USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=25 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 839 GLN : amide:sc= 0.109 X(o=1.2,f=1) USER MOD Set 1.2: A 840 THR OG1 : rot -84:sc= 1.11 USER MOD Set 2.1: A 826 TYR OH : rot 51:sc= 0.122 USER MOD Set 2.2: A 880 SER OG : rot 87:sc= 1.4 USER MOD Single : A 775 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 776 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.7!) USER MOD Single : A 781 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 786 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 789 GLN :FLIP amide:sc= -0.0779 F(o=-2!,f=-0.078) USER MOD Single : A 793 THR OG1 : rot -43:sc= 0.895 USER MOD Single : A 795 SER OG : rot 66:sc= -0.163 USER MOD Single : A 802 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 804 GLN : amide:sc= 1.17 K(o=1.2,f=-0.53) USER MOD Single : A 806 HIS :FLIP no HE2:sc= 0.151 F(o=-0.66,f=0.15) USER MOD Single : A 808 SER OG : rot -74:sc= 0.512 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot -31:sc= 1.2 USER MOD Single : A 817 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 827 THR OG1 : rot 65:sc= 1.22 USER MOD Single : A 831 THR OG1 : rot 180:sc= 0.0628 USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 842 HIS :FLIP no HD1:sc= -0.0026 F(o=-0.93,f=-0.0026) USER MOD Single : A 845 LYS NZ :NH3+ -178:sc= 0.762 (180deg=0.509) USER MOD Single : A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 852 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 857 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 GLN : amide:sc= -0.705 X(o=-0.7,f=-0.8) USER MOD Single : A 860 CYS SG : rot 55:sc= -0.76! USER MOD Single : A 862 THR OG1 : rot 144:sc= 0.0456 USER MOD Single : A 865 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 870 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.042) USER MOD Single : A 877 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.15) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot -88:sc= 0.33 USER MOD Single : A 885 TYR OH : rot 15:sc= -0.598 USER MOD Single : A 887 LYS NZ :NH3+ -97:sc= 1.22 (180deg=-0.739) USER MOD Single : A 888 SER OG : rot 45:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 775 -50.243 -0.705 42.812 1.00 0.00 N ATOM 2 CA MET A 775 -49.814 -0.292 41.457 1.00 0.00 C ATOM 3 C MET A 775 -50.845 0.644 40.836 1.00 0.00 C ATOM 4 O MET A 775 -51.691 0.226 40.039 1.00 0.00 O ATOM 5 CB MET A 775 -49.597 -1.516 40.559 1.00 0.00 C ATOM 6 CG MET A 775 -50.654 -2.599 40.709 1.00 0.00 C ATOM 7 SD MET A 775 -50.517 -3.875 39.444 1.00 0.00 S ATOM 8 CE MET A 775 -50.253 -5.325 40.464 1.00 0.00 C ATOM 0 HA MET A 775 -48.867 0.240 41.546 1.00 0.00 H new ATOM 0 HB2 MET A 775 -49.574 -1.189 39.519 1.00 0.00 H new ATOM 0 HB3 MET A 775 -48.620 -1.945 40.780 1.00 0.00 H new ATOM 0 HG2 MET A 775 -50.563 -3.057 41.694 1.00 0.00 H new ATOM 0 HG3 MET A 775 -51.644 -2.146 40.658 1.00 0.00 H new ATOM 0 HE1 MET A 775 -50.148 -6.204 39.827 1.00 0.00 H new ATOM 0 HE2 MET A 775 -49.346 -5.194 41.054 1.00 0.00 H new ATOM 0 HE3 MET A 775 -51.104 -5.460 41.132 1.00 0.00 H new ATOM 20 N GLN A 776 -50.780 1.913 41.210 1.00 0.00 N ATOM 21 CA GLN A 776 -51.744 2.899 40.734 1.00 0.00 C ATOM 22 C GLN A 776 -51.053 3.962 39.891 1.00 0.00 C ATOM 23 O GLN A 776 -51.662 4.575 39.019 1.00 0.00 O ATOM 24 CB GLN A 776 -52.473 3.561 41.911 1.00 0.00 C ATOM 25 CG GLN A 776 -52.236 2.882 43.251 1.00 0.00 C ATOM 26 CD GLN A 776 -51.875 3.861 44.348 1.00 0.00 C ATOM 27 OE1 GLN A 776 -52.124 5.062 44.233 1.00 0.00 O ATOM 28 NE2 GLN A 776 -51.287 3.356 45.419 1.00 0.00 N ATOM 0 H GLN A 776 -50.071 2.286 41.841 1.00 0.00 H new ATOM 0 HA GLN A 776 -52.476 2.380 40.116 1.00 0.00 H new ATOM 0 HB2 GLN A 776 -52.155 4.601 41.982 1.00 0.00 H new ATOM 0 HB3 GLN A 776 -53.543 3.568 41.704 1.00 0.00 H new ATOM 0 HG2 GLN A 776 -53.133 2.334 43.540 1.00 0.00 H new ATOM 0 HG3 GLN A 776 -51.436 2.150 43.146 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -51.099 2.355 45.473 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -51.021 3.967 46.191 1.00 0.00 H new ATOM 37 N GLU A 777 -49.779 4.176 40.165 1.00 0.00 N ATOM 38 CA GLU A 777 -48.992 5.179 39.458 1.00 0.00 C ATOM 39 C GLU A 777 -48.092 4.523 38.415 1.00 0.00 C ATOM 40 O GLU A 777 -48.396 4.544 37.223 1.00 0.00 O ATOM 41 CB GLU A 777 -48.136 6.005 40.437 1.00 0.00 C ATOM 42 CG GLU A 777 -48.203 5.549 41.893 1.00 0.00 C ATOM 43 CD GLU A 777 -47.732 4.122 42.087 1.00 0.00 C ATOM 44 OE1 GLU A 777 -46.565 3.825 41.768 1.00 0.00 O ATOM 45 OE2 GLU A 777 -48.552 3.281 42.509 1.00 0.00 O ATOM 0 H GLU A 777 -49.260 3.665 40.879 1.00 0.00 H new ATOM 0 HA GLU A 777 -49.689 5.849 38.955 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -47.098 5.969 40.108 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -48.452 7.047 40.383 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -47.593 6.214 42.505 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -49.229 5.639 42.250 1.00 0.00 H new ATOM 52 N ALA A 778 -46.991 3.932 38.873 1.00 0.00 N ATOM 53 CA ALA A 778 -46.022 3.310 37.977 1.00 0.00 C ATOM 54 C ALA A 778 -46.596 2.053 37.337 1.00 0.00 C ATOM 55 O ALA A 778 -46.307 1.760 36.178 1.00 0.00 O ATOM 56 CB ALA A 778 -44.742 2.976 38.730 1.00 0.00 C ATOM 0 H ALA A 778 -46.748 3.871 39.862 1.00 0.00 H new ATOM 0 HA ALA A 778 -45.792 4.022 37.184 1.00 0.00 H new ATOM 0 HB1 ALA A 778 -44.029 2.513 38.048 1.00 0.00 H new ATOM 0 HB2 ALA A 778 -44.311 3.890 39.139 1.00 0.00 H new ATOM 0 HB3 ALA A 778 -44.968 2.286 39.543 1.00 0.00 H new ATOM 62 N VAL A 779 -47.418 1.340 38.115 1.00 0.00 N ATOM 63 CA VAL A 779 -48.072 0.082 37.713 1.00 0.00 C ATOM 64 C VAL A 779 -47.132 -0.857 36.930 1.00 0.00 C ATOM 65 O VAL A 779 -46.429 -1.668 37.538 1.00 0.00 O ATOM 66 CB VAL A 779 -49.430 0.317 36.969 1.00 0.00 C ATOM 67 CG1 VAL A 779 -49.307 1.265 35.780 1.00 0.00 C ATOM 68 CG2 VAL A 779 -50.051 -1.010 36.544 1.00 0.00 C ATOM 0 H VAL A 779 -47.655 1.626 39.065 1.00 0.00 H new ATOM 0 HA VAL A 779 -48.316 -0.434 38.642 1.00 0.00 H new ATOM 0 HB VAL A 779 -50.093 0.805 37.683 1.00 0.00 H new ATOM 0 HG11 VAL A 779 -50.282 1.385 35.308 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -48.948 2.235 36.124 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -48.603 0.853 35.057 1.00 0.00 H new ATOM 0 HG21 VAL A 779 -50.993 -0.822 36.029 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -49.369 -1.533 35.873 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -50.235 -1.624 37.425 1.00 0.00 H new ATOM 78 N LEU A 780 -47.102 -0.745 35.605 1.00 0.00 N ATOM 79 CA LEU A 780 -46.273 -1.610 34.777 1.00 0.00 C ATOM 80 C LEU A 780 -45.716 -0.838 33.590 1.00 0.00 C ATOM 81 O LEU A 780 -46.394 0.023 33.028 1.00 0.00 O ATOM 82 CB LEU A 780 -47.082 -2.806 34.273 1.00 0.00 C ATOM 83 CG LEU A 780 -47.087 -4.027 35.189 1.00 0.00 C ATOM 84 CD1 LEU A 780 -48.141 -5.020 34.730 1.00 0.00 C ATOM 85 CD2 LEU A 780 -45.712 -4.680 35.218 1.00 0.00 C ATOM 0 H LEU A 780 -47.646 -0.059 35.081 1.00 0.00 H new ATOM 0 HA LEU A 780 -45.446 -1.971 35.388 1.00 0.00 H new ATOM 0 HB2 LEU A 780 -48.112 -2.486 34.117 1.00 0.00 H new ATOM 0 HB3 LEU A 780 -46.690 -3.104 33.301 1.00 0.00 H new ATOM 0 HG LEU A 780 -47.331 -3.703 36.201 1.00 0.00 H new ATOM 0 HD11 LEU A 780 -48.136 -5.887 35.390 1.00 0.00 H new ATOM 0 HD12 LEU A 780 -49.123 -4.548 34.759 1.00 0.00 H new ATOM 0 HD13 LEU A 780 -47.921 -5.339 33.711 1.00 0.00 H new ATOM 0 HD21 LEU A 780 -45.735 -5.548 35.876 1.00 0.00 H new ATOM 0 HD22 LEU A 780 -45.438 -4.995 34.211 1.00 0.00 H new ATOM 0 HD23 LEU A 780 -44.977 -3.965 35.587 1.00 0.00 H new ATOM 97 N GLN A 781 -44.480 -1.138 33.218 1.00 0.00 N ATOM 98 CA GLN A 781 -43.865 -0.525 32.051 1.00 0.00 C ATOM 99 C GLN A 781 -43.464 -1.598 31.059 1.00 0.00 C ATOM 100 O GLN A 781 -43.366 -2.774 31.415 1.00 0.00 O ATOM 101 CB GLN A 781 -42.631 0.292 32.436 1.00 0.00 C ATOM 102 CG GLN A 781 -42.776 1.045 33.747 1.00 0.00 C ATOM 103 CD GLN A 781 -42.243 2.458 33.666 1.00 0.00 C ATOM 104 OE1 GLN A 781 -41.086 2.716 33.994 1.00 0.00 O ATOM 105 NE2 GLN A 781 -43.083 3.384 33.233 1.00 0.00 N ATOM 0 H GLN A 781 -43.883 -1.804 33.709 1.00 0.00 H new ATOM 0 HA GLN A 781 -44.596 0.146 31.601 1.00 0.00 H new ATOM 0 HB2 GLN A 781 -41.772 -0.376 32.505 1.00 0.00 H new ATOM 0 HB3 GLN A 781 -42.417 1.005 31.640 1.00 0.00 H new ATOM 0 HG2 GLN A 781 -43.828 1.073 34.032 1.00 0.00 H new ATOM 0 HG3 GLN A 781 -42.247 0.505 34.533 1.00 0.00 H new ATOM 0 HE21 GLN A 781 -44.035 3.127 32.971 1.00 0.00 H new ATOM 0 HE22 GLN A 781 -42.779 4.355 33.161 1.00 0.00 H new ATOM 114 N LEU A 782 -43.227 -1.197 29.821 1.00 0.00 N ATOM 115 CA LEU A 782 -42.773 -2.132 28.811 1.00 0.00 C ATOM 116 C LEU A 782 -41.311 -2.488 29.072 1.00 0.00 C ATOM 117 O LEU A 782 -40.928 -3.656 29.050 1.00 0.00 O ATOM 118 CB LEU A 782 -42.992 -1.558 27.397 1.00 0.00 C ATOM 119 CG LEU A 782 -41.786 -0.894 26.725 1.00 0.00 C ATOM 120 CD1 LEU A 782 -41.682 -1.333 25.273 1.00 0.00 C ATOM 121 CD2 LEU A 782 -41.886 0.621 26.812 1.00 0.00 C ATOM 0 H LEU A 782 -43.341 -0.237 29.495 1.00 0.00 H new ATOM 0 HA LEU A 782 -43.360 -3.049 28.869 1.00 0.00 H new ATOM 0 HB2 LEU A 782 -43.337 -2.366 26.752 1.00 0.00 H new ATOM 0 HB3 LEU A 782 -43.797 -0.825 27.449 1.00 0.00 H new ATOM 0 HG LEU A 782 -40.885 -1.209 27.252 1.00 0.00 H new ATOM 0 HD11 LEU A 782 -40.821 -0.853 24.809 1.00 0.00 H new ATOM 0 HD12 LEU A 782 -41.562 -2.415 25.228 1.00 0.00 H new ATOM 0 HD13 LEU A 782 -42.588 -1.046 24.740 1.00 0.00 H new ATOM 0 HD21 LEU A 782 -41.019 1.071 26.328 1.00 0.00 H new ATOM 0 HD22 LEU A 782 -42.795 0.955 26.312 1.00 0.00 H new ATOM 0 HD23 LEU A 782 -41.916 0.924 27.859 1.00 0.00 H new ATOM 133 N ILE A 783 -40.517 -1.461 29.341 1.00 0.00 N ATOM 134 CA ILE A 783 -39.139 -1.609 29.792 1.00 0.00 C ATOM 135 C ILE A 783 -38.691 -0.282 30.385 1.00 0.00 C ATOM 136 O ILE A 783 -39.365 0.257 31.262 1.00 0.00 O ATOM 137 CB ILE A 783 -38.142 -2.037 28.680 1.00 0.00 C ATOM 138 CG1 ILE A 783 -38.768 -1.937 27.278 1.00 0.00 C ATOM 139 CG2 ILE A 783 -37.630 -3.442 28.965 1.00 0.00 C ATOM 140 CD1 ILE A 783 -38.330 -3.018 26.308 1.00 0.00 C ATOM 0 H ILE A 783 -40.815 -0.490 29.251 1.00 0.00 H new ATOM 0 HA ILE A 783 -39.128 -2.415 30.525 1.00 0.00 H new ATOM 0 HB ILE A 783 -37.298 -1.347 28.690 1.00 0.00 H new ATOM 0 HG12 ILE A 783 -39.853 -1.974 27.376 1.00 0.00 H new ATOM 0 HG13 ILE A 783 -38.520 -0.965 26.853 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -36.931 -3.740 28.184 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -37.123 -3.456 29.930 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -38.469 -4.138 28.986 1.00 0.00 H new ATOM 0 HD11 ILE A 783 -38.822 -2.866 25.347 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -37.249 -2.970 26.174 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -38.603 -3.996 26.705 1.00 0.00 H new ATOM 152 N GLU A 784 -37.582 0.255 29.907 1.00 0.00 N ATOM 153 CA GLU A 784 -37.149 1.574 30.339 1.00 0.00 C ATOM 154 C GLU A 784 -36.536 2.363 29.181 1.00 0.00 C ATOM 155 O GLU A 784 -36.771 3.565 29.052 1.00 0.00 O ATOM 156 CB GLU A 784 -36.165 1.474 31.513 1.00 0.00 C ATOM 157 CG GLU A 784 -34.773 0.995 31.136 1.00 0.00 C ATOM 158 CD GLU A 784 -34.740 -0.474 30.784 1.00 0.00 C ATOM 159 OE1 GLU A 784 -35.044 -0.818 29.623 1.00 0.00 O ATOM 160 OE2 GLU A 784 -34.413 -1.288 31.669 1.00 0.00 O ATOM 0 H GLU A 784 -36.970 -0.196 29.227 1.00 0.00 H new ATOM 0 HA GLU A 784 -38.031 2.115 30.682 1.00 0.00 H new ATOM 0 HB2 GLU A 784 -36.082 2.453 31.984 1.00 0.00 H new ATOM 0 HB3 GLU A 784 -36.578 0.795 32.259 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -34.410 1.576 30.288 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -34.091 1.181 31.966 1.00 0.00 H new ATOM 167 N VAL A 785 -35.758 1.696 28.332 1.00 0.00 N ATOM 168 CA VAL A 785 -35.127 2.378 27.208 1.00 0.00 C ATOM 169 C VAL A 785 -35.763 1.982 25.876 1.00 0.00 C ATOM 170 O VAL A 785 -35.921 2.824 24.994 1.00 0.00 O ATOM 171 CB VAL A 785 -33.600 2.130 27.165 1.00 0.00 C ATOM 172 CG1 VAL A 785 -32.900 2.962 28.230 1.00 0.00 C ATOM 173 CG2 VAL A 785 -33.271 0.656 27.347 1.00 0.00 C ATOM 0 H VAL A 785 -35.552 0.699 28.399 1.00 0.00 H new ATOM 0 HA VAL A 785 -35.293 3.444 27.363 1.00 0.00 H new ATOM 0 HB VAL A 785 -33.240 2.434 26.182 1.00 0.00 H new ATOM 0 HG11 VAL A 785 -31.827 2.778 28.188 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -33.094 4.020 28.051 1.00 0.00 H new ATOM 0 HG13 VAL A 785 -33.278 2.685 29.214 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -32.190 0.517 27.312 1.00 0.00 H new ATOM 0 HG22 VAL A 785 -33.649 0.315 28.311 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -33.737 0.078 26.549 1.00 0.00 H new ATOM 183 N GLN A 786 -36.128 0.705 25.744 1.00 0.00 N ATOM 184 CA GLN A 786 -36.803 0.193 24.549 1.00 0.00 C ATOM 185 C GLN A 786 -35.917 0.321 23.312 1.00 0.00 C ATOM 186 O GLN A 786 -36.153 1.175 22.454 1.00 0.00 O ATOM 187 CB GLN A 786 -38.137 0.913 24.316 1.00 0.00 C ATOM 188 CG GLN A 786 -39.067 0.174 23.363 1.00 0.00 C ATOM 189 CD GLN A 786 -39.496 1.019 22.177 1.00 0.00 C ATOM 190 OE1 GLN A 786 -39.198 0.693 21.024 1.00 0.00 O ATOM 191 NE2 GLN A 786 -40.201 2.104 22.446 1.00 0.00 N ATOM 0 H GLN A 786 -35.965 -0.002 26.461 1.00 0.00 H new ATOM 0 HA GLN A 786 -37.004 -0.865 24.720 1.00 0.00 H new ATOM 0 HB2 GLN A 786 -38.641 1.046 25.273 1.00 0.00 H new ATOM 0 HB3 GLN A 786 -37.939 1.909 23.919 1.00 0.00 H new ATOM 0 HG2 GLN A 786 -38.567 -0.724 23.000 1.00 0.00 H new ATOM 0 HG3 GLN A 786 -39.952 -0.152 23.909 1.00 0.00 H new ATOM 0 HE21 GLN A 786 -40.427 2.339 23.413 1.00 0.00 H new ATOM 0 HE22 GLN A 786 -40.519 2.706 21.687 1.00 0.00 H new ATOM 200 N LEU A 787 -34.896 -0.533 23.238 1.00 0.00 N ATOM 201 CA LEU A 787 -33.975 -0.561 22.100 1.00 0.00 C ATOM 202 C LEU A 787 -33.237 0.766 21.949 1.00 0.00 C ATOM 203 O LEU A 787 -32.771 1.116 20.863 1.00 0.00 O ATOM 204 CB LEU A 787 -34.731 -0.898 20.811 1.00 0.00 C ATOM 205 CG LEU A 787 -34.343 -2.228 20.160 1.00 0.00 C ATOM 206 CD1 LEU A 787 -35.478 -3.233 20.283 1.00 0.00 C ATOM 207 CD2 LEU A 787 -33.975 -2.013 18.700 1.00 0.00 C ATOM 0 H LEU A 787 -34.684 -1.221 23.960 1.00 0.00 H new ATOM 0 HA LEU A 787 -33.234 -1.337 22.289 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -35.799 -0.916 21.028 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -34.565 -0.097 20.091 1.00 0.00 H new ATOM 0 HG LEU A 787 -33.473 -2.629 20.681 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -35.184 -4.172 19.815 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -35.698 -3.406 21.336 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -36.366 -2.842 19.786 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -33.701 -2.967 18.249 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -34.828 -1.592 18.168 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -33.132 -1.326 18.635 1.00 0.00 H new ATOM 219 N ALA A 788 -33.138 1.505 23.042 1.00 0.00 N ATOM 220 CA ALA A 788 -32.418 2.765 23.051 1.00 0.00 C ATOM 221 C ALA A 788 -31.279 2.714 24.054 1.00 0.00 C ATOM 222 O ALA A 788 -31.209 1.789 24.866 1.00 0.00 O ATOM 223 CB ALA A 788 -33.356 3.920 23.368 1.00 0.00 C ATOM 0 H ALA A 788 -33.551 1.250 23.939 1.00 0.00 H new ATOM 0 HA ALA A 788 -32.000 2.929 22.058 1.00 0.00 H new ATOM 0 HB1 ALA A 788 -32.795 4.854 23.369 1.00 0.00 H new ATOM 0 HB2 ALA A 788 -34.141 3.969 22.613 1.00 0.00 H new ATOM 0 HB3 ALA A 788 -33.805 3.765 24.349 1.00 0.00 H new ATOM 229 N GLN A 789 -30.392 3.708 23.986 1.00 0.00 N ATOM 230 CA GLN A 789 -29.233 3.801 24.880 1.00 0.00 C ATOM 231 C GLN A 789 -28.277 2.626 24.691 1.00 0.00 C ATOM 232 O GLN A 789 -27.517 2.279 25.595 1.00 0.00 O ATOM 233 CB GLN A 789 -29.674 3.886 26.342 1.00 0.00 C ATOM 234 CG GLN A 789 -30.305 5.221 26.709 1.00 0.00 C ATOM 235 CD GLN A 789 -30.248 5.510 28.197 1.00 0.00 C ATOM 236 OE1 GLN A 789 -29.739 4.564 28.972 1.00 0.00 O flip ATOM 237 NE2 GLN A 789 -30.668 6.576 28.648 1.00 0.00 N flip ATOM 0 H GLN A 789 -30.455 4.471 23.312 1.00 0.00 H new ATOM 0 HA GLN A 789 -28.701 4.716 24.618 1.00 0.00 H new ATOM 0 HB2 GLN A 789 -30.388 3.088 26.545 1.00 0.00 H new ATOM 0 HB3 GLN A 789 -28.811 3.712 26.984 1.00 0.00 H new ATOM 0 HG2 GLN A 789 -29.795 6.019 26.169 1.00 0.00 H new ATOM 0 HG3 GLN A 789 -31.345 5.228 26.382 1.00 0.00 H new ATOM 0 HE21 GLN A 789 -31.053 7.280 28.018 1.00 0.00 H new ATOM 0 HE22 GLN A 789 -30.631 6.755 29.651 1.00 0.00 H new ATOM 246 N GLU A 790 -28.332 2.006 23.521 1.00 0.00 N ATOM 247 CA GLU A 790 -27.401 0.961 23.171 1.00 0.00 C ATOM 248 C GLU A 790 -26.604 1.371 21.949 1.00 0.00 C ATOM 249 O GLU A 790 -27.054 2.198 21.152 1.00 0.00 O ATOM 250 CB GLU A 790 -28.128 -0.341 22.884 1.00 0.00 C ATOM 251 CG GLU A 790 -29.189 -0.689 23.910 1.00 0.00 C ATOM 252 CD GLU A 790 -28.674 -1.610 24.997 1.00 0.00 C ATOM 253 OE1 GLU A 790 -27.439 -1.778 25.118 1.00 0.00 O ATOM 254 OE2 GLU A 790 -29.506 -2.174 25.737 1.00 0.00 O ATOM 0 H GLU A 790 -29.020 2.216 22.798 1.00 0.00 H new ATOM 0 HA GLU A 790 -26.730 0.807 24.016 1.00 0.00 H new ATOM 0 HB2 GLU A 790 -28.594 -0.277 21.901 1.00 0.00 H new ATOM 0 HB3 GLU A 790 -27.400 -1.151 22.839 1.00 0.00 H new ATOM 0 HG2 GLU A 790 -29.563 0.228 24.364 1.00 0.00 H new ATOM 0 HG3 GLU A 790 -30.032 -1.163 23.408 1.00 0.00 H new ATOM 261 N GLU A 791 -25.439 0.776 21.794 1.00 0.00 N ATOM 262 CA GLU A 791 -24.544 1.124 20.700 1.00 0.00 C ATOM 263 C GLU A 791 -24.011 -0.125 20.033 1.00 0.00 C ATOM 264 O GLU A 791 -23.353 -0.952 20.665 1.00 0.00 O ATOM 265 CB GLU A 791 -23.375 1.983 21.189 1.00 0.00 C ATOM 266 CG GLU A 791 -23.632 2.647 22.523 1.00 0.00 C ATOM 267 CD GLU A 791 -23.521 4.158 22.465 1.00 0.00 C ATOM 268 OE1 GLU A 791 -23.205 4.693 21.382 1.00 0.00 O ATOM 269 OE2 GLU A 791 -23.743 4.818 23.505 1.00 0.00 O ATOM 0 H GLU A 791 -25.085 0.046 22.412 1.00 0.00 H new ATOM 0 HA GLU A 791 -25.119 1.702 19.977 1.00 0.00 H new ATOM 0 HB2 GLU A 791 -22.484 1.360 21.268 1.00 0.00 H new ATOM 0 HB3 GLU A 791 -23.162 2.751 20.445 1.00 0.00 H new ATOM 0 HG2 GLU A 791 -24.628 2.375 22.872 1.00 0.00 H new ATOM 0 HG3 GLU A 791 -22.922 2.264 23.256 1.00 0.00 H new ATOM 276 N VAL A 792 -24.287 -0.251 18.756 1.00 0.00 N ATOM 277 CA VAL A 792 -23.837 -1.392 17.994 1.00 0.00 C ATOM 278 C VAL A 792 -22.500 -1.070 17.308 1.00 0.00 C ATOM 279 O VAL A 792 -22.294 -1.302 16.113 1.00 0.00 O ATOM 280 CB VAL A 792 -24.930 -1.832 16.991 1.00 0.00 C ATOM 281 CG1 VAL A 792 -25.175 -0.778 15.921 1.00 0.00 C ATOM 282 CG2 VAL A 792 -24.581 -3.174 16.383 1.00 0.00 C ATOM 0 H VAL A 792 -24.826 0.429 18.219 1.00 0.00 H new ATOM 0 HA VAL A 792 -23.662 -2.235 18.662 1.00 0.00 H new ATOM 0 HB VAL A 792 -25.865 -1.941 17.541 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -25.949 -1.127 15.237 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -25.498 0.150 16.392 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -24.254 -0.602 15.366 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -25.360 -3.469 15.680 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -23.628 -3.099 15.859 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -24.503 -3.922 17.172 1.00 0.00 H new ATOM 292 N THR A 793 -21.582 -0.545 18.106 1.00 0.00 N ATOM 293 CA THR A 793 -20.282 -0.116 17.617 1.00 0.00 C ATOM 294 C THR A 793 -19.241 -1.229 17.777 1.00 0.00 C ATOM 295 O THR A 793 -18.039 -0.968 17.889 1.00 0.00 O ATOM 296 CB THR A 793 -19.817 1.161 18.357 1.00 0.00 C ATOM 297 OG1 THR A 793 -18.586 1.641 17.805 1.00 0.00 O ATOM 298 CG2 THR A 793 -19.648 0.904 19.849 1.00 0.00 C ATOM 0 H THR A 793 -21.717 -0.405 19.107 1.00 0.00 H new ATOM 0 HA THR A 793 -20.381 0.111 16.555 1.00 0.00 H new ATOM 0 HB THR A 793 -20.588 1.919 18.224 1.00 0.00 H new ATOM 0 HG1 THR A 793 -17.980 0.886 17.650 1.00 0.00 H new ATOM 0 HG21 THR A 793 -19.321 1.820 20.341 1.00 0.00 H new ATOM 0 HG22 THR A 793 -20.600 0.584 20.273 1.00 0.00 H new ATOM 0 HG23 THR A 793 -18.902 0.124 20.002 1.00 0.00 H new ATOM 306 N GLU A 794 -19.710 -2.470 17.788 1.00 0.00 N ATOM 307 CA GLU A 794 -18.824 -3.617 17.899 1.00 0.00 C ATOM 308 C GLU A 794 -18.248 -3.972 16.529 1.00 0.00 C ATOM 309 O GLU A 794 -18.418 -3.217 15.569 1.00 0.00 O ATOM 310 CB GLU A 794 -19.572 -4.816 18.495 1.00 0.00 C ATOM 311 CG GLU A 794 -18.912 -5.379 19.744 1.00 0.00 C ATOM 312 CD GLU A 794 -19.878 -6.126 20.639 1.00 0.00 C ATOM 313 OE1 GLU A 794 -20.228 -7.278 20.316 1.00 0.00 O ATOM 314 OE2 GLU A 794 -20.285 -5.569 21.681 1.00 0.00 O ATOM 0 H GLU A 794 -20.700 -2.706 17.721 1.00 0.00 H new ATOM 0 HA GLU A 794 -18.001 -3.360 18.566 1.00 0.00 H new ATOM 0 HB2 GLU A 794 -20.592 -4.516 18.736 1.00 0.00 H new ATOM 0 HB3 GLU A 794 -19.641 -5.602 17.743 1.00 0.00 H new ATOM 0 HG2 GLU A 794 -18.105 -6.050 19.450 1.00 0.00 H new ATOM 0 HG3 GLU A 794 -18.460 -4.563 20.308 1.00 0.00 H new ATOM 321 N SER A 795 -17.604 -5.135 16.446 1.00 0.00 N ATOM 322 CA SER A 795 -16.940 -5.615 15.226 1.00 0.00 C ATOM 323 C SER A 795 -15.857 -4.641 14.759 1.00 0.00 C ATOM 324 O SER A 795 -16.140 -3.637 14.100 1.00 0.00 O ATOM 325 CB SER A 795 -17.934 -5.900 14.081 1.00 0.00 C ATOM 326 OG SER A 795 -19.255 -5.486 14.392 1.00 0.00 O ATOM 0 H SER A 795 -17.525 -5.781 17.231 1.00 0.00 H new ATOM 0 HA SER A 795 -16.468 -6.561 15.490 1.00 0.00 H new ATOM 0 HB2 SER A 795 -17.600 -5.389 13.178 1.00 0.00 H new ATOM 0 HB3 SER A 795 -17.934 -6.968 13.861 1.00 0.00 H new ATOM 0 HG SER A 795 -19.280 -4.510 14.480 1.00 0.00 H new ATOM 332 N PRO A 796 -14.595 -4.924 15.115 1.00 0.00 N ATOM 333 CA PRO A 796 -13.452 -4.112 14.715 1.00 0.00 C ATOM 334 C PRO A 796 -13.001 -4.415 13.286 1.00 0.00 C ATOM 335 O PRO A 796 -13.823 -4.689 12.404 1.00 0.00 O ATOM 336 CB PRO A 796 -12.354 -4.503 15.724 1.00 0.00 C ATOM 337 CG PRO A 796 -12.976 -5.495 16.657 1.00 0.00 C ATOM 338 CD PRO A 796 -14.177 -6.051 15.948 1.00 0.00 C ATOM 0 HA PRO A 796 -13.688 -3.048 14.721 1.00 0.00 H new ATOM 0 HB2 PRO A 796 -11.493 -4.935 15.214 1.00 0.00 H new ATOM 0 HB3 PRO A 796 -11.996 -3.629 16.268 1.00 0.00 H new ATOM 0 HG2 PRO A 796 -12.271 -6.288 16.906 1.00 0.00 H new ATOM 0 HG3 PRO A 796 -13.265 -5.019 17.594 1.00 0.00 H new ATOM 0 HD2 PRO A 796 -13.927 -6.928 15.351 1.00 0.00 H new ATOM 0 HD3 PRO A 796 -14.958 -6.353 16.646 1.00 0.00 H new ATOM 346 N LEU A 797 -11.694 -4.361 13.062 1.00 0.00 N ATOM 347 CA LEU A 797 -11.121 -4.626 11.748 1.00 0.00 C ATOM 348 C LEU A 797 -11.358 -6.077 11.335 1.00 0.00 C ATOM 349 O LEU A 797 -11.151 -7.001 12.126 1.00 0.00 O ATOM 350 CB LEU A 797 -9.615 -4.321 11.750 1.00 0.00 C ATOM 351 CG LEU A 797 -8.861 -4.757 13.009 1.00 0.00 C ATOM 352 CD1 LEU A 797 -8.010 -5.989 12.727 1.00 0.00 C ATOM 353 CD2 LEU A 797 -7.995 -3.620 13.530 1.00 0.00 C ATOM 0 H LEU A 797 -11.006 -4.134 13.780 1.00 0.00 H new ATOM 0 HA LEU A 797 -11.614 -3.975 11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 797 -9.161 -4.809 10.887 1.00 0.00 H new ATOM 0 HB3 LEU A 797 -9.478 -3.248 11.618 1.00 0.00 H new ATOM 0 HG LEU A 797 -9.593 -5.015 13.775 1.00 0.00 H new ATOM 0 HD11 LEU A 797 -7.482 -6.282 13.635 1.00 0.00 H new ATOM 0 HD12 LEU A 797 -8.652 -6.807 12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 797 -7.286 -5.760 11.945 1.00 0.00 H new ATOM 0 HD21 LEU A 797 -7.466 -3.946 14.425 1.00 0.00 H new ATOM 0 HD22 LEU A 797 -7.273 -3.333 12.766 1.00 0.00 H new ATOM 0 HD23 LEU A 797 -8.625 -2.764 13.773 1.00 0.00 H new ATOM 365 N GLY A 798 -11.807 -6.273 10.109 1.00 0.00 N ATOM 366 CA GLY A 798 -12.005 -7.614 9.607 1.00 0.00 C ATOM 367 C GLY A 798 -13.350 -7.791 8.939 1.00 0.00 C ATOM 368 O GLY A 798 -14.363 -8.004 9.609 1.00 0.00 O ATOM 0 H GLY A 798 -12.038 -5.528 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 798 -11.215 -7.852 8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 798 -11.916 -8.323 10.430 1.00 0.00 H new ATOM 372 N GLY A 799 -13.366 -7.679 7.621 1.00 0.00 N ATOM 373 CA GLY A 799 -14.578 -7.915 6.867 1.00 0.00 C ATOM 374 C GLY A 799 -14.291 -8.616 5.559 1.00 0.00 C ATOM 375 O GLY A 799 -14.646 -9.783 5.377 1.00 0.00 O ATOM 0 H GLY A 799 -12.555 -7.427 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -15.265 -8.518 7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -15.076 -6.965 6.670 1.00 0.00 H new ATOM 379 N ASP A 800 -13.636 -7.903 4.656 1.00 0.00 N ATOM 380 CA ASP A 800 -13.286 -8.429 3.338 1.00 0.00 C ATOM 381 C ASP A 800 -12.256 -7.513 2.687 1.00 0.00 C ATOM 382 O ASP A 800 -12.294 -7.252 1.487 1.00 0.00 O ATOM 383 CB ASP A 800 -14.537 -8.568 2.446 1.00 0.00 C ATOM 384 CG ASP A 800 -15.182 -7.238 2.091 1.00 0.00 C ATOM 385 OD1 ASP A 800 -15.313 -6.373 2.982 1.00 0.00 O ATOM 386 OD2 ASP A 800 -15.570 -7.058 0.921 1.00 0.00 O ATOM 0 H ASP A 800 -13.330 -6.943 4.813 1.00 0.00 H new ATOM 0 HA ASP A 800 -12.858 -9.424 3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -14.262 -9.086 1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -15.270 -9.193 2.957 1.00 0.00 H new ATOM 391 N GLU A 801 -11.320 -7.053 3.507 1.00 0.00 N ATOM 392 CA GLU A 801 -10.319 -6.065 3.109 1.00 0.00 C ATOM 393 C GLU A 801 -9.530 -6.504 1.871 1.00 0.00 C ATOM 394 O GLU A 801 -9.249 -5.692 0.990 1.00 0.00 O ATOM 395 CB GLU A 801 -9.362 -5.803 4.277 1.00 0.00 C ATOM 396 CG GLU A 801 -9.975 -4.979 5.406 1.00 0.00 C ATOM 397 CD GLU A 801 -11.062 -5.715 6.181 1.00 0.00 C ATOM 398 OE1 GLU A 801 -11.082 -6.968 6.159 1.00 0.00 O ATOM 399 OE2 GLU A 801 -11.910 -5.044 6.803 1.00 0.00 O ATOM 0 H GLU A 801 -11.231 -7.357 4.477 1.00 0.00 H new ATOM 0 HA GLU A 801 -10.846 -5.148 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -9.025 -6.758 4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -8.479 -5.286 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -9.186 -4.682 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -10.395 -4.063 4.989 1.00 0.00 H new ATOM 406 N ASN A 802 -9.186 -7.784 1.802 1.00 0.00 N ATOM 407 CA ASN A 802 -8.415 -8.299 0.676 1.00 0.00 C ATOM 408 C ASN A 802 -9.267 -8.295 -0.595 1.00 0.00 C ATOM 409 O ASN A 802 -8.776 -7.998 -1.687 1.00 0.00 O ATOM 410 CB ASN A 802 -7.865 -9.701 0.995 1.00 0.00 C ATOM 411 CG ASN A 802 -8.215 -10.760 -0.039 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.270 -11.386 0.034 1.00 0.00 O ATOM 413 ND2 ASN A 802 -7.323 -10.985 -0.990 1.00 0.00 N ATOM 0 H ASN A 802 -9.426 -8.481 2.507 1.00 0.00 H new ATOM 0 HA ASN A 802 -7.559 -7.647 0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -6.780 -9.641 1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -8.248 -10.017 1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -7.500 -11.699 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -6.459 -10.444 -1.017 1.00 0.00 H new ATOM 420 N ALA A 803 -10.552 -8.588 -0.441 1.00 0.00 N ATOM 421 CA ALA A 803 -11.481 -8.548 -1.562 1.00 0.00 C ATOM 422 C ALA A 803 -11.701 -7.107 -2.007 1.00 0.00 C ATOM 423 O ALA A 803 -11.819 -6.822 -3.198 1.00 0.00 O ATOM 424 CB ALA A 803 -12.801 -9.201 -1.183 1.00 0.00 C ATOM 0 H ALA A 803 -10.974 -8.856 0.448 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.052 -9.107 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.483 -9.162 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.626 -10.240 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.241 -8.669 -0.340 1.00 0.00 H new ATOM 430 N GLN A 804 -11.735 -6.205 -1.035 1.00 0.00 N ATOM 431 CA GLN A 804 -11.876 -4.782 -1.305 1.00 0.00 C ATOM 432 C GLN A 804 -10.713 -4.279 -2.154 1.00 0.00 C ATOM 433 O GLN A 804 -10.919 -3.606 -3.162 1.00 0.00 O ATOM 434 CB GLN A 804 -11.937 -3.991 0.003 1.00 0.00 C ATOM 435 CG GLN A 804 -13.184 -4.264 0.826 1.00 0.00 C ATOM 436 CD GLN A 804 -13.152 -3.581 2.180 1.00 0.00 C ATOM 437 OE1 GLN A 804 -12.616 -2.482 2.322 1.00 0.00 O ATOM 438 NE2 GLN A 804 -13.751 -4.212 3.176 1.00 0.00 N ATOM 0 H GLN A 804 -11.666 -6.438 -0.044 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.806 -4.633 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.058 -4.229 0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -11.889 -2.926 -0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -14.060 -3.926 0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -13.292 -5.339 0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -14.183 -5.122 3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -13.781 -3.789 4.104 1.00 0.00 H new ATOM 447 N LEU A 805 -9.491 -4.626 -1.750 1.00 0.00 N ATOM 448 CA LEU A 805 -8.294 -4.220 -2.481 1.00 0.00 C ATOM 449 C LEU A 805 -8.273 -4.849 -3.876 1.00 0.00 C ATOM 450 O LEU A 805 -7.750 -4.263 -4.829 1.00 0.00 O ATOM 451 CB LEU A 805 -7.028 -4.590 -1.693 1.00 0.00 C ATOM 452 CG LEU A 805 -6.068 -5.555 -2.378 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.772 -4.849 -2.739 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.789 -6.750 -1.482 1.00 0.00 C ATOM 0 H LEU A 805 -9.305 -5.188 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 805 -8.315 -3.137 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.486 -3.672 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.332 -5.026 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.534 -5.912 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -4.098 -5.553 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.985 -4.021 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.302 -4.466 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -5.102 -7.430 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.342 -6.408 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.723 -7.270 -1.268 1.00 0.00 H new ATOM 466 N HIS A 806 -8.846 -6.039 -3.993 1.00 0.00 N ATOM 467 CA HIS A 806 -8.975 -6.691 -5.288 1.00 0.00 C ATOM 468 C HIS A 806 -9.960 -5.937 -6.177 1.00 0.00 C ATOM 469 O HIS A 806 -9.729 -5.772 -7.374 1.00 0.00 O ATOM 470 CB HIS A 806 -9.430 -8.145 -5.119 1.00 0.00 C ATOM 471 CG HIS A 806 -9.422 -8.922 -6.398 1.00 0.00 C ATOM 472 ND1 HIS A 806 -8.433 -9.132 -7.294 1.00 0.00 N flip ATOM 473 CD2 HIS A 806 -10.528 -9.575 -6.891 1.00 0.00 C flip ATOM 474 CE1 HIS A 806 -8.953 -9.898 -8.307 1.00 0.00 C flip ATOM 475 NE2 HIS A 806 -10.221 -10.152 -8.035 1.00 0.00 N flip ATOM 0 H HIS A 806 -9.227 -6.570 -3.210 1.00 0.00 H new ATOM 0 HA HIS A 806 -7.996 -6.683 -5.767 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -8.780 -8.640 -4.398 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -10.437 -8.157 -4.701 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -7.476 -8.785 -7.229 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -11.497 -9.609 -6.415 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -8.416 -10.237 -9.181 1.00 0.00 H new ATOM 484 N ALA A 807 -11.048 -5.471 -5.578 1.00 0.00 N ATOM 485 CA ALA A 807 -12.103 -4.788 -6.314 1.00 0.00 C ATOM 486 C ALA A 807 -11.668 -3.401 -6.772 1.00 0.00 C ATOM 487 O ALA A 807 -12.040 -2.959 -7.858 1.00 0.00 O ATOM 488 CB ALA A 807 -13.355 -4.697 -5.457 1.00 0.00 C ATOM 0 H ALA A 807 -11.223 -5.555 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.320 -5.371 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.140 -4.185 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.691 -5.701 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -13.133 -4.140 -4.547 1.00 0.00 H new ATOM 494 N SER A 808 -10.878 -2.715 -5.949 1.00 0.00 N ATOM 495 CA SER A 808 -10.414 -1.374 -6.287 1.00 0.00 C ATOM 496 C SER A 808 -9.444 -1.428 -7.462 1.00 0.00 C ATOM 497 O SER A 808 -9.373 -0.499 -8.269 1.00 0.00 O ATOM 498 CB SER A 808 -9.748 -0.719 -5.078 1.00 0.00 C ATOM 499 OG SER A 808 -9.355 -1.692 -4.125 1.00 0.00 O ATOM 0 H SER A 808 -10.548 -3.064 -5.049 1.00 0.00 H new ATOM 0 HA SER A 808 -11.276 -0.773 -6.575 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.877 -0.150 -5.402 1.00 0.00 H new ATOM 0 HB3 SER A 808 -10.438 -0.012 -4.617 1.00 0.00 H new ATOM 0 HG SER A 808 -10.146 -2.024 -3.651 1.00 0.00 H new ATOM 505 N GLY A 809 -8.708 -2.526 -7.557 1.00 0.00 N ATOM 506 CA GLY A 809 -7.788 -2.708 -8.660 1.00 0.00 C ATOM 507 C GLY A 809 -6.339 -2.576 -8.244 1.00 0.00 C ATOM 508 O GLY A 809 -5.433 -2.751 -9.058 1.00 0.00 O ATOM 0 H GLY A 809 -8.732 -3.296 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -7.946 -3.692 -9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.007 -1.973 -9.435 1.00 0.00 H new ATOM 512 N TYR A 810 -6.111 -2.299 -6.967 1.00 0.00 N ATOM 513 CA TYR A 810 -4.755 -2.117 -6.466 1.00 0.00 C ATOM 514 C TYR A 810 -4.057 -3.463 -6.299 1.00 0.00 C ATOM 515 O TYR A 810 -2.893 -3.533 -5.905 1.00 0.00 O ATOM 516 CB TYR A 810 -4.762 -1.347 -5.146 1.00 0.00 C ATOM 517 CG TYR A 810 -4.497 0.137 -5.320 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.595 0.737 -6.573 1.00 0.00 C ATOM 519 CD2 TYR A 810 -4.146 0.936 -4.239 1.00 0.00 C ATOM 520 CE1 TYR A 810 -4.352 2.086 -6.741 1.00 0.00 C ATOM 521 CE2 TYR A 810 -3.903 2.288 -4.401 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.007 2.857 -5.653 1.00 0.00 C ATOM 523 OH TYR A 810 -3.774 4.203 -5.816 1.00 0.00 O ATOM 0 H TYR A 810 -6.842 -2.196 -6.263 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.199 -1.531 -7.198 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.727 -1.483 -4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.008 -1.769 -4.482 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -4.866 0.136 -7.429 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -4.062 0.495 -3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -4.432 2.534 -7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -3.633 2.896 -3.550 1.00 0.00 H new ATOM 0 HH TYR A 810 -3.543 4.602 -4.951 1.00 0.00 H new ATOM 533 N TYR A 811 -4.784 -4.529 -6.615 1.00 0.00 N ATOM 534 CA TYR A 811 -4.229 -5.873 -6.622 1.00 0.00 C ATOM 535 C TYR A 811 -3.093 -5.965 -7.636 1.00 0.00 C ATOM 536 O TYR A 811 -2.156 -6.742 -7.465 1.00 0.00 O ATOM 537 CB TYR A 811 -5.317 -6.886 -6.967 1.00 0.00 C ATOM 538 CG TYR A 811 -5.266 -8.154 -6.145 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.795 -8.194 -4.863 1.00 0.00 C ATOM 540 CD2 TYR A 811 -4.709 -9.315 -6.660 1.00 0.00 C ATOM 541 CE1 TYR A 811 -5.771 -9.358 -4.120 1.00 0.00 C ATOM 542 CE2 TYR A 811 -4.676 -10.479 -5.921 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.212 -10.496 -4.654 1.00 0.00 C ATOM 544 OH TYR A 811 -5.205 -11.660 -3.928 1.00 0.00 O ATOM 0 H TYR A 811 -5.770 -4.484 -6.872 1.00 0.00 H new ATOM 0 HA TYR A 811 -3.837 -6.097 -5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.291 -6.417 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.234 -7.147 -8.022 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -6.232 -7.302 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -4.294 -9.307 -7.657 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -6.189 -9.375 -3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -4.232 -11.372 -6.335 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.151 -11.449 -2.972 1.00 0.00 H new ATOM 554 N ALA A 812 -3.184 -5.154 -8.688 1.00 0.00 N ATOM 555 CA ALA A 812 -2.138 -5.090 -9.702 1.00 0.00 C ATOM 556 C ALA A 812 -0.819 -4.654 -9.080 1.00 0.00 C ATOM 557 O ALA A 812 0.240 -5.192 -9.401 1.00 0.00 O ATOM 558 CB ALA A 812 -2.541 -4.143 -10.823 1.00 0.00 C ATOM 0 H ALA A 812 -3.974 -4.532 -8.859 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.005 -6.086 -10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.749 -4.107 -11.571 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.462 -4.498 -11.286 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.701 -3.145 -10.416 1.00 0.00 H new ATOM 564 N LEU A 813 -0.901 -3.691 -8.170 1.00 0.00 N ATOM 565 CA LEU A 813 0.271 -3.200 -7.460 1.00 0.00 C ATOM 566 C LEU A 813 0.749 -4.243 -6.460 1.00 0.00 C ATOM 567 O LEU A 813 1.950 -4.434 -6.266 1.00 0.00 O ATOM 568 CB LEU A 813 -0.056 -1.894 -6.732 1.00 0.00 C ATOM 569 CG LEU A 813 0.667 -0.655 -7.256 1.00 0.00 C ATOM 570 CD1 LEU A 813 0.075 0.602 -6.644 1.00 0.00 C ATOM 571 CD2 LEU A 813 2.155 -0.743 -6.961 1.00 0.00 C ATOM 0 H LEU A 813 -1.773 -3.233 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 813 1.063 -3.010 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.130 -1.721 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.185 -2.016 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 813 0.534 -0.608 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 813 0.601 1.476 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.981 0.671 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 813 0.179 0.563 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.655 0.148 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 813 2.309 -0.814 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 813 2.570 -1.627 -7.446 1.00 0.00 H new ATOM 583 N PHE A 814 -0.214 -4.932 -5.856 1.00 0.00 N ATOM 584 CA PHE A 814 0.056 -5.949 -4.844 1.00 0.00 C ATOM 585 C PHE A 814 0.937 -7.070 -5.396 1.00 0.00 C ATOM 586 O PHE A 814 1.730 -7.658 -4.665 1.00 0.00 O ATOM 587 CB PHE A 814 -1.265 -6.526 -4.328 1.00 0.00 C ATOM 588 CG PHE A 814 -1.213 -7.035 -2.911 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.040 -6.983 -2.174 1.00 0.00 C ATOM 590 CD2 PHE A 814 -2.344 -7.572 -2.321 1.00 0.00 C ATOM 591 CE1 PHE A 814 0.003 -7.460 -0.879 1.00 0.00 C ATOM 592 CE2 PHE A 814 -2.307 -8.048 -1.026 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.132 -7.994 -0.305 1.00 0.00 C ATOM 0 H PHE A 814 -1.206 -4.801 -6.055 1.00 0.00 H new ATOM 0 HA PHE A 814 0.595 -5.476 -4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.034 -5.757 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.571 -7.342 -4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 814 0.851 -6.564 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -3.266 -7.619 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.924 -7.415 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -3.198 -8.463 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.101 -8.369 0.707 1.00 0.00 H new ATOM 603 N VAL A 815 0.805 -7.365 -6.681 1.00 0.00 N ATOM 604 CA VAL A 815 1.597 -8.428 -7.290 1.00 0.00 C ATOM 605 C VAL A 815 2.698 -7.869 -8.183 1.00 0.00 C ATOM 606 O VAL A 815 3.397 -8.622 -8.863 1.00 0.00 O ATOM 607 CB VAL A 815 0.723 -9.399 -8.113 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.124 -10.267 -7.200 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.152 -8.641 -9.100 1.00 0.00 C ATOM 0 H VAL A 815 0.165 -6.890 -7.318 1.00 0.00 H new ATOM 0 HA VAL A 815 2.051 -8.977 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 815 1.387 -10.050 -8.682 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -0.732 -10.943 -7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 815 0.525 -10.848 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -0.775 -9.634 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.758 -9.348 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.805 -7.958 -8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.479 -8.073 -9.784 1.00 0.00 H new ATOM 619 N ASP A 816 2.860 -6.554 -8.176 1.00 0.00 N ATOM 620 CA ASP A 816 3.874 -5.917 -9.006 1.00 0.00 C ATOM 621 C ASP A 816 5.132 -5.638 -8.199 1.00 0.00 C ATOM 622 O ASP A 816 6.082 -6.418 -8.227 1.00 0.00 O ATOM 623 CB ASP A 816 3.343 -4.617 -9.615 1.00 0.00 C ATOM 624 CG ASP A 816 4.154 -4.157 -10.812 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.838 -4.994 -11.441 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.099 -2.952 -11.137 1.00 0.00 O ATOM 0 H ASP A 816 2.307 -5.911 -7.610 1.00 0.00 H new ATOM 0 HA ASP A 816 4.122 -6.603 -9.816 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.306 -4.759 -9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.349 -3.836 -8.855 1.00 0.00 H new ATOM 631 N THR A 817 5.119 -4.549 -7.448 1.00 0.00 N ATOM 632 CA THR A 817 6.303 -4.114 -6.721 1.00 0.00 C ATOM 633 C THR A 817 6.386 -4.734 -5.326 1.00 0.00 C ATOM 634 O THR A 817 7.469 -4.835 -4.753 1.00 0.00 O ATOM 635 CB THR A 817 6.329 -2.582 -6.594 1.00 0.00 C ATOM 636 OG1 THR A 817 5.267 -2.012 -7.379 1.00 0.00 O ATOM 637 CG2 THR A 817 7.666 -2.020 -7.057 1.00 0.00 C ATOM 0 H THR A 817 4.303 -3.950 -7.325 1.00 0.00 H new ATOM 0 HA THR A 817 7.164 -4.453 -7.296 1.00 0.00 H new ATOM 0 HB THR A 817 6.191 -2.322 -5.545 1.00 0.00 H new ATOM 0 HG1 THR A 817 5.285 -1.036 -7.294 1.00 0.00 H new ATOM 0 HG21 THR A 817 7.659 -0.935 -6.957 1.00 0.00 H new ATOM 0 HG22 THR A 817 8.467 -2.435 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 817 7.831 -2.287 -8.101 1.00 0.00 H new ATOM 645 N VAL A 818 5.249 -5.175 -4.791 1.00 0.00 N ATOM 646 CA VAL A 818 5.197 -5.649 -3.408 1.00 0.00 C ATOM 647 C VAL A 818 6.050 -6.909 -3.201 1.00 0.00 C ATOM 648 O VAL A 818 6.962 -6.902 -2.373 1.00 0.00 O ATOM 649 CB VAL A 818 3.748 -5.905 -2.935 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.730 -6.442 -1.510 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.924 -4.629 -3.035 1.00 0.00 C ATOM 0 H VAL A 818 4.359 -5.214 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 818 5.616 -4.849 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 818 3.304 -6.657 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.700 -6.614 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.284 -7.380 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.194 -5.716 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.906 -4.826 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.371 -3.857 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.904 -4.289 -4.070 1.00 0.00 H new ATOM 661 N PRO A 819 5.795 -8.007 -3.945 1.00 0.00 N ATOM 662 CA PRO A 819 6.580 -9.240 -3.804 1.00 0.00 C ATOM 663 C PRO A 819 8.046 -9.022 -4.164 1.00 0.00 C ATOM 664 O PRO A 819 8.933 -9.687 -3.629 1.00 0.00 O ATOM 665 CB PRO A 819 5.918 -10.212 -4.788 1.00 0.00 C ATOM 666 CG PRO A 819 4.565 -9.642 -5.036 1.00 0.00 C ATOM 667 CD PRO A 819 4.741 -8.154 -4.962 1.00 0.00 C ATOM 0 HA PRO A 819 6.585 -9.607 -2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.490 -10.289 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.853 -11.216 -4.369 1.00 0.00 H new ATOM 0 HG2 PRO A 819 4.184 -9.945 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.849 -9.991 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 819 5.042 -7.733 -5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.820 -7.651 -4.667 1.00 0.00 H new ATOM 675 N ASP A 820 8.291 -8.065 -5.055 1.00 0.00 N ATOM 676 CA ASP A 820 9.648 -7.720 -5.461 1.00 0.00 C ATOM 677 C ASP A 820 10.414 -7.108 -4.294 1.00 0.00 C ATOM 678 O ASP A 820 11.581 -7.426 -4.066 1.00 0.00 O ATOM 679 CB ASP A 820 9.622 -6.741 -6.640 1.00 0.00 C ATOM 680 CG ASP A 820 10.981 -6.590 -7.301 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.317 -7.418 -8.178 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.715 -5.637 -6.960 1.00 0.00 O ATOM 0 H ASP A 820 7.564 -7.514 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 820 10.154 -8.633 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.899 -7.086 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.281 -5.766 -6.291 1.00 0.00 H new ATOM 687 N ASP A 821 9.743 -6.239 -3.545 1.00 0.00 N ATOM 688 CA ASP A 821 10.344 -5.617 -2.371 1.00 0.00 C ATOM 689 C ASP A 821 10.507 -6.645 -1.257 1.00 0.00 C ATOM 690 O ASP A 821 11.474 -6.604 -0.500 1.00 0.00 O ATOM 691 CB ASP A 821 9.503 -4.433 -1.882 1.00 0.00 C ATOM 692 CG ASP A 821 10.071 -3.100 -2.331 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.931 -2.536 -1.620 1.00 0.00 O ATOM 694 OD2 ASP A 821 9.687 -2.619 -3.419 1.00 0.00 O ATOM 0 H ASP A 821 8.783 -5.950 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 821 11.327 -5.239 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.484 -4.535 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.448 -4.454 -0.794 1.00 0.00 H new ATOM 699 N VAL A 822 9.566 -7.582 -1.181 1.00 0.00 N ATOM 700 CA VAL A 822 9.619 -8.651 -0.189 1.00 0.00 C ATOM 701 C VAL A 822 10.813 -9.574 -0.443 1.00 0.00 C ATOM 702 O VAL A 822 11.589 -9.860 0.469 1.00 0.00 O ATOM 703 CB VAL A 822 8.310 -9.480 -0.174 1.00 0.00 C ATOM 704 CG1 VAL A 822 8.460 -10.725 0.691 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.144 -8.631 0.311 1.00 0.00 C ATOM 0 H VAL A 822 8.754 -7.622 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 822 9.737 -8.178 0.786 1.00 0.00 H new ATOM 0 HB VAL A 822 8.104 -9.801 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 822 7.527 -11.288 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.263 -11.348 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 822 8.698 -10.431 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.234 -9.231 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.348 -8.275 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.014 -7.778 -0.355 1.00 0.00 H new ATOM 715 N LYS A 823 10.974 -10.028 -1.684 1.00 0.00 N ATOM 716 CA LYS A 823 12.105 -10.887 -2.021 1.00 0.00 C ATOM 717 C LYS A 823 13.411 -10.112 -1.917 1.00 0.00 C ATOM 718 O LYS A 823 14.463 -10.683 -1.622 1.00 0.00 O ATOM 719 CB LYS A 823 11.954 -11.498 -3.418 1.00 0.00 C ATOM 720 CG LYS A 823 11.840 -10.479 -4.530 1.00 0.00 C ATOM 721 CD LYS A 823 12.959 -10.626 -5.550 1.00 0.00 C ATOM 722 CE LYS A 823 13.221 -9.315 -6.269 1.00 0.00 C ATOM 723 NZ LYS A 823 14.494 -9.340 -7.036 1.00 0.00 N ATOM 0 H LYS A 823 10.347 -9.820 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 823 12.123 -11.707 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 823 12.812 -12.141 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 823 11.069 -12.134 -3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 823 10.877 -10.592 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 823 11.864 -9.475 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 823 13.869 -10.958 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 823 12.695 -11.395 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 823 12.394 -9.103 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 823 13.253 -8.504 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 14.632 -8.425 -7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 15.287 -9.516 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 14.455 -10.097 -7.748 1.00 0.00 H new ATOM 737 N ARG A 824 13.349 -8.803 -2.149 1.00 0.00 N ATOM 738 CA ARG A 824 14.511 -7.958 -1.956 1.00 0.00 C ATOM 739 C ARG A 824 14.841 -7.882 -0.474 1.00 0.00 C ATOM 740 O ARG A 824 15.994 -8.015 -0.099 1.00 0.00 O ATOM 741 CB ARG A 824 14.294 -6.557 -2.534 1.00 0.00 C ATOM 742 CG ARG A 824 15.413 -6.117 -3.467 1.00 0.00 C ATOM 743 CD ARG A 824 15.177 -4.726 -4.036 1.00 0.00 C ATOM 744 NE ARG A 824 13.892 -4.616 -4.723 1.00 0.00 N ATOM 745 CZ ARG A 824 12.871 -3.893 -4.268 1.00 0.00 C ATOM 746 NH1 ARG A 824 13.015 -3.168 -3.165 1.00 0.00 N ATOM 747 NH2 ARG A 824 11.719 -3.883 -4.927 1.00 0.00 N ATOM 0 H ARG A 824 12.513 -8.314 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 824 15.351 -8.400 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.348 -6.536 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.209 -5.842 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 824 16.360 -6.130 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.503 -6.831 -4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 824 15.218 -3.994 -3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 824 15.980 -4.480 -4.731 1.00 0.00 H new ATOM 0 HE ARG A 824 13.771 -5.122 -5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 824 13.906 -3.166 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 824 12.235 -2.613 -2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 824 11.616 -4.429 -5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 824 10.937 -3.329 -4.578 1.00 0.00 H new ATOM 761 N LEU A 825 13.815 -7.700 0.360 1.00 0.00 N ATOM 762 CA LEU A 825 13.978 -7.722 1.814 1.00 0.00 C ATOM 763 C LEU A 825 14.789 -8.938 2.239 1.00 0.00 C ATOM 764 O LEU A 825 15.760 -8.822 2.981 1.00 0.00 O ATOM 765 CB LEU A 825 12.613 -7.767 2.507 1.00 0.00 C ATOM 766 CG LEU A 825 12.029 -6.416 2.918 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.611 -6.596 3.435 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.894 -5.749 3.975 1.00 0.00 C ATOM 0 H LEU A 825 12.857 -7.535 0.050 1.00 0.00 H new ATOM 0 HA LEU A 825 14.503 -6.813 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 825 11.905 -8.260 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 825 12.699 -8.390 3.397 1.00 0.00 H new ATOM 0 HG LEU A 825 12.008 -5.770 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.204 -5.627 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 825 9.990 -7.030 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.620 -7.259 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.457 -4.789 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.950 -6.388 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.897 -5.590 3.578 1.00 0.00 H new ATOM 780 N TYR A 826 14.384 -10.099 1.740 1.00 0.00 N ATOM 781 CA TYR A 826 15.081 -11.348 2.015 1.00 0.00 C ATOM 782 C TYR A 826 16.534 -11.282 1.539 1.00 0.00 C ATOM 783 O TYR A 826 17.458 -11.671 2.261 1.00 0.00 O ATOM 784 CB TYR A 826 14.358 -12.508 1.325 1.00 0.00 C ATOM 785 CG TYR A 826 13.396 -13.248 2.226 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.857 -13.996 3.302 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.026 -13.198 1.998 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.981 -14.674 4.127 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.142 -13.874 2.819 1.00 0.00 C ATOM 790 CZ TYR A 826 11.625 -14.610 3.882 1.00 0.00 C ATOM 791 OH TYR A 826 10.751 -15.284 4.701 1.00 0.00 O ATOM 0 H TYR A 826 13.568 -10.201 1.137 1.00 0.00 H new ATOM 0 HA TYR A 826 15.082 -11.510 3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 826 13.812 -12.123 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.099 -13.211 0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.918 -14.048 3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 826 11.646 -12.622 1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 826 13.356 -15.251 4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.080 -13.826 2.629 1.00 0.00 H new ATOM 0 HH TYR A 826 10.943 -15.063 5.636 1.00 0.00 H new ATOM 801 N THR A 827 16.727 -10.766 0.335 1.00 0.00 N ATOM 802 CA THR A 827 18.047 -10.695 -0.272 1.00 0.00 C ATOM 803 C THR A 827 18.960 -9.728 0.488 1.00 0.00 C ATOM 804 O THR A 827 20.110 -10.053 0.788 1.00 0.00 O ATOM 805 CB THR A 827 17.938 -10.262 -1.748 1.00 0.00 C ATOM 806 OG1 THR A 827 17.026 -11.130 -2.445 1.00 0.00 O ATOM 807 CG2 THR A 827 19.297 -10.290 -2.430 1.00 0.00 C ATOM 0 H THR A 827 15.979 -10.387 -0.245 1.00 0.00 H new ATOM 0 HA THR A 827 18.488 -11.691 -0.222 1.00 0.00 H new ATOM 0 HB THR A 827 17.563 -9.239 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.123 -11.015 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.189 -9.980 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 827 19.976 -9.609 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.702 -11.301 -2.393 1.00 0.00 H new ATOM 815 N GLU A 828 18.437 -8.555 0.824 1.00 0.00 N ATOM 816 CA GLU A 828 19.218 -7.546 1.523 1.00 0.00 C ATOM 817 C GLU A 828 19.468 -7.961 2.968 1.00 0.00 C ATOM 818 O GLU A 828 20.492 -7.609 3.551 1.00 0.00 O ATOM 819 CB GLU A 828 18.519 -6.183 1.476 1.00 0.00 C ATOM 820 CG GLU A 828 17.901 -5.850 0.123 1.00 0.00 C ATOM 821 CD GLU A 828 18.921 -5.738 -0.994 1.00 0.00 C ATOM 822 OE1 GLU A 828 19.211 -6.761 -1.649 1.00 0.00 O ATOM 823 OE2 GLU A 828 19.426 -4.620 -1.232 1.00 0.00 O ATOM 0 H GLU A 828 17.475 -8.281 0.623 1.00 0.00 H new ATOM 0 HA GLU A 828 20.179 -7.457 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.738 -6.160 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.240 -5.407 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.174 -6.620 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 828 17.356 -4.910 0.203 1.00 0.00 H new ATOM 830 N ALA A 829 18.534 -8.718 3.542 1.00 0.00 N ATOM 831 CA ALA A 829 18.706 -9.251 4.891 1.00 0.00 C ATOM 832 C ALA A 829 19.869 -10.228 4.924 1.00 0.00 C ATOM 833 O ALA A 829 20.651 -10.248 5.876 1.00 0.00 O ATOM 834 CB ALA A 829 17.430 -9.930 5.370 1.00 0.00 C ATOM 0 H ALA A 829 17.654 -8.975 3.095 1.00 0.00 H new ATOM 0 HA ALA A 829 18.924 -8.422 5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.581 -10.320 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.614 -9.207 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.180 -10.750 4.697 1.00 0.00 H new ATOM 840 N ALA A 830 19.983 -11.028 3.869 1.00 0.00 N ATOM 841 CA ALA A 830 21.083 -11.976 3.735 1.00 0.00 C ATOM 842 C ALA A 830 22.431 -11.261 3.788 1.00 0.00 C ATOM 843 O ALA A 830 23.359 -11.716 4.459 1.00 0.00 O ATOM 844 CB ALA A 830 20.946 -12.764 2.441 1.00 0.00 C ATOM 0 H ALA A 830 19.324 -11.038 3.091 1.00 0.00 H new ATOM 0 HA ALA A 830 21.038 -12.671 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 830 21.774 -13.468 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.003 -13.311 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 830 20.962 -12.078 1.594 1.00 0.00 H new ATOM 850 N THR A 831 22.526 -10.135 3.089 1.00 0.00 N ATOM 851 CA THR A 831 23.740 -9.327 3.089 1.00 0.00 C ATOM 852 C THR A 831 23.815 -8.433 4.326 1.00 0.00 C ATOM 853 O THR A 831 24.847 -7.818 4.591 1.00 0.00 O ATOM 854 CB THR A 831 23.811 -8.446 1.828 1.00 0.00 C ATOM 855 OG1 THR A 831 22.681 -8.714 0.983 1.00 0.00 O ATOM 856 CG2 THR A 831 25.095 -8.707 1.061 1.00 0.00 C ATOM 0 H THR A 831 21.773 -9.760 2.513 1.00 0.00 H new ATOM 0 HA THR A 831 24.584 -10.017 3.100 1.00 0.00 H new ATOM 0 HB THR A 831 23.797 -7.401 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.730 -8.150 0.183 1.00 0.00 H new ATOM 0 HG21 THR A 831 25.124 -8.074 0.174 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.951 -8.481 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.133 -9.754 0.761 1.00 0.00 H new ATOM 864 N SER A 832 22.706 -8.369 5.067 1.00 0.00 N ATOM 865 CA SER A 832 22.605 -7.558 6.277 1.00 0.00 C ATOM 866 C SER A 832 22.687 -6.074 5.933 1.00 0.00 C ATOM 867 O SER A 832 23.210 -5.266 6.698 1.00 0.00 O ATOM 868 CB SER A 832 23.680 -7.958 7.294 1.00 0.00 C ATOM 869 OG SER A 832 23.733 -9.372 7.436 1.00 0.00 O ATOM 0 H SER A 832 21.852 -8.880 4.842 1.00 0.00 H new ATOM 0 HA SER A 832 21.634 -7.742 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 832 24.651 -7.583 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 832 23.465 -7.498 8.259 1.00 0.00 H new ATOM 0 HG SER A 832 24.426 -9.610 8.087 1.00 0.00 H new ATOM 875 N ASP A 833 22.149 -5.723 4.769 1.00 0.00 N ATOM 876 CA ASP A 833 22.084 -4.333 4.343 1.00 0.00 C ATOM 877 C ASP A 833 20.875 -3.667 4.973 1.00 0.00 C ATOM 878 O ASP A 833 19.840 -3.471 4.332 1.00 0.00 O ATOM 879 CB ASP A 833 22.018 -4.225 2.820 1.00 0.00 C ATOM 880 CG ASP A 833 22.312 -2.821 2.324 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.724 -1.966 3.134 1.00 0.00 O ATOM 882 OD2 ASP A 833 22.135 -2.565 1.115 1.00 0.00 O ATOM 0 H ASP A 833 21.751 -6.386 4.104 1.00 0.00 H new ATOM 0 HA ASP A 833 22.991 -3.825 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.732 -4.920 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.027 -4.527 2.480 1.00 0.00 H new ATOM 887 N PHE A 834 21.018 -3.353 6.249 1.00 0.00 N ATOM 888 CA PHE A 834 19.961 -2.719 7.030 1.00 0.00 C ATOM 889 C PHE A 834 19.469 -1.427 6.384 1.00 0.00 C ATOM 890 O PHE A 834 18.317 -1.040 6.570 1.00 0.00 O ATOM 891 CB PHE A 834 20.453 -2.444 8.454 1.00 0.00 C ATOM 892 CG PHE A 834 20.985 -3.666 9.147 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.136 -4.697 9.513 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.336 -3.785 9.424 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.627 -5.826 10.143 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.831 -4.911 10.051 1.00 0.00 C ATOM 897 CZ PHE A 834 21.976 -5.933 10.411 1.00 0.00 C ATOM 0 H PHE A 834 21.872 -3.530 6.778 1.00 0.00 H new ATOM 0 HA PHE A 834 19.118 -3.409 7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.235 -1.685 8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.633 -2.031 9.041 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.079 -4.619 9.304 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.010 -2.988 9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 834 19.955 -6.623 10.425 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.887 -4.992 10.260 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.362 -6.814 10.901 1.00 0.00 H new ATOM 907 N ALA A 835 20.337 -0.765 5.625 1.00 0.00 N ATOM 908 CA ALA A 835 19.950 0.441 4.899 1.00 0.00 C ATOM 909 C ALA A 835 18.836 0.137 3.902 1.00 0.00 C ATOM 910 O ALA A 835 17.874 0.903 3.765 1.00 0.00 O ATOM 911 CB ALA A 835 21.151 1.039 4.183 1.00 0.00 C ATOM 0 H ALA A 835 21.310 -1.042 5.497 1.00 0.00 H new ATOM 0 HA ALA A 835 19.577 1.168 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 835 20.845 1.937 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 835 21.919 1.296 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.551 0.313 3.475 1.00 0.00 H new ATOM 917 N ALA A 836 18.946 -1.012 3.247 1.00 0.00 N ATOM 918 CA ALA A 836 17.993 -1.401 2.221 1.00 0.00 C ATOM 919 C ALA A 836 16.769 -2.006 2.876 1.00 0.00 C ATOM 920 O ALA A 836 15.643 -1.843 2.406 1.00 0.00 O ATOM 921 CB ALA A 836 18.619 -2.385 1.248 1.00 0.00 C ATOM 0 H ALA A 836 19.689 -1.691 3.411 1.00 0.00 H new ATOM 0 HA ALA A 836 17.698 -0.516 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 836 17.887 -2.662 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 836 19.482 -1.923 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 836 18.938 -3.277 1.787 1.00 0.00 H new ATOM 927 N LEU A 837 17.013 -2.691 3.979 1.00 0.00 N ATOM 928 CA LEU A 837 15.951 -3.240 4.794 1.00 0.00 C ATOM 929 C LEU A 837 15.048 -2.117 5.298 1.00 0.00 C ATOM 930 O LEU A 837 13.824 -2.227 5.274 1.00 0.00 O ATOM 931 CB LEU A 837 16.557 -4.002 5.974 1.00 0.00 C ATOM 932 CG LEU A 837 17.183 -5.354 5.625 1.00 0.00 C ATOM 933 CD1 LEU A 837 18.102 -5.826 6.739 1.00 0.00 C ATOM 934 CD2 LEU A 837 16.104 -6.387 5.352 1.00 0.00 C ATOM 0 H LEU A 837 17.951 -2.880 4.332 1.00 0.00 H new ATOM 0 HA LEU A 837 15.352 -3.926 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.319 -3.376 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 837 15.779 -4.162 6.721 1.00 0.00 H new ATOM 0 HG LEU A 837 17.779 -5.230 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 837 18.536 -6.789 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 837 18.899 -5.097 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.531 -5.931 7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.568 -7.342 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 837 15.480 -6.505 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 837 15.488 -6.057 4.516 1.00 0.00 H new ATOM 946 N ALA A 838 15.672 -1.028 5.732 1.00 0.00 N ATOM 947 CA ALA A 838 14.948 0.119 6.268 1.00 0.00 C ATOM 948 C ALA A 838 14.129 0.830 5.194 1.00 0.00 C ATOM 949 O ALA A 838 12.941 1.096 5.393 1.00 0.00 O ATOM 950 CB ALA A 838 15.910 1.094 6.929 1.00 0.00 C ATOM 0 H ALA A 838 16.686 -0.915 5.723 1.00 0.00 H new ATOM 0 HA ALA A 838 14.251 -0.258 7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.353 1.944 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.433 0.593 7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.635 1.445 6.194 1.00 0.00 H new ATOM 956 N GLN A 839 14.755 1.132 4.054 1.00 0.00 N ATOM 957 CA GLN A 839 14.059 1.847 2.983 1.00 0.00 C ATOM 958 C GLN A 839 12.857 1.051 2.474 1.00 0.00 C ATOM 959 O GLN A 839 11.799 1.621 2.208 1.00 0.00 O ATOM 960 CB GLN A 839 14.997 2.177 1.821 1.00 0.00 C ATOM 961 CG GLN A 839 15.835 1.006 1.360 1.00 0.00 C ATOM 962 CD GLN A 839 15.842 0.840 -0.148 1.00 0.00 C ATOM 963 OE1 GLN A 839 16.461 1.625 -0.866 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.163 -0.186 -0.637 1.00 0.00 N ATOM 0 H GLN A 839 15.727 0.897 3.851 1.00 0.00 H new ATOM 0 HA GLN A 839 13.702 2.784 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 839 14.405 2.541 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.659 2.990 2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.859 1.139 1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 839 15.457 0.093 1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 839 14.663 -0.813 -0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 839 15.140 -0.349 -1.644 1.00 0.00 H new ATOM 973 N THR A 840 13.015 -0.263 2.362 1.00 0.00 N ATOM 974 CA THR A 840 11.932 -1.117 1.900 1.00 0.00 C ATOM 975 C THR A 840 10.858 -1.269 2.981 1.00 0.00 C ATOM 976 O THR A 840 9.668 -1.288 2.676 1.00 0.00 O ATOM 977 CB THR A 840 12.457 -2.498 1.452 1.00 0.00 C ATOM 978 OG1 THR A 840 13.093 -2.374 0.173 1.00 0.00 O ATOM 979 CG2 THR A 840 11.334 -3.521 1.353 1.00 0.00 C ATOM 0 H THR A 840 13.879 -0.757 2.584 1.00 0.00 H new ATOM 0 HA THR A 840 11.479 -0.636 1.033 1.00 0.00 H new ATOM 0 HB THR A 840 13.169 -2.845 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 840 12.417 -2.420 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 840 11.743 -4.480 1.035 1.00 0.00 H new ATOM 0 HG22 THR A 840 10.858 -3.634 2.327 1.00 0.00 H new ATOM 0 HG23 THR A 840 10.596 -3.182 0.626 1.00 0.00 H new ATOM 987 N ALA A 841 11.273 -1.347 4.243 1.00 0.00 N ATOM 988 CA ALA A 841 10.322 -1.400 5.351 1.00 0.00 C ATOM 989 C ALA A 841 9.458 -0.146 5.360 1.00 0.00 C ATOM 990 O ALA A 841 8.248 -0.209 5.570 1.00 0.00 O ATOM 991 CB ALA A 841 11.047 -1.549 6.682 1.00 0.00 C ATOM 0 H ALA A 841 12.253 -1.375 4.523 1.00 0.00 H new ATOM 0 HA ALA A 841 9.682 -2.271 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.318 -1.586 7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.631 -2.469 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.712 -0.698 6.831 1.00 0.00 H new ATOM 997 N HIS A 842 10.093 0.993 5.108 1.00 0.00 N ATOM 998 CA HIS A 842 9.386 2.265 5.028 1.00 0.00 C ATOM 999 C HIS A 842 8.510 2.314 3.782 1.00 0.00 C ATOM 1000 O HIS A 842 7.397 2.837 3.810 1.00 0.00 O ATOM 1001 CB HIS A 842 10.383 3.424 5.017 1.00 0.00 C ATOM 1002 CG HIS A 842 10.415 4.185 6.299 1.00 0.00 C ATOM 1003 ND1 HIS A 842 9.414 4.734 7.019 1.00 0.00 N flip ATOM 1004 CD2 HIS A 842 11.574 4.441 7.000 1.00 0.00 C flip ATOM 1005 CE1 HIS A 842 9.978 5.305 8.130 1.00 0.00 C flip ATOM 1006 NE2 HIS A 842 11.283 5.117 8.094 1.00 0.00 N flip ATOM 0 H HIS A 842 11.099 1.061 4.955 1.00 0.00 H new ATOM 0 HA HIS A 842 8.745 2.359 5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.380 3.035 4.808 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.130 4.105 4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 842 12.566 4.136 6.700 1.00 0.00 H new ATOM 0 HE1 HIS A 842 9.441 5.825 8.909 1.00 0.00 H new ATOM 0 HE2 HIS A 842 11.952 5.439 8.793 1.00 0.00 H new ATOM 1015 N ARG A 843 9.021 1.756 2.693 1.00 0.00 N ATOM 1016 CA ARG A 843 8.273 1.671 1.444 1.00 0.00 C ATOM 1017 C ARG A 843 7.016 0.834 1.632 1.00 0.00 C ATOM 1018 O ARG A 843 5.920 1.243 1.246 1.00 0.00 O ATOM 1019 CB ARG A 843 9.138 1.063 0.339 1.00 0.00 C ATOM 1020 CG ARG A 843 9.400 2.008 -0.818 1.00 0.00 C ATOM 1021 CD ARG A 843 9.965 3.334 -0.339 1.00 0.00 C ATOM 1022 NE ARG A 843 10.625 4.064 -1.417 1.00 0.00 N ATOM 1023 CZ ARG A 843 10.053 5.043 -2.118 1.00 0.00 C ATOM 1024 NH1 ARG A 843 8.799 5.394 -1.866 1.00 0.00 N ATOM 1025 NH2 ARG A 843 10.739 5.662 -3.070 1.00 0.00 N ATOM 0 H ARG A 843 9.957 1.353 2.649 1.00 0.00 H new ATOM 0 HA ARG A 843 7.986 2.681 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.091 0.752 0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 843 8.650 0.165 -0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 843 10.098 1.545 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 843 8.473 2.183 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.161 3.944 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 843 10.676 3.156 0.468 1.00 0.00 H new ATOM 0 HE ARG A 843 11.585 3.809 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.272 4.915 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 843 8.361 6.143 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 843 11.702 5.389 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 843 10.303 6.411 -3.608 1.00 0.00 H new ATOM 1039 N LEU A 844 7.187 -0.325 2.250 1.00 0.00 N ATOM 1040 CA LEU A 844 6.083 -1.238 2.507 1.00 0.00 C ATOM 1041 C LEU A 844 5.086 -0.612 3.473 1.00 0.00 C ATOM 1042 O LEU A 844 3.877 -0.727 3.291 1.00 0.00 O ATOM 1043 CB LEU A 844 6.610 -2.561 3.064 1.00 0.00 C ATOM 1044 CG LEU A 844 6.927 -3.629 2.013 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.480 -4.880 2.674 1.00 0.00 C ATOM 1046 CD2 LEU A 844 5.687 -3.962 1.193 1.00 0.00 C ATOM 0 H LEU A 844 8.091 -0.658 2.586 1.00 0.00 H new ATOM 0 HA LEU A 844 5.570 -1.436 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.514 -2.361 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 844 5.873 -2.964 3.758 1.00 0.00 H new ATOM 0 HG LEU A 844 7.686 -3.231 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.699 -5.628 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.394 -4.633 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.744 -5.279 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 844 5.934 -4.723 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 844 4.905 -4.338 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 844 5.334 -3.064 0.687 1.00 0.00 H new ATOM 1058 N LYS A 845 5.605 0.064 4.491 1.00 0.00 N ATOM 1059 CA LYS A 845 4.768 0.786 5.440 1.00 0.00 C ATOM 1060 C LYS A 845 3.884 1.790 4.702 1.00 0.00 C ATOM 1061 O LYS A 845 2.685 1.895 4.968 1.00 0.00 O ATOM 1062 CB LYS A 845 5.648 1.500 6.475 1.00 0.00 C ATOM 1063 CG LYS A 845 4.989 2.699 7.145 1.00 0.00 C ATOM 1064 CD LYS A 845 6.006 3.561 7.879 1.00 0.00 C ATOM 1065 CE LYS A 845 6.627 2.818 9.052 1.00 0.00 C ATOM 1066 NZ LYS A 845 6.990 3.738 10.163 1.00 0.00 N ATOM 0 H LYS A 845 6.605 0.127 4.680 1.00 0.00 H new ATOM 0 HA LYS A 845 4.124 0.077 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 845 5.937 0.783 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.565 1.831 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.477 3.300 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.231 2.353 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 845 6.790 3.869 7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.522 4.469 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 845 5.927 2.067 9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.517 2.287 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 7.441 3.197 10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.651 4.460 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.132 4.201 10.525 1.00 0.00 H new ATOM 1080 N GLY A 846 4.486 2.503 3.754 1.00 0.00 N ATOM 1081 CA GLY A 846 3.761 3.498 2.989 1.00 0.00 C ATOM 1082 C GLY A 846 2.725 2.894 2.057 1.00 0.00 C ATOM 1083 O GLY A 846 1.595 3.379 1.986 1.00 0.00 O ATOM 0 H GLY A 846 5.470 2.407 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.267 4.186 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.469 4.085 2.404 1.00 0.00 H new ATOM 1087 N VAL A 847 3.096 1.836 1.343 1.00 0.00 N ATOM 1088 CA VAL A 847 2.179 1.217 0.388 1.00 0.00 C ATOM 1089 C VAL A 847 1.063 0.463 1.104 1.00 0.00 C ATOM 1090 O VAL A 847 -0.061 0.409 0.616 1.00 0.00 O ATOM 1091 CB VAL A 847 2.899 0.272 -0.607 1.00 0.00 C ATOM 1092 CG1 VAL A 847 3.885 1.053 -1.460 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.600 -0.866 0.114 1.00 0.00 C ATOM 0 H VAL A 847 4.013 1.393 1.405 1.00 0.00 H new ATOM 0 HA VAL A 847 1.746 2.034 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 847 2.143 -0.167 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.383 0.375 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.352 1.820 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.628 1.524 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.094 -1.509 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.342 -0.459 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 847 2.868 -1.448 0.674 1.00 0.00 H new ATOM 1103 N PHE A 848 1.360 -0.101 2.272 1.00 0.00 N ATOM 1104 CA PHE A 848 0.338 -0.770 3.065 1.00 0.00 C ATOM 1105 C PHE A 848 -0.620 0.263 3.647 1.00 0.00 C ATOM 1106 O PHE A 848 -1.827 0.046 3.695 1.00 0.00 O ATOM 1107 CB PHE A 848 0.972 -1.618 4.170 1.00 0.00 C ATOM 1108 CG PHE A 848 1.266 -3.031 3.738 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.270 -3.820 3.182 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.537 -3.568 3.878 1.00 0.00 C ATOM 1111 CE1 PHE A 848 0.535 -5.115 2.776 1.00 0.00 C ATOM 1112 CE2 PHE A 848 2.808 -4.864 3.472 1.00 0.00 C ATOM 1113 CZ PHE A 848 1.804 -5.639 2.920 1.00 0.00 C ATOM 0 H PHE A 848 2.292 -0.107 2.686 1.00 0.00 H new ATOM 0 HA PHE A 848 -0.225 -1.443 2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 848 1.898 -1.145 4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.304 -1.640 5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.725 -3.418 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.325 -2.968 4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 848 -0.252 -5.717 2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 848 3.803 -5.269 3.586 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.012 -6.650 2.603 1.00 0.00 H new ATOM 1123 N ALA A 849 -0.077 1.406 4.056 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.898 2.521 4.513 1.00 0.00 C ATOM 1125 C ALA A 849 -1.752 3.049 3.363 1.00 0.00 C ATOM 1126 O ALA A 849 -2.889 3.479 3.562 1.00 0.00 O ATOM 1127 CB ALA A 849 -0.028 3.633 5.085 1.00 0.00 C ATOM 0 H ALA A 849 0.927 1.584 4.080 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.557 2.164 5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.661 4.455 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.545 3.249 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.656 3.992 4.316 1.00 0.00 H new ATOM 1133 N MET A 850 -1.189 3.004 2.161 1.00 0.00 N ATOM 1134 CA MET A 850 -1.912 3.375 0.952 1.00 0.00 C ATOM 1135 C MET A 850 -3.041 2.383 0.679 1.00 0.00 C ATOM 1136 O MET A 850 -4.150 2.771 0.313 1.00 0.00 O ATOM 1137 CB MET A 850 -0.948 3.426 -0.234 1.00 0.00 C ATOM 1138 CG MET A 850 -1.622 3.737 -1.556 1.00 0.00 C ATOM 1139 SD MET A 850 -1.972 5.493 -1.762 1.00 0.00 S ATOM 1140 CE MET A 850 -0.978 5.854 -3.209 1.00 0.00 C ATOM 0 H MET A 850 -0.226 2.711 1.998 1.00 0.00 H new ATOM 0 HA MET A 850 -2.352 4.362 1.093 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.186 4.180 -0.039 1.00 0.00 H new ATOM 0 HB3 MET A 850 -0.435 2.468 -0.315 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.984 3.400 -2.373 1.00 0.00 H new ATOM 0 HG3 MET A 850 -2.553 3.174 -1.626 1.00 0.00 H new ATOM 0 HE1 MET A 850 -1.084 6.907 -3.470 1.00 0.00 H new ATOM 0 HE2 MET A 850 0.068 5.637 -2.995 1.00 0.00 H new ATOM 0 HE3 MET A 850 -1.313 5.238 -4.044 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.753 1.099 0.870 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.759 0.054 0.711 1.00 0.00 C ATOM 1152 C LEU A 851 -4.724 0.058 1.892 1.00 0.00 C ATOM 1153 O LEU A 851 -5.749 -0.621 1.866 1.00 0.00 O ATOM 1154 CB LEU A 851 -3.094 -1.321 0.595 1.00 0.00 C ATOM 1155 CG LEU A 851 -2.152 -1.495 -0.601 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.320 -2.758 -0.446 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.938 -1.533 -1.901 1.00 0.00 C ATOM 0 H LEU A 851 -1.830 0.757 1.136 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.315 0.257 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.533 -1.513 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.874 -2.080 0.535 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.478 -0.639 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.657 -2.865 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.726 -2.693 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.980 -3.624 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -2.251 -1.657 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -3.638 -2.369 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -3.490 -0.601 -2.020 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.353 0.810 2.931 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.171 0.979 4.135 1.00 0.00 C ATOM 1171 C ASN A 852 -5.120 -0.276 4.990 1.00 0.00 C ATOM 1172 O ASN A 852 -6.021 -0.553 5.785 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.619 1.340 3.790 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.106 2.551 4.557 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.986 2.449 5.410 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.540 3.709 4.255 1.00 0.00 N ATOM 0 H ASN A 852 -3.471 1.322 2.961 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.755 1.810 4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.698 1.534 2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.265 0.490 4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -6.831 4.560 4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -5.813 3.750 3.541 1.00 0.00 H new ATOM 1183 N LEU A 853 -4.037 -1.019 4.826 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.809 -2.241 5.571 1.00 0.00 C ATOM 1185 C LEU A 853 -3.017 -1.936 6.836 1.00 0.00 C ATOM 1186 O LEU A 853 -1.784 -1.908 6.821 1.00 0.00 O ATOM 1187 CB LEU A 853 -3.063 -3.248 4.694 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.903 -4.429 4.212 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -3.317 -5.015 2.939 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.000 -5.490 5.296 1.00 0.00 C ATOM 0 H LEU A 853 -3.291 -0.788 4.170 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.766 -2.675 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.665 -2.725 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.210 -3.632 5.253 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.909 -4.071 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.928 -5.855 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -3.301 -4.252 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -2.301 -5.359 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -4.602 -6.324 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -3.001 -5.846 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -4.467 -5.062 6.183 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.737 -1.707 7.925 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.128 -1.299 9.187 1.00 0.00 C ATOM 1204 C VAL A 854 -2.164 -2.362 9.729 1.00 0.00 C ATOM 1205 O VAL A 854 -0.998 -2.057 9.973 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.188 -0.961 10.258 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -3.580 -0.098 11.351 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.392 -0.266 9.636 1.00 0.00 C ATOM 0 H VAL A 854 -4.752 -1.797 7.961 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.558 -0.396 8.969 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.531 -1.895 10.702 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.340 0.132 12.098 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -2.757 -0.635 11.823 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.206 0.829 10.917 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.123 -0.040 10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.071 0.660 9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -5.845 -0.920 8.891 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.620 -3.622 9.929 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.755 -4.704 10.415 1.00 0.00 C ATOM 1220 C PRO A 855 -0.501 -4.892 9.556 1.00 0.00 C ATOM 1221 O PRO A 855 0.576 -5.181 10.077 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.639 -5.956 10.350 1.00 0.00 C ATOM 1223 CG PRO A 855 -3.846 -5.564 9.562 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.003 -4.086 9.739 1.00 0.00 C ATOM 0 HA PRO A 855 -1.383 -4.488 11.417 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.112 -6.782 9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.917 -6.291 11.350 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -3.722 -5.818 8.509 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.730 -6.094 9.916 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.467 -3.623 8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.630 -3.848 10.598 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.643 -4.717 8.246 1.00 0.00 N ATOM 1233 CA GLY A 856 0.500 -4.825 7.354 1.00 0.00 C ATOM 1234 C GLY A 856 1.506 -3.716 7.594 1.00 0.00 C ATOM 1235 O GLY A 856 2.713 -3.962 7.727 1.00 0.00 O ATOM 0 H GLY A 856 -1.527 -4.503 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.983 -5.792 7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.159 -4.789 6.319 1.00 0.00 H new ATOM 1239 N LYS A 857 1.008 -2.491 7.671 1.00 0.00 N ATOM 1240 CA LYS A 857 1.847 -1.339 7.956 1.00 0.00 C ATOM 1241 C LYS A 857 2.472 -1.481 9.346 1.00 0.00 C ATOM 1242 O LYS A 857 3.620 -1.095 9.560 1.00 0.00 O ATOM 1243 CB LYS A 857 1.019 -0.050 7.841 1.00 0.00 C ATOM 1244 CG LYS A 857 1.544 1.121 8.656 1.00 0.00 C ATOM 1245 CD LYS A 857 0.424 1.812 9.415 1.00 0.00 C ATOM 1246 CE LYS A 857 0.464 3.318 9.225 1.00 0.00 C ATOM 1247 NZ LYS A 857 0.403 4.039 10.523 1.00 0.00 N ATOM 0 H LYS A 857 0.021 -2.270 7.539 1.00 0.00 H new ATOM 0 HA LYS A 857 2.656 -1.286 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.977 0.245 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.003 -0.263 8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.299 0.768 9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 857 2.034 1.836 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.538 1.428 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 857 0.504 1.577 10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 857 1.378 3.594 8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -0.372 3.628 8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 0.433 5.064 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -0.481 3.795 11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 1.214 3.763 11.112 1.00 0.00 H new ATOM 1261 N GLN A 858 1.711 -2.057 10.276 1.00 0.00 N ATOM 1262 CA GLN A 858 2.199 -2.345 11.614 1.00 0.00 C ATOM 1263 C GLN A 858 3.414 -3.265 11.571 1.00 0.00 C ATOM 1264 O GLN A 858 4.403 -3.023 12.262 1.00 0.00 O ATOM 1265 CB GLN A 858 1.087 -2.992 12.434 1.00 0.00 C ATOM 1266 CG GLN A 858 0.835 -2.299 13.752 1.00 0.00 C ATOM 1267 CD GLN A 858 0.472 -0.838 13.594 1.00 0.00 C ATOM 1268 OE1 GLN A 858 1.339 0.035 13.627 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.812 -0.561 13.430 1.00 0.00 N ATOM 0 H GLN A 858 0.742 -2.334 10.119 1.00 0.00 H new ATOM 0 HA GLN A 858 2.502 -1.407 12.079 1.00 0.00 H new ATOM 0 HB2 GLN A 858 0.167 -2.991 11.850 1.00 0.00 H new ATOM 0 HB3 GLN A 858 1.344 -4.034 12.623 1.00 0.00 H new ATOM 0 HG2 GLN A 858 0.030 -2.813 14.278 1.00 0.00 H new ATOM 0 HG3 GLN A 858 1.726 -2.381 14.375 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -1.498 -1.316 13.409 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.116 0.407 13.325 1.00 0.00 H new ATOM 1278 N LEU A 859 3.339 -4.309 10.750 1.00 0.00 N ATOM 1279 CA LEU A 859 4.453 -5.237 10.587 1.00 0.00 C ATOM 1280 C LEU A 859 5.691 -4.496 10.100 1.00 0.00 C ATOM 1281 O LEU A 859 6.796 -4.707 10.604 1.00 0.00 O ATOM 1282 CB LEU A 859 4.095 -6.353 9.601 1.00 0.00 C ATOM 1283 CG LEU A 859 2.967 -7.285 10.047 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.420 -8.063 8.859 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.457 -8.236 11.126 1.00 0.00 C ATOM 0 H LEU A 859 2.518 -4.533 10.187 1.00 0.00 H new ATOM 0 HA LEU A 859 4.663 -5.686 11.558 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.814 -5.899 8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.987 -6.952 9.417 1.00 0.00 H new ATOM 0 HG LEU A 859 2.162 -6.679 10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.618 -8.721 9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 859 2.032 -7.367 8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.218 -8.659 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.641 -8.891 11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.279 -8.837 10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.803 -7.663 11.986 1.00 0.00 H new ATOM 1297 N CYS A 860 5.495 -3.613 9.128 1.00 0.00 N ATOM 1298 CA CYS A 860 6.588 -2.817 8.583 1.00 0.00 C ATOM 1299 C CYS A 860 7.129 -1.835 9.628 1.00 0.00 C ATOM 1300 O CYS A 860 8.322 -1.522 9.645 1.00 0.00 O ATOM 1301 CB CYS A 860 6.117 -2.067 7.340 1.00 0.00 C ATOM 1302 SG CYS A 860 5.168 -3.084 6.185 1.00 0.00 S ATOM 0 H CYS A 860 4.587 -3.430 8.700 1.00 0.00 H new ATOM 0 HA CYS A 860 7.399 -3.491 8.306 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.505 -1.219 7.649 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.986 -1.661 6.822 1.00 0.00 H new ATOM 0 HG CYS A 860 4.167 -3.630 6.809 1.00 0.00 H new ATOM 1308 N GLU A 861 6.245 -1.359 10.500 1.00 0.00 N ATOM 1309 CA GLU A 861 6.635 -0.462 11.580 1.00 0.00 C ATOM 1310 C GLU A 861 7.562 -1.177 12.559 1.00 0.00 C ATOM 1311 O GLU A 861 8.617 -0.653 12.934 1.00 0.00 O ATOM 1312 CB GLU A 861 5.399 0.050 12.320 1.00 0.00 C ATOM 1313 CG GLU A 861 4.643 1.128 11.566 1.00 0.00 C ATOM 1314 CD GLU A 861 4.614 2.442 12.315 1.00 0.00 C ATOM 1315 OE1 GLU A 861 4.355 2.432 13.533 1.00 0.00 O ATOM 1316 OE2 GLU A 861 4.854 3.492 11.688 1.00 0.00 O ATOM 0 H GLU A 861 5.250 -1.582 10.478 1.00 0.00 H new ATOM 0 HA GLU A 861 7.165 0.385 11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.727 -0.787 12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.703 0.442 13.290 1.00 0.00 H new ATOM 0 HG2 GLU A 861 5.106 1.279 10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.622 0.793 11.385 1.00 0.00 H new ATOM 1323 N THR A 862 7.172 -2.378 12.968 1.00 0.00 N ATOM 1324 CA THR A 862 7.998 -3.171 13.862 1.00 0.00 C ATOM 1325 C THR A 862 9.304 -3.555 13.178 1.00 0.00 C ATOM 1326 O THR A 862 10.350 -3.617 13.816 1.00 0.00 O ATOM 1327 CB THR A 862 7.274 -4.443 14.334 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.855 -4.242 14.293 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.699 -4.812 15.747 1.00 0.00 C ATOM 0 H THR A 862 6.294 -2.820 12.695 1.00 0.00 H new ATOM 0 HA THR A 862 8.208 -2.555 14.737 1.00 0.00 H new ATOM 0 HB THR A 862 7.544 -5.260 13.665 1.00 0.00 H new ATOM 0 HG1 THR A 862 5.414 -5.074 14.021 1.00 0.00 H new ATOM 0 HG21 THR A 862 7.175 -5.715 16.061 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.774 -4.991 15.769 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.453 -3.995 16.426 1.00 0.00 H new ATOM 1337 N LEU A 863 9.235 -3.789 11.870 1.00 0.00 N ATOM 1338 CA LEU A 863 10.416 -4.118 11.083 1.00 0.00 C ATOM 1339 C LEU A 863 11.470 -3.021 11.203 1.00 0.00 C ATOM 1340 O LEU A 863 12.625 -3.298 11.522 1.00 0.00 O ATOM 1341 CB LEU A 863 10.041 -4.326 9.612 1.00 0.00 C ATOM 1342 CG LEU A 863 10.389 -5.704 9.034 1.00 0.00 C ATOM 1343 CD1 LEU A 863 10.340 -5.671 7.513 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.764 -6.160 9.507 1.00 0.00 C ATOM 0 H LEU A 863 8.369 -3.756 11.333 1.00 0.00 H new ATOM 0 HA LEU A 863 10.834 -5.045 11.474 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.969 -4.164 9.501 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.542 -3.563 9.015 1.00 0.00 H new ATOM 0 HG LEU A 863 9.648 -6.418 9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.589 -6.656 7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 863 9.338 -5.393 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 863 11.058 -4.940 7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.988 -7.139 9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.517 -5.443 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.772 -6.224 10.595 1.00 0.00 H new ATOM 1356 N GLU A 864 11.060 -1.776 10.972 1.00 0.00 N ATOM 1357 CA GLU A 864 11.977 -0.644 11.053 1.00 0.00 C ATOM 1358 C GLU A 864 12.521 -0.497 12.479 1.00 0.00 C ATOM 1359 O GLU A 864 13.694 -0.177 12.680 1.00 0.00 O ATOM 1360 CB GLU A 864 11.283 0.643 10.569 1.00 0.00 C ATOM 1361 CG GLU A 864 10.725 1.519 11.680 1.00 0.00 C ATOM 1362 CD GLU A 864 9.648 2.472 11.204 1.00 0.00 C ATOM 1363 OE1 GLU A 864 9.601 2.777 9.997 1.00 0.00 O ATOM 1364 OE2 GLU A 864 8.835 2.923 12.039 1.00 0.00 O ATOM 0 H GLU A 864 10.101 -1.527 10.728 1.00 0.00 H new ATOM 0 HA GLU A 864 12.827 -0.827 10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 864 11.996 1.227 9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.470 0.370 9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 864 10.317 0.883 12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 864 11.538 2.093 12.125 1.00 0.00 H new ATOM 1371 N HIS A 865 11.676 -0.774 13.468 1.00 0.00 N ATOM 1372 CA HIS A 865 12.099 -0.731 14.866 1.00 0.00 C ATOM 1373 C HIS A 865 13.105 -1.845 15.158 1.00 0.00 C ATOM 1374 O HIS A 865 14.068 -1.645 15.891 1.00 0.00 O ATOM 1375 CB HIS A 865 10.885 -0.855 15.793 1.00 0.00 C ATOM 1376 CG HIS A 865 11.105 -0.296 17.170 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.544 0.888 17.598 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.825 -0.764 18.220 1.00 0.00 C ATOM 1379 CE1 HIS A 865 10.908 1.123 18.842 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.685 0.139 19.244 1.00 0.00 N ATOM 0 H HIS A 865 10.698 -1.030 13.329 1.00 0.00 H new ATOM 0 HA HIS A 865 12.583 0.228 15.050 1.00 0.00 H new ATOM 0 HB2 HIS A 865 10.038 -0.343 15.336 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.613 -1.907 15.879 1.00 0.00 H new ATOM 0 HD2 HIS A 865 12.401 -1.677 18.245 1.00 0.00 H new ATOM 0 HE1 HIS A 865 10.618 1.979 19.433 1.00 0.00 H new ATOM 0 HE2 HIS A 865 12.113 0.061 20.166 1.00 0.00 H new ATOM 1389 N LEU A 866 12.881 -3.012 14.577 1.00 0.00 N ATOM 1390 CA LEU A 866 13.779 -4.145 14.764 1.00 0.00 C ATOM 1391 C LEU A 866 15.129 -3.865 14.115 1.00 0.00 C ATOM 1392 O LEU A 866 16.163 -4.344 14.580 1.00 0.00 O ATOM 1393 CB LEU A 866 13.165 -5.417 14.179 1.00 0.00 C ATOM 1394 CG LEU A 866 12.052 -6.041 15.020 1.00 0.00 C ATOM 1395 CD1 LEU A 866 11.107 -6.839 14.142 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.639 -6.921 16.111 1.00 0.00 C ATOM 0 H LEU A 866 12.084 -3.202 13.970 1.00 0.00 H new ATOM 0 HA LEU A 866 13.929 -4.292 15.833 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.768 -5.190 13.190 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.955 -6.155 14.044 1.00 0.00 H new ATOM 0 HG LEU A 866 11.486 -5.239 15.493 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.321 -7.276 14.757 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.661 -6.181 13.396 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.660 -7.634 13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.832 -7.357 16.700 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.229 -7.718 15.658 1.00 0.00 H new ATOM 0 HD23 LEU A 866 13.277 -6.320 16.759 1.00 0.00 H new ATOM 1408 N ILE A 867 15.116 -3.067 13.054 1.00 0.00 N ATOM 1409 CA ILE A 867 16.346 -2.694 12.371 1.00 0.00 C ATOM 1410 C ILE A 867 17.128 -1.712 13.234 1.00 0.00 C ATOM 1411 O ILE A 867 18.355 -1.782 13.332 1.00 0.00 O ATOM 1412 CB ILE A 867 16.062 -2.065 10.984 1.00 0.00 C ATOM 1413 CG1 ILE A 867 15.514 -3.123 10.023 1.00 0.00 C ATOM 1414 CG2 ILE A 867 17.319 -1.430 10.401 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.603 -2.561 8.952 1.00 0.00 C ATOM 0 H ILE A 867 14.269 -2.667 12.650 1.00 0.00 H new ATOM 0 HA ILE A 867 16.933 -3.599 12.211 1.00 0.00 H new ATOM 0 HB ILE A 867 15.315 -1.283 11.116 1.00 0.00 H new ATOM 0 HG12 ILE A 867 16.350 -3.634 9.545 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.967 -3.872 10.595 1.00 0.00 H new ATOM 0 HG21 ILE A 867 17.090 -0.997 9.427 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.676 -0.648 11.071 1.00 0.00 H new ATOM 0 HG23 ILE A 867 18.091 -2.191 10.287 1.00 0.00 H new ATOM 0 HD11 ILE A 867 14.254 -3.370 8.310 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.747 -2.075 9.421 1.00 0.00 H new ATOM 0 HD13 ILE A 867 15.151 -1.833 8.354 1.00 0.00 H new ATOM 1427 N ARG A 868 16.396 -0.814 13.879 1.00 0.00 N ATOM 1428 CA ARG A 868 16.990 0.164 14.780 1.00 0.00 C ATOM 1429 C ARG A 868 17.633 -0.525 15.987 1.00 0.00 C ATOM 1430 O ARG A 868 18.672 -0.087 16.481 1.00 0.00 O ATOM 1431 CB ARG A 868 15.924 1.185 15.219 1.00 0.00 C ATOM 1432 CG ARG A 868 15.333 0.942 16.600 1.00 0.00 C ATOM 1433 CD ARG A 868 16.045 1.759 17.665 1.00 0.00 C ATOM 1434 NE ARG A 868 15.190 2.048 18.814 1.00 0.00 N ATOM 1435 CZ ARG A 868 14.762 3.269 19.127 1.00 0.00 C ATOM 1436 NH1 ARG A 868 15.127 4.307 18.388 1.00 0.00 N ATOM 1437 NH2 ARG A 868 13.977 3.454 20.178 1.00 0.00 N ATOM 0 H ARG A 868 15.382 -0.743 13.794 1.00 0.00 H new ATOM 0 HA ARG A 868 17.781 0.697 14.252 1.00 0.00 H new ATOM 0 HB2 ARG A 868 16.366 2.181 15.199 1.00 0.00 H new ATOM 0 HB3 ARG A 868 15.115 1.181 14.488 1.00 0.00 H new ATOM 0 HG2 ARG A 868 14.273 1.197 16.593 1.00 0.00 H new ATOM 0 HG3 ARG A 868 15.404 -0.118 16.845 1.00 0.00 H new ATOM 0 HD2 ARG A 868 16.930 1.219 18.002 1.00 0.00 H new ATOM 0 HD3 ARG A 868 16.391 2.696 17.229 1.00 0.00 H new ATOM 0 HE ARG A 868 14.905 1.271 19.410 1.00 0.00 H new ATOM 0 HH11 ARG A 868 15.735 4.170 17.581 1.00 0.00 H new ATOM 0 HH12 ARG A 868 14.800 5.243 18.627 1.00 0.00 H new ATOM 0 HH21 ARG A 868 13.698 2.659 20.752 1.00 0.00 H new ATOM 0 HH22 ARG A 868 13.652 4.392 20.413 1.00 0.00 H new ATOM 1451 N GLU A 869 17.010 -1.606 16.448 1.00 0.00 N ATOM 1452 CA GLU A 869 17.510 -2.352 17.599 1.00 0.00 C ATOM 1453 C GLU A 869 18.561 -3.375 17.171 1.00 0.00 C ATOM 1454 O GLU A 869 19.195 -4.009 18.012 1.00 0.00 O ATOM 1455 CB GLU A 869 16.359 -3.066 18.310 1.00 0.00 C ATOM 1456 CG GLU A 869 15.220 -2.147 18.718 1.00 0.00 C ATOM 1457 CD GLU A 869 15.446 -1.484 20.061 1.00 0.00 C ATOM 1458 OE1 GLU A 869 15.934 -2.156 20.991 1.00 0.00 O ATOM 1459 OE2 GLU A 869 15.132 -0.286 20.193 1.00 0.00 O ATOM 0 H GLU A 869 16.155 -1.986 16.041 1.00 0.00 H new ATOM 0 HA GLU A 869 17.972 -1.642 18.285 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.968 -3.844 17.655 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.747 -3.563 19.199 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.091 -1.378 17.957 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.293 -2.720 18.753 1.00 0.00 H new ATOM 1466 N LYS A 870 18.727 -3.524 15.856 1.00 0.00 N ATOM 1467 CA LYS A 870 19.678 -4.477 15.280 1.00 0.00 C ATOM 1468 C LYS A 870 19.320 -5.911 15.665 1.00 0.00 C ATOM 1469 O LYS A 870 20.199 -6.746 15.890 1.00 0.00 O ATOM 1470 CB LYS A 870 21.117 -4.149 15.705 1.00 0.00 C ATOM 1471 CG LYS A 870 21.716 -2.953 14.977 1.00 0.00 C ATOM 1472 CD LYS A 870 21.857 -3.218 13.486 1.00 0.00 C ATOM 1473 CE LYS A 870 21.625 -1.958 12.664 1.00 0.00 C ATOM 1474 NZ LYS A 870 22.545 -0.854 13.052 1.00 0.00 N ATOM 0 H LYS A 870 18.207 -2.989 15.161 1.00 0.00 H new ATOM 0 HA LYS A 870 19.616 -4.389 14.195 1.00 0.00 H new ATOM 0 HB2 LYS A 870 21.134 -3.955 16.778 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.746 -5.022 15.529 1.00 0.00 H new ATOM 0 HG2 LYS A 870 21.085 -2.078 15.133 1.00 0.00 H new ATOM 0 HG3 LYS A 870 22.693 -2.721 15.400 1.00 0.00 H new ATOM 0 HD2 LYS A 870 22.853 -3.609 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.144 -3.985 13.184 1.00 0.00 H new ATOM 0 HE2 LYS A 870 21.760 -2.186 11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 870 20.593 -1.630 12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 22.457 -0.073 12.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 22.297 -0.513 14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 23.525 -1.203 13.054 1.00 0.00 H new ATOM 1488 N ASP A 871 18.026 -6.191 15.725 1.00 0.00 N ATOM 1489 CA ASP A 871 17.543 -7.528 16.044 1.00 0.00 C ATOM 1490 C ASP A 871 17.383 -8.330 14.762 1.00 0.00 C ATOM 1491 O ASP A 871 16.289 -8.425 14.210 1.00 0.00 O ATOM 1492 CB ASP A 871 16.210 -7.451 16.793 1.00 0.00 C ATOM 1493 CG ASP A 871 15.936 -8.689 17.626 1.00 0.00 C ATOM 1494 OD1 ASP A 871 15.660 -9.760 17.046 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.988 -8.596 18.869 1.00 0.00 O ATOM 0 H ASP A 871 17.288 -5.507 15.556 1.00 0.00 H new ATOM 0 HA ASP A 871 18.268 -8.024 16.689 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.212 -6.575 17.441 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.401 -7.315 16.075 1.00 0.00 H new ATOM 1500 N VAL A 872 18.492 -8.884 14.285 1.00 0.00 N ATOM 1501 CA VAL A 872 18.517 -9.628 13.022 1.00 0.00 C ATOM 1502 C VAL A 872 17.437 -10.721 12.964 1.00 0.00 C ATOM 1503 O VAL A 872 16.656 -10.759 12.010 1.00 0.00 O ATOM 1504 CB VAL A 872 19.903 -10.260 12.756 1.00 0.00 C ATOM 1505 CG1 VAL A 872 20.053 -10.626 11.288 1.00 0.00 C ATOM 1506 CG2 VAL A 872 21.014 -9.316 13.187 1.00 0.00 C ATOM 0 H VAL A 872 19.395 -8.833 14.756 1.00 0.00 H new ATOM 0 HA VAL A 872 18.305 -8.896 12.243 1.00 0.00 H new ATOM 0 HB VAL A 872 19.980 -11.173 13.346 1.00 0.00 H new ATOM 0 HG11 VAL A 872 21.035 -11.069 11.122 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.280 -11.343 11.011 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.952 -9.729 10.677 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.981 -9.779 12.992 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.938 -8.384 12.626 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.921 -9.107 14.253 1.00 0.00 H new ATOM 1516 N PRO A 873 17.368 -11.627 13.968 1.00 0.00 N ATOM 1517 CA PRO A 873 16.337 -12.673 14.013 1.00 0.00 C ATOM 1518 C PRO A 873 14.920 -12.097 13.991 1.00 0.00 C ATOM 1519 O PRO A 873 14.012 -12.683 13.403 1.00 0.00 O ATOM 1520 CB PRO A 873 16.602 -13.406 15.337 1.00 0.00 C ATOM 1521 CG PRO A 873 17.488 -12.499 16.118 1.00 0.00 C ATOM 1522 CD PRO A 873 18.288 -11.732 15.110 1.00 0.00 C ATOM 0 HA PRO A 873 16.393 -13.325 13.141 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.672 -13.603 15.871 1.00 0.00 H new ATOM 0 HB3 PRO A 873 17.080 -14.370 15.164 1.00 0.00 H new ATOM 0 HG2 PRO A 873 16.902 -11.826 16.745 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.139 -13.067 16.782 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.578 -10.751 15.487 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.206 -12.254 14.842 1.00 0.00 H new ATOM 1530 N GLY A 874 14.735 -10.945 14.625 1.00 0.00 N ATOM 1531 CA GLY A 874 13.446 -10.286 14.593 1.00 0.00 C ATOM 1532 C GLY A 874 13.132 -9.719 13.225 1.00 0.00 C ATOM 1533 O GLY A 874 12.006 -9.842 12.736 1.00 0.00 O ATOM 0 H GLY A 874 15.454 -10.457 15.159 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.669 -10.995 14.878 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.431 -9.483 15.330 1.00 0.00 H new ATOM 1537 N ILE A 875 14.139 -9.112 12.606 1.00 0.00 N ATOM 1538 CA ILE A 875 14.005 -8.558 11.267 1.00 0.00 C ATOM 1539 C ILE A 875 13.564 -9.638 10.285 1.00 0.00 C ATOM 1540 O ILE A 875 12.556 -9.485 9.596 1.00 0.00 O ATOM 1541 CB ILE A 875 15.326 -7.916 10.776 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.672 -6.700 11.635 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.221 -7.514 9.308 1.00 0.00 C ATOM 1544 CD1 ILE A 875 17.138 -6.330 11.593 1.00 0.00 C ATOM 0 H ILE A 875 15.065 -8.991 13.017 1.00 0.00 H new ATOM 0 HA ILE A 875 13.246 -7.777 11.314 1.00 0.00 H new ATOM 0 HB ILE A 875 16.122 -8.654 10.871 1.00 0.00 H new ATOM 0 HG12 ILE A 875 15.081 -5.848 11.300 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.385 -6.901 12.667 1.00 0.00 H new ATOM 0 HG21 ILE A 875 16.161 -7.065 8.986 1.00 0.00 H new ATOM 0 HG22 ILE A 875 15.014 -8.397 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.413 -6.792 9.185 1.00 0.00 H new ATOM 0 HD11 ILE A 875 17.312 -5.459 12.225 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.735 -7.167 11.956 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.425 -6.097 10.568 1.00 0.00 H new ATOM 1556 N GLU A 876 14.301 -10.746 10.251 1.00 0.00 N ATOM 1557 CA GLU A 876 13.985 -11.833 9.334 1.00 0.00 C ATOM 1558 C GLU A 876 12.640 -12.472 9.684 1.00 0.00 C ATOM 1559 O GLU A 876 11.899 -12.893 8.795 1.00 0.00 O ATOM 1560 CB GLU A 876 15.102 -12.882 9.321 1.00 0.00 C ATOM 1561 CG GLU A 876 15.343 -13.559 10.659 1.00 0.00 C ATOM 1562 CD GLU A 876 15.081 -15.052 10.619 1.00 0.00 C ATOM 1563 OE1 GLU A 876 14.316 -15.504 9.740 1.00 0.00 O ATOM 1564 OE2 GLU A 876 15.636 -15.780 11.467 1.00 0.00 O ATOM 0 H GLU A 876 15.114 -10.912 10.844 1.00 0.00 H new ATOM 0 HA GLU A 876 13.906 -11.413 8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.859 -13.644 8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 876 16.027 -12.406 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.373 -13.384 10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.701 -13.102 11.413 1.00 0.00 H new ATOM 1571 N LYS A 877 12.321 -12.518 10.977 1.00 0.00 N ATOM 1572 CA LYS A 877 11.036 -13.039 11.432 1.00 0.00 C ATOM 1573 C LYS A 877 9.898 -12.235 10.821 1.00 0.00 C ATOM 1574 O LYS A 877 8.961 -12.796 10.256 1.00 0.00 O ATOM 1575 CB LYS A 877 10.941 -12.977 12.960 1.00 0.00 C ATOM 1576 CG LYS A 877 10.098 -14.085 13.575 1.00 0.00 C ATOM 1577 CD LYS A 877 8.605 -13.847 13.380 1.00 0.00 C ATOM 1578 CE LYS A 877 8.079 -12.749 14.294 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.615 -12.880 14.540 1.00 0.00 N ATOM 0 H LYS A 877 12.936 -12.200 11.726 1.00 0.00 H new ATOM 0 HA LYS A 877 10.957 -14.078 11.113 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.946 -13.025 13.378 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.522 -12.013 13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 877 10.374 -15.040 13.128 1.00 0.00 H new ATOM 0 HG3 LYS A 877 10.317 -14.157 14.640 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.413 -13.577 12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 877 8.062 -14.772 13.574 1.00 0.00 H new ATOM 0 HE2 LYS A 877 8.611 -12.783 15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 877 8.286 -11.776 13.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 6.342 -12.273 15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.093 -12.589 13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 6.388 -13.870 14.764 1.00 0.00 H new ATOM 1593 N TYR A 878 9.996 -10.918 10.923 1.00 0.00 N ATOM 1594 CA TYR A 878 8.946 -10.045 10.431 1.00 0.00 C ATOM 1595 C TYR A 878 8.932 -10.009 8.911 1.00 0.00 C ATOM 1596 O TYR A 878 7.875 -9.854 8.306 1.00 0.00 O ATOM 1597 CB TYR A 878 9.082 -8.644 11.018 1.00 0.00 C ATOM 1598 CG TYR A 878 8.225 -8.453 12.246 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.562 -9.057 13.451 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.071 -7.683 12.199 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.776 -8.897 14.574 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.277 -7.520 13.319 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.636 -8.128 14.504 1.00 0.00 C ATOM 1604 OH TYR A 878 5.849 -7.971 15.624 1.00 0.00 O ATOM 0 H TYR A 878 10.790 -10.433 11.341 1.00 0.00 H new ATOM 0 HA TYR A 878 7.989 -10.451 10.759 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.125 -8.459 11.273 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.803 -7.908 10.264 1.00 0.00 H new ATOM 0 HD1 TYR A 878 9.455 -9.662 13.510 1.00 0.00 H new ATOM 0 HD2 TYR A 878 6.789 -7.204 11.273 1.00 0.00 H new ATOM 0 HE1 TYR A 878 8.054 -9.373 15.503 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.381 -6.920 13.266 1.00 0.00 H new ATOM 0 HH TYR A 878 5.083 -7.399 15.408 1.00 0.00 H new ATOM 1614 N ILE A 879 10.099 -10.151 8.294 1.00 0.00 N ATOM 1615 CA ILE A 879 10.167 -10.305 6.847 1.00 0.00 C ATOM 1616 C ILE A 879 9.373 -11.543 6.426 1.00 0.00 C ATOM 1617 O ILE A 879 8.607 -11.508 5.464 1.00 0.00 O ATOM 1618 CB ILE A 879 11.628 -10.422 6.350 1.00 0.00 C ATOM 1619 CG1 ILE A 879 12.335 -9.069 6.453 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.680 -10.939 4.918 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.839 -9.158 6.303 1.00 0.00 C ATOM 0 H ILE A 879 11.002 -10.163 8.768 1.00 0.00 H new ATOM 0 HA ILE A 879 9.734 -9.414 6.393 1.00 0.00 H new ATOM 0 HB ILE A 879 12.145 -11.139 6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.941 -8.403 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 879 12.100 -8.618 7.417 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.718 -11.011 4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 879 11.216 -11.924 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 879 11.143 -10.252 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 879 14.273 -8.161 6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 879 14.246 -9.798 7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 879 14.083 -9.579 5.328 1.00 0.00 H new ATOM 1633 N SER A 880 9.539 -12.625 7.181 1.00 0.00 N ATOM 1634 CA SER A 880 8.796 -13.854 6.931 1.00 0.00 C ATOM 1635 C SER A 880 7.312 -13.649 7.222 1.00 0.00 C ATOM 1636 O SER A 880 6.455 -14.179 6.519 1.00 0.00 O ATOM 1637 CB SER A 880 9.343 -14.996 7.794 1.00 0.00 C ATOM 1638 OG SER A 880 10.760 -15.013 7.785 1.00 0.00 O ATOM 0 H SER A 880 10.182 -12.675 7.971 1.00 0.00 H new ATOM 0 HA SER A 880 8.916 -14.118 5.880 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.985 -14.885 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 880 8.963 -15.948 7.424 1.00 0.00 H new ATOM 0 HG SER A 880 11.099 -14.416 8.484 1.00 0.00 H new ATOM 1644 N ASP A 881 7.018 -12.869 8.255 1.00 0.00 N ATOM 1645 CA ASP A 881 5.640 -12.565 8.635 1.00 0.00 C ATOM 1646 C ASP A 881 4.952 -11.744 7.548 1.00 0.00 C ATOM 1647 O ASP A 881 3.761 -11.894 7.297 1.00 0.00 O ATOM 1648 CB ASP A 881 5.617 -11.792 9.959 1.00 0.00 C ATOM 1649 CG ASP A 881 4.877 -12.523 11.061 1.00 0.00 C ATOM 1650 OD1 ASP A 881 3.712 -12.914 10.846 1.00 0.00 O ATOM 1651 OD2 ASP A 881 5.457 -12.700 12.156 1.00 0.00 O ATOM 0 H ASP A 881 7.721 -12.431 8.850 1.00 0.00 H new ATOM 0 HA ASP A 881 5.102 -13.505 8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.641 -11.603 10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 881 5.149 -10.821 9.798 1.00 0.00 H new ATOM 1656 N ILE A 882 5.714 -10.874 6.904 1.00 0.00 N ATOM 1657 CA ILE A 882 5.203 -10.086 5.790 1.00 0.00 C ATOM 1658 C ILE A 882 5.046 -10.966 4.551 1.00 0.00 C ATOM 1659 O ILE A 882 4.112 -10.795 3.767 1.00 0.00 O ATOM 1660 CB ILE A 882 6.126 -8.881 5.483 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.996 -7.832 6.591 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.795 -8.266 4.128 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.978 -6.686 6.468 1.00 0.00 C ATOM 0 H ILE A 882 6.692 -10.694 7.133 1.00 0.00 H new ATOM 0 HA ILE A 882 4.226 -9.694 6.073 1.00 0.00 H new ATOM 0 HB ILE A 882 7.156 -9.237 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.982 -7.432 6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 882 6.138 -8.318 7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 882 6.459 -7.422 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.928 -9.014 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.761 -7.921 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.824 -5.985 7.288 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.996 -7.073 6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.822 -6.174 5.519 1.00 0.00 H new ATOM 1675 N ASP A 883 5.943 -11.935 4.406 1.00 0.00 N ATOM 1676 CA ASP A 883 5.923 -12.840 3.263 1.00 0.00 C ATOM 1677 C ASP A 883 4.716 -13.745 3.368 1.00 0.00 C ATOM 1678 O ASP A 883 3.962 -13.920 2.414 1.00 0.00 O ATOM 1679 CB ASP A 883 7.209 -13.671 3.226 1.00 0.00 C ATOM 1680 CG ASP A 883 7.133 -14.867 2.289 1.00 0.00 C ATOM 1681 OD1 ASP A 883 7.421 -14.713 1.083 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.807 -15.976 2.764 1.00 0.00 O ATOM 0 H ASP A 883 6.697 -12.114 5.070 1.00 0.00 H new ATOM 0 HA ASP A 883 5.862 -12.262 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 883 8.037 -13.031 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.434 -14.022 4.233 1.00 0.00 H new ATOM 1687 N SER A 884 4.531 -14.289 4.556 1.00 0.00 N ATOM 1688 CA SER A 884 3.388 -15.122 4.851 1.00 0.00 C ATOM 1689 C SER A 884 2.101 -14.312 4.717 1.00 0.00 C ATOM 1690 O SER A 884 1.098 -14.799 4.199 1.00 0.00 O ATOM 1691 CB SER A 884 3.535 -15.687 6.262 1.00 0.00 C ATOM 1692 OG SER A 884 3.939 -14.687 7.174 1.00 0.00 O ATOM 0 H SER A 884 5.170 -14.164 5.341 1.00 0.00 H new ATOM 0 HA SER A 884 3.338 -15.949 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.586 -16.116 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 884 4.266 -16.496 6.258 1.00 0.00 H new ATOM 0 HG SER A 884 4.917 -14.632 7.187 1.00 0.00 H new ATOM 1698 N TYR A 885 2.165 -13.056 5.153 1.00 0.00 N ATOM 1699 CA TYR A 885 1.028 -12.141 5.086 1.00 0.00 C ATOM 1700 C TYR A 885 0.597 -11.945 3.653 1.00 0.00 C ATOM 1701 O TYR A 885 -0.549 -12.208 3.272 1.00 0.00 O ATOM 1702 CB TYR A 885 1.416 -10.775 5.644 1.00 0.00 C ATOM 1703 CG TYR A 885 0.251 -9.992 6.204 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.491 -10.474 7.272 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.110 -8.774 5.647 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.565 -9.763 7.768 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.181 -8.056 6.140 1.00 0.00 C ATOM 1708 CZ TYR A 885 -1.906 -8.555 7.200 1.00 0.00 C ATOM 1709 OH TYR A 885 -2.977 -7.848 7.689 1.00 0.00 O ATOM 0 H TYR A 885 3.004 -12.645 5.562 1.00 0.00 H new ATOM 0 HA TYR A 885 0.216 -12.574 5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 885 2.161 -10.911 6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.888 -10.191 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.225 -11.419 7.722 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.456 -8.381 4.815 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.136 -10.152 8.598 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.449 -7.108 5.697 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.233 -8.206 8.565 1.00 0.00 H new ATOM 1719 N VAL A 886 1.549 -11.484 2.872 1.00 0.00 N ATOM 1720 CA VAL A 886 1.347 -11.187 1.478 1.00 0.00 C ATOM 1721 C VAL A 886 0.900 -12.440 0.727 1.00 0.00 C ATOM 1722 O VAL A 886 0.042 -12.374 -0.149 1.00 0.00 O ATOM 1723 CB VAL A 886 2.657 -10.602 0.906 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.965 -11.108 -0.495 1.00 0.00 C ATOM 1725 CG2 VAL A 886 2.609 -9.082 0.919 1.00 0.00 C ATOM 0 H VAL A 886 2.499 -11.303 3.196 1.00 0.00 H new ATOM 0 HA VAL A 886 0.554 -10.449 1.357 1.00 0.00 H new ATOM 0 HB VAL A 886 3.465 -10.945 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.896 -10.664 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.065 -12.193 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.154 -10.830 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 886 3.539 -8.685 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.772 -8.739 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 886 2.481 -8.731 1.943 1.00 0.00 H new ATOM 1735 N LYS A 887 1.446 -13.586 1.120 1.00 0.00 N ATOM 1736 CA LYS A 887 1.084 -14.859 0.510 1.00 0.00 C ATOM 1737 C LYS A 887 -0.399 -15.169 0.713 1.00 0.00 C ATOM 1738 O LYS A 887 -1.075 -15.619 -0.213 1.00 0.00 O ATOM 1739 CB LYS A 887 1.933 -15.990 1.092 1.00 0.00 C ATOM 1740 CG LYS A 887 2.952 -16.553 0.114 1.00 0.00 C ATOM 1741 CD LYS A 887 4.298 -16.785 0.778 1.00 0.00 C ATOM 1742 CE LYS A 887 4.378 -18.159 1.421 1.00 0.00 C ATOM 1743 NZ LYS A 887 5.476 -18.233 2.419 1.00 0.00 N ATOM 0 H LYS A 887 2.143 -13.658 1.861 1.00 0.00 H new ATOM 0 HA LYS A 887 1.275 -14.780 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.455 -15.623 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.275 -16.794 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.582 -17.492 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.073 -15.865 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 887 5.091 -16.683 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 887 4.467 -16.019 1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 887 3.429 -18.390 1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.535 -18.913 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.318 -18.654 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 5.704 -17.276 2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 5.176 -18.821 3.223 1.00 0.00 H new ATOM 1757 N SER A 888 -0.905 -14.932 1.920 1.00 0.00 N ATOM 1758 CA SER A 888 -2.308 -15.201 2.213 1.00 0.00 C ATOM 1759 C SER A 888 -3.227 -14.170 1.557 1.00 0.00 C ATOM 1760 O SER A 888 -4.387 -14.462 1.259 1.00 0.00 O ATOM 1761 CB SER A 888 -2.553 -15.221 3.722 1.00 0.00 C ATOM 1762 OG SER A 888 -1.564 -14.478 4.417 1.00 0.00 O ATOM 0 H SER A 888 -0.370 -14.558 2.704 1.00 0.00 H new ATOM 0 HA SER A 888 -2.541 -16.182 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.539 -14.808 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 888 -2.554 -16.251 4.078 1.00 0.00 H new ATOM 0 HG SER A 888 -1.406 -13.629 3.953 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.718 -12.963 1.343 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.523 -11.900 0.752 1.00 0.00 C ATOM 1770 C LEU A 889 -3.451 -11.927 -0.775 1.00 0.00 C ATOM 1771 O LEU A 889 -4.243 -11.267 -1.450 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.085 -10.534 1.287 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.967 -9.968 2.404 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.240 -10.027 3.739 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.382 -8.540 2.084 1.00 0.00 C ATOM 0 H LEU A 889 -1.759 -12.696 1.568 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.561 -12.071 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.063 -10.615 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.070 -9.824 0.460 1.00 0.00 H new ATOM 0 HG LEU A 889 -4.867 -10.579 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -3.882 -9.621 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -2.993 -11.062 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.323 -9.440 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -5.008 -8.154 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.493 -7.916 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -4.942 -8.525 1.149 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.505 -12.687 -1.311 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.380 -12.853 -2.755 1.00 0.00 C ATOM 1789 C LEU A 890 -3.122 -14.104 -3.214 1.00 0.00 C ATOM 1790 O LEU A 890 -4.083 -14.518 -2.529 1.00 0.00 O ATOM 1791 CB LEU A 890 -0.909 -12.951 -3.162 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.133 -11.632 -3.143 1.00 0.00 C ATOM 1793 CD1 LEU A 890 1.182 -11.774 -3.891 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.966 -10.509 -3.739 1.00 0.00 C ATOM 1795 OXT LEU A 890 -2.739 -14.677 -4.255 1.00 0.00 O ATOM 0 H LEU A 890 -1.811 -13.200 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 890 -2.822 -11.979 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -0.411 -13.655 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -0.855 -13.370 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 890 0.087 -11.382 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.719 -10.826 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 890 1.788 -12.547 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.984 -12.052 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -0.395 -9.581 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -1.220 -10.753 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -1.881 -10.387 -3.159 1.00 0.00 H new TER 1807 LEU A 890