17.910 23.698 20.443 1.00 0.00 H new ATOM 0 HB3 GLN A 786 -18.387 22.330 21.430 1.00 0.00 H new ATOM 0 HG2 GLN A 786 -17.812 24.902 22.844 1.00 0.00 H new ATOM 0 HG3 GLN A 786 -19.267 24.829 21.871 1.00 0.00 H new ATOM 0 HE21 GLN A 786 -20.560 22.654 22.210 1.00 0.00 H new ATOM 0 HE22 GLN A 786 -20.797 22.204 23.902 1.00 0.00 H new ATOM 200 N LEU A 787 -15.969 21.277 20.162 1.00 0.00 N ATOM 201 CA LEU A 787 -15.541 19.970 19.679 1.00 0.00 C ATOM 202 C LEU A 787 -15.357 20.003 18.165 1.00 0.00 C ATOM 203 O LEU A 787 -15.510 18.990 17.485 1.00 0.00 O ATOM 204 CB LEU A 787 -16.552 18.879 20.062 1.00 0.00 C ATOM 205 CG LEU A 787 -15.942 17.507 20.371 1.00 0.00 C ATOM 206 CD1 LEU A 787 -15.684 17.358 21.865 1.00 0.00 C ATOM 207 CD2 LEU A 787 -16.851 16.392 19.875 1.00 0.00 C ATOM 0 H LEU A 787 -16.217 21.934 19.422 1.00 0.00 H new ATOM 0 HA LEU A 787 -14.588 19.732 20.151 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -17.113 19.215 20.934 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -17.267 18.766 19.247 1.00 0.00 H new ATOM 0 HG LEU A 787 -14.989 17.433 19.848 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -15.251 16.378 22.063 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -14.992 18.133 22.194 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -16.624 17.456 22.408 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -16.400 15.426 20.104 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -17.820 16.466 20.368 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -16.985 16.484 18.797 1.00 0.00 H new ATOM 219 N ALA A 788 -15.010 21.175 17.643 1.00 0.00 N ATOM 220 CA ALA A 788 -14.830 21.352 16.204 1.00 0.00 C ATOM 221 C ALA A 788 -13.434 20.932 15.761 1.00 0.00 C ATOM 222 O ALA A 788 -12.817 21.579 14.913 1.00 0.00 O ATOM 223 CB ALA A 788 -15.090 22.799 15.817 1.00 0.00 C ATOM 0 H ALA A 788 -14.847 22.018 18.194 1.00 0.00 H new ATOM 0 HA ALA A 788 -15.549 20.710 15.696 1.00 0.00 H new ATOM 0 HB1 ALA A 788 -14.953 22.918 14.742 1.00 0.00 H new ATOM 0 HB2 ALA A 788 -16.111 23.069 16.085 1.00 0.00 H new ATOM 0 HB3 ALA A 788 -14.392 23.448 16.346 1.00 0.00 H new ATOM 229 N GLN A 789 -12.940 19.845 16.330 1.00 0.00 N ATOM 230 CA GLN A 789 -11.611 19.355 16.008 1.00 0.00 C ATOM 231 C GLN A 789 -11.625 17.839 15.879 1.00 0.00 C ATOM 232 O GLN A 789 -11.986 17.133 16.823 1.00 0.00 O ATOM 233 CB GLN A 789 -10.596 19.792 17.069 1.00 0.00 C ATOM 234 CG GLN A 789 -10.011 21.172 16.813 1.00 0.00 C ATOM 235 CD GLN A 789 -8.646 21.359 17.443 1.00 0.00 C ATOM 236 OE1 GLN A 789 -8.599 22.106 18.535 1.00 0.00 O flip ATOM 237 NE2 GLN A 789 -7.643 20.846 16.951 1.00 0.00 N flip ATOM 0 H GLN A 789 -13.441 19.284 17.019 1.00 0.00 H new ATOM 0 HA GLN A 789 -11.310 19.785 15.053 1.00 0.00 H new ATOM 0 HB2 GLN A 789 -11.078 19.785 18.047 1.00 0.00 H new ATOM 0 HB3 GLN A 789 -9.786 19.064 17.108 1.00 0.00 H new ATOM 0 HG2 GLN A 789 -9.935 21.335 15.738 1.00 0.00 H new ATOM 0 HG3 GLN A 789 -10.692 21.928 17.203 1.00 0.00 H new ATOM 0 HE21 GLN A 789 -7.722 20.277 16.108 1.00 0.00 H new ATOM 0 HE22 GLN A 789 -6.731 20.989 17.386 1.00 0.00 H new ATOM 246 N GLU A 790 -11.233 17.363 14.700 1.00 0.00 N ATOM 247 CA GLU A 790 -11.171 15.947 14.392 1.00 0.00 C ATOM 248 C GLU A 790 -12.551 15.285 14.472 1.00 0.00 C ATOM 249 O GLU A 790 -13.534 15.832 13.965 1.00 0.00 O ATOM 250 CB GLU A 790 -10.179 15.267 15.322 1.00 0.00 C ATOM 251 CG GLU A 790 -9.280 14.268 14.620 1.00 0.00 C ATOM 252 CD GLU A 790 -8.515 14.896 13.474 1.00 0.00 C ATOM 253 OE1 GLU A 790 -7.445 15.490 13.723 1.00 0.00 O ATOM 254 OE2 GLU A 790 -8.984 14.818 12.319 1.00 0.00 O ATOM 0 H GLU A 790 -10.947 17.962 13.926 1.00 0.00 H new ATOM 0 HA GLU A 790 -10.830 15.833 13.363 1.00 0.00 H new ATOM 0 HB2 GLU A 790 -9.561 16.027 15.800 1.00 0.00 H new ATOM 0 HB3 GLU A 790 -10.727 14.757 16.115 1.00 0.00 H new ATOM 0 HG2 GLU A 790 -8.576 13.848 15.338 1.00 0.00 H new ATOM 0 HG3 GLU A 790 -9.882 13.441 14.243 1.00 0.00 H new ATOM 261 N GLU A 791 -12.604 14.111 15.107 1.00 0.00 N ATOM 262 CA GLU A 791 -13.822 13.303 15.187 1.00 0.00 C ATOM 263 C GLU A 791 -14.274 12.863 13.796 1.00 0.00 C ATOM 264 O GLU A 791 -15.076 13.535 13.143 1.00 0.00 O ATOM 265 CB GLU A 791 -14.951 14.061 15.896 1.00 0.00 C ATOM 266 CG GLU A 791 -15.734 13.208 16.883 1.00 0.00 C ATOM 267 CD GLU A 791 -16.545 12.112 16.212 1.00 0.00 C ATOM 268 OE1 GLU A 791 -17.273 12.407 15.242 1.00 0.00 O ATOM 269 OE2 GLU A 791 -16.465 10.950 16.660 1.00 0.00 O ATOM 0 H GLU A 791 -11.802 13.694 15.580 1.00 0.00 H new ATOM 0 HA GLU A 791 -13.588 12.416 15.776 1.00 0.00 H new ATOM 0 HB2 GLU A 791 -14.528 14.915 16.424 1.00 0.00 H new ATOM 0 HB3 GLU A 791 -15.637 14.457 15.147 1.00 0.00 H new ATOM 0 HG2 GLU A 791 -15.041 12.756 17.593 1.00 0.00 H new ATOM 0 HG3 GLU A 791 -16.404 13.849 17.456 1.00 0.00 H new ATOM 276 N VAL A 792 -13.756 11.728 13.349 1.00 0.00 N ATOM 277 CA VAL A 792 -14.094 11.197 12.035 1.00 0.00 C ATOM 278 C VAL A 792 -14.380 9.706 12.110 1.00 0.00 C ATOM 279 O VAL A 792 -13.637 8.953 12.739 1.00 0.00 O ATOM 280 CB VAL A 792 -12.975 11.434 10.999 1.00 0.00 C ATOM 281 CG1 VAL A 792 -13.332 12.602 10.097 1.00 0.00 C ATOM 282 CG2 VAL A 792 -11.630 11.664 11.676 1.00 0.00 C ATOM 0 H VAL A 792 -13.098 11.155 13.878 1.00 0.00 H new ATOM 0 HA VAL A 792 -14.986 11.734 11.710 1.00 0.00 H new ATOM 0 HB VAL A 792 -12.885 10.536 10.388 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -12.534 12.758 9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -14.263 12.385 9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -13.456 13.502 10.699 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -10.864 11.828 10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -11.693 12.539 12.323 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -11.369 10.790 12.273 1.00 0.00 H new ATOM 292 N THR A 793 -15.462 9.290 11.475 1.00 0.00 N ATOM 293 CA THR A 793 -15.835 7.889 11.429 1.00 0.00 C ATOM 294 C THR A 793 -15.471 7.274 10.078 1.00 0.00 C ATOM 295 O THR A 793 -16.103 7.563 9.057 1.00 0.00 O ATOM 296 CB THR A 793 -17.336 7.718 11.693 1.00 0.00 C ATOM 297 OG1 THR A 793 -17.790 8.745 12.589 1.00 0.00 O ATOM 298 CG2 THR A 793 -17.637 6.349 12.287 1.00 0.00 C ATOM 0 H THR A 793 -16.103 9.910 10.980 1.00 0.00 H new ATOM 0 HA THR A 793 -15.280 7.370 12.210 1.00 0.00 H new ATOM 0 HB THR A 793 -17.862 7.800 10.742 1.00 0.00 H new ATOM 0 HG1 THR A 793 -18.750 8.634 12.754 1.00 0.00 H new ATOM 0 HG21 THR A 793 -18.709 6.257 12.463 1.00 0.00 H new ATOM 0 HG22 THR A 793 -17.315 5.573 11.593 1.00 0.00 H new ATOM 0 HG23 THR A 793 -17.103 6.236 13.230 1.00 0.00 H new ATOM 306 N GLU A 794 -14.438 6.444 10.083 1.00 0.00 N ATOM 307 CA GLU A 794 -13.948 5.794 8.874 1.00 0.00 C ATOM 308 C GLU A 794 -13.387 4.418 9.235 1.00 0.00 C ATOM 309 O GLU A 794 -13.214 4.110 10.414 1.00 0.00 O ATOM 310 CB GLU A 794 -12.874 6.674 8.209 1.00 0.00 C ATOM 311 CG GLU A 794 -12.315 6.133 6.896 1.00 0.00 C ATOM 312 CD GLU A 794 -13.384 5.801 5.872 1.00 0.00 C ATOM 313 OE1 GLU A 794 -13.773 6.701 5.099 1.00 0.00 O ATOM 314 OE2 GLU A 794 -13.828 4.630 5.829 1.00 0.00 O ATOM 0 H GLU A 794 -13.915 6.202 10.925 1.00 0.00 H new ATOM 0 HA GLU A 794 -14.764 5.662 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 794 -13.298 7.661 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 794 -12.050 6.806 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 794 -11.632 6.869 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 794 -11.730 5.237 7.102 1.00 0.00 H new ATOM 321 N SER A 795 -13.138 3.594 8.226 1.00 0.00 N ATOM 322 CA SER A 795 -12.593 2.260 8.422 1.00 0.00 C ATOM 323 C SER A 795 -11.176 2.325 8.992 1.00 0.00 C ATOM 324 O SER A 795 -10.256 2.826 8.340 1.00 0.00 O ATOM 325 CB SER A 795 -12.588 1.504 7.090 1.00 0.00 C ATOM 326 OG SER A 795 -13.601 1.990 6.222 1.00 0.00 O ATOM 0 H SER A 795 -13.309 3.833 7.249 1.00 0.00 H new ATOM 0 HA SER A 795 -13.223 1.732 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 795 -11.614 1.610 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 795 -12.740 0.440 7.272 1.00 0.00 H new ATOM 0 HG SER A 795 -13.336 2.864 5.867 1.00 0.00 H new ATOM 332 N PRO A 796 -10.983 1.815 10.220 1.00 0.00 N ATOM 333 CA PRO A 796 -9.674 1.815 10.877 1.00 0.00 C ATOM 334 C PRO A 796 -8.715 0.814 10.239 1.00 0.00 C ATOM 335 O PRO A 796 -7.516 0.825 10.514 1.00 0.00 O ATOM 336 CB PRO A 796 -9.997 1.408 12.314 1.00 0.00 C ATOM 337 CG PRO A 796 -11.252 0.614 12.210 1.00 0.00 C ATOM 338 CD PRO A 796 -12.028 1.214 11.069 1.00 0.00 C ATOM 0 HA PRO A 796 -9.175 2.781 10.800 1.00 0.00 H new ATOM 0 HB2 PRO A 796 -9.190 0.818 12.749 1.00 0.00 H new ATOM 0 HB3 PRO A 796 -10.133 2.281 12.952 1.00 0.00 H new ATOM 0 HG2 PRO A 796 -11.034 -0.438 12.024 1.00 0.00 H new ATOM 0 HG3 PRO A 796 -11.822 0.662 13.138 1.00 0.00 H new ATOM 0 HD2 PRO A 796 -12.598 0.457 10.529 1.00 0.00 H new ATOM 0 HD3 PRO A 796 -12.741 1.961 11.418 1.00 0.00 H new ATOM 346 N LEU A 797 -9.266 -0.053 9.401 1.00 0.00 N ATOM 347 CA LEU A 797 -8.493 -1.030 8.650 1.00 0.00 C ATOM 348 C LEU A 797 -9.334 -1.542 7.488 1.00 0.00 C ATOM 349 O LEU A 797 -8.924 -1.489 6.334 1.00 0.00 O ATOM 350 CB LEU A 797 -8.050 -2.201 9.541 1.00 0.00 C ATOM 351 CG LEU A 797 -9.079 -2.679 10.567 1.00 0.00 C ATOM 352 CD1 LEU A 797 -9.488 -4.114 10.285 1.00 0.00 C ATOM 353 CD2 LEU A 797 -8.523 -2.553 11.976 1.00 0.00 C ATOM 0 H LEU A 797 -10.269 -0.098 9.223 1.00 0.00 H new ATOM 0 HA LEU A 797 -7.592 -0.547 8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 797 -7.786 -3.042 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 797 -7.144 -1.908 10.072 1.00 0.00 H new ATOM 0 HG LEU A 797 -9.963 -2.047 10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 797 -10.220 -4.436 11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 797 -9.926 -4.178 9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 797 -8.611 -4.759 10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 797 -9.268 -2.897 12.693 1.00 0.00 H new ATOM 0 HD22 LEU A 797 -7.623 -3.161 12.068 1.00 0.00 H new ATOM 0 HD23 LEU A 797 -8.279 -1.510 12.179 1.00 0.00 H new ATOM 365 N GLY A 798 -10.529 -2.014 7.811 1.00 0.00 N ATOM 366 CA GLY A 798 -11.437 -2.483 6.792 1.00 0.00 C ATOM 367 C GLY A 798 -12.148 -3.751 7.203 1.00 0.00 C ATOM 368 O GLY A 798 -13.367 -3.765 7.359 1.00 0.00 O ATOM 0 H GLY A 798 -10.884 -2.080 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 798 -12.173 -1.708 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 798 -10.885 -2.661 5.869 1.00 0.00 H new ATOM 372 N GLY A 799 -11.383 -4.813 7.398 1.00 0.00 N ATOM 373 CA GLY A 799 -11.964 -6.104 7.710 1.00 0.00 C ATOM 374 C GLY A 799 -12.167 -6.916 6.451 1.00 0.00 C ATOM 375 O GLY A 799 -12.474 -8.106 6.498 1.00 0.00 O ATOM 0 H GLY A 799 -10.364 -4.805 7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -11.313 -6.645 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -12.919 -5.966 8.218 1.00 0.00 H new ATOM 379 N ASP A 800 -11.973 -6.251 5.322 1.00 0.00 N ATOM 380 CA ASP A 800 -12.160 -6.847 4.010 1.00 0.00 C ATOM 381 C ASP A 800 -11.042 -6.400 3.080 1.00 0.00 C ATOM 382 O ASP A 800 -11.188 -6.430 1.859 1.00 0.00 O ATOM 383 CB ASP A 800 -13.522 -6.431 3.433 1.00 0.00 C ATOM 384 CG ASP A 800 -13.543 -4.995 2.920 1.00 0.00 C ATOM 385 OD1 ASP A 800 -12.920 -4.109 3.547 1.00 0.00 O ATOM 386 OD2 ASP A 800 -14.196 -4.744 1.883 1.00 0.00 O ATOM 0 H ASP A 800 -11.679 -5.275 5.292 1.00 0.00 H new ATOM 0 HA ASP A 800 -12.135 -7.933 4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -13.785 -7.105 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -14.286 -6.547 4.202 1.00 0.00 H new ATOM 391 N GLU A 801 -9.912 -6.027 3.677 1.00 0.00 N ATOM 392 CA GLU A 801 -8.815 -5.369 2.967 1.00 0.00 C ATOM 393 C GLU A 801 -8.447 -6.062 1.659 1.00 0.00 C ATOM 394 O GLU A 801 -8.389 -5.419 0.617 1.00 0.00 O ATOM 395 CB GLU A 801 -7.576 -5.300 3.858 1.00 0.00 C ATOM 396 CG GLU A 801 -7.693 -4.300 4.993 1.00 0.00 C ATOM 397 CD GLU A 801 -8.047 -4.969 6.299 1.00 0.00 C ATOM 398 OE1 GLU A 801 -9.084 -5.663 6.344 1.00 0.00 O ATOM 399 OE2 GLU A 801 -7.283 -4.832 7.273 1.00 0.00 O ATOM 0 H GLU A 801 -9.730 -6.173 4.670 1.00 0.00 H new ATOM 0 HA GLU A 801 -9.168 -4.367 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -7.385 -6.289 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -6.713 -5.040 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -6.750 -3.764 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -8.454 -3.559 4.747 1.00 0.00 H new ATOM 406 N ASN A 802 -8.214 -7.367 1.707 1.00 0.00 N ATOM 407 CA ASN A 802 -7.743 -8.092 0.529 1.00 0.00 C ATOM 408 C ASN A 802 -8.798 -8.108 -0.583 1.00 0.00 C ATOM 409 O ASN A 802 -8.472 -7.929 -1.755 1.00 0.00 O ATOM 410 CB ASN A 802 -7.302 -9.517 0.906 1.00 0.00 C ATOM 411 CG ASN A 802 -8.433 -10.528 0.888 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.357 -10.464 1.704 1.00 0.00 O ATOM 413 ND2 ASN A 802 -8.362 -11.472 -0.034 1.00 0.00 N ATOM 0 H ASN A 802 -8.341 -7.943 2.539 1.00 0.00 H new ATOM 0 HA ASN A 802 -6.874 -7.563 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -6.524 -9.842 0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -6.857 -9.499 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -9.089 -12.185 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -7.580 -11.487 -0.689 1.00 0.00 H new ATOM 420 N ALA A 803 -10.062 -8.283 -0.216 1.00 0.00 N ATOM 421 CA ALA A 803 -11.139 -8.301 -1.199 1.00 0.00 C ATOM 422 C ALA A 803 -11.423 -6.890 -1.697 1.00 0.00 C ATOM 423 O ALA A 803 -11.672 -6.668 -2.881 1.00 0.00 O ATOM 424 CB ALA A 803 -12.393 -8.920 -0.604 1.00 0.00 C ATOM 0 H ALA A 803 -10.365 -8.414 0.749 1.00 0.00 H new ATOM 0 HA ALA A 803 -10.826 -8.911 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.186 -8.925 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.181 -9.943 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.712 -8.337 0.260 1.00 0.00 H new ATOM 430 N GLN A 804 -11.365 -5.938 -0.779 1.00 0.00 N ATOM 431 CA GLN A 804 -11.563 -4.537 -1.110 1.00 0.00 C ATOM 432 C GLN A 804 -10.464 -4.057 -2.049 1.00 0.00 C ATOM 433 O GLN A 804 -10.738 -3.426 -3.066 1.00 0.00 O ATOM 434 CB GLN A 804 -11.576 -3.696 0.169 1.00 0.00 C ATOM 435 CG GLN A 804 -11.611 -2.198 -0.068 1.00 0.00 C ATOM 436 CD GLN A 804 -10.791 -1.434 0.952 1.00 0.00 C ATOM 437 OE1 GLN A 804 -10.070 -0.498 0.605 1.00 0.00 O ATOM 438 NE2 GLN A 804 -10.891 -1.828 2.215 1.00 0.00 N ATOM 0 H GLN A 804 -11.181 -6.113 0.209 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.522 -4.424 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -12.443 -3.978 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -10.691 -3.938 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -11.235 -1.982 -1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -12.644 -1.851 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -11.501 -2.609 2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -10.358 -1.350 2.942 1.00 0.00 H new ATOM 447 N LEU A 805 -9.224 -4.387 -1.709 1.00 0.00 N ATOM 448 CA LEU A 805 -8.072 -4.003 -2.513 1.00 0.00 C ATOM 449 C LEU A 805 -8.097 -4.723 -3.861 1.00 0.00 C ATOM 450 O LEU A 805 -7.597 -4.211 -4.868 1.00 0.00 O ATOM 451 CB LEU A 805 -6.778 -4.298 -1.741 1.00 0.00 C ATOM 452 CG LEU A 805 -5.688 -5.041 -2.503 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.397 -4.243 -2.472 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.471 -6.425 -1.913 1.00 0.00 C ATOM 0 H LEU A 805 -8.990 -4.924 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 805 -8.113 -2.932 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.366 -3.352 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.034 -4.881 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.005 -5.158 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.623 -4.782 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.559 -3.270 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.080 -4.103 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.689 -6.940 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.171 -6.333 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.397 -6.996 -1.975 1.00 0.00 H new ATOM 466 N HIS A 806 -8.690 -5.910 -3.877 1.00 0.00 N ATOM 467 CA HIS A 806 -8.870 -6.657 -5.113 1.00 0.00 C ATOM 468 C HIS A 806 -9.848 -5.936 -6.037 1.00 0.00 C ATOM 469 O HIS A 806 -9.644 -5.881 -7.249 1.00 0.00 O ATOM 470 CB HIS A 806 -9.374 -8.072 -4.818 1.00 0.00 C ATOM 471 CG HIS A 806 -9.023 -9.064 -5.882 1.00 0.00 C ATOM 472 ND1 HIS A 806 -9.590 -10.316 -5.963 1.00 0.00 N ATOM 473 CD2 HIS A 806 -8.154 -8.980 -6.914 1.00 0.00 C ATOM 474 CE1 HIS A 806 -9.083 -10.959 -6.996 1.00 0.00 C ATOM 475 NE2 HIS A 806 -8.211 -10.169 -7.592 1.00 0.00 N ATOM 0 H HIS A 806 -9.055 -6.376 -3.046 1.00 0.00 H new ATOM 0 HA HIS A 806 -7.903 -6.727 -5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -8.957 -8.407 -3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -10.457 -8.046 -4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -7.530 -8.133 -7.159 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -9.338 -11.963 -7.302 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -7.668 -10.405 -8.422 1.00 0.00 H new ATOM 484 N ALA A 807 -10.899 -5.376 -5.454 1.00 0.00 N ATOM 485 CA ALA A 807 -11.931 -4.693 -6.223 1.00 0.00 C ATOM 486 C ALA A 807 -11.522 -3.266 -6.583 1.00 0.00 C ATOM 487 O ALA A 807 -11.834 -2.781 -7.673 1.00 0.00 O ATOM 488 CB ALA A 807 -13.242 -4.691 -5.453 1.00 0.00 C ATOM 0 H ALA A 807 -11.060 -5.381 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.064 -5.239 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.006 -4.178 -6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.556 -5.718 -5.267 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -13.105 -4.176 -4.502 1.00 0.00 H new ATOM 494 N SER A 808 -10.823 -2.596 -5.671 1.00 0.00 N ATOM 495 CA SER A 808 -10.403 -1.214 -5.887 1.00 0.00 C ATOM 496 C SER A 808 -9.411 -1.118 -7.042 1.00 0.00 C ATOM 497 O SER A 808 -9.292 -0.079 -7.693 1.00 0.00 O ATOM 498 CB SER A 808 -9.774 -0.640 -4.612 1.00 0.00 C ATOM 499 OG SER A 808 -8.752 -1.489 -4.116 1.00 0.00 O ATOM 0 H SER A 808 -10.535 -2.988 -4.774 1.00 0.00 H new ATOM 0 HA SER A 808 -11.288 -0.631 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 808 -9.361 0.347 -4.820 1.00 0.00 H new ATOM 0 HB3 SER A 808 -10.543 -0.510 -3.851 1.00 0.00 H new ATOM 0 HG SER A 808 -8.173 -0.983 -3.508 1.00 0.00 H new ATOM 505 N GLY A 809 -8.700 -2.210 -7.293 1.00 0.00 N ATOM 506 CA GLY A 809 -7.723 -2.228 -8.362 1.00 0.00 C ATOM 507 C GLY A 809 -6.324 -1.987 -7.842 1.00 0.00 C ATOM 508 O GLY A 809 -5.376 -1.833 -8.614 1.00 0.00 O ATOM 0 H GLY A 809 -8.783 -3.084 -6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -7.761 -3.190 -8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -7.975 -1.465 -9.098 1.00 0.00 H new ATOM 512 N TYR A 810 -6.194 -1.958 -6.524 1.00 0.00 N ATOM 513 CA TYR A 810 -4.900 -1.755 -5.890 1.00 0.00 C ATOM 514 C TYR A 810 -4.152 -3.075 -5.784 1.00 0.00 C ATOM 515 O TYR A 810 -2.968 -3.110 -5.448 1.00 0.00 O ATOM 516 CB TYR A 810 -5.075 -1.132 -4.506 1.00 0.00 C ATOM 517 CG TYR A 810 -5.186 0.379 -4.536 1.00 0.00 C ATOM 518 CD1 TYR A 810 -5.598 1.040 -5.687 1.00 0.00 C ATOM 519 CD2 TYR A 810 -4.867 1.146 -3.421 1.00 0.00 C ATOM 520 CE1 TYR A 810 -5.688 2.415 -5.727 1.00 0.00 C ATOM 521 CE2 TYR A 810 -4.959 2.524 -3.454 1.00 0.00 C ATOM 522 CZ TYR A 810 -5.369 3.153 -4.610 1.00 0.00 C ATOM 523 OH TYR A 810 -5.450 4.526 -4.658 1.00 0.00 O ATOM 0 H TYR A 810 -6.970 -2.073 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.316 -1.071 -6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.969 -1.545 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.229 -1.414 -3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -5.852 0.466 -6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -4.542 0.657 -2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -6.008 2.911 -6.631 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -4.711 3.106 -2.578 1.00 0.00 H new ATOM 0 HH TYR A 810 -5.193 4.899 -3.789 1.00 0.00 H new ATOM 533 N TYR A 811 -4.861 -4.155 -6.086 1.00 0.00 N ATOM 534 CA TYR A 811 -4.293 -5.498 -6.078 1.00 0.00 C ATOM 535 C TYR A 811 -3.072 -5.578 -6.989 1.00 0.00 C ATOM 536 O TYR A 811 -2.077 -6.220 -6.652 1.00 0.00 O ATOM 537 CB TYR A 811 -5.349 -6.504 -6.537 1.00 0.00 C ATOM 538 CG TYR A 811 -5.064 -7.935 -6.138 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.200 -8.352 -4.821 1.00 0.00 C ATOM 540 CD2 TYR A 811 -4.681 -8.877 -7.086 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.961 -9.664 -4.459 1.00 0.00 C ATOM 542 CE2 TYR A 811 -4.439 -10.188 -6.729 1.00 0.00 C ATOM 543 CZ TYR A 811 -4.581 -10.576 -5.417 1.00 0.00 C ATOM 544 OH TYR A 811 -4.347 -11.883 -5.066 1.00 0.00 O ATOM 0 H TYR A 811 -5.847 -4.125 -6.344 1.00 0.00 H new ATOM 0 HA TYR A 811 -3.978 -5.735 -5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.315 -6.211 -6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.435 -6.452 -7.622 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -5.498 -7.639 -4.066 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -4.571 -8.578 -8.118 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -5.072 -9.972 -3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -4.139 -10.907 -7.477 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.146 -12.254 -4.637 1.00 0.00 H new ATOM 554 N ALA A 812 -3.154 -4.910 -8.138 1.00 0.00 N ATOM 555 CA ALA A 812 -2.061 -4.892 -9.102 1.00 0.00 C ATOM 556 C ALA A 812 -0.799 -4.299 -8.492 1.00 0.00 C ATOM 557 O ALA A 812 0.310 -4.750 -8.775 1.00 0.00 O ATOM 558 CB ALA A 812 -2.461 -4.114 -10.346 1.00 0.00 C ATOM 0 H ALA A 812 -3.972 -4.372 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 812 -1.848 -5.923 -9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.633 -4.111 -11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.330 -4.584 -10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.707 -3.088 -10.070 1.00 0.00 H new ATOM 564 N LEU A 813 -0.971 -3.291 -7.643 1.00 0.00 N ATOM 565 CA LEU A 813 0.163 -2.662 -6.979 1.00 0.00 C ATOM 566 C LEU A 813 0.634 -3.540 -5.830 1.00 0.00 C ATOM 567 O LEU A 813 1.834 -3.689 -5.595 1.00 0.00 O ATOM 568 CB LEU A 813 -0.218 -1.275 -6.457 1.00 0.00 C ATOM 569 CG LEU A 813 -1.234 -0.512 -7.310 1.00 0.00 C ATOM 570 CD1 LEU A 813 -1.800 0.671 -6.535 1.00 0.00 C ATOM 571 CD2 LEU A 813 -0.598 -0.044 -8.613 1.00 0.00 C ATOM 0 H LEU A 813 -1.879 -2.895 -7.400 1.00 0.00 H new ATOM 0 HA LEU A 813 0.971 -2.546 -7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -0.621 -1.382 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.688 -0.674 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 813 -2.054 -1.188 -7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -2.521 1.202 -7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -2.295 0.312 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -0.990 1.347 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -1.337 0.496 -9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 813 0.242 0.615 -8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -0.243 -0.908 -9.176 1.00 0.00 H new ATOM 583 N PHE A 814 -0.332 -4.130 -5.141 1.00 0.00 N ATOM 584 CA PHE A 814 -0.076 -5.015 -4.011 1.00 0.00 C ATOM 585 C PHE A 814 0.829 -6.180 -4.409 1.00 0.00 C ATOM 586 O PHE A 814 1.827 -6.458 -3.746 1.00 0.00 O ATOM 587 CB PHE A 814 -1.411 -5.543 -3.478 1.00 0.00 C ATOM 588 CG PHE A 814 -1.300 -6.466 -2.298 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.593 -6.094 -1.168 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.922 -7.704 -2.319 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.506 -6.940 -0.079 1.00 0.00 C ATOM 592 CE2 PHE A 814 -1.841 -8.553 -1.233 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.131 -8.170 -0.112 1.00 0.00 C ATOM 0 H PHE A 814 -1.323 -4.008 -5.351 1.00 0.00 H new ATOM 0 HA PHE A 814 0.438 -4.450 -3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.036 -4.694 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.926 -6.067 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.104 -5.132 -1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.476 -8.008 -3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.050 -6.639 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.332 -9.515 -1.260 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.065 -8.833 0.738 1.00 0.00 H new ATOM 603 N VAL A 815 0.485 -6.844 -5.507 1.00 0.00 N ATOM 604 CA VAL A 815 1.231 -8.015 -5.958 1.00 0.00 C ATOM 605 C VAL A 815 2.523 -7.623 -6.668 1.00 0.00 C ATOM 606 O VAL A 815 3.316 -8.484 -7.048 1.00 0.00 O ATOM 607 CB VAL A 815 0.390 -8.905 -6.896 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.894 -9.341 -6.212 1.00 0.00 C ATOM 609 CG2 VAL A 815 0.086 -8.191 -8.207 1.00 0.00 C ATOM 0 H VAL A 815 -0.305 -6.592 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 815 1.477 -8.581 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 815 0.976 -9.794 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.473 -9.968 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.653 -9.907 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.479 -8.462 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.508 -8.843 -8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.472 -7.277 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 815 1.020 -7.941 -8.710 1.00 0.00 H new ATOM 619 N ASP A 816 2.732 -6.328 -6.841 1.00 0.00 N ATOM 620 CA ASP A 816 3.929 -5.840 -7.506 1.00 0.00 C ATOM 621 C ASP A 816 4.981 -5.430 -6.486 1.00 0.00 C ATOM 622 O ASP A 816 6.137 -5.851 -6.569 1.00 0.00 O ATOM 623 CB ASP A 816 3.602 -4.654 -8.414 1.00 0.00 C ATOM 624 CG ASP A 816 4.847 -4.015 -8.994 1.00 0.00 C ATOM 625 OD1 ASP A 816 5.626 -4.726 -9.667 1.00 0.00 O ATOM 626 OD2 ASP A 816 5.056 -2.802 -8.784 1.00 0.00 O ATOM 0 H ASP A 816 2.091 -5.598 -6.531 1.00 0.00 H new ATOM 0 HA ASP A 816 4.325 -6.651 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.956 -4.988 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.044 -3.909 -7.848 1.00 0.00 H new ATOM 631 N THR A 817 4.567 -4.628 -5.516 1.00 0.00 N ATOM 632 CA THR A 817 5.484 -4.066 -4.539 1.00 0.00 C ATOM 633 C THR A 817 5.897 -5.096 -3.495 1.00 0.00 C ATOM 634 O THR A 817 7.074 -5.434 -3.380 1.00 0.00 O ATOM 635 CB THR A 817 4.853 -2.857 -3.826 1.00 0.00 C ATOM 636 OG1 THR A 817 3.462 -3.113 -3.574 1.00 0.00 O ATOM 637 CG2 THR A 817 4.999 -1.598 -4.667 1.00 0.00 C ATOM 0 H THR A 817 3.594 -4.351 -5.385 1.00 0.00 H new ATOM 0 HA THR A 817 6.370 -3.747 -5.087 1.00 0.00 H new ATOM 0 HB THR A 817 5.373 -2.704 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 817 2.947 -2.960 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 817 4.546 -0.756 -4.143 1.00 0.00 H new ATOM 0 HG22 THR A 817 6.056 -1.394 -4.836 1.00 0.00 H new ATOM 0 HG23 THR A 817 4.500 -1.741 -5.625 1.00 0.00 H new ATOM 645 N VAL A 818 4.912 -5.612 -2.765 1.00 0.00 N ATOM 646 CA VAL A 818 5.173 -6.456 -1.601 1.00 0.00 C ATOM 647 C VAL A 818 6.003 -7.702 -1.944 1.00 0.00 C ATOM 648 O VAL A 818 7.098 -7.857 -1.414 1.00 0.00 O ATOM 649 CB VAL A 818 3.866 -6.871 -0.889 1.00 0.00 C ATOM 650 CG1 VAL A 818 4.163 -7.572 0.426 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.983 -5.655 -0.657 1.00 0.00 C ATOM 0 H VAL A 818 3.922 -5.460 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 818 5.763 -5.844 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 818 3.334 -7.572 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 818 3.227 -7.854 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.757 -8.466 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.719 -6.900 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 818 2.066 -5.962 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.513 -4.934 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.736 -5.196 -1.615 1.00 0.00 H new ATOM 661 N PRO A 819 5.516 -8.602 -2.835 1.00 0.00 N ATOM 662 CA PRO A 819 6.230 -9.846 -3.168 1.00 0.00 C ATOM 663 C PRO A 819 7.678 -9.606 -3.600 1.00 0.00 C ATOM 664 O PRO A 819 8.601 -10.247 -3.092 1.00 0.00 O ATOM 665 CB PRO A 819 5.411 -10.434 -4.324 1.00 0.00 C ATOM 666 CG PRO A 819 4.047 -9.876 -4.131 1.00 0.00 C ATOM 667 CD PRO A 819 4.245 -8.493 -3.578 1.00 0.00 C ATOM 0 HA PRO A 819 6.307 -10.506 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 819 5.825 -10.147 -5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.403 -11.523 -4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 819 3.500 -9.846 -5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.466 -10.492 -3.445 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.306 -7.748 -4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.422 -8.199 -2.926 1.00 0.00 H new ATOM 675 N ASP A 820 7.871 -8.667 -4.520 1.00 0.00 N ATOM 676 CA ASP A 820 9.205 -8.366 -5.037 1.00 0.00 C ATOM 677 C ASP A 820 10.106 -7.819 -3.937 1.00 0.00 C ATOM 678 O ASP A 820 11.251 -8.250 -3.788 1.00 0.00 O ATOM 679 CB ASP A 820 9.131 -7.364 -6.193 1.00 0.00 C ATOM 680 CG ASP A 820 10.492 -7.084 -6.812 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.199 -8.050 -7.172 1.00 0.00 O ATOM 682 OD2 ASP A 820 10.856 -5.898 -6.955 1.00 0.00 O ATOM 0 H ASP A 820 7.124 -8.101 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 820 9.631 -9.298 -5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.459 -7.749 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 820 8.701 -6.430 -5.832 1.00 0.00 H new ATOM 687 N ASP A 821 9.578 -6.887 -3.151 1.00 0.00 N ATOM 688 CA ASP A 821 10.350 -6.270 -2.078 1.00 0.00 C ATOM 689 C ASP A 821 10.561 -7.250 -0.927 1.00 0.00 C ATOM 690 O ASP A 821 11.459 -7.072 -0.111 1.00 0.00 O ATOM 691 CB ASP A 821 9.672 -4.993 -1.577 1.00 0.00 C ATOM 692 CG ASP A 821 10.196 -3.753 -2.280 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.676 -3.873 -3.427 1.00 0.00 O ATOM 694 OD2 ASP A 821 10.138 -2.650 -1.698 1.00 0.00 O ATOM 0 H ASP A 821 8.622 -6.543 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 821 11.326 -6.000 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.596 -5.070 -1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.833 -4.895 -0.503 1.00 0.00 H new ATOM 699 N VAL A 822 9.727 -8.282 -0.863 1.00 0.00 N ATOM 700 CA VAL A 822 9.922 -9.361 0.099 1.00 0.00 C ATOM 701 C VAL A 822 11.170 -10.160 -0.267 1.00 0.00 C ATOM 702 O VAL A 822 12.021 -10.424 0.585 1.00 0.00 O ATOM 703 CB VAL A 822 8.686 -10.294 0.172 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.058 -11.690 0.661 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.619 -9.689 1.072 1.00 0.00 C ATOM 0 H VAL A 822 8.911 -8.394 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 822 10.053 -8.915 1.085 1.00 0.00 H new ATOM 0 HB VAL A 822 8.289 -10.392 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.164 -12.313 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.782 -12.134 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.494 -11.622 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.757 -10.355 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 822 8.023 -9.555 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.311 -8.723 0.673 1.00 0.00 H new ATOM 715 N LYS A 823 11.287 -10.528 -1.545 1.00 0.00 N ATOM 716 CA LYS A 823 12.492 -11.200 -2.037 1.00 0.00 C ATOM 717 C LYS A 823 13.691 -10.268 -1.904 1.00 0.00 C ATOM 718 O LYS A 823 14.799 -10.696 -1.578 1.00 0.00 O ATOM 719 CB LYS A 823 12.342 -11.620 -3.502 1.00 0.00 C ATOM 720 CG LYS A 823 10.978 -12.187 -3.856 1.00 0.00 C ATOM 721 CD LYS A 823 10.584 -11.825 -5.277 1.00 0.00 C ATOM 722 CE LYS A 823 10.076 -13.034 -6.038 1.00 0.00 C ATOM 723 NZ LYS A 823 11.072 -13.529 -7.023 1.00 0.00 N ATOM 0 H LYS A 823 10.569 -10.374 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 823 12.643 -12.097 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 823 12.539 -10.756 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.103 -12.365 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 823 10.992 -13.271 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 823 10.231 -11.805 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 823 9.812 -11.056 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.443 -11.401 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 823 9.835 -13.831 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 823 9.152 -12.775 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 10.686 -14.356 -7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 11.283 -12.778 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 11.945 -13.800 -6.527 1.00 0.00 H new ATOM 737 N ARG A 824 13.456 -8.990 -2.158 1.00 0.00 N ATOM 738 CA ARG A 824 14.483 -7.981 -1.980 1.00 0.00 C ATOM 739 C ARG A 824 14.922 -7.946 -0.522 1.00 0.00 C ATOM 740 O ARG A 824 16.110 -7.998 -0.239 1.00 0.00 O ATOM 741 CB ARG A 824 13.967 -6.610 -2.413 1.00 0.00 C ATOM 742 CG ARG A 824 13.917 -6.417 -3.922 1.00 0.00 C ATOM 743 CD ARG A 824 14.101 -4.956 -4.310 1.00 0.00 C ATOM 744 NE ARG A 824 13.326 -4.051 -3.464 1.00 0.00 N ATOM 745 CZ ARG A 824 13.838 -3.361 -2.447 1.00 0.00 C ATOM 746 NH1 ARG A 824 15.132 -3.461 -2.163 1.00 0.00 N ATOM 747 NH2 ARG A 824 13.060 -2.576 -1.717 1.00 0.00 N ATOM 0 H ARG A 824 12.561 -8.629 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 824 15.340 -8.236 -2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 824 12.967 -6.464 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.604 -5.839 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 824 14.695 -7.019 -4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 824 12.962 -6.777 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 824 15.157 -4.696 -4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 824 13.805 -4.819 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 824 12.332 -3.941 -3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 824 15.732 -4.066 -2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 824 15.525 -2.933 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 824 12.066 -2.499 -1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 824 13.455 -2.048 -0.938 1.00 0.00 H new ATOM 761 N LEU A 825 13.951 -7.891 0.392 1.00 0.00 N ATOM 762 CA LEU A 825 14.222 -7.917 1.831 1.00 0.00 C ATOM 763 C LEU A 825 15.124 -9.090 2.184 1.00 0.00 C ATOM 764 O LEU A 825 16.104 -8.929 2.907 1.00 0.00 O ATOM 765 CB LEU A 825 12.916 -8.020 2.623 1.00 0.00 C ATOM 766 CG LEU A 825 12.305 -6.688 3.057 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.844 -6.876 3.433 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.079 -6.098 4.224 1.00 0.00 C ATOM 0 H LEU A 825 12.960 -7.828 0.158 1.00 0.00 H new ATOM 0 HA LEU A 825 14.726 -6.987 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.185 -8.555 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.097 -8.624 3.512 1.00 0.00 H new ATOM 0 HG LEU A 825 12.364 -5.993 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.421 -5.919 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.293 -7.257 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.769 -7.587 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.628 -5.150 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 825 13.051 -6.790 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.114 -5.930 3.927 1.00 0.00 H new ATOM 780 N TYR A 826 14.786 -10.266 1.658 1.00 0.00 N ATOM 781 CA TYR A 826 15.618 -11.457 1.814 1.00 0.00 C ATOM 782 C TYR A 826 17.054 -11.151 1.394 1.00 0.00 C ATOM 783 O TYR A 826 18.011 -11.484 2.093 1.00 0.00 O ATOM 784 CB TYR A 826 15.072 -12.599 0.951 1.00 0.00 C ATOM 785 CG TYR A 826 13.937 -13.378 1.579 1.00 0.00 C ATOM 786 CD1 TYR A 826 14.061 -13.945 2.839 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.740 -13.551 0.895 1.00 0.00 C ATOM 788 CE1 TYR A 826 13.019 -14.662 3.405 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.696 -14.264 1.450 1.00 0.00 C ATOM 790 CZ TYR A 826 11.837 -14.818 2.704 1.00 0.00 C ATOM 791 OH TYR A 826 10.795 -15.531 3.260 1.00 0.00 O ATOM 0 H TYR A 826 13.935 -10.419 1.116 1.00 0.00 H new ATOM 0 HA TYR A 826 15.602 -11.756 2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.730 -12.187 0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.886 -13.288 0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.984 -13.826 3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.624 -13.120 -0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 826 13.129 -15.096 4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.773 -14.387 0.904 1.00 0.00 H new ATOM 0 HH TYR A 826 10.039 -15.544 2.637 1.00 0.00 H new ATOM 801 N THR A 827 17.179 -10.485 0.255 1.00 0.00 N ATOM 802 CA THR A 827 18.470 -10.170 -0.332 1.00 0.00 C ATOM 803 C THR A 827 19.256 -9.140 0.497 1.00 0.00 C ATOM 804 O THR A 827 20.444 -9.336 0.768 1.00 0.00 O ATOM 805 CB THR A 827 18.277 -9.656 -1.773 1.00 0.00 C ATOM 806 OG1 THR A 827 17.400 -10.541 -2.492 1.00 0.00 O ATOM 807 CG2 THR A 827 19.600 -9.553 -2.509 1.00 0.00 C ATOM 0 H THR A 827 16.384 -10.148 -0.288 1.00 0.00 H new ATOM 0 HA THR A 827 19.057 -11.088 -0.342 1.00 0.00 H new ATOM 0 HB THR A 827 17.839 -8.660 -1.716 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.478 -10.403 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.426 -9.188 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.257 -8.861 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 827 20.069 -10.536 -2.554 1.00 0.00 H new ATOM 815 N GLU A 828 18.602 -8.058 0.926 1.00 0.00 N ATOM 816 CA GLU A 828 19.294 -7.032 1.707 1.00 0.00 C ATOM 817 C GLU A 828 19.620 -7.549 3.100 1.00 0.00 C ATOM 818 O GLU A 828 20.649 -7.193 3.672 1.00 0.00 O ATOM 819 CB GLU A 828 18.492 -5.728 1.827 1.00 0.00 C ATOM 820 CG GLU A 828 17.238 -5.660 0.975 1.00 0.00 C ATOM 821 CD GLU A 828 17.256 -4.502 0.001 1.00 0.00 C ATOM 822 OE1 GLU A 828 17.969 -4.591 -1.019 1.00 0.00 O ATOM 823 OE2 GLU A 828 16.550 -3.502 0.246 1.00 0.00 O ATOM 0 H GLU A 828 17.615 -7.872 0.750 1.00 0.00 H new ATOM 0 HA GLU A 828 20.213 -6.806 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 828 18.211 -5.588 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.141 -4.895 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.128 -6.593 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 828 16.367 -5.570 1.624 1.00 0.00 H new ATOM 830 N ALA A 829 18.744 -8.390 3.643 1.00 0.00 N ATOM 831 CA ALA A 829 18.962 -8.975 4.960 1.00 0.00 C ATOM 832 C ALA A 829 20.190 -9.874 4.951 1.00 0.00 C ATOM 833 O ALA A 829 21.026 -9.804 5.850 1.00 0.00 O ATOM 834 CB ALA A 829 17.736 -9.755 5.413 1.00 0.00 C ATOM 0 H ALA A 829 17.877 -8.681 3.191 1.00 0.00 H new ATOM 0 HA ALA A 829 19.133 -8.164 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.921 -10.183 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.877 -9.086 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.531 -10.556 4.702 1.00 0.00 H new ATOM 840 N ALA A 830 20.300 -10.700 3.914 1.00 0.00 N ATOM 841 CA ALA A 830 21.448 -11.583 3.749 1.00 0.00 C ATOM 842 C ALA A 830 22.727 -10.772 3.555 1.00 0.00 C ATOM 843 O ALA A 830 23.814 -11.199 3.935 1.00 0.00 O ATOM 844 CB ALA A 830 21.228 -12.522 2.571 1.00 0.00 C ATOM 0 H ALA A 830 19.604 -10.775 3.173 1.00 0.00 H new ATOM 0 HA ALA A 830 21.556 -12.181 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.093 -13.175 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.338 -13.126 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.095 -11.938 1.660 1.00 0.00 H new ATOM 850 N THR A 831 22.583 -9.593 2.970 1.00 0.00 N ATOM 851 CA THR A 831 23.706 -8.694 2.761 1.00 0.00 C ATOM 852 C THR A 831 23.964 -7.848 4.015 1.00 0.00 C ATOM 853 O THR A 831 25.011 -7.218 4.149 1.00 0.00 O ATOM 854 CB THR A 831 23.439 -7.781 1.544 1.00 0.00 C ATOM 855 OG1 THR A 831 23.038 -8.579 0.420 1.00 0.00 O ATOM 856 CG2 THR A 831 24.667 -6.967 1.171 1.00 0.00 C ATOM 0 H THR A 831 21.691 -9.235 2.629 1.00 0.00 H new ATOM 0 HA THR A 831 24.595 -9.293 2.563 1.00 0.00 H new ATOM 0 HB THR A 831 22.643 -7.088 1.817 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.072 -8.739 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.439 -6.338 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 831 24.957 -6.339 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.487 -7.640 0.921 1.00 0.00 H new ATOM 864 N SER A 832 22.997 -7.862 4.937 1.00 0.00 N ATOM 865 CA SER A 832 23.064 -7.082 6.168 1.00 0.00 C ATOM 866 C SER A 832 23.082 -5.591 5.852 1.00 0.00 C ATOM 867 O SER A 832 23.672 -4.787 6.573 1.00 0.00 O ATOM 868 CB SER A 832 24.281 -7.484 7.009 1.00 0.00 C ATOM 869 OG SER A 832 24.516 -8.883 6.926 1.00 0.00 O ATOM 0 H SER A 832 22.146 -8.417 4.847 1.00 0.00 H new ATOM 0 HA SER A 832 22.172 -7.295 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.162 -6.942 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.119 -7.200 8.049 1.00 0.00 H new ATOM 0 HG SER A 832 25.298 -9.116 7.469 1.00 0.00 H new ATOM 875 N ASP A 833 22.415 -5.232 4.762 1.00 0.00 N ATOM 876 CA ASP A 833 22.298 -3.839 4.367 1.00 0.00 C ATOM 877 C ASP A 833 21.095 -3.222 5.053 1.00 0.00 C ATOM 878 O ASP A 833 20.038 -3.039 4.449 1.00 0.00 O ATOM 879 CB ASP A 833 22.164 -3.707 2.849 1.00 0.00 C ATOM 880 CG ASP A 833 22.672 -2.371 2.342 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.256 -1.319 2.874 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.498 -2.366 1.406 1.00 0.00 O ATOM 0 H ASP A 833 21.947 -5.889 4.137 1.00 0.00 H new ATOM 0 HA ASP A 833 23.203 -3.313 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.719 -4.511 2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.118 -3.827 2.567 1.00 0.00 H new ATOM 887 N PHE A 834 21.257 -2.936 6.334 1.00 0.00 N ATOM 888 CA PHE A 834 20.179 -2.384 7.146 1.00 0.00 C ATOM 889 C PHE A 834 19.737 -1.014 6.647 1.00 0.00 C ATOM 890 O PHE A 834 18.600 -0.604 6.880 1.00 0.00 O ATOM 891 CB PHE A 834 20.601 -2.305 8.616 1.00 0.00 C ATOM 892 CG PHE A 834 21.155 -3.597 9.146 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.338 -4.705 9.302 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.496 -3.706 9.481 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.847 -5.897 9.781 1.00 0.00 C ATOM 896 CE2 PHE A 834 23.009 -4.893 9.963 1.00 0.00 C ATOM 897 CZ PHE A 834 22.185 -5.990 10.113 1.00 0.00 C ATOM 0 H PHE A 834 22.131 -3.078 6.840 1.00 0.00 H new ATOM 0 HA PHE A 834 19.326 -3.057 7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.351 -1.522 8.730 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.741 -2.012 9.218 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.291 -4.636 9.046 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.147 -2.852 9.363 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.200 -6.754 9.896 1.00 0.00 H new ATOM 0 HE2 PHE A 834 24.055 -4.964 10.223 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.585 -6.920 10.489 1.00 0.00 H new ATOM 907 N ALA A 835 20.626 -0.315 5.957 1.00 0.00 N ATOM 908 CA ALA A 835 20.268 0.949 5.330 1.00 0.00 C ATOM 909 C ALA A 835 19.200 0.710 4.269 1.00 0.00 C ATOM 910 O ALA A 835 18.197 1.429 4.194 1.00 0.00 O ATOM 911 CB ALA A 835 21.498 1.607 4.724 1.00 0.00 C ATOM 0 H ALA A 835 21.596 -0.599 5.817 1.00 0.00 H new ATOM 0 HA ALA A 835 19.865 1.623 6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.214 2.551 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.233 1.795 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.930 0.947 3.971 1.00 0.00 H new ATOM 917 N ALA A 836 19.397 -0.342 3.485 1.00 0.00 N ATOM 918 CA ALA A 836 18.458 -0.698 2.434 1.00 0.00 C ATOM 919 C ALA A 836 17.206 -1.299 3.050 1.00 0.00 C ATOM 920 O ALA A 836 16.091 -1.046 2.595 1.00 0.00 O ATOM 921 CB ALA A 836 19.096 -1.666 1.449 1.00 0.00 C ATOM 0 H ALA A 836 20.202 -0.964 3.559 1.00 0.00 H new ATOM 0 HA ALA A 836 18.182 0.202 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.377 -1.920 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 836 19.971 -1.200 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.398 -2.573 1.974 1.00 0.00 H new ATOM 927 N LEU A 837 17.408 -2.085 4.102 1.00 0.00 N ATOM 928 CA LEU A 837 16.313 -2.661 4.865 1.00 0.00 C ATOM 929 C LEU A 837 15.376 -1.567 5.365 1.00 0.00 C ATOM 930 O LEU A 837 14.159 -1.667 5.214 1.00 0.00 O ATOM 931 CB LEU A 837 16.871 -3.452 6.048 1.00 0.00 C ATOM 932 CG LEU A 837 16.450 -4.919 6.114 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.671 -5.604 4.775 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.215 -5.641 7.212 1.00 0.00 C ATOM 0 H LEU A 837 18.334 -2.339 4.447 1.00 0.00 H new ATOM 0 HA LEU A 837 15.747 -3.331 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.959 -3.405 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.560 -2.961 6.970 1.00 0.00 H new ATOM 0 HG LEU A 837 15.386 -4.959 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 837 16.364 -6.648 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 837 16.080 -5.103 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.727 -5.553 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.904 -6.685 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.284 -5.588 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 837 17.006 -5.169 8.172 1.00 0.00 H new ATOM 946 N ALA A 838 15.954 -0.518 5.941 1.00 0.00 N ATOM 947 CA ALA A 838 15.179 0.606 6.454 1.00 0.00 C ATOM 948 C ALA A 838 14.414 1.299 5.333 1.00 0.00 C ATOM 949 O ALA A 838 13.239 1.631 5.488 1.00 0.00 O ATOM 950 CB ALA A 838 16.091 1.598 7.165 1.00 0.00 C ATOM 0 H ALA A 838 16.962 -0.423 6.065 1.00 0.00 H new ATOM 0 HA ALA A 838 14.454 0.219 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.498 2.431 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.590 1.102 7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.838 1.972 6.465 1.00 0.00 H new ATOM 956 N GLN A 839 15.082 1.513 4.205 1.00 0.00 N ATOM 957 CA GLN A 839 14.445 2.146 3.055 1.00 0.00 C ATOM 958 C GLN A 839 13.297 1.286 2.527 1.00 0.00 C ATOM 959 O GLN A 839 12.218 1.794 2.219 1.00 0.00 O ATOM 960 CB GLN A 839 15.468 2.402 1.946 1.00 0.00 C ATOM 961 CG GLN A 839 16.437 3.528 2.266 1.00 0.00 C ATOM 962 CD GLN A 839 16.024 4.855 1.659 1.00 0.00 C ATOM 963 OE1 GLN A 839 14.935 5.368 1.925 1.00 0.00 O ATOM 964 NE2 GLN A 839 16.893 5.419 0.835 1.00 0.00 N ATOM 0 H GLN A 839 16.059 1.259 4.062 1.00 0.00 H new ATOM 0 HA GLN A 839 14.037 3.103 3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.033 1.487 1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 839 14.940 2.639 1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.514 3.638 3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.429 3.261 1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 839 17.784 4.961 0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 839 16.672 6.312 0.394 1.00 0.00 H new ATOM 973 N THR A 840 13.534 -0.016 2.436 1.00 0.00 N ATOM 974 CA THR A 840 12.518 -0.954 1.972 1.00 0.00 C ATOM 975 C THR A 840 11.334 -1.008 2.936 1.00 0.00 C ATOM 976 O THR A 840 10.178 -0.954 2.515 1.00 0.00 O ATOM 977 CB THR A 840 13.115 -2.364 1.796 1.00 0.00 C ATOM 978 OG1 THR A 840 14.166 -2.311 0.824 1.00 0.00 O ATOM 979 CG2 THR A 840 12.055 -3.365 1.350 1.00 0.00 C ATOM 0 H THR A 840 14.425 -0.449 2.678 1.00 0.00 H new ATOM 0 HA THR A 840 12.160 -0.599 1.006 1.00 0.00 H new ATOM 0 HB THR A 840 13.507 -2.695 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 840 14.847 -2.981 1.042 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.509 -4.349 1.235 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.264 -3.415 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 840 11.633 -3.047 0.397 1.00 0.00 H new ATOM 987 N ALA A 841 11.627 -1.094 4.229 1.00 0.00 N ATOM 988 CA ALA A 841 10.587 -1.138 5.247 1.00 0.00 C ATOM 989 C ALA A 841 9.721 0.112 5.190 1.00 0.00 C ATOM 990 O ALA A 841 8.504 0.039 5.332 1.00 0.00 O ATOM 991 CB ALA A 841 11.204 -1.290 6.626 1.00 0.00 C ATOM 0 H ALA A 841 12.578 -1.135 4.596 1.00 0.00 H new ATOM 0 HA ALA A 841 9.953 -2.002 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.414 -1.321 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.780 -2.214 6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.861 -0.444 6.826 1.00 0.00 H new ATOM 997 N HIS A 842 10.357 1.254 4.969 1.00 0.00 N ATOM 998 CA HIS A 842 9.641 2.517 4.845 1.00 0.00 C ATOM 999 C HIS A 842 8.763 2.519 3.600 1.00 0.00 C ATOM 1000 O HIS A 842 7.615 2.963 3.641 1.00 0.00 O ATOM 1001 CB HIS A 842 10.624 3.689 4.794 1.00 0.00 C ATOM 1002 CG HIS A 842 9.994 5.017 5.080 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.273 6.153 4.356 1.00 0.00 N ATOM 1004 CD2 HIS A 842 9.092 5.384 6.020 1.00 0.00 C ATOM 1005 CE1 HIS A 842 9.576 7.165 4.841 1.00 0.00 C ATOM 1006 NE2 HIS A 842 8.850 6.724 5.850 1.00 0.00 N ATOM 0 H HIS A 842 11.369 1.332 4.872 1.00 0.00 H new ATOM 0 HA HIS A 842 9.003 2.631 5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.423 3.513 5.515 1.00 0.00 H new ATOM 0 HB3 HIS A 842 11.086 3.721 3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 842 8.646 4.742 6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 842 9.597 8.180 4.474 1.00 0.00 H new ATOM 0 HE2 HIS A 842 8.212 7.287 6.412 1.00 0.00 H new ATOM 1015 N ARG A 843 9.309 2.017 2.501 1.00 0.00 N ATOM 1016 CA ARG A 843 8.572 1.944 1.247 1.00 0.00 C ATOM 1017 C ARG A 843 7.357 1.034 1.391 1.00 0.00 C ATOM 1018 O ARG A 843 6.259 1.382 0.964 1.00 0.00 O ATOM 1019 CB ARG A 843 9.469 1.434 0.116 1.00 0.00 C ATOM 1020 CG ARG A 843 8.837 1.574 -1.260 1.00 0.00 C ATOM 1021 CD ARG A 843 9.373 0.544 -2.240 1.00 0.00 C ATOM 1022 NE ARG A 843 8.775 0.694 -3.566 1.00 0.00 N ATOM 1023 CZ ARG A 843 8.591 -0.311 -4.423 1.00 0.00 C ATOM 1024 NH1 ARG A 843 8.961 -1.547 -4.102 1.00 0.00 N ATOM 1025 NH2 ARG A 843 8.032 -0.080 -5.604 1.00 0.00 N ATOM 0 H ARG A 843 10.261 1.654 2.452 1.00 0.00 H new ATOM 0 HA ARG A 843 8.234 2.950 0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.411 1.982 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.707 0.385 0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.756 1.465 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.027 2.575 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 843 10.456 0.644 -2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 843 9.171 -0.458 -1.861 1.00 0.00 H new ATOM 0 HE ARG A 843 8.480 1.627 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 843 9.389 -1.732 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 843 8.817 -2.310 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 843 7.744 0.865 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 843 7.891 -0.848 -6.260 1.00 0.00 H new ATOM 1039 N LEU A 844 7.562 -0.124 2.010 1.00 0.00 N ATOM 1040 CA LEU A 844 6.489 -1.094 2.188 1.00 0.00 C ATOM 1041 C LEU A 844 5.457 -0.570 3.178 1.00 0.00 C ATOM 1042 O LEU A 844 4.255 -0.729 2.975 1.00 0.00 O ATOM 1043 CB LEU A 844 7.052 -2.438 2.663 1.00 0.00 C ATOM 1044 CG LEU A 844 7.360 -3.444 1.549 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.726 -4.798 2.136 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.176 -3.579 0.605 1.00 0.00 C ATOM 0 H LEU A 844 8.461 -0.413 2.396 1.00 0.00 H new ATOM 0 HA LEU A 844 6.000 -1.246 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.966 -2.252 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.339 -2.890 3.352 1.00 0.00 H new ATOM 0 HG LEU A 844 8.213 -3.072 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.941 -5.498 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.606 -4.694 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.893 -5.174 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.416 -4.298 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.305 -3.925 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 844 5.958 -2.611 0.155 1.00 0.00 H new ATOM 1058 N LYS A 845 5.941 0.074 4.236 1.00 0.00 N ATOM 1059 CA LYS A 845 5.075 0.694 5.231 1.00 0.00 C ATOM 1060 C LYS A 845 4.132 1.693 4.564 1.00 0.00 C ATOM 1061 O LYS A 845 2.929 1.707 4.835 1.00 0.00 O ATOM 1062 CB LYS A 845 5.934 1.383 6.302 1.00 0.00 C ATOM 1063 CG LYS A 845 5.219 2.468 7.092 1.00 0.00 C ATOM 1064 CD LYS A 845 6.197 3.303 7.902 1.00 0.00 C ATOM 1065 CE LYS A 845 6.910 2.467 8.954 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.405 3.299 10.082 1.00 0.00 N ATOM 0 H LYS A 845 6.937 0.180 4.426 1.00 0.00 H new ATOM 0 HA LYS A 845 4.467 -0.074 5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 845 6.298 0.627 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.809 1.820 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.667 3.113 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.488 2.012 7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 845 6.932 3.753 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.664 4.121 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.229 1.706 9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.748 1.943 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.366 2.998 10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.421 4.299 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.775 3.184 10.901 1.00 0.00 H new ATOM 1080 N GLY A 846 4.687 2.509 3.675 1.00 0.00 N ATOM 1081 CA GLY A 846 3.884 3.464 2.937 1.00 0.00 C ATOM 1082 C GLY A 846 2.958 2.785 1.948 1.00 0.00 C ATOM 1083 O GLY A 846 1.820 3.208 1.770 1.00 0.00 O ATOM 0 H GLY A 846 5.682 2.525 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.295 4.058 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.539 4.154 2.405 1.00 0.00 H new ATOM 1087 N VAL A 847 3.449 1.724 1.315 1.00 0.00 N ATOM 1088 CA VAL A 847 2.666 0.973 0.340 1.00 0.00 C ATOM 1089 C VAL A 847 1.429 0.362 0.993 1.00 0.00 C ATOM 1090 O VAL A 847 0.311 0.549 0.515 1.00 0.00 O ATOM 1091 CB VAL A 847 3.517 -0.138 -0.328 1.00 0.00 C ATOM 1092 CG1 VAL A 847 2.640 -1.237 -0.913 1.00 0.00 C ATOM 1093 CG2 VAL A 847 4.410 0.448 -1.410 1.00 0.00 C ATOM 0 H VAL A 847 4.392 1.363 1.461 1.00 0.00 H new ATOM 0 HA VAL A 847 2.346 1.672 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 847 4.143 -0.581 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 847 3.270 -1.999 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 847 2.045 -1.689 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 847 1.977 -0.811 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.999 -0.348 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 847 3.793 0.925 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 847 5.079 1.187 -0.969 1.00 0.00 H new ATOM 1103 N PHE A 848 1.630 -0.345 2.102 1.00 0.00 N ATOM 1104 CA PHE A 848 0.527 -0.964 2.821 1.00 0.00 C ATOM 1105 C PHE A 848 -0.465 0.108 3.271 1.00 0.00 C ATOM 1106 O PHE A 848 -1.669 -0.013 3.042 1.00 0.00 O ATOM 1107 CB PHE A 848 1.050 -1.759 4.020 1.00 0.00 C ATOM 1108 CG PHE A 848 1.484 -3.163 3.674 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.557 -4.187 3.583 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.820 -3.458 3.444 1.00 0.00 C ATOM 1111 CE1 PHE A 848 0.950 -5.476 3.269 1.00 0.00 C ATOM 1112 CE2 PHE A 848 3.219 -4.744 3.129 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.282 -5.756 3.041 1.00 0.00 C ATOM 0 H PHE A 848 2.547 -0.502 2.520 1.00 0.00 H new ATOM 0 HA PHE A 848 0.013 -1.657 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 848 1.893 -1.225 4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.271 -1.806 4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.488 -3.977 3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.558 -2.673 3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.214 -6.263 3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 848 4.263 -4.957 2.952 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.591 -6.761 2.795 1.00 0.00 H new ATOM 1123 N ALA A 849 0.053 1.179 3.864 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.785 2.289 4.310 1.00 0.00 C ATOM 1125 C ALA A 849 -1.542 2.920 3.142 1.00 0.00 C ATOM 1126 O ALA A 849 -2.683 3.361 3.291 1.00 0.00 O ATOM 1127 CB ALA A 849 0.059 3.337 5.020 1.00 0.00 C ATOM 0 H ALA A 849 1.049 1.303 4.047 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.520 1.892 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.579 4.158 5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.544 2.888 5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.818 3.717 4.336 1.00 0.00 H new ATOM 1133 N MET A 850 -0.901 2.954 1.977 1.00 0.00 N ATOM 1134 CA MET A 850 -1.511 3.510 0.773 1.00 0.00 C ATOM 1135 C MET A 850 -2.646 2.614 0.273 1.00 0.00 C ATOM 1136 O MET A 850 -3.657 3.103 -0.229 1.00 0.00 O ATOM 1137 CB MET A 850 -0.450 3.719 -0.315 1.00 0.00 C ATOM 1138 CG MET A 850 -0.819 3.132 -1.664 1.00 0.00 C ATOM 1139 SD MET A 850 -0.208 4.114 -3.045 1.00 0.00 S ATOM 1140 CE MET A 850 -1.753 4.610 -3.809 1.00 0.00 C ATOM 0 H MET A 850 0.046 2.601 1.841 1.00 0.00 H new ATOM 0 HA MET A 850 -1.941 4.481 1.020 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.272 4.788 -0.433 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.488 3.275 0.018 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.417 2.121 -1.737 1.00 0.00 H new ATOM 0 HG3 MET A 850 -1.904 3.050 -1.735 1.00 0.00 H new ATOM 0 HE1 MET A 850 -1.545 5.227 -4.683 1.00 0.00 H new ATOM 0 HE2 MET A 850 -2.309 3.724 -4.115 1.00 0.00 H new ATOM 0 HE3 MET A 850 -2.345 5.181 -3.094 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.479 1.303 0.418 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.523 0.358 0.033 1.00 0.00 C ATOM 1152 C LEU A 851 -4.572 0.254 1.135 1.00 0.00 C ATOM 1153 O LEU A 851 -5.614 -0.376 0.951 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.930 -1.030 -0.244 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.655 -1.051 -1.088 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.920 -2.367 -0.902 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -1.980 -0.828 -2.556 1.00 0.00 C ATOM 0 H LEU A 851 -1.636 0.872 0.797 1.00 0.00 H new ATOM 0 HA LEU A 851 -3.992 0.726 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.719 -1.512 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.686 -1.634 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.008 -0.240 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.015 -2.367 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.653 -2.489 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.564 -3.190 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.059 -0.847 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.647 -1.617 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.467 0.139 -2.678 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.249 0.858 2.285 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.123 0.892 3.464 1.00 0.00 C ATOM 1171 C ASN A 852 -5.029 -0.427 4.211 1.00 0.00 C ATOM 1172 O ASN A 852 -5.905 -0.797 4.992 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.579 1.215 3.102 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.116 2.391 3.896 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.511 2.252 5.054 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -7.128 3.565 3.281 1.00 0.00 N ATOM 0 H ASN A 852 -3.363 1.343 2.425 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.778 1.698 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.647 1.436 2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.201 0.339 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -7.473 4.392 3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -6.793 3.641 2.321 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.928 -1.120 3.968 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.628 -2.367 4.640 1.00 0.00 C ATOM 1185 C LEU A 853 -2.976 -2.062 5.982 1.00 0.00 C ATOM 1186 O LEU A 853 -1.780 -2.287 6.173 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.701 -3.217 3.767 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.246 -3.579 2.378 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.463 -4.740 1.790 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.725 -3.925 2.444 1.00 0.00 C ATOM 0 H LEU A 853 -3.217 -0.830 3.296 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.546 -2.929 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -1.760 -2.682 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.474 -4.140 4.301 1.00 0.00 H new ATOM 0 HG LEU A 853 -3.128 -2.709 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -2.861 -4.985 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -1.413 -4.462 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -2.552 -5.607 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -5.085 -4.177 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -4.870 -4.777 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -5.282 -3.069 2.825 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.777 -1.528 6.894 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.299 -1.061 8.194 1.00 0.00 C ATOM 1204 C VAL A 854 -2.503 -2.131 8.956 1.00 0.00 C ATOM 1205 O VAL A 854 -1.378 -1.860 9.375 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.465 -0.550 9.065 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -3.956 0.012 10.384 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.266 0.502 8.308 1.00 0.00 C ATOM 0 H VAL A 854 -4.780 -1.405 6.755 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.618 -0.235 7.987 1.00 0.00 H new ATOM 0 HB VAL A 854 -5.118 -1.393 9.290 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.799 0.365 10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.427 -0.768 10.932 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.277 0.842 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.086 0.855 8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -4.617 1.340 8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -5.669 0.065 7.394 1.00 0.00 H new ATOM 1218 N PRO A 855 -3.048 -3.352 9.152 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.315 -4.436 9.829 1.00 0.00 C ATOM 1220 C PRO A 855 -0.958 -4.713 9.180 1.00 0.00 C ATOM 1221 O PRO A 855 0.034 -4.981 9.863 1.00 0.00 O ATOM 1222 CB PRO A 855 -3.241 -5.643 9.675 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.601 -5.060 9.523 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.411 -3.778 8.766 1.00 0.00 C ATOM 0 HA PRO A 855 -2.088 -4.189 10.866 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.968 -6.243 8.807 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -3.186 -6.298 10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -5.260 -5.740 8.983 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -5.059 -4.877 10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.495 -3.930 7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -5.158 -3.034 9.042 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.920 -4.630 7.856 1.00 0.00 N ATOM 1233 CA GLY A 856 0.324 -4.816 7.136 1.00 0.00 C ATOM 1234 C GLY A 856 1.306 -3.698 7.414 1.00 0.00 C ATOM 1235 O GLY A 856 2.489 -3.945 7.652 1.00 0.00 O ATOM 0 H GLY A 856 -1.730 -4.437 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.769 -5.770 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.121 -4.864 6.066 1.00 0.00 H new ATOM 1239 N LYS A 857 0.811 -2.466 7.391 1.00 0.00 N ATOM 1240 CA LYS A 857 1.632 -1.303 7.702 1.00 0.00 C ATOM 1241 C LYS A 857 2.137 -1.391 9.139 1.00 0.00 C ATOM 1242 O LYS A 857 3.283 -1.045 9.424 1.00 0.00 O ATOM 1243 CB LYS A 857 0.835 -0.007 7.479 1.00 0.00 C ATOM 1244 CG LYS A 857 1.385 1.207 8.220 1.00 0.00 C ATOM 1245 CD LYS A 857 0.429 1.684 9.304 1.00 0.00 C ATOM 1246 CE LYS A 857 0.648 3.153 9.629 1.00 0.00 C ATOM 1247 NZ LYS A 857 1.124 3.357 11.029 1.00 0.00 N ATOM 0 H LYS A 857 -0.158 -2.247 7.159 1.00 0.00 H new ATOM 0 HA LYS A 857 2.493 -1.288 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.814 0.213 6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.196 -0.171 7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.347 0.956 8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.565 2.016 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.600 1.531 8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 857 0.569 1.086 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 857 1.377 3.572 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -0.284 3.699 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 1.082 4.369 11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 0.518 2.822 11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 2.105 3.022 11.114 1.00 0.00 H new ATOM 1261 N GLN A 858 1.274 -1.873 10.029 1.00 0.00 N ATOM 1262 CA GLN A 858 1.635 -2.087 11.428 1.00 0.00 C ATOM 1263 C GLN A 858 2.841 -3.010 11.527 1.00 0.00 C ATOM 1264 O GLN A 858 3.781 -2.752 12.288 1.00 0.00 O ATOM 1265 CB GLN A 858 0.459 -2.697 12.191 1.00 0.00 C ATOM 1266 CG GLN A 858 -0.282 -1.702 13.065 1.00 0.00 C ATOM 1267 CD GLN A 858 0.109 -1.800 14.527 1.00 0.00 C ATOM 1268 OE1 GLN A 858 0.580 -2.842 14.989 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.082 -0.719 15.261 1.00 0.00 N ATOM 0 H GLN A 858 0.312 -2.125 9.804 1.00 0.00 H new ATOM 0 HA GLN A 858 1.886 -1.123 11.870 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.240 -3.131 11.477 1.00 0.00 H new ATOM 0 HB3 GLN A 858 0.825 -3.513 12.814 1.00 0.00 H new ATOM 0 HG2 GLN A 858 -0.083 -0.692 12.707 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -1.355 -1.869 12.968 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -0.474 0.122 14.838 1.00 0.00 H new ATOM 0 HE22 GLN A 858 0.163 -0.725 16.251 1.00 0.00 H new ATOM 1278 N LEU A 859 2.814 -4.080 10.739 1.00 0.00 N ATOM 1279 CA LEU A 859 3.924 -5.016 10.677 1.00 0.00 C ATOM 1280 C LEU A 859 5.193 -4.305 10.214 1.00 0.00 C ATOM 1281 O LEU A 859 6.256 -4.462 10.815 1.00 0.00 O ATOM 1282 CB LEU A 859 3.595 -6.174 9.731 1.00 0.00 C ATOM 1283 CG LEU A 859 2.887 -7.367 10.378 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.406 -8.343 9.315 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.812 -8.065 11.361 1.00 0.00 C ATOM 0 H LEU A 859 2.029 -4.319 10.132 1.00 0.00 H new ATOM 0 HA LEU A 859 4.092 -5.418 11.676 1.00 0.00 H new ATOM 0 HB2 LEU A 859 2.968 -5.795 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.522 -6.525 9.277 1.00 0.00 H new ATOM 0 HG LEU A 859 2.019 -6.997 10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.905 -9.185 9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.709 -7.838 8.646 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.259 -8.707 8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 859 3.293 -8.911 11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.698 -8.421 10.836 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.109 -7.364 12.141 1.00 0.00 H new ATOM 1297 N CYS A 860 5.064 -3.502 9.164 1.00 0.00 N ATOM 1298 CA CYS A 860 6.196 -2.760 8.620 1.00 0.00 C ATOM 1299 C CYS A 860 6.733 -1.746 9.630 1.00 0.00 C ATOM 1300 O CYS A 860 7.927 -1.443 9.643 1.00 0.00 O ATOM 1301 CB CYS A 860 5.797 -2.057 7.324 1.00 0.00 C ATOM 1302 SG CYS A 860 5.240 -3.185 6.030 1.00 0.00 S ATOM 0 H CYS A 860 4.184 -3.348 8.671 1.00 0.00 H new ATOM 0 HA CYS A 860 6.992 -3.473 8.405 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.002 -1.343 7.538 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.648 -1.485 6.954 1.00 0.00 H new ATOM 0 HG CYS A 860 5.485 -4.411 6.388 1.00 0.00 H new ATOM 1308 N GLU A 861 5.847 -1.224 10.475 1.00 0.00 N ATOM 1309 CA GLU A 861 6.255 -0.342 11.559 1.00 0.00 C ATOM 1310 C GLU A 861 7.206 -1.076 12.496 1.00 0.00 C ATOM 1311 O GLU A 861 8.290 -0.580 12.813 1.00 0.00 O ATOM 1312 CB GLU A 861 5.036 0.154 12.342 1.00 0.00 C ATOM 1313 CG GLU A 861 4.116 1.067 11.545 1.00 0.00 C ATOM 1314 CD GLU A 861 4.576 2.508 11.543 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.694 2.785 12.029 1.00 0.00 O ATOM 1316 OE2 GLU A 861 3.826 3.369 11.037 1.00 0.00 O ATOM 0 H GLU A 861 4.843 -1.398 10.428 1.00 0.00 H new ATOM 0 HA GLU A 861 6.765 0.520 11.128 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.465 -0.707 12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.379 0.686 13.229 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.057 0.708 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.110 1.013 11.960 1.00 0.00 H new ATOM 1323 N THR A 862 6.798 -2.268 12.922 1.00 0.00 N ATOM 1324 CA THR A 862 7.640 -3.105 13.763 1.00 0.00 C ATOM 1325 C THR A 862 8.948 -3.451 13.055 1.00 0.00 C ATOM 1326 O THR A 862 10.007 -3.461 13.673 1.00 0.00 O ATOM 1327 CB THR A 862 6.917 -4.402 14.160 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.528 -4.302 13.821 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.060 -4.671 15.649 1.00 0.00 C ATOM 0 H THR A 862 5.889 -2.674 12.697 1.00 0.00 H new ATOM 0 HA THR A 862 7.862 -2.535 14.665 1.00 0.00 H new ATOM 0 HB THR A 862 7.372 -5.229 13.615 1.00 0.00 H new ATOM 0 HG1 THR A 862 5.069 -5.130 14.073 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.539 -5.594 15.904 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.116 -4.768 15.901 1.00 0.00 H new ATOM 0 HG23 THR A 862 6.627 -3.844 16.211 1.00 0.00 H new ATOM 1337 N LEU A 863 8.870 -3.713 11.754 1.00 0.00 N ATOM 1338 CA LEU A 863 10.056 -4.046 10.969 1.00 0.00 C ATOM 1339 C LEU A 863 11.050 -2.890 10.964 1.00 0.00 C ATOM 1340 O LEU A 863 12.236 -3.085 11.223 1.00 0.00 O ATOM 1341 CB LEU A 863 9.672 -4.407 9.532 1.00 0.00 C ATOM 1342 CG LEU A 863 10.590 -5.413 8.821 1.00 0.00 C ATOM 1343 CD1 LEU A 863 11.286 -4.760 7.640 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.613 -6.011 9.780 1.00 0.00 C ATOM 0 H LEU A 863 8.000 -3.702 11.221 1.00 0.00 H new ATOM 0 HA LEU A 863 10.529 -4.910 11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.660 -4.811 9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.646 -3.490 8.943 1.00 0.00 H new ATOM 0 HG LEU A 863 9.965 -6.226 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 863 11.932 -5.489 7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 863 10.540 -4.401 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 863 11.887 -3.921 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 863 12.245 -6.718 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.231 -5.215 10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.095 -6.528 10.588 1.00 0.00 H new ATOM 1356 N GLU A 864 10.562 -1.689 10.675 1.00 0.00 N ATOM 1357 CA GLU A 864 11.401 -0.497 10.692 1.00 0.00 C ATOM 1358 C GLU A 864 12.070 -0.348 12.053 1.00 0.00 C ATOM 1359 O GLU A 864 13.240 0.031 12.156 1.00 0.00 O ATOM 1360 CB GLU A 864 10.562 0.739 10.386 1.00 0.00 C ATOM 1361 CG GLU A 864 10.989 1.465 9.124 1.00 0.00 C ATOM 1362 CD GLU A 864 10.500 2.896 9.086 1.00 0.00 C ATOM 1363 OE1 GLU A 864 10.045 3.401 10.135 1.00 0.00 O ATOM 1364 OE2 GLU A 864 10.555 3.520 8.012 1.00 0.00 O ATOM 0 H GLU A 864 9.588 -1.515 10.426 1.00 0.00 H new ATOM 0 HA GLU A 864 12.172 -0.599 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.517 0.444 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.623 1.427 11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.077 1.454 9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.607 0.931 8.254 1.00 0.00 H new ATOM 1371 N HIS A 865 11.312 -0.666 13.092 1.00 0.00 N ATOM 1372 CA HIS A 865 11.815 -0.643 14.453 1.00 0.00 C ATOM 1373 C HIS A 865 12.866 -1.733 14.658 1.00 0.00 C ATOM 1374 O HIS A 865 13.894 -1.498 15.277 1.00 0.00 O ATOM 1375 CB HIS A 865 10.660 -0.832 15.435 1.00 0.00 C ATOM 1376 CG HIS A 865 10.960 -0.364 16.823 1.00 0.00 C ATOM 1377 ND1 HIS A 865 11.266 0.944 17.127 1.00 0.00 N ATOM 1378 CD2 HIS A 865 10.996 -1.040 17.995 1.00 0.00 C ATOM 1379 CE1 HIS A 865 11.475 1.054 18.426 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.318 -0.137 18.977 1.00 0.00 N ATOM 0 H HIS A 865 10.334 -0.946 13.014 1.00 0.00 H new ATOM 0 HA HIS A 865 12.285 0.323 14.635 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.788 -0.295 15.062 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.394 -1.888 15.468 1.00 0.00 H new ATOM 0 HD2 HIS A 865 10.806 -2.094 18.132 1.00 0.00 H new ATOM 0 HE1 HIS A 865 11.731 1.963 18.950 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.420 -0.350 19.969 1.00 0.00 H new ATOM 1389 N LEU A 866 12.612 -2.919 14.126 1.00 0.00 N ATOM 1390 CA LEU A 866 13.548 -4.033 14.254 1.00 0.00 C ATOM 1391 C LEU A 866 14.875 -3.701 13.580 1.00 0.00 C ATOM 1392 O LEU A 866 15.938 -4.084 14.063 1.00 0.00 O ATOM 1393 CB LEU A 866 12.960 -5.307 13.642 1.00 0.00 C ATOM 1394 CG LEU A 866 11.776 -5.911 14.400 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.919 -6.754 13.467 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.264 -6.742 15.577 1.00 0.00 C ATOM 0 H LEU A 866 11.766 -3.138 13.601 1.00 0.00 H new ATOM 0 HA LEU A 866 13.725 -4.202 15.316 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.643 -5.088 12.622 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.749 -6.056 13.577 1.00 0.00 H new ATOM 0 HG LEU A 866 11.163 -5.097 14.786 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.082 -7.176 14.023 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.540 -6.130 12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.521 -7.562 13.050 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.408 -7.164 16.104 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.900 -7.549 15.214 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.834 -6.109 16.258 1.00 0.00 H new ATOM 1408 N ILE A 867 14.809 -2.979 12.469 1.00 0.00 N ATOM 1409 CA ILE A 867 16.013 -2.568 11.758 1.00 0.00 C ATOM 1410 C ILE A 867 16.745 -1.481 12.540 1.00 0.00 C ATOM 1411 O ILE A 867 17.975 -1.470 12.609 1.00 0.00 O ATOM 1412 CB ILE A 867 15.690 -2.053 10.339 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.986 -3.141 9.531 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.957 -1.607 9.627 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.031 -2.596 8.496 1.00 0.00 C ATOM 0 H ILE A 867 13.937 -2.666 12.041 1.00 0.00 H new ATOM 0 HA ILE A 867 16.652 -3.446 11.665 1.00 0.00 H new ATOM 0 HB ILE A 867 15.026 -1.193 10.428 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.736 -3.757 9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.439 -3.793 10.212 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.706 -1.248 8.629 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.429 -0.804 10.193 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.645 -2.449 9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.566 -3.423 7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.260 -2.004 8.989 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.577 -1.968 7.792 1.00 0.00 H new ATOM 1427 N ARG A 868 15.981 -0.582 13.146 1.00 0.00 N ATOM 1428 CA ARG A 868 16.550 0.492 13.951 1.00 0.00 C ATOM 1429 C ARG A 868 17.200 -0.067 15.218 1.00 0.00 C ATOM 1430 O ARG A 868 18.139 0.520 15.756 1.00 0.00 O ATOM 1431 CB ARG A 868 15.467 1.525 14.308 1.00 0.00 C ATOM 1432 CG ARG A 868 14.781 1.281 15.630 1.00 0.00 C ATOM 1433 CD ARG A 868 15.379 2.120 16.739 1.00 0.00 C ATOM 1434 NE ARG A 868 15.303 3.554 16.458 1.00 0.00 N ATOM 1435 CZ ARG A 868 16.338 4.295 16.058 1.00 0.00 C ATOM 1436 NH1 ARG A 868 17.530 3.736 15.868 1.00 0.00 N ATOM 1437 NH2 ARG A 868 16.177 5.594 15.842 1.00 0.00 N ATOM 0 H ARG A 868 14.962 -0.575 13.095 1.00 0.00 H new ATOM 0 HA ARG A 868 17.323 0.989 13.365 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.920 2.516 14.326 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.715 1.532 13.519 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.719 1.508 15.535 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.860 0.226 15.891 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.858 1.908 17.673 1.00 0.00 H new ATOM 0 HD3 ARG A 868 16.421 1.836 16.884 1.00 0.00 H new ATOM 0 HE ARG A 868 14.402 4.017 16.575 1.00 0.00 H new ATOM 0 HH11 ARG A 868 17.656 2.737 16.028 1.00 0.00 H new ATOM 0 HH12 ARG A 868 18.318 4.307 15.562 1.00 0.00 H new ATOM 0 HH21 ARG A 868 15.263 6.025 15.982 1.00 0.00 H new ATOM 0 HH22 ARG A 868 16.967 6.162 15.536 1.00 0.00 H new ATOM 1451 N GLU A 869 16.688 -1.197 15.685 1.00 0.00 N ATOM 1452 CA GLU A 869 17.178 -1.823 16.905 1.00 0.00 C ATOM 1453 C GLU A 869 18.167 -2.940 16.577 1.00 0.00 C ATOM 1454 O GLU A 869 18.715 -3.577 17.476 1.00 0.00 O ATOM 1455 CB GLU A 869 16.003 -2.382 17.715 1.00 0.00 C ATOM 1456 CG GLU A 869 14.945 -1.347 18.065 1.00 0.00 C ATOM 1457 CD GLU A 869 14.970 -0.945 19.520 1.00 0.00 C ATOM 1458 OE1 GLU A 869 14.561 -1.760 20.372 1.00 0.00 O ATOM 1459 OE2 GLU A 869 15.393 0.190 19.814 1.00 0.00 O ATOM 0 H GLU A 869 15.926 -1.703 15.233 1.00 0.00 H new ATOM 0 HA GLU A 869 17.694 -1.069 17.499 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.535 -3.187 17.149 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.386 -2.821 18.636 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.093 -0.462 17.447 1.00 0.00 H new ATOM 0 HG3 GLU A 869 13.960 -1.746 17.821 1.00 0.00 H new ATOM 1466 N LYS A 870 18.390 -3.154 15.282 1.00 0.00 N ATOM 1467 CA LYS A 870 19.282 -4.206 14.793 1.00 0.00 C ATOM 1468 C LYS A 870 18.887 -5.571 15.351 1.00 0.00 C ATOM 1469 O LYS A 870 19.728 -6.336 15.827 1.00 0.00 O ATOM 1470 CB LYS A 870 20.737 -3.888 15.143 1.00 0.00 C ATOM 1471 CG LYS A 870 21.569 -3.473 13.939 1.00 0.00 C ATOM 1472 CD LYS A 870 21.499 -1.973 13.701 1.00 0.00 C ATOM 1473 CE LYS A 870 22.374 -1.550 12.534 1.00 0.00 C ATOM 1474 NZ LYS A 870 23.746 -1.190 12.973 1.00 0.00 N ATOM 0 H LYS A 870 17.957 -2.603 14.541 1.00 0.00 H new ATOM 0 HA LYS A 870 19.185 -4.244 13.708 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.759 -3.089 15.884 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.192 -4.764 15.606 1.00 0.00 H new ATOM 0 HG2 LYS A 870 22.606 -3.770 14.093 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.215 -4.000 13.053 1.00 0.00 H new ATOM 0 HD2 LYS A 870 20.467 -1.683 13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.814 -1.446 14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.426 -2.360 11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 870 21.919 -0.698 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 24.312 -0.907 12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 23.699 -0.400 13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 24.190 -2.011 13.432 1.00 0.00 H new ATOM 1488 N ASP A 871 17.600 -5.871 15.293 1.00 0.00 N ATOM 1489 CA ASP A 871 17.090 -7.152 15.750 1.00 0.00 C ATOM 1490 C ASP A 871 17.041 -8.130 14.588 1.00 0.00 C ATOM 1491 O ASP A 871 16.004 -8.295 13.946 1.00 0.00 O ATOM 1492 CB ASP A 871 15.700 -6.991 16.364 1.00 0.00 C ATOM 1493 CG ASP A 871 15.363 -8.100 17.342 1.00 0.00 C ATOM 1494 OD1 ASP A 871 15.836 -9.241 17.150 1.00 0.00 O ATOM 1495 OD2 ASP A 871 14.622 -7.832 18.312 1.00 0.00 O ATOM 0 H ASP A 871 16.885 -5.240 14.931 1.00 0.00 H new ATOM 0 HA ASP A 871 17.759 -7.541 16.517 1.00 0.00 H new ATOM 0 HB2 ASP A 871 15.642 -6.030 16.876 1.00 0.00 H new ATOM 0 HB3 ASP A 871 14.955 -6.974 15.568 1.00 0.00 H new ATOM 1500 N VAL A 872 18.179 -8.760 14.321 1.00 0.00 N ATOM 1501 CA VAL A 872 18.321 -9.681 13.193 1.00 0.00 C ATOM 1502 C VAL A 872 17.221 -10.751 13.167 1.00 0.00 C ATOM 1503 O VAL A 872 16.511 -10.866 12.167 1.00 0.00 O ATOM 1504 CB VAL A 872 19.708 -10.363 13.185 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.903 -11.163 11.907 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.814 -9.330 13.347 1.00 0.00 C ATOM 0 H VAL A 872 19.028 -8.649 14.876 1.00 0.00 H new ATOM 0 HA VAL A 872 18.221 -9.071 12.295 1.00 0.00 H new ATOM 0 HB VAL A 872 19.757 -11.051 14.029 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.885 -11.636 11.920 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.132 -11.930 11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.832 -10.497 11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.783 -9.830 13.339 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.768 -8.615 12.525 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.685 -8.804 14.293 1.00 0.00 H new ATOM 1516 N PRO A 873 17.050 -11.544 14.256 1.00 0.00 N ATOM 1517 CA PRO A 873 16.015 -12.588 14.318 1.00 0.00 C ATOM 1518 C PRO A 873 14.621 -12.041 14.032 1.00 0.00 C ATOM 1519 O PRO A 873 13.839 -12.658 13.308 1.00 0.00 O ATOM 1520 CB PRO A 873 16.099 -13.098 15.758 1.00 0.00 C ATOM 1521 CG PRO A 873 17.484 -12.784 16.189 1.00 0.00 C ATOM 1522 CD PRO A 873 17.843 -11.499 15.500 1.00 0.00 C ATOM 0 HA PRO A 873 16.179 -13.362 13.569 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.365 -12.606 16.396 1.00 0.00 H new ATOM 0 HB3 PRO A 873 15.901 -14.169 15.811 1.00 0.00 H new ATOM 0 HG2 PRO A 873 17.542 -12.677 17.272 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.171 -13.583 15.910 1.00 0.00 H new ATOM 0 HD2 PRO A 873 17.587 -10.632 16.109 1.00 0.00 H new ATOM 0 HD3 PRO A 873 18.912 -11.439 15.293 1.00 0.00 H new ATOM 1530 N GLY A 874 14.325 -10.871 14.588 1.00 0.00 N ATOM 1531 CA GLY A 874 13.034 -10.247 14.372 1.00 0.00 C ATOM 1532 C GLY A 874 12.800 -9.913 12.913 1.00 0.00 C ATOM 1533 O GLY A 874 11.697 -10.092 12.396 1.00 0.00 O ATOM 0 H GLY A 874 14.959 -10.342 15.187 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.246 -10.914 14.722 1.00 0.00 H new ATOM 0 HA3 GLY A 874 12.968 -9.336 14.967 1.00 0.00 H new ATOM 1537 N ILE A 875 13.849 -9.444 12.244 1.00 0.00 N ATOM 1538 CA ILE A 875 13.756 -9.054 10.843 1.00 0.00 C ATOM 1539 C ILE A 875 13.477 -10.262 9.950 1.00 0.00 C ATOM 1540 O ILE A 875 12.516 -10.259 9.181 1.00 0.00 O ATOM 1541 CB ILE A 875 15.042 -8.346 10.359 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.252 -7.036 11.122 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.975 -8.079 8.862 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.678 -6.529 11.079 1.00 0.00 C ATOM 0 H ILE A 875 14.776 -9.325 12.652 1.00 0.00 H new ATOM 0 HA ILE A 875 12.924 -8.354 10.769 1.00 0.00 H new ATOM 0 HB ILE A 875 15.889 -9.003 10.556 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.592 -6.274 10.707 1.00 0.00 H new ATOM 0 HG13 ILE A 875 14.958 -7.180 12.162 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.889 -7.580 8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.870 -9.024 8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.118 -7.442 8.644 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.750 -5.598 11.641 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.342 -7.272 11.521 1.00 0.00 H new ATOM 0 HD13 ILE A 875 16.970 -6.352 10.044 1.00 0.00 H new ATOM 1556 N GLU A 876 14.304 -11.299 10.064 1.00 0.00 N ATOM 1557 CA GLU A 876 14.168 -12.480 9.210 1.00 0.00 C ATOM 1558 C GLU A 876 12.832 -13.178 9.451 1.00 0.00 C ATOM 1559 O GLU A 876 12.156 -13.596 8.502 1.00 0.00 O ATOM 1560 CB GLU A 876 15.325 -13.457 9.437 1.00 0.00 C ATOM 1561 CG GLU A 876 15.811 -13.513 10.874 1.00 0.00 C ATOM 1562 CD GLU A 876 16.568 -14.782 11.190 1.00 0.00 C ATOM 1563 OE1 GLU A 876 17.410 -15.204 10.366 1.00 0.00 O ATOM 1564 OE2 GLU A 876 16.327 -15.363 12.263 1.00 0.00 O ATOM 0 H GLU A 876 15.071 -11.347 10.734 1.00 0.00 H new ATOM 0 HA GLU A 876 14.199 -12.144 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 876 15.010 -14.455 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 876 16.158 -13.174 8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.454 -12.655 11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.956 -13.429 11.545 1.00 0.00 H new ATOM 1571 N LYS A 877 12.451 -13.287 10.722 1.00 0.00 N ATOM 1572 CA LYS A 877 11.168 -13.872 11.090 1.00 0.00 C ATOM 1573 C LYS A 877 10.035 -13.079 10.447 1.00 0.00 C ATOM 1574 O LYS A 877 9.063 -13.653 9.949 1.00 0.00 O ATOM 1575 CB LYS A 877 11.007 -13.893 12.615 1.00 0.00 C ATOM 1576 CG LYS A 877 9.634 -14.343 13.088 1.00 0.00 C ATOM 1577 CD LYS A 877 8.966 -13.276 13.940 1.00 0.00 C ATOM 1578 CE LYS A 877 7.534 -13.021 13.502 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.686 -12.546 14.626 1.00 0.00 N ATOM 0 H LYS A 877 13.015 -12.977 11.514 1.00 0.00 H new ATOM 0 HA LYS A 877 11.131 -14.899 10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.761 -14.555 13.040 1.00 0.00 H new ATOM 0 HB3 LYS A 877 11.204 -12.894 13.004 1.00 0.00 H new ATOM 0 HG2 LYS A 877 9.006 -14.569 12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 877 9.729 -15.264 13.663 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.977 -13.585 14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 877 9.536 -12.349 13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 877 7.526 -12.280 12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 877 7.112 -13.938 13.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 5.717 -12.384 14.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.673 -13.264 15.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 7.074 -11.657 15.002 1.00 0.00 H new ATOM 1593 N TYR A 878 10.183 -11.759 10.440 1.00 0.00 N ATOM 1594 CA TYR A 878 9.201 -10.885 9.820 1.00 0.00 C ATOM 1595 C TYR A 878 9.062 -11.189 8.333 1.00 0.00 C ATOM 1596 O TYR A 878 7.950 -11.247 7.816 1.00 0.00 O ATOM 1597 CB TYR A 878 9.580 -9.412 10.011 1.00 0.00 C ATOM 1598 CG TYR A 878 8.708 -8.461 9.221 1.00 0.00 C ATOM 1599 CD1 TYR A 878 7.545 -7.945 9.769 1.00 0.00 C ATOM 1600 CD2 TYR A 878 9.045 -8.086 7.924 1.00 0.00 C ATOM 1601 CE1 TYR A 878 6.742 -7.085 9.052 1.00 0.00 C ATOM 1602 CE2 TYR A 878 8.245 -7.222 7.202 1.00 0.00 C ATOM 1603 CZ TYR A 878 7.096 -6.724 7.771 1.00 0.00 C ATOM 1604 OH TYR A 878 6.294 -5.864 7.058 1.00 0.00 O ATOM 0 H TYR A 878 10.976 -11.272 10.858 1.00 0.00 H new ATOM 0 HA TYR A 878 8.244 -11.069 10.308 1.00 0.00 H new ATOM 0 HB2 TYR A 878 9.512 -9.161 11.070 1.00 0.00 H new ATOM 0 HB3 TYR A 878 10.620 -9.271 9.716 1.00 0.00 H new ATOM 0 HD1 TYR A 878 7.263 -8.221 10.774 1.00 0.00 H new ATOM 0 HD2 TYR A 878 9.946 -8.477 7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 878 5.837 -6.695 9.494 1.00 0.00 H new ATOM 0 HE2 TYR A 878 8.520 -6.939 6.197 1.00 0.00 H new ATOM 0 HH TYR A 878 5.362 -5.975 7.341 1.00 0.00 H new ATOM 1614 N ILE A 879 10.186 -11.379 7.647 1.00 0.00 N ATOM 1615 CA ILE A 879 10.153 -11.636 6.213 1.00 0.00 C ATOM 1616 C ILE A 879 9.382 -12.917 5.907 1.00 0.00 C ATOM 1617 O ILE A 879 8.595 -12.963 4.963 1.00 0.00 O ATOM 1618 CB ILE A 879 11.562 -11.721 5.585 1.00 0.00 C ATOM 1619 CG1 ILE A 879 12.490 -10.661 6.179 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.470 -11.542 4.077 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.954 -10.895 5.870 1.00 0.00 C ATOM 0 H ILE A 879 11.120 -11.360 8.056 1.00 0.00 H new ATOM 0 HA ILE A 879 9.643 -10.783 5.765 1.00 0.00 H new ATOM 0 HB ILE A 879 11.977 -12.704 5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 879 12.199 -9.682 5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 879 12.355 -10.637 7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.467 -11.603 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.841 -12.326 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 879 11.035 -10.568 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 879 14.552 -10.104 6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 879 14.261 -11.860 6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 879 14.103 -10.890 4.790 1.00 0.00 H new ATOM 1633 N SER A 880 9.585 -13.950 6.716 1.00 0.00 N ATOM 1634 CA SER A 880 8.829 -15.185 6.546 1.00 0.00 C ATOM 1635 C SER A 880 7.343 -14.951 6.836 1.00 0.00 C ATOM 1636 O SER A 880 6.474 -15.527 6.180 1.00 0.00 O ATOM 1637 CB SER A 880 9.377 -16.280 7.461 1.00 0.00 C ATOM 1638 OG SER A 880 10.211 -15.734 8.469 1.00 0.00 O ATOM 0 H SER A 880 10.256 -13.959 7.485 1.00 0.00 H new ATOM 0 HA SER A 880 8.935 -15.509 5.511 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.550 -16.820 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.940 -17.003 6.871 1.00 0.00 H new ATOM 0 HG SER A 880 9.691 -15.118 9.026 1.00 0.00 H new ATOM 1644 N ASP A 881 7.062 -14.081 7.803 1.00 0.00 N ATOM 1645 CA ASP A 881 5.687 -13.813 8.228 1.00 0.00 C ATOM 1646 C ASP A 881 4.965 -12.890 7.253 1.00 0.00 C ATOM 1647 O ASP A 881 3.759 -13.000 7.064 1.00 0.00 O ATOM 1648 CB ASP A 881 5.668 -13.193 9.625 1.00 0.00 C ATOM 1649 CG ASP A 881 4.924 -14.047 10.627 1.00 0.00 C ATOM 1650 OD1 ASP A 881 3.686 -14.173 10.513 1.00 0.00 O ATOM 1651 OD2 ASP A 881 5.573 -14.605 11.533 1.00 0.00 O ATOM 0 H ASP A 881 7.769 -13.548 8.309 1.00 0.00 H new ATOM 0 HA ASP A 881 5.164 -14.769 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.692 -13.046 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 881 5.203 -12.208 9.576 1.00 0.00 H new ATOM 1656 N ILE A 882 5.699 -11.971 6.644 1.00 0.00 N ATOM 1657 CA ILE A 882 5.119 -11.091 5.640 1.00 0.00 C ATOM 1658 C ILE A 882 4.900 -11.851 4.337 1.00 0.00 C ATOM 1659 O ILE A 882 3.965 -11.565 3.590 1.00 0.00 O ATOM 1660 CB ILE A 882 5.965 -9.814 5.389 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.153 -8.802 4.567 1.00 0.00 C ATOM 1662 CG2 ILE A 882 7.279 -10.142 4.692 1.00 0.00 C ATOM 1663 CD1 ILE A 882 5.883 -7.504 4.298 1.00 0.00 C ATOM 0 H ILE A 882 6.691 -11.815 6.825 1.00 0.00 H new ATOM 0 HA ILE A 882 4.159 -10.754 6.032 1.00 0.00 H new ATOM 0 HB ILE A 882 6.210 -9.373 6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.880 -9.258 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 882 4.224 -8.583 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 882 7.845 -9.224 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 882 7.860 -10.824 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 882 7.073 -10.613 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 882 5.245 -6.842 3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 882 6.133 -7.024 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.798 -7.710 3.743 1.00 0.00 H new ATOM 1675 N ASP A 883 5.763 -12.828 4.071 1.00 0.00 N ATOM 1676 CA ASP A 883 5.651 -13.636 2.870 1.00 0.00 C ATOM 1677 C ASP A 883 4.414 -14.498 2.978 1.00 0.00 C ATOM 1678 O ASP A 883 3.615 -14.597 2.048 1.00 0.00 O ATOM 1679 CB ASP A 883 6.901 -14.503 2.699 1.00 0.00 C ATOM 1680 CG ASP A 883 6.675 -15.722 1.823 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.837 -15.619 0.591 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.345 -16.796 2.370 1.00 0.00 O ATOM 0 H ASP A 883 6.547 -13.076 4.675 1.00 0.00 H new ATOM 0 HA ASP A 883 5.567 -12.991 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.698 -13.897 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.245 -14.829 3.681 1.00 0.00 H new ATOM 1687 N SER A 884 4.246 -15.082 4.147 1.00 0.00 N ATOM 1688 CA SER A 884 3.075 -15.870 4.439 1.00 0.00 C ATOM 1689 C SER A 884 1.845 -14.969 4.478 1.00 0.00 C ATOM 1690 O SER A 884 0.767 -15.360 4.035 1.00 0.00 O ATOM 1691 CB SER A 884 3.271 -16.596 5.770 1.00 0.00 C ATOM 1692 OG SER A 884 3.876 -15.757 6.733 1.00 0.00 O ATOM 0 H SER A 884 4.915 -15.022 4.914 1.00 0.00 H new ATOM 0 HA SER A 884 2.924 -16.616 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.307 -16.943 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.890 -17.480 5.616 1.00 0.00 H new ATOM 0 HG SER A 884 4.847 -15.891 6.720 1.00 0.00 H new ATOM 1698 N TYR A 885 2.041 -13.743 4.973 1.00 0.00 N ATOM 1699 CA TYR A 885 0.975 -12.740 5.064 1.00 0.00 C ATOM 1700 C TYR A 885 0.375 -12.472 3.703 1.00 0.00 C ATOM 1701 O TYR A 885 -0.819 -12.650 3.470 1.00 0.00 O ATOM 1702 CB TYR A 885 1.541 -11.414 5.577 1.00 0.00 C ATOM 1703 CG TYR A 885 0.498 -10.437 6.069 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.287 -10.717 7.181 1.00 0.00 C ATOM 1705 CD2 TYR A 885 0.302 -9.228 5.413 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.240 -9.816 7.625 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -0.646 -8.324 5.850 1.00 0.00 C ATOM 1708 CZ TYR A 885 -1.414 -8.622 6.956 1.00 0.00 C ATOM 1709 OH TYR A 885 -2.361 -7.722 7.391 1.00 0.00 O ATOM 0 H TYR A 885 2.943 -13.418 5.322 1.00 0.00 H new ATOM 0 HA TYR A 885 0.217 -13.130 5.743 1.00 0.00 H new ATOM 0 HB2 TYR A 885 2.239 -11.621 6.389 1.00 0.00 H new ATOM 0 HB3 TYR A 885 2.113 -10.944 4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.152 -11.651 7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.901 -8.991 4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -1.844 -10.047 8.490 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -0.785 -7.389 5.328 1.00 0.00 H new ATOM 0 HH TYR A 885 -2.354 -6.933 6.810 1.00 0.00 H new ATOM 1719 N VAL A 886 1.238 -12.050 2.811 1.00 0.00 N ATOM 1720 CA VAL A 886 0.836 -11.634 1.494 1.00 0.00 C ATOM 1721 C VAL A 886 0.324 -12.822 0.684 1.00 0.00 C ATOM 1722 O VAL A 886 -0.586 -12.679 -0.130 1.00 0.00 O ATOM 1723 CB VAL A 886 2.010 -10.909 0.794 1.00 0.00 C ATOM 1724 CG1 VAL A 886 3.141 -11.863 0.440 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.536 -10.152 -0.436 1.00 0.00 C ATOM 0 H VAL A 886 2.242 -11.986 2.981 1.00 0.00 H new ATOM 0 HA VAL A 886 0.009 -10.929 1.574 1.00 0.00 H new ATOM 0 HB VAL A 886 2.406 -10.186 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.943 -11.311 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.523 -12.328 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.769 -12.635 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.384 -9.653 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.089 -10.851 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 886 0.795 -9.409 -0.142 1.00 0.00 H new ATOM 1735 N LYS A 887 0.870 -14.004 0.950 1.00 0.00 N ATOM 1736 CA LYS A 887 0.438 -15.212 0.259 1.00 0.00 C ATOM 1737 C LYS A 887 -0.949 -15.660 0.718 1.00 0.00 C ATOM 1738 O LYS A 887 -1.687 -16.273 -0.051 1.00 0.00 O ATOM 1739 CB LYS A 887 1.455 -16.337 0.451 1.00 0.00 C ATOM 1740 CG LYS A 887 2.662 -16.208 -0.463 1.00 0.00 C ATOM 1741 CD LYS A 887 3.561 -17.433 -0.419 1.00 0.00 C ATOM 1742 CE LYS A 887 3.610 -18.072 0.958 1.00 0.00 C ATOM 1743 NZ LYS A 887 4.934 -18.690 1.227 1.00 0.00 N ATOM 0 H LYS A 887 1.610 -14.150 1.637 1.00 0.00 H new ATOM 0 HA LYS A 887 0.374 -14.976 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 887 1.790 -16.343 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 887 0.968 -17.295 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.323 -16.047 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.238 -15.328 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 887 3.206 -18.166 -1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 887 4.570 -17.150 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 887 3.398 -17.319 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 887 2.831 -18.831 1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 4.864 -19.313 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 5.232 -19.247 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 5.634 -17.944 1.412 1.00 0.00 H new ATOM 1757 N SER A 888 -1.317 -15.359 1.961 1.00 0.00 N ATOM 1758 CA SER A 888 -2.650 -15.706 2.443 1.00 0.00 C ATOM 1759 C SER A 888 -3.655 -14.630 2.043 1.00 0.00 C ATOM 1760 O SER A 888 -4.853 -14.895 1.916 1.00 0.00 O ATOM 1761 CB SER A 888 -2.659 -15.908 3.964 1.00 0.00 C ATOM 1762 OG SER A 888 -1.714 -15.075 4.608 1.00 0.00 O ATOM 0 H SER A 888 -0.723 -14.885 2.641 1.00 0.00 H new ATOM 0 HA SER A 888 -2.939 -16.649 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.655 -15.697 4.353 1.00 0.00 H new ATOM 0 HB3 SER A 888 -2.441 -16.951 4.194 1.00 0.00 H new ATOM 0 HG SER A 888 -0.828 -15.492 4.567 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.158 -13.414 1.838 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.999 -12.299 1.426 1.00 0.00 C ATOM 1770 C LEU A 889 -4.295 -12.359 -0.069 1.00 0.00 C ATOM 1771 O LEU A 889 -5.308 -11.827 -0.527 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.329 -10.968 1.779 1.00 0.00 C ATOM 1773 CG LEU A 889 -4.005 -10.182 2.904 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.613 -10.746 4.261 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -3.642 -8.708 2.814 1.00 0.00 C ATOM 0 H LEU A 889 -2.172 -13.177 1.952 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.944 -12.373 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.295 -11.163 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.302 -10.344 0.886 1.00 0.00 H new ATOM 0 HG LEU A 889 -5.085 -10.279 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.104 -10.174 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -3.922 -11.789 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.532 -10.680 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.131 -8.163 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -2.562 -8.593 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -3.973 -8.310 1.855 1.00 0.00 H new ATOM 1787 N LEU A 890 -3.400 -13.004 -0.815 1.00 0.00 N ATOM 1788 CA LEU A 890 -3.562 -13.167 -2.258 1.00 0.00 C ATOM 1789 C LEU A 890 -4.888 -13.847 -2.584 1.00 0.00 C ATOM 1790 O LEU A 890 -5.071 -15.015 -2.177 1.00 0.00 O ATOM 1791 CB LEU A 890 -2.413 -13.998 -2.839 1.00 0.00 C ATOM 1792 CG LEU A 890 -1.081 -13.263 -3.003 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.038 -14.247 -3.306 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -1.174 -12.216 -4.098 1.00 0.00 C ATOM 1795 OXT LEU A 890 -5.733 -13.219 -3.256 1.00 0.00 O ATOM 0 H LEU A 890 -2.550 -13.425 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.552 -12.173 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -2.253 -14.863 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.720 -14.378 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.855 -12.758 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 890 0.977 -13.706 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 890 0.127 -14.961 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -0.187 -14.781 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -0.216 -11.706 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -1.427 -12.698 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -1.946 -11.490 -3.843 1.00 0.00 H new TER 1807 LEU A 890