USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=24 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 862 THR OG1 : rot 180:sc= 0.0125 USER MOD Set 1.2: A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 775 MET CE :methyl -135:sc= -0.109 (180deg=-1.48!) USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 781 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.5!) USER MOD Single : A 786 GLN : amide:sc= -0.0207 K(o=-0.021,f=-2.4) USER MOD Single : A 789 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.062) USER MOD Single : A 793 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD Single : A 802 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 804 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.19) USER MOD Single : A 806 HIS :FLIP no HD1:sc= -0.0314 F(o=-0.76,f=-0.031) USER MOD Single : A 808 SER OG : rot -170:sc= -0.339 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot 62:sc= -0.431 USER MOD Single : A 817 THR OG1 : rot -85:sc= 1.27 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 TYR OH : rot 180:sc= 0 USER MOD Single : A 827 THR OG1 : rot 61:sc= 1.16 USER MOD Single : A 831 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 832 SER OG : rot 180:sc= -0.11 USER MOD Single : A 839 GLN : amide:sc= -0.677 K(o=-0.68,f=-1.5!) USER MOD Single : A 840 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 842 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 845 LYS NZ :NH3+ -131:sc= 2.16 (180deg=-0.437) USER MOD Single : A 850 MET CE :methyl -112:sc= 0 (180deg=-1.26) USER MOD Single : A 852 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 857 LYS NZ :NH3+ 174:sc= 1.08 (180deg=1.04) USER MOD Single : A 858 GLN : amide:sc= -0.815 K(o=-0.82,f=-3.2!) USER MOD Single : A 860 CYS SG : rot 55:sc= -0.895! USER MOD Single : A 865 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ -131:sc= -0.298 (180deg=-0.729) USER MOD Single : A 880 SER OG : rot 66:sc= 1.13 USER MOD Single : A 884 SER OG : rot -91:sc= -0.0539 USER MOD Single : A 885 TYR OH : rot -130:sc= -0.486 USER MOD Single : A 887 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 888 SER OG : rot -62:sc= 0.955 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 775 9.773 -36.640 4.959 1.00 0.00 N ATOM 2 CA MET A 775 9.956 -35.980 3.646 1.00 0.00 C ATOM 3 C MET A 775 10.994 -36.722 2.806 1.00 0.00 C ATOM 4 O MET A 775 12.157 -36.326 2.742 1.00 0.00 O ATOM 5 CB MET A 775 10.384 -34.522 3.845 1.00 0.00 C ATOM 6 CG MET A 775 10.352 -33.692 2.573 1.00 0.00 C ATOM 7 SD MET A 775 11.703 -32.500 2.496 1.00 0.00 S ATOM 8 CE MET A 775 12.766 -33.273 1.278 1.00 0.00 C ATOM 0 HA MET A 775 9.005 -36.003 3.115 1.00 0.00 H new ATOM 0 HB2 MET A 775 9.731 -34.060 4.585 1.00 0.00 H new ATOM 0 HB3 MET A 775 11.394 -34.503 4.254 1.00 0.00 H new ATOM 0 HG2 MET A 775 10.406 -34.354 1.709 1.00 0.00 H new ATOM 0 HG3 MET A 775 9.401 -33.163 2.511 1.00 0.00 H new ATOM 0 HE1 MET A 775 13.799 -33.239 1.623 1.00 0.00 H new ATOM 0 HE2 MET A 775 12.464 -34.311 1.138 1.00 0.00 H new ATOM 0 HE3 MET A 775 12.682 -32.740 0.331 1.00 0.00 H new ATOM 20 N GLN A 776 10.574 -37.809 2.178 1.00 0.00 N ATOM 21 CA GLN A 776 11.440 -38.552 1.274 1.00 0.00 C ATOM 22 C GLN A 776 10.795 -38.640 -0.099 1.00 0.00 C ATOM 23 O GLN A 776 9.808 -39.360 -0.283 1.00 0.00 O ATOM 24 CB GLN A 776 11.732 -39.951 1.819 1.00 0.00 C ATOM 25 CG GLN A 776 13.162 -40.402 1.570 1.00 0.00 C ATOM 26 CD GLN A 776 13.429 -41.806 2.072 1.00 0.00 C ATOM 27 OE1 GLN A 776 13.480 -42.049 3.279 1.00 0.00 O ATOM 28 NE2 GLN A 776 13.603 -42.738 1.149 1.00 0.00 N ATOM 0 H GLN A 776 9.636 -38.198 2.278 1.00 0.00 H new ATOM 0 HA GLN A 776 12.389 -38.023 1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 776 11.534 -39.965 2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 776 11.047 -40.664 1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 776 13.372 -40.357 0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 776 13.847 -39.709 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 776 13.552 -42.492 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 776 13.788 -43.702 1.426 1.00 0.00 H new ATOM 37 N GLU A 777 11.340 -37.867 -1.042 1.00 0.00 N ATOM 38 CA GLU A 777 10.814 -37.755 -2.409 1.00 0.00 C ATOM 39 C GLU A 777 9.499 -36.972 -2.430 1.00 0.00 C ATOM 40 O GLU A 777 9.298 -36.096 -3.272 1.00 0.00 O ATOM 41 CB GLU A 777 10.630 -39.133 -3.047 1.00 0.00 C ATOM 42 CG GLU A 777 11.668 -39.450 -4.110 1.00 0.00 C ATOM 43 CD GLU A 777 11.062 -40.092 -5.338 1.00 0.00 C ATOM 44 OE1 GLU A 777 10.551 -39.359 -6.210 1.00 0.00 O ATOM 45 OE2 GLU A 777 11.091 -41.336 -5.437 1.00 0.00 O ATOM 0 H GLU A 777 12.168 -37.294 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 777 11.547 -37.205 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 777 10.674 -39.894 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 777 9.636 -39.189 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 777 12.180 -38.532 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 777 12.422 -40.116 -3.690 1.00 0.00 H new ATOM 52 N ALA A 778 8.612 -37.284 -1.496 1.00 0.00 N ATOM 53 CA ALA A 778 7.350 -36.575 -1.363 1.00 0.00 C ATOM 54 C ALA A 778 7.546 -35.300 -0.552 1.00 0.00 C ATOM 55 O ALA A 778 7.198 -35.240 0.627 1.00 0.00 O ATOM 56 CB ALA A 778 6.301 -37.469 -0.713 1.00 0.00 C ATOM 0 H ALA A 778 8.746 -38.031 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 778 6.996 -36.303 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 778 5.363 -36.922 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 778 6.146 -38.355 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 778 6.643 -37.771 0.277 1.00 0.00 H new ATOM 62 N VAL A 779 8.145 -34.300 -1.185 1.00 0.00 N ATOM 63 CA VAL A 779 8.352 -33.006 -0.551 1.00 0.00 C ATOM 64 C VAL A 779 7.023 -32.275 -0.398 1.00 0.00 C ATOM 65 O VAL A 779 6.474 -32.198 0.700 1.00 0.00 O ATOM 66 CB VAL A 779 9.328 -32.124 -1.360 1.00 0.00 C ATOM 67 CG1 VAL A 779 9.880 -31.002 -0.495 1.00 0.00 C ATOM 68 CG2 VAL A 779 10.461 -32.958 -1.941 1.00 0.00 C ATOM 0 H VAL A 779 8.497 -34.361 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 779 8.788 -33.191 0.431 1.00 0.00 H new ATOM 0 HB VAL A 779 8.775 -31.680 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 779 10.565 -30.392 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 779 9.059 -30.381 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 779 10.412 -31.427 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 779 11.134 -32.314 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 779 11.012 -33.438 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 779 10.049 -33.721 -2.602 1.00 0.00 H new ATOM 78 N LEU A 780 6.518 -31.751 -1.516 1.00 0.00 N ATOM 79 CA LEU A 780 5.225 -31.067 -1.559 1.00 0.00 C ATOM 80 C LEU A 780 5.192 -29.874 -0.605 1.00 0.00 C ATOM 81 O LEU A 780 5.676 -28.790 -0.939 1.00 0.00 O ATOM 82 CB LEU A 780 4.079 -32.036 -1.238 1.00 0.00 C ATOM 83 CG LEU A 780 4.061 -33.320 -2.065 1.00 0.00 C ATOM 84 CD1 LEU A 780 3.633 -34.500 -1.208 1.00 0.00 C ATOM 85 CD2 LEU A 780 3.142 -33.169 -3.268 1.00 0.00 C ATOM 0 H LEU A 780 6.994 -31.789 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 780 5.089 -30.693 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 780 4.136 -32.303 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 780 3.133 -31.515 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 780 5.071 -33.509 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 780 3.626 -35.406 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 780 4.333 -34.622 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 780 2.633 -34.319 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 780 3.143 -34.094 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 780 2.129 -32.954 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 780 3.495 -32.350 -3.895 1.00 0.00 H new ATOM 97 N GLN A 781 4.617 -30.076 0.575 1.00 0.00 N ATOM 98 CA GLN A 781 4.500 -29.021 1.574 1.00 0.00 C ATOM 99 C GLN A 781 4.707 -29.603 2.968 1.00 0.00 C ATOM 100 O GLN A 781 5.835 -29.693 3.457 1.00 0.00 O ATOM 101 CB GLN A 781 3.120 -28.348 1.494 1.00 0.00 C ATOM 102 CG GLN A 781 2.829 -27.680 0.158 1.00 0.00 C ATOM 103 CD GLN A 781 2.717 -26.172 0.267 1.00 0.00 C ATOM 104 OE1 GLN A 781 3.222 -25.564 1.210 1.00 0.00 O ATOM 105 NE2 GLN A 781 2.054 -25.557 -0.702 1.00 0.00 N ATOM 0 H GLN A 781 4.221 -30.970 0.865 1.00 0.00 H new ATOM 0 HA GLN A 781 5.266 -28.271 1.375 1.00 0.00 H new ATOM 0 HB2 GLN A 781 2.351 -29.096 1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 781 3.046 -27.601 2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 781 3.620 -27.931 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 781 1.900 -28.080 -0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 781 1.650 -26.098 -1.467 1.00 0.00 H new ATOM 0 HE22 GLN A 781 1.948 -24.543 -0.683 1.00 0.00 H new ATOM 114 N LEU A 782 3.599 -29.998 3.587 1.00 0.00 N ATOM 115 CA LEU A 782 3.594 -30.619 4.909 1.00 0.00 C ATOM 116 C LEU A 782 2.155 -30.940 5.295 1.00 0.00 C ATOM 117 O LEU A 782 1.821 -32.076 5.618 1.00 0.00 O ATOM 118 CB LEU A 782 4.260 -29.718 5.972 1.00 0.00 C ATOM 119 CG LEU A 782 3.548 -28.399 6.300 1.00 0.00 C ATOM 120 CD1 LEU A 782 3.638 -28.105 7.790 1.00 0.00 C ATOM 121 CD2 LEU A 782 4.146 -27.251 5.501 1.00 0.00 C ATOM 0 H LEU A 782 2.669 -29.895 3.181 1.00 0.00 H new ATOM 0 HA LEU A 782 4.180 -31.537 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 782 4.355 -30.292 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 782 5.270 -29.485 5.636 1.00 0.00 H new ATOM 0 HG LEU A 782 2.498 -28.500 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 782 3.128 -27.166 8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 782 3.165 -28.912 8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 782 4.685 -28.026 8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 782 3.626 -26.326 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 782 5.204 -27.150 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 782 4.037 -27.454 4.436 1.00 0.00 H new ATOM 133 N ILE A 783 1.309 -29.921 5.241 1.00 0.00 N ATOM 134 CA ILE A 783 -0.123 -30.083 5.427 1.00 0.00 C ATOM 135 C ILE A 783 -0.844 -29.251 4.374 1.00 0.00 C ATOM 136 O ILE A 783 -0.767 -29.547 3.184 1.00 0.00 O ATOM 137 CB ILE A 783 -0.606 -29.641 6.833 1.00 0.00 C ATOM 138 CG1 ILE A 783 0.482 -29.856 7.897 1.00 0.00 C ATOM 139 CG2 ILE A 783 -1.887 -30.380 7.204 1.00 0.00 C ATOM 140 CD1 ILE A 783 0.391 -31.179 8.630 1.00 0.00 C ATOM 0 H ILE A 783 1.598 -28.958 5.067 1.00 0.00 H new ATOM 0 HA ILE A 783 -0.349 -31.145 5.329 1.00 0.00 H new ATOM 0 HB ILE A 783 -0.817 -28.572 6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.459 -29.786 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.425 -29.047 8.625 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -2.217 -30.062 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -2.663 -30.154 6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.698 -31.454 7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 783 1.197 -31.246 9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -0.569 -31.247 9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 783 0.480 -31.998 7.916 1.00 0.00 H new ATOM 152 N GLU A 784 -1.508 -28.194 4.819 1.00 0.00 N ATOM 153 CA GLU A 784 -2.169 -27.257 3.921 1.00 0.00 C ATOM 154 C GLU A 784 -2.326 -25.908 4.609 1.00 0.00 C ATOM 155 O GLU A 784 -1.971 -24.871 4.059 1.00 0.00 O ATOM 156 CB GLU A 784 -3.539 -27.787 3.474 1.00 0.00 C ATOM 157 CG GLU A 784 -4.265 -28.612 4.529 1.00 0.00 C ATOM 158 CD GLU A 784 -5.767 -28.641 4.325 1.00 0.00 C ATOM 159 OE1 GLU A 784 -6.241 -28.169 3.274 1.00 0.00 O ATOM 160 OE2 GLU A 784 -6.480 -29.134 5.222 1.00 0.00 O ATOM 0 H GLU A 784 -1.604 -27.962 5.808 1.00 0.00 H new ATOM 0 HA GLU A 784 -1.550 -27.140 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 784 -4.168 -26.943 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 784 -3.406 -28.397 2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -3.881 -29.632 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 784 -4.045 -28.205 5.516 1.00 0.00 H new ATOM 167 N VAL A 785 -2.829 -25.944 5.835 1.00 0.00 N ATOM 168 CA VAL A 785 -3.037 -24.737 6.623 1.00 0.00 C ATOM 169 C VAL A 785 -1.981 -24.634 7.717 1.00 0.00 C ATOM 170 O VAL A 785 -2.203 -24.006 8.756 1.00 0.00 O ATOM 171 CB VAL A 785 -4.442 -24.714 7.262 1.00 0.00 C ATOM 172 CG1 VAL A 785 -5.480 -24.269 6.246 1.00 0.00 C ATOM 173 CG2 VAL A 785 -4.801 -26.078 7.835 1.00 0.00 C ATOM 0 H VAL A 785 -3.103 -26.805 6.309 1.00 0.00 H new ATOM 0 HA VAL A 785 -2.952 -23.885 5.949 1.00 0.00 H new ATOM 0 HB VAL A 785 -4.432 -23.996 8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 785 -6.465 -24.258 6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -5.236 -23.268 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 785 -5.485 -24.961 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -5.795 -26.036 8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 785 -4.791 -26.822 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -4.074 -26.355 8.598 1.00 0.00 H new ATOM 183 N GLN A 786 -0.830 -25.259 7.458 1.00 0.00 N ATOM 184 CA GLN A 786 0.278 -25.319 8.409 1.00 0.00 C ATOM 185 C GLN A 786 -0.191 -25.850 9.762 1.00 0.00 C ATOM 186 O GLN A 786 -0.474 -27.041 9.899 1.00 0.00 O ATOM 187 CB GLN A 786 0.931 -23.941 8.562 1.00 0.00 C ATOM 188 CG GLN A 786 2.364 -23.885 8.063 1.00 0.00 C ATOM 189 CD GLN A 786 3.351 -24.491 9.043 1.00 0.00 C ATOM 190 OE1 GLN A 786 2.980 -24.922 10.136 1.00 0.00 O ATOM 191 NE2 GLN A 786 4.615 -24.531 8.657 1.00 0.00 N ATOM 0 H GLN A 786 -0.641 -25.739 6.578 1.00 0.00 H new ATOM 0 HA GLN A 786 1.024 -26.011 8.018 1.00 0.00 H new ATOM 0 HB2 GLN A 786 0.338 -23.205 8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 786 0.910 -23.654 9.613 1.00 0.00 H new ATOM 0 HG2 GLN A 786 2.434 -24.412 7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 786 2.638 -22.847 7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 786 4.881 -24.163 7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 786 5.324 -24.930 9.273 1.00 0.00 H new ATOM 200 N LEU A 787 -0.282 -24.963 10.748 1.00 0.00 N ATOM 201 CA LEU A 787 -0.762 -25.327 12.074 1.00 0.00 C ATOM 202 C LEU A 787 -2.219 -25.769 12.001 1.00 0.00 C ATOM 203 O LEU A 787 -2.555 -26.895 12.378 1.00 0.00 O ATOM 204 CB LEU A 787 -0.631 -24.134 13.025 1.00 0.00 C ATOM 205 CG LEU A 787 0.553 -24.192 13.990 1.00 0.00 C ATOM 206 CD1 LEU A 787 1.806 -23.638 13.332 1.00 0.00 C ATOM 207 CD2 LEU A 787 0.235 -23.420 15.259 1.00 0.00 C ATOM 0 H LEU A 787 -0.027 -23.980 10.651 1.00 0.00 H new ATOM 0 HA LEU A 787 -0.158 -26.152 12.451 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -0.549 -23.224 12.430 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -1.549 -24.053 13.607 1.00 0.00 H new ATOM 0 HG LEU A 787 0.736 -25.234 14.252 1.00 0.00 H new ATOM 0 HD11 LEU A 787 2.638 -23.688 14.034 1.00 0.00 H new ATOM 0 HD12 LEU A 787 2.043 -24.228 12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 787 1.637 -22.601 13.043 1.00 0.00 H new ATOM 0 HD21 LEU A 787 1.086 -23.469 15.938 1.00 0.00 H new ATOM 0 HD22 LEU A 787 0.029 -22.379 15.010 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -0.639 -23.857 15.741 1.00 0.00 H new ATOM 219 N ALA A 788 -3.062 -24.872 11.487 1.00 0.00 N ATOM 220 CA ALA A 788 -4.500 -25.102 11.360 1.00 0.00 C ATOM 221 C ALA A 788 -5.189 -23.829 10.884 1.00 0.00 C ATOM 222 O ALA A 788 -6.366 -23.615 11.163 1.00 0.00 O ATOM 223 CB ALA A 788 -5.107 -25.542 12.687 1.00 0.00 C ATOM 0 H ALA A 788 -2.763 -23.959 11.145 1.00 0.00 H new ATOM 0 HA ALA A 788 -4.651 -25.898 10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 788 -6.177 -25.705 12.561 1.00 0.00 H new ATOM 0 HB2 ALA A 788 -4.634 -26.468 13.014 1.00 0.00 H new ATOM 0 HB3 ALA A 788 -4.944 -24.767 13.436 1.00 0.00 H new ATOM 229 N GLN A 789 -4.442 -22.996 10.151 1.00 0.00 N ATOM 230 CA GLN A 789 -4.901 -21.655 9.786 1.00 0.00 C ATOM 231 C GLN A 789 -5.296 -20.893 11.045 1.00 0.00 C ATOM 232 O GLN A 789 -6.461 -20.551 11.248 1.00 0.00 O ATOM 233 CB GLN A 789 -6.075 -21.716 8.806 1.00 0.00 C ATOM 234 CG GLN A 789 -6.062 -20.598 7.777 1.00 0.00 C ATOM 235 CD GLN A 789 -7.439 -20.016 7.527 1.00 0.00 C ATOM 236 OE1 GLN A 789 -7.875 -19.902 6.382 1.00 0.00 O ATOM 237 NE2 GLN A 789 -8.131 -19.646 8.593 1.00 0.00 N ATOM 0 H GLN A 789 -3.514 -23.230 9.799 1.00 0.00 H new ATOM 0 HA GLN A 789 -4.085 -21.133 9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 789 -6.057 -22.675 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 789 -7.009 -21.673 9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 789 -5.394 -19.806 8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 789 -5.657 -20.978 6.839 1.00 0.00 H new ATOM 0 HE21 GLN A 789 -7.731 -19.758 9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 789 -9.064 -19.249 8.483 1.00 0.00 H new ATOM 246 N GLU A 790 -4.303 -20.625 11.880 1.00 0.00 N ATOM 247 CA GLU A 790 -4.537 -20.112 13.215 1.00 0.00 C ATOM 248 C GLU A 790 -4.790 -18.613 13.219 1.00 0.00 C ATOM 249 O GLU A 790 -4.715 -17.940 12.187 1.00 0.00 O ATOM 250 CB GLU A 790 -3.343 -20.428 14.110 1.00 0.00 C ATOM 251 CG GLU A 790 -3.302 -21.871 14.579 1.00 0.00 C ATOM 252 CD GLU A 790 -3.987 -22.058 15.914 1.00 0.00 C ATOM 253 OE1 GLU A 790 -4.427 -21.051 16.506 1.00 0.00 O ATOM 254 OE2 GLU A 790 -4.092 -23.213 16.377 1.00 0.00 O ATOM 0 H GLU A 790 -3.318 -20.757 11.650 1.00 0.00 H new ATOM 0 HA GLU A 790 -5.433 -20.601 13.597 1.00 0.00 H new ATOM 0 HB2 GLU A 790 -2.424 -20.204 13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 790 -3.368 -19.772 14.980 1.00 0.00 H new ATOM 0 HG2 GLU A 790 -3.781 -22.507 13.835 1.00 0.00 H new ATOM 0 HG3 GLU A 790 -2.265 -22.197 14.656 1.00 0.00 H new ATOM 261 N GLU A 791 -5.062 -18.107 14.405 1.00 0.00 N ATOM 262 CA GLU A 791 -5.353 -16.701 14.606 1.00 0.00 C ATOM 263 C GLU A 791 -4.700 -16.234 15.896 1.00 0.00 C ATOM 264 O GLU A 791 -4.608 -16.997 16.858 1.00 0.00 O ATOM 265 CB GLU A 791 -6.868 -16.476 14.674 1.00 0.00 C ATOM 266 CG GLU A 791 -7.367 -15.374 13.754 1.00 0.00 C ATOM 267 CD GLU A 791 -6.631 -14.069 13.960 1.00 0.00 C ATOM 268 OE1 GLU A 791 -6.932 -13.359 14.940 1.00 0.00 O ATOM 269 OE2 GLU A 791 -5.738 -13.754 13.146 1.00 0.00 O ATOM 0 H GLU A 791 -5.088 -18.662 15.261 1.00 0.00 H new ATOM 0 HA GLU A 791 -4.956 -16.128 13.768 1.00 0.00 H new ATOM 0 HB2 GLU A 791 -7.376 -17.406 14.420 1.00 0.00 H new ATOM 0 HB3 GLU A 791 -7.144 -16.233 15.700 1.00 0.00 H new ATOM 0 HG2 GLU A 791 -7.254 -15.692 12.717 1.00 0.00 H new ATOM 0 HG3 GLU A 791 -8.432 -15.217 13.925 1.00 0.00 H new ATOM 276 N VAL A 792 -4.256 -14.988 15.918 1.00 0.00 N ATOM 277 CA VAL A 792 -3.626 -14.422 17.105 1.00 0.00 C ATOM 278 C VAL A 792 -4.671 -13.797 18.020 1.00 0.00 C ATOM 279 O VAL A 792 -4.341 -13.053 18.943 1.00 0.00 O ATOM 280 CB VAL A 792 -2.564 -13.360 16.742 1.00 0.00 C ATOM 281 CG1 VAL A 792 -1.288 -14.030 16.258 1.00 0.00 C ATOM 282 CG2 VAL A 792 -3.100 -12.397 15.694 1.00 0.00 C ATOM 0 H VAL A 792 -4.319 -14.346 15.128 1.00 0.00 H new ATOM 0 HA VAL A 792 -3.128 -15.242 17.623 1.00 0.00 H new ATOM 0 HB VAL A 792 -2.331 -12.786 17.639 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -0.550 -13.268 16.006 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -0.893 -14.672 17.045 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -1.505 -14.631 15.375 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -2.335 -11.658 15.454 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.365 -12.950 14.793 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -3.984 -11.891 16.083 1.00 0.00 H new ATOM 292 N THR A 793 -5.935 -14.120 17.753 1.00 0.00 N ATOM 293 CA THR A 793 -7.056 -13.574 18.505 1.00 0.00 C ATOM 294 C THR A 793 -7.143 -12.061 18.333 1.00 0.00 C ATOM 295 O THR A 793 -7.253 -11.308 19.303 1.00 0.00 O ATOM 296 CB THR A 793 -6.974 -13.937 19.996 1.00 0.00 C ATOM 297 OG1 THR A 793 -6.341 -15.217 20.156 1.00 0.00 O ATOM 298 CG2 THR A 793 -8.360 -13.977 20.624 1.00 0.00 C ATOM 0 H THR A 793 -6.207 -14.765 17.012 1.00 0.00 H new ATOM 0 HA THR A 793 -7.963 -14.025 18.101 1.00 0.00 H new ATOM 0 HB THR A 793 -6.385 -13.170 20.499 1.00 0.00 H new ATOM 0 HG1 THR A 793 -6.291 -15.440 21.109 1.00 0.00 H new ATOM 0 HG21 THR A 793 -8.274 -14.236 21.679 1.00 0.00 H new ATOM 0 HG22 THR A 793 -8.831 -12.999 20.528 1.00 0.00 H new ATOM 0 HG23 THR A 793 -8.969 -14.725 20.115 1.00 0.00 H new ATOM 306 N GLU A 794 -7.092 -11.627 17.084 1.00 0.00 N ATOM 307 CA GLU A 794 -7.200 -10.213 16.753 1.00 0.00 C ATOM 308 C GLU A 794 -8.040 -10.047 15.492 1.00 0.00 C ATOM 309 O GLU A 794 -9.007 -9.288 15.480 1.00 0.00 O ATOM 310 CB GLU A 794 -5.805 -9.603 16.558 1.00 0.00 C ATOM 311 CG GLU A 794 -5.785 -8.320 15.735 1.00 0.00 C ATOM 312 CD GLU A 794 -6.299 -7.115 16.500 1.00 0.00 C ATOM 313 OE1 GLU A 794 -6.016 -7.005 17.711 1.00 0.00 O ATOM 314 OE2 GLU A 794 -6.980 -6.265 15.887 1.00 0.00 O ATOM 0 H GLU A 794 -6.976 -12.238 16.276 1.00 0.00 H new ATOM 0 HA GLU A 794 -7.688 -9.688 17.574 1.00 0.00 H new ATOM 0 HB2 GLU A 794 -5.372 -9.398 17.537 1.00 0.00 H new ATOM 0 HB3 GLU A 794 -5.164 -10.340 16.074 1.00 0.00 H new ATOM 0 HG2 GLU A 794 -4.765 -8.124 15.403 1.00 0.00 H new ATOM 0 HG3 GLU A 794 -6.391 -8.460 14.840 1.00 0.00 H new ATOM 321 N SER A 795 -7.668 -10.797 14.453 1.00 0.00 N ATOM 322 CA SER A 795 -8.342 -10.753 13.155 1.00 0.00 C ATOM 323 C SER A 795 -8.478 -9.319 12.647 1.00 0.00 C ATOM 324 O SER A 795 -9.500 -8.668 12.869 1.00 0.00 O ATOM 325 CB SER A 795 -9.716 -11.417 13.251 1.00 0.00 C ATOM 326 OG SER A 795 -9.738 -12.398 14.275 1.00 0.00 O ATOM 0 H SER A 795 -6.888 -11.454 14.489 1.00 0.00 H new ATOM 0 HA SER A 795 -7.731 -11.303 12.439 1.00 0.00 H new ATOM 0 HB2 SER A 795 -10.476 -10.661 13.451 1.00 0.00 H new ATOM 0 HB3 SER A 795 -9.968 -11.878 12.296 1.00 0.00 H new ATOM 0 HG SER A 795 -10.628 -12.807 14.317 1.00 0.00 H new ATOM 332 N PRO A 796 -7.437 -8.811 11.967 1.00 0.00 N ATOM 333 CA PRO A 796 -7.420 -7.444 11.434 1.00 0.00 C ATOM 334 C PRO A 796 -8.618 -7.170 10.530 1.00 0.00 C ATOM 335 O PRO A 796 -8.682 -7.679 9.407 1.00 0.00 O ATOM 336 CB PRO A 796 -6.119 -7.387 10.631 1.00 0.00 C ATOM 337 CG PRO A 796 -5.257 -8.442 11.231 1.00 0.00 C ATOM 338 CD PRO A 796 -6.192 -9.534 11.658 1.00 0.00 C ATOM 0 HA PRO A 796 -7.476 -6.695 12.224 1.00 0.00 H new ATOM 0 HB2 PRO A 796 -6.298 -7.577 9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 796 -5.652 -6.405 10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 796 -4.528 -8.810 10.509 1.00 0.00 H new ATOM 0 HG3 PRO A 796 -4.695 -8.053 12.080 1.00 0.00 H new ATOM 0 HD2 PRO A 796 -6.339 -10.270 10.867 1.00 0.00 H new ATOM 0 HD3 PRO A 796 -5.813 -10.072 12.527 1.00 0.00 H new ATOM 346 N LEU A 797 -9.561 -6.381 11.043 1.00 0.00 N ATOM 347 CA LEU A 797 -10.799 -6.058 10.335 1.00 0.00 C ATOM 348 C LEU A 797 -11.627 -7.323 10.091 1.00 0.00 C ATOM 349 O LEU A 797 -12.363 -7.769 10.973 1.00 0.00 O ATOM 350 CB LEU A 797 -10.513 -5.337 9.014 1.00 0.00 C ATOM 351 CG LEU A 797 -9.877 -3.955 9.149 1.00 0.00 C ATOM 352 CD1 LEU A 797 -8.681 -3.830 8.218 1.00 0.00 C ATOM 353 CD2 LEU A 797 -10.899 -2.868 8.852 1.00 0.00 C ATOM 0 H LEU A 797 -9.488 -5.947 11.963 1.00 0.00 H new ATOM 0 HA LEU A 797 -11.377 -5.382 10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 797 -9.856 -5.964 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 797 -11.449 -5.236 8.464 1.00 0.00 H new ATOM 0 HG LEU A 797 -9.531 -3.831 10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 797 -8.238 -2.840 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 797 -7.941 -4.588 8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 797 -9.006 -3.972 7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 797 -10.429 -1.890 8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 797 -11.273 -2.988 7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 797 -11.728 -2.946 9.555 1.00 0.00 H new ATOM 365 N GLY A 798 -11.500 -7.899 8.904 1.00 0.00 N ATOM 366 CA GLY A 798 -12.227 -9.109 8.590 1.00 0.00 C ATOM 367 C GLY A 798 -13.383 -8.848 7.649 1.00 0.00 C ATOM 368 O GLY A 798 -14.474 -9.390 7.824 1.00 0.00 O ATOM 0 H GLY A 798 -10.905 -7.548 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 798 -11.548 -9.833 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 798 -12.603 -9.555 9.511 1.00 0.00 H new ATOM 372 N GLY A 799 -13.140 -8.019 6.648 1.00 0.00 N ATOM 373 CA GLY A 799 -14.172 -7.690 5.689 1.00 0.00 C ATOM 374 C GLY A 799 -13.711 -7.901 4.265 1.00 0.00 C ATOM 375 O GLY A 799 -13.877 -7.021 3.422 1.00 0.00 O ATOM 0 H GLY A 799 -12.242 -7.566 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -15.053 -8.304 5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -14.473 -6.651 5.822 1.00 0.00 H new ATOM 379 N ASP A 800 -13.114 -9.068 4.014 1.00 0.00 N ATOM 380 CA ASP A 800 -12.623 -9.435 2.682 1.00 0.00 C ATOM 381 C ASP A 800 -11.608 -8.414 2.178 1.00 0.00 C ATOM 382 O ASP A 800 -11.791 -7.805 1.122 1.00 0.00 O ATOM 383 CB ASP A 800 -13.786 -9.565 1.691 1.00 0.00 C ATOM 384 CG ASP A 800 -13.939 -10.974 1.151 1.00 0.00 C ATOM 385 OD1 ASP A 800 -13.821 -11.934 1.943 1.00 0.00 O ATOM 386 OD2 ASP A 800 -14.183 -11.128 -0.063 1.00 0.00 O ATOM 0 H ASP A 800 -12.957 -9.783 4.724 1.00 0.00 H new ATOM 0 HA ASP A 800 -12.127 -10.402 2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -14.712 -9.266 2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -13.629 -8.877 0.860 1.00 0.00 H new ATOM 391 N GLU A 801 -10.533 -8.253 2.940 1.00 0.00 N ATOM 392 CA GLU A 801 -9.519 -7.236 2.672 1.00 0.00 C ATOM 393 C GLU A 801 -8.961 -7.347 1.252 1.00 0.00 C ATOM 394 O GLU A 801 -8.871 -6.348 0.535 1.00 0.00 O ATOM 395 CB GLU A 801 -8.379 -7.347 3.688 1.00 0.00 C ATOM 396 CG GLU A 801 -8.715 -6.756 5.052 1.00 0.00 C ATOM 397 CD GLU A 801 -9.811 -7.518 5.770 1.00 0.00 C ATOM 398 OE1 GLU A 801 -9.751 -8.766 5.810 1.00 0.00 O ATOM 399 OE2 GLU A 801 -10.746 -6.875 6.287 1.00 0.00 O ATOM 0 H GLU A 801 -10.338 -8.824 3.763 1.00 0.00 H new ATOM 0 HA GLU A 801 -10.000 -6.262 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -8.115 -8.397 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -7.499 -6.842 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -7.818 -6.750 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -9.023 -5.718 4.927 1.00 0.00 H new ATOM 406 N ASN A 802 -8.602 -8.560 0.843 1.00 0.00 N ATOM 407 CA ASN A 802 -8.010 -8.772 -0.476 1.00 0.00 C ATOM 408 C ASN A 802 -9.021 -8.475 -1.581 1.00 0.00 C ATOM 409 O ASN A 802 -8.661 -7.961 -2.639 1.00 0.00 O ATOM 410 CB ASN A 802 -7.444 -10.200 -0.599 1.00 0.00 C ATOM 411 CG ASN A 802 -8.122 -11.043 -1.669 1.00 0.00 C ATOM 412 OD1 ASN A 802 -7.835 -10.912 -2.859 1.00 0.00 O ATOM 413 ND2 ASN A 802 -9.014 -11.925 -1.250 1.00 0.00 N ATOM 0 H ASN A 802 -8.709 -9.407 1.401 1.00 0.00 H new ATOM 0 HA ASN A 802 -7.180 -8.076 -0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -6.378 -10.140 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -7.543 -10.703 0.363 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -9.491 -12.526 -1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -9.225 -12.004 -0.255 1.00 0.00 H new ATOM 420 N ALA A 803 -10.289 -8.761 -1.325 1.00 0.00 N ATOM 421 CA ALA A 803 -11.334 -8.499 -2.302 1.00 0.00 C ATOM 422 C ALA A 803 -11.606 -7.003 -2.406 1.00 0.00 C ATOM 423 O ALA A 803 -11.864 -6.484 -3.490 1.00 0.00 O ATOM 424 CB ALA A 803 -12.602 -9.249 -1.940 1.00 0.00 C ATOM 0 H ALA A 803 -10.618 -9.173 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 803 -10.992 -8.854 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.372 -9.041 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.398 -10.320 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.948 -8.926 -0.958 1.00 0.00 H new ATOM 430 N GLN A 804 -11.536 -6.314 -1.273 1.00 0.00 N ATOM 431 CA GLN A 804 -11.703 -4.866 -1.243 1.00 0.00 C ATOM 432 C GLN A 804 -10.590 -4.186 -2.037 1.00 0.00 C ATOM 433 O GLN A 804 -10.849 -3.328 -2.886 1.00 0.00 O ATOM 434 CB GLN A 804 -11.700 -4.362 0.201 1.00 0.00 C ATOM 435 CG GLN A 804 -13.068 -4.398 0.860 1.00 0.00 C ATOM 436 CD GLN A 804 -14.037 -3.412 0.241 1.00 0.00 C ATOM 437 OE1 GLN A 804 -14.890 -3.785 -0.562 1.00 0.00 O ATOM 438 NE2 GLN A 804 -13.908 -2.146 0.605 1.00 0.00 N ATOM 0 H GLN A 804 -11.364 -6.736 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.661 -4.619 -1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.008 -4.967 0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -11.324 -3.339 0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -13.479 -5.404 0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -12.962 -4.179 1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -13.186 -1.879 1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -14.530 -1.438 0.216 1.00 0.00 H new ATOM 447 N LEU A 805 -9.354 -4.595 -1.775 1.00 0.00 N ATOM 448 CA LEU A 805 -8.202 -4.038 -2.470 1.00 0.00 C ATOM 449 C LEU A 805 -8.206 -4.459 -3.942 1.00 0.00 C ATOM 450 O LEU A 805 -7.626 -3.791 -4.801 1.00 0.00 O ATOM 451 CB LEU A 805 -6.904 -4.457 -1.763 1.00 0.00 C ATOM 452 CG LEU A 805 -5.918 -5.283 -2.583 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.576 -4.571 -2.674 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.743 -6.665 -1.974 1.00 0.00 C ATOM 0 H LEU A 805 -9.125 -5.311 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 805 -8.262 -2.950 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.394 -3.555 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.169 -5.027 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.320 -5.398 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.884 -5.173 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.710 -3.601 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.171 -4.428 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -5.036 -7.240 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.363 -6.569 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.704 -7.179 -1.955 1.00 0.00 H new ATOM 466 N HIS A 806 -8.874 -5.569 -4.229 1.00 0.00 N ATOM 467 CA HIS A 806 -9.048 -6.019 -5.601 1.00 0.00 C ATOM 468 C HIS A 806 -10.068 -5.143 -6.319 1.00 0.00 C ATOM 469 O HIS A 806 -9.877 -4.787 -7.479 1.00 0.00 O ATOM 470 CB HIS A 806 -9.501 -7.479 -5.636 1.00 0.00 C ATOM 471 CG HIS A 806 -9.409 -8.102 -6.995 1.00 0.00 C ATOM 472 ND1 HIS A 806 -8.495 -7.939 -7.978 1.00 0.00 N flip ATOM 473 CD2 HIS A 806 -10.329 -9.003 -7.475 1.00 0.00 C flip ATOM 474 CE1 HIS A 806 -8.874 -8.738 -9.026 1.00 0.00 C flip ATOM 475 NE2 HIS A 806 -9.984 -9.370 -8.696 1.00 0.00 N flip ATOM 0 H HIS A 806 -9.304 -6.173 -3.529 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.088 -5.939 -6.111 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -8.894 -8.056 -4.939 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -10.532 -7.540 -5.287 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -11.197 -9.355 -6.938 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -8.351 -8.834 -9.966 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -10.491 -10.031 -9.285 1.00 0.00 H new ATOM 484 N ALA A 807 -11.137 -4.792 -5.614 1.00 0.00 N ATOM 485 CA ALA A 807 -12.205 -3.978 -6.183 1.00 0.00 C ATOM 486 C ALA A 807 -11.712 -2.576 -6.520 1.00 0.00 C ATOM 487 O ALA A 807 -12.154 -1.970 -7.494 1.00 0.00 O ATOM 488 CB ALA A 807 -13.381 -3.908 -5.228 1.00 0.00 C ATOM 0 H ALA A 807 -11.288 -5.060 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.530 -4.451 -7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.170 -3.297 -5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.760 -4.913 -5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -13.059 -3.463 -4.286 1.00 0.00 H new ATOM 494 N SER A 808 -10.797 -2.060 -5.708 1.00 0.00 N ATOM 495 CA SER A 808 -10.192 -0.762 -5.981 1.00 0.00 C ATOM 496 C SER A 808 -9.232 -0.859 -7.167 1.00 0.00 C ATOM 497 O SER A 808 -8.898 0.143 -7.799 1.00 0.00 O ATOM 498 CB SER A 808 -9.453 -0.257 -4.740 1.00 0.00 C ATOM 499 OG SER A 808 -9.206 -1.319 -3.833 1.00 0.00 O ATOM 0 H SER A 808 -10.459 -2.517 -4.861 1.00 0.00 H new ATOM 0 HA SER A 808 -10.982 -0.054 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.509 0.202 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 808 -10.044 0.516 -4.249 1.00 0.00 H new ATOM 0 HG SER A 808 -8.878 -0.955 -2.984 1.00 0.00 H new ATOM 505 N GLY A 809 -8.799 -2.077 -7.467 1.00 0.00 N ATOM 506 CA GLY A 809 -7.890 -2.289 -8.574 1.00 0.00 C ATOM 507 C GLY A 809 -6.440 -2.246 -8.145 1.00 0.00 C ATOM 508 O GLY A 809 -5.535 -2.293 -8.977 1.00 0.00 O ATOM 0 H GLY A 809 -9.063 -2.923 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.101 -3.254 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.064 -1.528 -9.335 1.00 0.00 H new ATOM 512 N TYR A 810 -6.213 -2.183 -6.841 1.00 0.00 N ATOM 513 CA TYR A 810 -4.864 -2.040 -6.316 1.00 0.00 C ATOM 514 C TYR A 810 -4.229 -3.401 -6.042 1.00 0.00 C ATOM 515 O TYR A 810 -3.059 -3.487 -5.673 1.00 0.00 O ATOM 516 CB TYR A 810 -4.879 -1.179 -5.053 1.00 0.00 C ATOM 517 CG TYR A 810 -4.583 0.281 -5.327 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.117 0.691 -6.570 1.00 0.00 C ATOM 519 CD2 TYR A 810 -4.769 1.248 -4.346 1.00 0.00 C ATOM 520 CE1 TYR A 810 -3.843 2.018 -6.827 1.00 0.00 C ATOM 521 CE2 TYR A 810 -4.497 2.579 -4.598 1.00 0.00 C ATOM 522 CZ TYR A 810 -4.035 2.957 -5.840 1.00 0.00 C ATOM 523 OH TYR A 810 -3.761 4.280 -6.097 1.00 0.00 O ATOM 0 H TYR A 810 -6.943 -2.228 -6.130 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.255 -1.541 -7.070 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.855 -1.262 -4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.144 -1.567 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -3.967 -0.042 -7.349 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -5.132 0.954 -3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -3.479 2.319 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -4.646 3.319 -3.826 1.00 0.00 H new ATOM 0 HH TYR A 810 -3.950 4.814 -5.298 1.00 0.00 H new ATOM 533 N TYR A 811 -4.997 -4.465 -6.246 1.00 0.00 N ATOM 534 CA TYR A 811 -4.476 -5.821 -6.097 1.00 0.00 C ATOM 535 C TYR A 811 -3.369 -6.076 -7.117 1.00 0.00 C ATOM 536 O TYR A 811 -2.427 -6.824 -6.856 1.00 0.00 O ATOM 537 CB TYR A 811 -5.598 -6.849 -6.262 1.00 0.00 C ATOM 538 CG TYR A 811 -5.302 -8.199 -5.638 1.00 0.00 C ATOM 539 CD1 TYR A 811 -4.359 -8.338 -4.624 1.00 0.00 C ATOM 540 CD2 TYR A 811 -5.967 -9.338 -6.070 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.096 -9.572 -4.056 1.00 0.00 C ATOM 542 CE2 TYR A 811 -5.710 -10.574 -5.507 1.00 0.00 C ATOM 543 CZ TYR A 811 -4.771 -10.686 -4.502 1.00 0.00 C ATOM 544 OH TYR A 811 -4.509 -11.917 -3.941 1.00 0.00 O ATOM 0 H TYR A 811 -5.980 -4.417 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.060 -5.924 -5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.510 -6.449 -5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.794 -6.988 -7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -3.823 -7.468 -4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -6.699 -9.257 -6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -3.365 -9.661 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -6.242 -11.448 -5.852 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.736 -11.897 -2.988 1.00 0.00 H new ATOM 554 N ALA A 812 -3.480 -5.419 -8.267 1.00 0.00 N ATOM 555 CA ALA A 812 -2.475 -5.524 -9.317 1.00 0.00 C ATOM 556 C ALA A 812 -1.154 -4.904 -8.865 1.00 0.00 C ATOM 557 O ALA A 812 -0.085 -5.271 -9.351 1.00 0.00 O ATOM 558 CB ALA A 812 -2.973 -4.853 -10.588 1.00 0.00 C ATOM 0 H ALA A 812 -4.261 -4.805 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.300 -6.580 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -2.214 -4.938 -11.366 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.890 -5.340 -10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -3.173 -3.800 -10.389 1.00 0.00 H new ATOM 564 N LEU A 813 -1.241 -3.960 -7.937 1.00 0.00 N ATOM 565 CA LEU A 813 -0.057 -3.336 -7.362 1.00 0.00 C ATOM 566 C LEU A 813 0.501 -4.217 -6.252 1.00 0.00 C ATOM 567 O LEU A 813 1.717 -4.355 -6.098 1.00 0.00 O ATOM 568 CB LEU A 813 -0.406 -1.954 -6.802 1.00 0.00 C ATOM 569 CG LEU A 813 0.680 -0.887 -6.956 1.00 0.00 C ATOM 570 CD1 LEU A 813 0.053 0.489 -7.112 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.624 -0.908 -5.764 1.00 0.00 C ATOM 0 H LEU A 813 -2.123 -3.609 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 813 0.695 -3.220 -8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.311 -1.600 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -0.640 -2.059 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 813 1.256 -1.110 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 813 0.839 1.237 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.584 0.501 -7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -0.546 0.718 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.389 -0.142 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 813 1.062 -0.710 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 813 2.099 -1.887 -5.693 1.00 0.00 H new ATOM 583 N PHE A 814 -0.409 -4.817 -5.491 1.00 0.00 N ATOM 584 CA PHE A 814 -0.045 -5.691 -4.384 1.00 0.00 C ATOM 585 C PHE A 814 0.824 -6.848 -4.865 1.00 0.00 C ATOM 586 O PHE A 814 1.885 -7.113 -4.305 1.00 0.00 O ATOM 587 CB PHE A 814 -1.308 -6.226 -3.704 1.00 0.00 C ATOM 588 CG PHE A 814 -1.034 -7.127 -2.531 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.626 -6.602 -1.317 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.195 -8.498 -2.643 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.379 -7.427 -0.237 1.00 0.00 C ATOM 592 CE2 PHE A 814 -0.949 -9.329 -1.568 1.00 0.00 C ATOM 593 CZ PHE A 814 -0.543 -8.793 -0.363 1.00 0.00 C ATOM 0 H PHE A 814 -1.415 -4.711 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 814 0.531 -5.111 -3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -1.913 -5.383 -3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.901 -6.772 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.499 -5.535 -1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -1.517 -8.922 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.058 -7.005 0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -1.074 -10.397 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 814 -0.354 -9.440 0.480 1.00 0.00 H new ATOM 603 N VAL A 815 0.388 -7.518 -5.920 1.00 0.00 N ATOM 604 CA VAL A 815 1.123 -8.663 -6.444 1.00 0.00 C ATOM 605 C VAL A 815 2.296 -8.221 -7.317 1.00 0.00 C ATOM 606 O VAL A 815 3.044 -9.048 -7.836 1.00 0.00 O ATOM 607 CB VAL A 815 0.208 -9.607 -7.257 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.849 -10.232 -6.358 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.437 -8.871 -8.424 1.00 0.00 C ATOM 0 H VAL A 815 -0.466 -7.292 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 815 1.507 -9.206 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 815 0.824 -10.407 -7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.484 -10.893 -6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.363 -10.805 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.459 -9.446 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -1.075 -9.558 -8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -1.037 -8.044 -8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.339 -8.484 -9.084 1.00 0.00 H new ATOM 619 N ASP A 816 2.463 -6.917 -7.463 1.00 0.00 N ATOM 620 CA ASP A 816 3.505 -6.377 -8.324 1.00 0.00 C ATOM 621 C ASP A 816 4.752 -6.021 -7.530 1.00 0.00 C ATOM 622 O ASP A 816 5.811 -6.622 -7.716 1.00 0.00 O ATOM 623 CB ASP A 816 2.997 -5.139 -9.056 1.00 0.00 C ATOM 624 CG ASP A 816 3.745 -4.878 -10.346 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.092 -5.849 -11.042 1.00 0.00 O ATOM 626 OD2 ASP A 816 3.967 -3.695 -10.676 1.00 0.00 O ATOM 0 H ASP A 816 1.891 -6.212 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 816 3.767 -7.148 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 816 1.936 -5.260 -9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.092 -4.271 -8.403 1.00 0.00 H new ATOM 631 N THR A 817 4.623 -5.054 -6.632 1.00 0.00 N ATOM 632 CA THR A 817 5.782 -4.535 -5.925 1.00 0.00 C ATOM 633 C THR A 817 6.032 -5.261 -4.606 1.00 0.00 C ATOM 634 O THR A 817 7.178 -5.427 -4.214 1.00 0.00 O ATOM 635 CB THR A 817 5.672 -3.007 -5.687 1.00 0.00 C ATOM 636 OG1 THR A 817 6.980 -2.421 -5.630 1.00 0.00 O ATOM 637 CG2 THR A 817 4.907 -2.681 -4.410 1.00 0.00 C ATOM 0 H THR A 817 3.736 -4.618 -6.379 1.00 0.00 H new ATOM 0 HA THR A 817 6.640 -4.721 -6.572 1.00 0.00 H new ATOM 0 HB THR A 817 5.116 -2.587 -6.525 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.334 -2.500 -4.720 1.00 0.00 H new ATOM 0 HG21 THR A 817 4.854 -1.600 -4.283 1.00 0.00 H new ATOM 0 HG22 THR A 817 3.898 -3.088 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 817 5.421 -3.122 -3.556 1.00 0.00 H new ATOM 645 N VAL A 818 4.980 -5.728 -3.940 1.00 0.00 N ATOM 646 CA VAL A 818 5.139 -6.311 -2.610 1.00 0.00 C ATOM 647 C VAL A 818 6.078 -7.529 -2.631 1.00 0.00 C ATOM 648 O VAL A 818 7.059 -7.553 -1.893 1.00 0.00 O ATOM 649 CB VAL A 818 3.785 -6.688 -1.971 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.989 -7.395 -0.638 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.929 -5.447 -1.785 1.00 0.00 C ATOM 0 H VAL A 818 4.023 -5.716 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 818 5.594 -5.538 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 818 3.270 -7.375 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 818 3.020 -7.650 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.567 -8.306 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.526 -6.737 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.977 -5.726 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.446 -4.742 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.749 -4.981 -2.754 1.00 0.00 H new ATOM 661 N PRO A 819 5.810 -8.554 -3.475 1.00 0.00 N ATOM 662 CA PRO A 819 6.707 -9.717 -3.606 1.00 0.00 C ATOM 663 C PRO A 819 8.121 -9.324 -4.039 1.00 0.00 C ATOM 664 O PRO A 819 9.100 -9.962 -3.648 1.00 0.00 O ATOM 665 CB PRO A 819 6.032 -10.572 -4.684 1.00 0.00 C ATOM 666 CG PRO A 819 4.603 -10.163 -4.637 1.00 0.00 C ATOM 667 CD PRO A 819 4.619 -8.696 -4.333 1.00 0.00 C ATOM 0 HA PRO A 819 6.839 -10.234 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.466 -10.388 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 819 6.148 -11.636 -4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 819 4.106 -10.362 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 819 4.061 -10.717 -3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.699 -8.096 -5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.711 -8.379 -3.820 1.00 0.00 H new ATOM 675 N ASP A 820 8.227 -8.264 -4.833 1.00 0.00 N ATOM 676 CA ASP A 820 9.527 -7.790 -5.307 1.00 0.00 C ATOM 677 C ASP A 820 10.278 -7.082 -4.187 1.00 0.00 C ATOM 678 O ASP A 820 11.468 -7.312 -3.985 1.00 0.00 O ATOM 679 CB ASP A 820 9.367 -6.845 -6.499 1.00 0.00 C ATOM 680 CG ASP A 820 10.681 -6.591 -7.212 1.00 0.00 C ATOM 681 OD1 ASP A 820 11.146 -7.485 -7.950 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.249 -5.494 -7.051 1.00 0.00 O ATOM 0 H ASP A 820 7.432 -7.716 -5.163 1.00 0.00 H new ATOM 0 HA ASP A 820 10.100 -8.660 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.650 -7.269 -7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 820 8.953 -5.897 -6.155 1.00 0.00 H new ATOM 687 N ASP A 821 9.568 -6.230 -3.459 1.00 0.00 N ATOM 688 CA ASP A 821 10.133 -5.522 -2.314 1.00 0.00 C ATOM 689 C ASP A 821 10.505 -6.520 -1.223 1.00 0.00 C ATOM 690 O ASP A 821 11.498 -6.349 -0.519 1.00 0.00 O ATOM 691 CB ASP A 821 9.133 -4.489 -1.771 1.00 0.00 C ATOM 692 CG ASP A 821 9.224 -3.143 -2.475 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.192 -2.390 -2.223 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.319 -2.824 -3.282 1.00 0.00 O ATOM 0 H ASP A 821 8.589 -6.010 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 821 11.030 -4.994 -2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.121 -4.880 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.309 -4.347 -0.705 1.00 0.00 H new ATOM 699 N VAL A 822 9.702 -7.571 -1.093 1.00 0.00 N ATOM 700 CA VAL A 822 10.002 -8.659 -0.170 1.00 0.00 C ATOM 701 C VAL A 822 11.276 -9.386 -0.610 1.00 0.00 C ATOM 702 O VAL A 822 12.144 -9.695 0.208 1.00 0.00 O ATOM 703 CB VAL A 822 8.819 -9.655 -0.072 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.265 -11.012 0.457 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.720 -9.082 0.811 1.00 0.00 C ATOM 0 H VAL A 822 8.836 -7.692 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 822 10.161 -8.230 0.820 1.00 0.00 H new ATOM 0 HB VAL A 822 8.430 -9.805 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.407 -11.682 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 822 10.014 -11.435 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.694 -10.892 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.895 -9.792 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 822 8.115 -8.898 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.362 -8.145 0.385 1.00 0.00 H new ATOM 715 N LYS A 823 11.387 -9.635 -1.911 1.00 0.00 N ATOM 716 CA LYS A 823 12.591 -10.234 -2.476 1.00 0.00 C ATOM 717 C LYS A 823 13.784 -9.312 -2.248 1.00 0.00 C ATOM 718 O LYS A 823 14.896 -9.768 -1.972 1.00 0.00 O ATOM 719 CB LYS A 823 12.408 -10.500 -3.973 1.00 0.00 C ATOM 720 CG LYS A 823 12.777 -11.915 -4.390 1.00 0.00 C ATOM 721 CD LYS A 823 13.379 -11.949 -5.784 1.00 0.00 C ATOM 722 CE LYS A 823 12.380 -12.461 -6.810 1.00 0.00 C ATOM 723 NZ LYS A 823 13.015 -13.362 -7.807 1.00 0.00 N ATOM 0 H LYS A 823 10.657 -9.431 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 823 12.775 -11.186 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.369 -10.310 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.018 -9.794 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 823 13.488 -12.331 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 823 11.889 -12.546 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 823 13.709 -10.948 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 823 14.262 -12.588 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 823 11.578 -12.994 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 823 11.924 -11.615 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 12.298 -13.687 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 13.764 -12.847 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 13.428 -14.183 -7.320 1.00 0.00 H new ATOM 737 N ARG A 824 13.538 -8.012 -2.361 1.00 0.00 N ATOM 738 CA ARG A 824 14.545 -7.009 -2.055 1.00 0.00 C ATOM 739 C ARG A 824 14.977 -7.133 -0.601 1.00 0.00 C ATOM 740 O ARG A 824 16.164 -7.170 -0.308 1.00 0.00 O ATOM 741 CB ARG A 824 14.000 -5.605 -2.320 1.00 0.00 C ATOM 742 CG ARG A 824 14.609 -4.942 -3.537 1.00 0.00 C ATOM 743 CD ARG A 824 13.597 -4.066 -4.265 1.00 0.00 C ATOM 744 NE ARG A 824 13.345 -4.529 -5.628 1.00 0.00 N ATOM 745 CZ ARG A 824 14.241 -4.490 -6.612 1.00 0.00 C ATOM 746 NH1 ARG A 824 15.428 -3.923 -6.419 1.00 0.00 N ATOM 747 NH2 ARG A 824 13.926 -4.988 -7.799 1.00 0.00 N ATOM 0 H ARG A 824 12.643 -7.628 -2.665 1.00 0.00 H new ATOM 0 HA ARG A 824 15.408 -7.175 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 824 12.919 -5.662 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.184 -4.981 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 824 15.463 -4.336 -3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 824 14.986 -5.706 -4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 824 12.660 -4.056 -3.708 1.00 0.00 H new ATOM 0 HD3 ARG A 824 13.962 -3.039 -4.294 1.00 0.00 H new ATOM 0 HE ARG A 824 12.422 -4.907 -5.839 1.00 0.00 H new ATOM 0 HH11 ARG A 824 15.657 -3.515 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 824 16.110 -3.897 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 824 13.004 -5.396 -7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 824 14.606 -4.963 -8.559 1.00 0.00 H new ATOM 761 N LEU A 825 14.001 -7.220 0.300 1.00 0.00 N ATOM 762 CA LEU A 825 14.274 -7.396 1.725 1.00 0.00 C ATOM 763 C LEU A 825 15.186 -8.597 1.951 1.00 0.00 C ATOM 764 O LEU A 825 16.152 -8.516 2.706 1.00 0.00 O ATOM 765 CB LEU A 825 12.966 -7.582 2.499 1.00 0.00 C ATOM 766 CG LEU A 825 12.264 -6.291 2.917 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.809 -6.564 3.258 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.976 -5.654 4.099 1.00 0.00 C ATOM 0 H LEU A 825 13.009 -7.171 0.067 1.00 0.00 H new ATOM 0 HA LEU A 825 14.777 -6.500 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.280 -8.166 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.173 -8.169 3.394 1.00 0.00 H new ATOM 0 HG LEU A 825 12.298 -5.595 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.324 -5.634 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.302 -6.976 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.756 -7.278 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.461 -4.736 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.973 -6.346 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.005 -5.423 3.823 1.00 0.00 H new ATOM 780 N TYR A 826 14.873 -9.702 1.279 1.00 0.00 N ATOM 781 CA TYR A 826 15.708 -10.899 1.324 1.00 0.00 C ATOM 782 C TYR A 826 17.135 -10.572 0.885 1.00 0.00 C ATOM 783 O TYR A 826 18.111 -11.005 1.506 1.00 0.00 O ATOM 784 CB TYR A 826 15.131 -11.978 0.402 1.00 0.00 C ATOM 785 CG TYR A 826 14.117 -12.892 1.055 1.00 0.00 C ATOM 786 CD1 TYR A 826 14.507 -13.867 1.966 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.769 -12.791 0.740 1.00 0.00 C ATOM 788 CE1 TYR A 826 13.578 -14.713 2.546 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.837 -13.634 1.312 1.00 0.00 C ATOM 790 CZ TYR A 826 12.244 -14.594 2.215 1.00 0.00 C ATOM 791 OH TYR A 826 11.315 -15.443 2.779 1.00 0.00 O ATOM 0 H TYR A 826 14.043 -9.793 0.694 1.00 0.00 H new ATOM 0 HA TYR A 826 15.725 -11.266 2.350 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.664 -11.493 -0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.951 -12.584 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 826 15.551 -13.966 2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.444 -12.040 0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 826 13.896 -15.463 3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.793 -13.542 1.053 1.00 0.00 H new ATOM 0 HH TYR A 826 10.422 -15.223 2.439 1.00 0.00 H new ATOM 801 N THR A 827 17.236 -9.778 -0.174 1.00 0.00 N ATOM 802 CA THR A 827 18.516 -9.457 -0.781 1.00 0.00 C ATOM 803 C THR A 827 19.337 -8.516 0.103 1.00 0.00 C ATOM 804 O THR A 827 20.523 -8.758 0.350 1.00 0.00 O ATOM 805 CB THR A 827 18.300 -8.811 -2.165 1.00 0.00 C ATOM 806 OG1 THR A 827 17.423 -9.629 -2.953 1.00 0.00 O ATOM 807 CG2 THR A 827 19.615 -8.624 -2.901 1.00 0.00 C ATOM 0 H THR A 827 16.436 -9.342 -0.632 1.00 0.00 H new ATOM 0 HA THR A 827 19.071 -10.388 -0.894 1.00 0.00 H new ATOM 0 HB THR A 827 17.852 -7.829 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.555 -9.704 -2.505 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.426 -8.167 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.270 -7.978 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 827 20.093 -9.593 -3.043 1.00 0.00 H new ATOM 815 N GLU A 828 18.702 -7.465 0.609 1.00 0.00 N ATOM 816 CA GLU A 828 19.389 -6.492 1.450 1.00 0.00 C ATOM 817 C GLU A 828 19.769 -7.121 2.788 1.00 0.00 C ATOM 818 O GLU A 828 20.791 -6.771 3.380 1.00 0.00 O ATOM 819 CB GLU A 828 18.524 -5.249 1.677 1.00 0.00 C ATOM 820 CG GLU A 828 17.740 -4.801 0.451 1.00 0.00 C ATOM 821 CD GLU A 828 18.619 -4.552 -0.761 1.00 0.00 C ATOM 822 OE1 GLU A 828 19.221 -3.462 -0.856 1.00 0.00 O ATOM 823 OE2 GLU A 828 18.700 -5.440 -1.631 1.00 0.00 O ATOM 0 H GLU A 828 17.714 -7.265 0.452 1.00 0.00 H new ATOM 0 HA GLU A 828 20.297 -6.183 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.824 -5.450 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.164 -4.430 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 828 16.998 -5.561 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 828 17.194 -3.888 0.690 1.00 0.00 H new ATOM 830 N ALA A 829 18.945 -8.060 3.250 1.00 0.00 N ATOM 831 CA ALA A 829 19.238 -8.802 4.470 1.00 0.00 C ATOM 832 C ALA A 829 20.507 -9.623 4.295 1.00 0.00 C ATOM 833 O ALA A 829 21.396 -9.595 5.143 1.00 0.00 O ATOM 834 CB ALA A 829 18.071 -9.702 4.845 1.00 0.00 C ATOM 0 H ALA A 829 18.070 -8.323 2.796 1.00 0.00 H new ATOM 0 HA ALA A 829 19.392 -8.088 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 829 18.310 -10.247 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 829 17.181 -9.095 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.884 -10.411 4.038 1.00 0.00 H new ATOM 840 N ALA A 830 20.599 -10.323 3.169 1.00 0.00 N ATOM 841 CA ALA A 830 21.770 -11.138 2.863 1.00 0.00 C ATOM 842 C ALA A 830 23.020 -10.270 2.721 1.00 0.00 C ATOM 843 O ALA A 830 24.133 -10.718 2.981 1.00 0.00 O ATOM 844 CB ALA A 830 21.534 -11.941 1.593 1.00 0.00 C ATOM 0 H ALA A 830 19.875 -10.342 2.451 1.00 0.00 H new ATOM 0 HA ALA A 830 21.931 -11.828 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.415 -12.545 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.672 -12.593 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.346 -11.261 0.762 1.00 0.00 H new ATOM 850 N THR A 831 22.825 -9.023 2.313 1.00 0.00 N ATOM 851 CA THR A 831 23.933 -8.086 2.156 1.00 0.00 C ATOM 852 C THR A 831 24.264 -7.398 3.484 1.00 0.00 C ATOM 853 O THR A 831 25.278 -6.711 3.604 1.00 0.00 O ATOM 854 CB THR A 831 23.607 -7.023 1.085 1.00 0.00 C ATOM 855 OG1 THR A 831 22.885 -7.627 0.001 1.00 0.00 O ATOM 856 CG2 THR A 831 24.874 -6.378 0.545 1.00 0.00 C ATOM 0 H THR A 831 21.910 -8.635 2.084 1.00 0.00 H new ATOM 0 HA THR A 831 24.803 -8.658 1.832 1.00 0.00 H new ATOM 0 HB THR A 831 22.997 -6.251 1.554 1.00 0.00 H new ATOM 0 HG1 THR A 831 21.943 -7.729 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.611 -5.634 -0.207 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.412 -5.895 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.507 -7.142 0.094 1.00 0.00 H new ATOM 864 N SER A 832 23.402 -7.606 4.484 1.00 0.00 N ATOM 865 CA SER A 832 23.553 -7.002 5.804 1.00 0.00 C ATOM 866 C SER A 832 23.487 -5.486 5.697 1.00 0.00 C ATOM 867 O SER A 832 24.119 -4.755 6.465 1.00 0.00 O ATOM 868 CB SER A 832 24.852 -7.450 6.489 1.00 0.00 C ATOM 869 OG SER A 832 25.350 -8.653 5.916 1.00 0.00 O ATOM 0 H SER A 832 22.578 -8.201 4.397 1.00 0.00 H new ATOM 0 HA SER A 832 22.728 -7.345 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.602 -6.664 6.400 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.672 -7.599 7.554 1.00 0.00 H new ATOM 0 HG SER A 832 26.178 -8.913 6.371 1.00 0.00 H new ATOM 875 N ASP A 833 22.703 -5.020 4.737 1.00 0.00 N ATOM 876 CA ASP A 833 22.507 -3.600 4.537 1.00 0.00 C ATOM 877 C ASP A 833 21.247 -3.160 5.255 1.00 0.00 C ATOM 878 O ASP A 833 20.189 -2.995 4.650 1.00 0.00 O ATOM 879 CB ASP A 833 22.424 -3.257 3.053 1.00 0.00 C ATOM 880 CG ASP A 833 23.130 -1.955 2.734 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.602 -0.877 3.085 1.00 0.00 O ATOM 882 OD2 ASP A 833 24.229 -2.003 2.147 1.00 0.00 O ATOM 0 H ASP A 833 22.191 -5.612 4.083 1.00 0.00 H new ATOM 0 HA ASP A 833 23.364 -3.068 4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.868 -4.063 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.378 -3.185 2.755 1.00 0.00 H new ATOM 887 N PHE A 834 21.374 -3.012 6.561 1.00 0.00 N ATOM 888 CA PHE A 834 20.264 -2.615 7.422 1.00 0.00 C ATOM 889 C PHE A 834 19.682 -1.263 7.012 1.00 0.00 C ATOM 890 O PHE A 834 18.491 -1.018 7.198 1.00 0.00 O ATOM 891 CB PHE A 834 20.718 -2.585 8.885 1.00 0.00 C ATOM 892 CG PHE A 834 21.423 -3.845 9.313 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.703 -4.984 9.637 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.807 -3.891 9.378 1.00 0.00 C ATOM 895 CE1 PHE A 834 21.351 -6.146 10.016 1.00 0.00 C ATOM 896 CE2 PHE A 834 23.459 -5.050 9.754 1.00 0.00 C ATOM 897 CZ PHE A 834 22.731 -6.178 10.075 1.00 0.00 C ATOM 0 H PHE A 834 22.250 -3.163 7.060 1.00 0.00 H new ATOM 0 HA PHE A 834 19.472 -3.356 7.309 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.384 -1.735 9.035 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.850 -2.427 9.525 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.624 -4.964 9.593 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.382 -3.011 9.132 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.779 -7.027 10.266 1.00 0.00 H new ATOM 0 HE2 PHE A 834 24.538 -5.073 9.797 1.00 0.00 H new ATOM 0 HZ PHE A 834 23.239 -7.084 10.372 1.00 0.00 H new ATOM 907 N ALA A 835 20.512 -0.394 6.448 1.00 0.00 N ATOM 908 CA ALA A 835 20.030 0.884 5.939 1.00 0.00 C ATOM 909 C ALA A 835 19.056 0.649 4.792 1.00 0.00 C ATOM 910 O ALA A 835 18.022 1.308 4.691 1.00 0.00 O ATOM 911 CB ALA A 835 21.192 1.756 5.485 1.00 0.00 C ATOM 0 H ALA A 835 21.514 -0.549 6.332 1.00 0.00 H new ATOM 0 HA ALA A 835 19.510 1.408 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 835 20.810 2.705 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 835 21.858 1.942 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.741 1.247 4.693 1.00 0.00 H new ATOM 917 N ALA A 836 19.374 -0.334 3.957 1.00 0.00 N ATOM 918 CA ALA A 836 18.534 -0.683 2.822 1.00 0.00 C ATOM 919 C ALA A 836 17.308 -1.440 3.305 1.00 0.00 C ATOM 920 O ALA A 836 16.214 -1.296 2.763 1.00 0.00 O ATOM 921 CB ALA A 836 19.311 -1.516 1.814 1.00 0.00 C ATOM 0 H ALA A 836 20.214 -0.906 4.048 1.00 0.00 H new ATOM 0 HA ALA A 836 18.214 0.234 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.664 -1.766 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.168 -0.947 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.658 -2.433 2.290 1.00 0.00 H new ATOM 927 N LEU A 837 17.506 -2.249 4.338 1.00 0.00 N ATOM 928 CA LEU A 837 16.417 -2.950 4.993 1.00 0.00 C ATOM 929 C LEU A 837 15.382 -1.957 5.506 1.00 0.00 C ATOM 930 O LEU A 837 14.190 -2.108 5.250 1.00 0.00 O ATOM 931 CB LEU A 837 16.965 -3.787 6.148 1.00 0.00 C ATOM 932 CG LEU A 837 16.580 -5.263 6.123 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.756 -5.844 4.729 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.404 -6.042 7.134 1.00 0.00 C ATOM 0 H LEU A 837 18.424 -2.435 4.742 1.00 0.00 H new ATOM 0 HA LEU A 837 15.934 -3.610 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 837 18.052 -3.712 6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.618 -3.354 7.086 1.00 0.00 H new ATOM 0 HG LEU A 837 15.528 -5.347 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 837 16.475 -6.897 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 837 16.121 -5.304 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.798 -5.748 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 837 17.118 -7.093 7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.462 -5.947 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 837 17.224 -5.645 8.133 1.00 0.00 H new ATOM 946 N ALA A 838 15.849 -0.932 6.210 1.00 0.00 N ATOM 947 CA ALA A 838 14.974 0.115 6.726 1.00 0.00 C ATOM 948 C ALA A 838 14.286 0.858 5.585 1.00 0.00 C ATOM 949 O ALA A 838 13.120 1.232 5.690 1.00 0.00 O ATOM 950 CB ALA A 838 15.764 1.084 7.590 1.00 0.00 C ATOM 0 H ALA A 838 16.835 -0.803 6.438 1.00 0.00 H new ATOM 0 HA ALA A 838 14.204 -0.353 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.098 1.860 7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.207 0.546 8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.554 1.542 6.994 1.00 0.00 H new ATOM 956 N GLN A 839 15.016 1.069 4.496 1.00 0.00 N ATOM 957 CA GLN A 839 14.459 1.722 3.318 1.00 0.00 C ATOM 958 C GLN A 839 13.340 0.882 2.708 1.00 0.00 C ATOM 959 O GLN A 839 12.273 1.401 2.376 1.00 0.00 O ATOM 960 CB GLN A 839 15.550 1.975 2.275 1.00 0.00 C ATOM 961 CG GLN A 839 16.445 3.159 2.604 1.00 0.00 C ATOM 962 CD GLN A 839 15.665 4.434 2.859 1.00 0.00 C ATOM 963 OE1 GLN A 839 15.143 4.649 3.953 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.572 5.286 1.852 1.00 0.00 N ATOM 0 H GLN A 839 15.995 0.797 4.405 1.00 0.00 H new ATOM 0 HA GLN A 839 14.043 2.679 3.632 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.165 1.080 2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.082 2.143 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.043 2.923 3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.140 3.323 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 839 16.019 5.072 0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 839 15.054 6.157 1.967 1.00 0.00 H new ATOM 973 N THR A 840 13.581 -0.415 2.570 1.00 0.00 N ATOM 974 CA THR A 840 12.584 -1.320 2.012 1.00 0.00 C ATOM 975 C THR A 840 11.409 -1.503 2.977 1.00 0.00 C ATOM 976 O THR A 840 10.264 -1.658 2.553 1.00 0.00 O ATOM 977 CB THR A 840 13.199 -2.690 1.662 1.00 0.00 C ATOM 978 OG1 THR A 840 14.518 -2.509 1.120 1.00 0.00 O ATOM 979 CG2 THR A 840 12.334 -3.432 0.654 1.00 0.00 C ATOM 0 H THR A 840 14.457 -0.864 2.836 1.00 0.00 H new ATOM 0 HA THR A 840 12.215 -0.867 1.092 1.00 0.00 H new ATOM 0 HB THR A 840 13.255 -3.282 2.575 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.157 -2.376 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.789 -4.395 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.341 -3.591 1.074 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.251 -2.842 -0.259 1.00 0.00 H new ATOM 987 N ALA A 841 11.692 -1.469 4.276 1.00 0.00 N ATOM 988 CA ALA A 841 10.640 -1.515 5.286 1.00 0.00 C ATOM 989 C ALA A 841 9.756 -0.279 5.176 1.00 0.00 C ATOM 990 O ALA A 841 8.533 -0.364 5.269 1.00 0.00 O ATOM 991 CB ALA A 841 11.244 -1.622 6.680 1.00 0.00 C ATOM 0 H ALA A 841 12.638 -1.410 4.653 1.00 0.00 H new ATOM 0 HA ALA A 841 10.025 -2.399 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.445 -1.655 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.841 -2.531 6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.879 -0.756 6.869 1.00 0.00 H new ATOM 997 N HIS A 842 10.393 0.869 4.962 1.00 0.00 N ATOM 998 CA HIS A 842 9.679 2.121 4.736 1.00 0.00 C ATOM 999 C HIS A 842 8.860 2.035 3.450 1.00 0.00 C ATOM 1000 O HIS A 842 7.785 2.624 3.346 1.00 0.00 O ATOM 1001 CB HIS A 842 10.680 3.293 4.679 1.00 0.00 C ATOM 1002 CG HIS A 842 10.223 4.484 3.883 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.753 4.816 2.653 1.00 0.00 N ATOM 1004 CD2 HIS A 842 9.283 5.426 4.148 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.161 5.903 2.198 1.00 0.00 C ATOM 1006 NE2 HIS A 842 9.265 6.294 3.084 1.00 0.00 N ATOM 0 H HIS A 842 11.409 0.957 4.940 1.00 0.00 H new ATOM 0 HA HIS A 842 8.991 2.298 5.563 1.00 0.00 H new ATOM 0 HB2 HIS A 842 10.895 3.617 5.697 1.00 0.00 H new ATOM 0 HB3 HIS A 842 11.617 2.930 4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 842 8.664 5.483 5.031 1.00 0.00 H new ATOM 0 HE1 HIS A 842 10.374 6.391 1.258 1.00 0.00 H new ATOM 0 HE2 HIS A 842 8.658 7.108 2.993 1.00 0.00 H new ATOM 1015 N ARG A 843 9.375 1.297 2.479 1.00 0.00 N ATOM 1016 CA ARG A 843 8.674 1.086 1.221 1.00 0.00 C ATOM 1017 C ARG A 843 7.385 0.311 1.461 1.00 0.00 C ATOM 1018 O ARG A 843 6.311 0.725 1.025 1.00 0.00 O ATOM 1019 CB ARG A 843 9.563 0.326 0.238 1.00 0.00 C ATOM 1020 CG ARG A 843 9.709 1.011 -1.105 1.00 0.00 C ATOM 1021 CD ARG A 843 8.638 0.555 -2.078 1.00 0.00 C ATOM 1022 NE ARG A 843 8.789 1.196 -3.381 1.00 0.00 N ATOM 1023 CZ ARG A 843 9.451 0.658 -4.404 1.00 0.00 C ATOM 1024 NH1 ARG A 843 9.964 -0.566 -4.309 1.00 0.00 N ATOM 1025 NH2 ARG A 843 9.578 1.347 -5.530 1.00 0.00 N ATOM 0 H ARG A 843 10.281 0.832 2.538 1.00 0.00 H new ATOM 0 HA ARG A 843 8.429 2.058 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.551 0.198 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.150 -0.671 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 843 9.647 2.091 -0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 843 10.694 0.797 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.690 -0.527 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 843 7.653 0.785 -1.671 1.00 0.00 H new ATOM 0 HE ARG A 843 8.361 2.112 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 843 9.852 -1.101 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 843 10.469 -0.970 -5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 843 9.171 2.279 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 843 10.083 0.945 -6.320 1.00 0.00 H new ATOM 1039 N LEU A 844 7.498 -0.795 2.184 1.00 0.00 N ATOM 1040 CA LEU A 844 6.351 -1.649 2.471 1.00 0.00 C ATOM 1041 C LEU A 844 5.366 -0.924 3.375 1.00 0.00 C ATOM 1042 O LEU A 844 4.151 -0.999 3.181 1.00 0.00 O ATOM 1043 CB LEU A 844 6.810 -2.953 3.125 1.00 0.00 C ATOM 1044 CG LEU A 844 6.825 -4.168 2.199 1.00 0.00 C ATOM 1045 CD1 LEU A 844 8.241 -4.465 1.733 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.227 -5.377 2.898 1.00 0.00 C ATOM 0 H LEU A 844 8.376 -1.124 2.585 1.00 0.00 H new ATOM 0 HA LEU A 844 5.852 -1.887 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.813 -2.808 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.157 -3.167 3.971 1.00 0.00 H new ATOM 0 HG LEU A 844 6.216 -3.942 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 844 8.233 -5.333 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.634 -3.604 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 844 8.873 -4.671 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.246 -6.233 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 844 6.809 -5.606 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 844 5.197 -5.161 3.181 1.00 0.00 H new ATOM 1058 N LYS A 845 5.905 -0.212 4.356 1.00 0.00 N ATOM 1059 CA LYS A 845 5.102 0.620 5.239 1.00 0.00 C ATOM 1060 C LYS A 845 4.312 1.639 4.424 1.00 0.00 C ATOM 1061 O LYS A 845 3.118 1.842 4.645 1.00 0.00 O ATOM 1062 CB LYS A 845 6.015 1.331 6.245 1.00 0.00 C ATOM 1063 CG LYS A 845 5.317 2.380 7.094 1.00 0.00 C ATOM 1064 CD LYS A 845 6.315 3.167 7.930 1.00 0.00 C ATOM 1065 CE LYS A 845 7.046 2.276 8.926 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.535 3.042 10.103 1.00 0.00 N ATOM 0 H LYS A 845 6.904 -0.195 4.560 1.00 0.00 H new ATOM 0 HA LYS A 845 4.396 -0.008 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 845 6.460 0.585 6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.833 1.805 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.761 3.062 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.591 1.897 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 845 7.039 3.648 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.794 3.960 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.378 1.483 9.262 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.889 1.794 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.535 2.813 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.440 4.061 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.973 2.788 10.940 1.00 0.00 H new ATOM 1080 N GLY A 846 4.989 2.247 3.459 1.00 0.00 N ATOM 1081 CA GLY A 846 4.374 3.263 2.634 1.00 0.00 C ATOM 1082 C GLY A 846 3.327 2.712 1.684 1.00 0.00 C ATOM 1083 O GLY A 846 2.268 3.313 1.515 1.00 0.00 O ATOM 0 H GLY A 846 5.964 2.050 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.913 4.013 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 846 5.147 3.770 2.057 1.00 0.00 H new ATOM 1087 N VAL A 847 3.612 1.573 1.054 1.00 0.00 N ATOM 1088 CA VAL A 847 2.677 1.000 0.092 1.00 0.00 C ATOM 1089 C VAL A 847 1.432 0.460 0.789 1.00 0.00 C ATOM 1090 O VAL A 847 0.320 0.632 0.296 1.00 0.00 O ATOM 1091 CB VAL A 847 3.314 -0.107 -0.785 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.380 0.483 -1.696 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.890 -1.237 0.057 1.00 0.00 C ATOM 0 H VAL A 847 4.469 1.037 1.190 1.00 0.00 H new ATOM 0 HA VAL A 847 2.392 1.816 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 847 2.523 -0.534 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.817 -0.308 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.929 1.233 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 847 5.159 0.947 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.327 -1.992 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.660 -0.841 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.096 -1.688 0.652 1.00 0.00 H new ATOM 1103 N PHE A 848 1.610 -0.158 1.952 1.00 0.00 N ATOM 1104 CA PHE A 848 0.478 -0.679 2.706 1.00 0.00 C ATOM 1105 C PHE A 848 -0.356 0.473 3.256 1.00 0.00 C ATOM 1106 O PHE A 848 -1.586 0.428 3.233 1.00 0.00 O ATOM 1107 CB PHE A 848 0.952 -1.610 3.826 1.00 0.00 C ATOM 1108 CG PHE A 848 1.250 -3.008 3.343 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.590 -3.535 2.241 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.188 -3.797 3.989 1.00 0.00 C ATOM 1111 CE1 PHE A 848 0.861 -4.816 1.794 1.00 0.00 C ATOM 1112 CE2 PHE A 848 2.465 -5.080 3.547 1.00 0.00 C ATOM 1113 CZ PHE A 848 1.799 -5.591 2.448 1.00 0.00 C ATOM 0 H PHE A 848 2.519 -0.309 2.389 1.00 0.00 H new ATOM 0 HA PHE A 848 -0.150 -1.267 2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 848 1.848 -1.191 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.188 -1.655 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.146 -2.936 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 848 2.711 -3.406 4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.339 -5.210 0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 848 3.201 -5.681 4.060 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.011 -6.592 2.102 1.00 0.00 H new ATOM 1123 N ALA A 849 0.317 1.525 3.712 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.368 2.726 4.171 1.00 0.00 C ATOM 1125 C ALA A 849 -1.143 3.373 3.026 1.00 0.00 C ATOM 1126 O ALA A 849 -2.194 3.978 3.239 1.00 0.00 O ATOM 1127 CB ALA A 849 0.625 3.712 4.764 1.00 0.00 C ATOM 0 H ALA A 849 1.334 1.569 3.773 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.077 2.440 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 849 0.096 4.603 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 849 1.135 3.251 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 849 1.358 3.990 4.007 1.00 0.00 H new ATOM 1133 N MET A 850 -0.620 3.231 1.811 1.00 0.00 N ATOM 1134 CA MET A 850 -1.286 3.739 0.615 1.00 0.00 C ATOM 1135 C MET A 850 -2.585 2.981 0.369 1.00 0.00 C ATOM 1136 O MET A 850 -3.625 3.583 0.100 1.00 0.00 O ATOM 1137 CB MET A 850 -0.358 3.612 -0.601 1.00 0.00 C ATOM 1138 CG MET A 850 -1.068 3.712 -1.945 1.00 0.00 C ATOM 1139 SD MET A 850 -1.337 2.103 -2.717 1.00 0.00 S ATOM 1140 CE MET A 850 0.326 1.688 -3.240 1.00 0.00 C ATOM 0 H MET A 850 0.269 2.765 1.628 1.00 0.00 H new ATOM 0 HA MET A 850 -1.522 4.792 0.768 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.402 4.391 -0.546 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.162 2.655 -0.548 1.00 0.00 H new ATOM 0 HG2 MET A 850 -2.028 4.209 -1.807 1.00 0.00 H new ATOM 0 HG3 MET A 850 -0.479 4.338 -2.616 1.00 0.00 H new ATOM 0 HE1 MET A 850 0.379 1.699 -4.329 1.00 0.00 H new ATOM 0 HE2 MET A 850 1.027 2.418 -2.835 1.00 0.00 H new ATOM 0 HE3 MET A 850 0.585 0.694 -2.875 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.520 1.659 0.477 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.700 0.815 0.304 1.00 0.00 C ATOM 1152 C LEU A 851 -4.603 0.904 1.528 1.00 0.00 C ATOM 1153 O LEU A 851 -5.716 0.379 1.528 1.00 0.00 O ATOM 1154 CB LEU A 851 -3.290 -0.641 0.065 1.00 0.00 C ATOM 1155 CG LEU A 851 -2.179 -0.851 -0.969 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.246 -1.970 -0.530 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.770 -1.167 -2.334 1.00 0.00 C ATOM 0 H LEU A 851 -1.663 1.147 0.684 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.249 1.173 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.966 -1.069 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -4.170 -1.201 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.605 0.073 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.463 -2.105 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.794 -1.712 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.812 -2.896 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.965 -1.313 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -3.368 -2.076 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -3.401 -0.339 -2.658 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.084 1.546 2.577 1.00 0.00 N ATOM 1170 CA ASN A 852 -4.823 1.793 3.819 1.00 0.00 C ATOM 1171 C ASN A 852 -4.873 0.526 4.652 1.00 0.00 C ATOM 1172 O ASN A 852 -5.762 0.335 5.481 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.238 2.324 3.554 1.00 0.00 C ATOM 1174 CG ASN A 852 -6.609 3.468 4.477 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.192 3.263 5.544 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.280 4.687 4.073 1.00 0.00 N ATOM 0 H ASN A 852 -3.132 1.912 2.589 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.292 2.567 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.310 2.658 2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -6.956 1.514 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -6.509 5.495 4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -5.798 4.817 3.184 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.895 -0.335 4.417 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.738 -1.562 5.172 1.00 0.00 C ATOM 1185 C LEU A 853 -2.986 -1.272 6.466 1.00 0.00 C ATOM 1186 O LEU A 853 -1.761 -1.406 6.530 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.987 -2.605 4.337 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.868 -3.661 3.661 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -3.012 -4.661 2.900 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.738 -4.376 4.688 1.00 0.00 C ATOM 0 H LEU A 853 -3.188 -0.199 3.695 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.722 -1.963 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.415 -2.087 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.269 -3.113 4.981 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.523 -3.155 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.654 -5.404 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -2.436 -4.139 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -2.332 -5.158 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -5.355 -5.121 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -4.102 -4.868 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -5.380 -3.651 5.189 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.731 -0.866 7.487 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.154 -0.457 8.762 1.00 0.00 C ATOM 1204 C VAL A 854 -2.331 -1.585 9.399 1.00 0.00 C ATOM 1205 O VAL A 854 -1.156 -1.383 9.702 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.238 0.035 9.750 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -3.601 0.675 10.974 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.182 1.016 9.068 1.00 0.00 C ATOM 0 H VAL A 854 -4.749 -0.811 7.455 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.485 0.376 8.548 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.816 -0.830 10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.382 1.014 11.655 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -2.970 -0.056 11.480 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -2.994 1.526 10.665 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -5.937 1.350 9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -4.616 1.876 8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -5.670 0.526 8.226 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.915 -2.789 9.605 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.186 -3.933 10.175 1.00 0.00 C ATOM 1220 C PRO A 855 -0.921 -4.268 9.382 1.00 0.00 C ATOM 1221 O PRO A 855 0.119 -4.588 9.960 1.00 0.00 O ATOM 1222 CB PRO A 855 -3.193 -5.091 10.094 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.258 -4.623 9.158 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.318 -3.137 9.329 1.00 0.00 C ATOM 0 HA PRO A 855 -1.843 -3.727 11.189 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.718 -6.000 9.726 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -3.606 -5.322 11.076 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.020 -4.890 8.128 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -5.217 -5.084 9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.690 -2.640 8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.976 -2.850 10.149 1.00 0.00 H new ATOM 1232 N GLY A 856 -1.009 -4.164 8.060 1.00 0.00 N ATOM 1233 CA GLY A 856 0.139 -4.437 7.217 1.00 0.00 C ATOM 1234 C GLY A 856 1.237 -3.416 7.423 1.00 0.00 C ATOM 1235 O GLY A 856 2.404 -3.770 7.605 1.00 0.00 O ATOM 0 H GLY A 856 -1.855 -3.895 7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.523 -5.434 7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 856 -0.168 -4.436 6.171 1.00 0.00 H new ATOM 1239 N LYS A 857 0.856 -2.145 7.415 1.00 0.00 N ATOM 1240 CA LYS A 857 1.798 -1.065 7.664 1.00 0.00 C ATOM 1241 C LYS A 857 2.382 -1.199 9.068 1.00 0.00 C ATOM 1242 O LYS A 857 3.571 -0.978 9.273 1.00 0.00 O ATOM 1243 CB LYS A 857 1.105 0.295 7.484 1.00 0.00 C ATOM 1244 CG LYS A 857 1.727 1.430 8.287 1.00 0.00 C ATOM 1245 CD LYS A 857 0.830 2.659 8.299 1.00 0.00 C ATOM 1246 CE LYS A 857 0.669 3.216 9.704 1.00 0.00 C ATOM 1247 NZ LYS A 857 1.698 4.242 10.015 1.00 0.00 N ATOM 0 H LYS A 857 -0.101 -1.838 7.238 1.00 0.00 H new ATOM 0 HA LYS A 857 2.614 -1.127 6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 857 1.124 0.561 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 857 0.058 0.196 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 857 1.906 1.098 9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 857 2.697 1.690 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 857 1.252 3.425 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -0.149 2.401 7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -0.324 3.654 9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 857 0.737 2.403 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 1.494 4.669 10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 2.637 3.796 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 1.685 4.980 9.283 1.00 0.00 H new ATOM 1261 N GLN A 858 1.536 -1.592 10.019 1.00 0.00 N ATOM 1262 CA GLN A 858 1.958 -1.797 11.401 1.00 0.00 C ATOM 1263 C GLN A 858 2.999 -2.905 11.500 1.00 0.00 C ATOM 1264 O GLN A 858 3.936 -2.817 12.294 1.00 0.00 O ATOM 1265 CB GLN A 858 0.755 -2.128 12.282 1.00 0.00 C ATOM 1266 CG GLN A 858 0.048 -0.900 12.823 1.00 0.00 C ATOM 1267 CD GLN A 858 -1.159 -1.247 13.667 1.00 0.00 C ATOM 1268 OE1 GLN A 858 -2.264 -1.403 13.156 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.954 -1.366 14.967 1.00 0.00 N ATOM 0 H GLN A 858 0.546 -1.776 9.854 1.00 0.00 H new ATOM 0 HA GLN A 858 2.412 -0.870 11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 858 0.045 -2.723 11.707 1.00 0.00 H new ATOM 0 HB3 GLN A 858 1.085 -2.746 13.117 1.00 0.00 H new ATOM 0 HG2 GLN A 858 0.748 -0.316 13.420 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -0.265 -0.269 11.991 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -0.019 -1.228 15.351 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.731 -1.596 15.587 1.00 0.00 H new ATOM 1278 N LEU A 859 2.830 -3.946 10.695 1.00 0.00 N ATOM 1279 CA LEU A 859 3.817 -5.012 10.614 1.00 0.00 C ATOM 1280 C LEU A 859 5.148 -4.441 10.139 1.00 0.00 C ATOM 1281 O LEU A 859 6.209 -4.773 10.670 1.00 0.00 O ATOM 1282 CB LEU A 859 3.349 -6.114 9.660 1.00 0.00 C ATOM 1283 CG LEU A 859 2.759 -7.353 10.334 1.00 0.00 C ATOM 1284 CD1 LEU A 859 1.586 -7.884 9.530 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.821 -8.429 10.491 1.00 0.00 C ATOM 0 H LEU A 859 2.019 -4.074 10.090 1.00 0.00 H new ATOM 0 HA LEU A 859 3.942 -5.449 11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 859 2.601 -5.696 8.987 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.194 -6.423 9.045 1.00 0.00 H new ATOM 0 HG LEU A 859 2.403 -7.070 11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.177 -8.766 10.023 1.00 0.00 H new ATOM 0 HD12 LEU A 859 0.815 -7.117 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 859 1.923 -8.151 8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 859 3.384 -9.304 10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.204 -8.708 9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.638 -8.048 11.104 1.00 0.00 H new ATOM 1297 N CYS A 860 5.080 -3.559 9.153 1.00 0.00 N ATOM 1298 CA CYS A 860 6.267 -2.894 8.640 1.00 0.00 C ATOM 1299 C CYS A 860 6.856 -1.935 9.679 1.00 0.00 C ATOM 1300 O CYS A 860 8.064 -1.708 9.705 1.00 0.00 O ATOM 1301 CB CYS A 860 5.933 -2.150 7.352 1.00 0.00 C ATOM 1302 SG CYS A 860 4.968 -3.128 6.178 1.00 0.00 S ATOM 0 H CYS A 860 4.212 -3.287 8.691 1.00 0.00 H new ATOM 0 HA CYS A 860 7.019 -3.653 8.425 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.379 -1.245 7.599 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.860 -1.835 6.873 1.00 0.00 H new ATOM 0 HG CYS A 860 3.889 -3.562 6.759 1.00 0.00 H new ATOM 1308 N GLU A 861 6.002 -1.378 10.534 1.00 0.00 N ATOM 1309 CA GLU A 861 6.462 -0.517 11.620 1.00 0.00 C ATOM 1310 C GLU A 861 7.360 -1.302 12.569 1.00 0.00 C ATOM 1311 O GLU A 861 8.476 -0.883 12.879 1.00 0.00 O ATOM 1312 CB GLU A 861 5.279 0.063 12.404 1.00 0.00 C ATOM 1313 CG GLU A 861 4.299 0.856 11.556 1.00 0.00 C ATOM 1314 CD GLU A 861 4.640 2.327 11.475 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.714 2.725 11.970 1.00 0.00 O ATOM 1316 OE2 GLU A 861 3.845 3.090 10.897 1.00 0.00 O ATOM 0 H GLU A 861 4.991 -1.507 10.496 1.00 0.00 H new ATOM 0 HA GLU A 861 7.025 0.305 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.744 -0.753 12.890 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.663 0.708 13.195 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.278 0.438 10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.297 0.744 11.969 1.00 0.00 H new ATOM 1323 N THR A 862 6.865 -2.450 13.021 1.00 0.00 N ATOM 1324 CA THR A 862 7.628 -3.314 13.908 1.00 0.00 C ATOM 1325 C THR A 862 8.870 -3.852 13.203 1.00 0.00 C ATOM 1326 O THR A 862 9.912 -4.030 13.828 1.00 0.00 O ATOM 1327 CB THR A 862 6.776 -4.488 14.427 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.421 -4.059 14.624 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.339 -5.033 15.734 1.00 0.00 C ATOM 0 H THR A 862 5.937 -2.802 12.786 1.00 0.00 H new ATOM 0 HA THR A 862 7.934 -2.709 14.762 1.00 0.00 H new ATOM 0 HB THR A 862 6.801 -5.284 13.682 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.884 -4.810 14.952 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.720 -5.861 16.080 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.358 -5.385 15.573 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.342 -4.244 16.486 1.00 0.00 H new ATOM 1337 N LEU A 863 8.758 -4.095 11.898 1.00 0.00 N ATOM 1338 CA LEU A 863 9.908 -4.511 11.103 1.00 0.00 C ATOM 1339 C LEU A 863 10.976 -3.425 11.124 1.00 0.00 C ATOM 1340 O LEU A 863 12.146 -3.701 11.386 1.00 0.00 O ATOM 1341 CB LEU A 863 9.497 -4.809 9.658 1.00 0.00 C ATOM 1342 CG LEU A 863 9.891 -6.193 9.129 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.740 -6.247 7.617 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.316 -6.547 9.533 1.00 0.00 C ATOM 0 H LEU A 863 7.887 -4.011 11.373 1.00 0.00 H new ATOM 0 HA LEU A 863 10.312 -5.424 11.540 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.415 -4.704 9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.940 -4.053 9.010 1.00 0.00 H new ATOM 0 HG LEU A 863 9.220 -6.928 9.574 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.024 -7.236 7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.703 -6.047 7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 863 10.385 -5.496 7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.570 -7.533 9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.005 -5.808 9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.395 -6.553 10.620 1.00 0.00 H new ATOM 1356 N GLU A 864 10.562 -2.187 10.867 1.00 0.00 N ATOM 1357 CA GLU A 864 11.461 -1.042 10.941 1.00 0.00 C ATOM 1358 C GLU A 864 12.088 -0.956 12.327 1.00 0.00 C ATOM 1359 O GLU A 864 13.280 -0.704 12.468 1.00 0.00 O ATOM 1360 CB GLU A 864 10.701 0.249 10.636 1.00 0.00 C ATOM 1361 CG GLU A 864 11.264 1.037 9.463 1.00 0.00 C ATOM 1362 CD GLU A 864 10.711 2.447 9.400 1.00 0.00 C ATOM 1363 OE1 GLU A 864 10.134 2.911 10.408 1.00 0.00 O ATOM 1364 OE2 GLU A 864 10.838 3.100 8.347 1.00 0.00 O ATOM 0 H GLU A 864 9.605 -1.952 10.605 1.00 0.00 H new ATOM 0 HA GLU A 864 12.250 -1.172 10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.659 0.005 10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.710 0.882 11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.350 1.078 9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 864 11.033 0.516 8.534 1.00 0.00 H new ATOM 1371 N HIS A 865 11.268 -1.188 13.344 1.00 0.00 N ATOM 1372 CA HIS A 865 11.720 -1.200 14.730 1.00 0.00 C ATOM 1373 C HIS A 865 12.754 -2.304 14.958 1.00 0.00 C ATOM 1374 O HIS A 865 13.729 -2.112 15.677 1.00 0.00 O ATOM 1375 CB HIS A 865 10.514 -1.406 15.656 1.00 0.00 C ATOM 1376 CG HIS A 865 10.705 -0.907 17.056 1.00 0.00 C ATOM 1377 ND1 HIS A 865 9.733 -0.214 17.742 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.747 -1.028 17.909 1.00 0.00 C ATOM 1379 CE1 HIS A 865 10.172 0.075 18.950 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.392 -0.411 19.081 1.00 0.00 N ATOM 0 H HIS A 865 10.271 -1.373 13.232 1.00 0.00 H new ATOM 0 HA HIS A 865 12.194 -0.244 14.953 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.650 -0.904 15.221 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.280 -2.470 15.693 1.00 0.00 H new ATOM 0 HD2 HIS A 865 12.686 -1.520 17.705 1.00 0.00 H new ATOM 0 HE1 HIS A 865 9.625 0.619 19.706 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.974 -0.340 19.915 1.00 0.00 H new ATOM 1389 N LEU A 866 12.541 -3.458 14.348 1.00 0.00 N ATOM 1390 CA LEU A 866 13.474 -4.568 14.483 1.00 0.00 C ATOM 1391 C LEU A 866 14.790 -4.248 13.782 1.00 0.00 C ATOM 1392 O LEU A 866 15.867 -4.531 14.307 1.00 0.00 O ATOM 1393 CB LEU A 866 12.865 -5.852 13.917 1.00 0.00 C ATOM 1394 CG LEU A 866 11.769 -6.475 14.782 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.846 -7.343 13.941 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.381 -7.283 15.913 1.00 0.00 C ATOM 0 H LEU A 866 11.733 -3.652 13.756 1.00 0.00 H new ATOM 0 HA LEU A 866 13.676 -4.720 15.543 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.453 -5.638 12.931 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.660 -6.585 13.779 1.00 0.00 H new ATOM 0 HG LEU A 866 11.175 -5.670 15.215 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.074 -7.776 14.577 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.379 -6.734 13.167 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.423 -8.142 13.475 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.587 -7.720 16.519 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.000 -8.078 15.498 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.995 -6.632 16.534 1.00 0.00 H new ATOM 1408 N ILE A 867 14.698 -3.645 12.602 1.00 0.00 N ATOM 1409 CA ILE A 867 15.882 -3.243 11.850 1.00 0.00 C ATOM 1410 C ILE A 867 16.624 -2.114 12.567 1.00 0.00 C ATOM 1411 O ILE A 867 17.851 -2.126 12.658 1.00 0.00 O ATOM 1412 CB ILE A 867 15.519 -2.796 10.415 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.845 -3.942 9.656 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.758 -2.326 9.663 1.00 0.00 C ATOM 1415 CD1 ILE A 867 13.890 -3.476 8.579 1.00 0.00 C ATOM 0 H ILE A 867 13.814 -3.423 12.144 1.00 0.00 H new ATOM 0 HA ILE A 867 16.533 -4.115 11.785 1.00 0.00 H new ATOM 0 HB ILE A 867 14.823 -1.960 10.485 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.614 -4.568 9.202 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.303 -4.567 10.365 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.477 -2.017 8.656 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.206 -1.483 10.190 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.479 -3.141 9.604 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.450 -4.341 8.084 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.100 -2.875 9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.431 -2.876 7.848 1.00 0.00 H new ATOM 1427 N ARG A 868 15.868 -1.153 13.088 1.00 0.00 N ATOM 1428 CA ARG A 868 16.441 -0.023 13.814 1.00 0.00 C ATOM 1429 C ARG A 868 17.134 -0.491 15.093 1.00 0.00 C ATOM 1430 O ARG A 868 18.105 0.116 15.543 1.00 0.00 O ATOM 1431 CB ARG A 868 15.351 1.011 14.147 1.00 0.00 C ATOM 1432 CG ARG A 868 14.534 0.677 15.376 1.00 0.00 C ATOM 1433 CD ARG A 868 14.761 1.669 16.495 1.00 0.00 C ATOM 1434 NE ARG A 868 14.705 3.057 16.036 1.00 0.00 N ATOM 1435 CZ ARG A 868 15.420 4.046 16.569 1.00 0.00 C ATOM 1436 NH1 ARG A 868 16.294 3.792 17.535 1.00 0.00 N ATOM 1437 NH2 ARG A 868 15.280 5.285 16.117 1.00 0.00 N ATOM 0 H ARG A 868 14.850 -1.134 13.021 1.00 0.00 H new ATOM 0 HA ARG A 868 17.187 0.447 13.173 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.821 1.984 14.290 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.680 1.103 13.293 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.476 0.661 15.115 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.792 -0.324 15.721 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.010 1.516 17.270 1.00 0.00 H new ATOM 0 HD3 ARG A 868 15.733 1.480 16.952 1.00 0.00 H new ATOM 0 HE ARG A 868 14.081 3.281 15.261 1.00 0.00 H new ATOM 0 HH11 ARG A 868 16.420 2.837 17.871 1.00 0.00 H new ATOM 0 HH12 ARG A 868 16.840 4.552 17.941 1.00 0.00 H new ATOM 0 HH21 ARG A 868 14.624 5.481 15.361 1.00 0.00 H new ATOM 0 HH22 ARG A 868 15.828 6.042 16.526 1.00 0.00 H new ATOM 1451 N GLU A 869 16.626 -1.567 15.683 1.00 0.00 N ATOM 1452 CA GLU A 869 17.210 -2.114 16.900 1.00 0.00 C ATOM 1453 C GLU A 869 18.287 -3.141 16.556 1.00 0.00 C ATOM 1454 O GLU A 869 18.970 -3.664 17.442 1.00 0.00 O ATOM 1455 CB GLU A 869 16.126 -2.750 17.775 1.00 0.00 C ATOM 1456 CG GLU A 869 15.218 -1.738 18.457 1.00 0.00 C ATOM 1457 CD GLU A 869 15.861 -1.071 19.656 1.00 0.00 C ATOM 1458 OE1 GLU A 869 17.044 -0.688 19.569 1.00 0.00 O ATOM 1459 OE2 GLU A 869 15.176 -0.910 20.687 1.00 0.00 O ATOM 0 H GLU A 869 15.812 -2.077 15.338 1.00 0.00 H new ATOM 0 HA GLU A 869 17.671 -1.300 17.459 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.518 -3.414 17.160 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.602 -3.368 18.536 1.00 0.00 H new ATOM 0 HG2 GLU A 869 14.930 -0.974 17.735 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.303 -2.237 18.775 1.00 0.00 H new ATOM 1466 N LYS A 870 18.426 -3.407 15.255 1.00 0.00 N ATOM 1467 CA LYS A 870 19.412 -4.350 14.728 1.00 0.00 C ATOM 1468 C LYS A 870 19.191 -5.754 15.285 1.00 0.00 C ATOM 1469 O LYS A 870 20.142 -6.473 15.602 1.00 0.00 O ATOM 1470 CB LYS A 870 20.836 -3.869 15.023 1.00 0.00 C ATOM 1471 CG LYS A 870 21.192 -2.570 14.317 1.00 0.00 C ATOM 1472 CD LYS A 870 21.789 -2.828 12.942 1.00 0.00 C ATOM 1473 CE LYS A 870 22.461 -1.585 12.379 1.00 0.00 C ATOM 1474 NZ LYS A 870 23.946 -1.701 12.378 1.00 0.00 N ATOM 0 H LYS A 870 17.853 -2.970 14.533 1.00 0.00 H new ATOM 0 HA LYS A 870 19.282 -4.396 13.647 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.950 -3.733 16.098 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.543 -4.643 14.723 1.00 0.00 H new ATOM 0 HG2 LYS A 870 20.299 -1.953 14.217 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.902 -2.008 14.923 1.00 0.00 H new ATOM 0 HD2 LYS A 870 22.516 -3.637 13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.005 -3.158 12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.111 -1.414 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 870 22.166 -0.716 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 24.362 -0.832 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 24.284 -1.838 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 24.230 -2.514 11.795 1.00 0.00 H new ATOM 1488 N ASP A 871 17.927 -6.144 15.392 1.00 0.00 N ATOM 1489 CA ASP A 871 17.571 -7.475 15.865 1.00 0.00 C ATOM 1490 C ASP A 871 17.396 -8.414 14.682 1.00 0.00 C ATOM 1491 O ASP A 871 16.279 -8.634 14.213 1.00 0.00 O ATOM 1492 CB ASP A 871 16.286 -7.430 16.696 1.00 0.00 C ATOM 1493 CG ASP A 871 16.116 -8.660 17.563 1.00 0.00 C ATOM 1494 OD1 ASP A 871 16.803 -8.761 18.603 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.294 -9.529 17.221 1.00 0.00 O ATOM 0 H ASP A 871 17.129 -5.554 15.156 1.00 0.00 H new ATOM 0 HA ASP A 871 18.376 -7.844 16.500 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.296 -6.542 17.328 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.429 -7.337 16.029 1.00 0.00 H new ATOM 1500 N VAL A 872 18.515 -8.950 14.201 1.00 0.00 N ATOM 1501 CA VAL A 872 18.536 -9.804 13.007 1.00 0.00 C ATOM 1502 C VAL A 872 17.469 -10.909 13.042 1.00 0.00 C ATOM 1503 O VAL A 872 16.664 -11.008 12.112 1.00 0.00 O ATOM 1504 CB VAL A 872 19.924 -10.448 12.773 1.00 0.00 C ATOM 1505 CG1 VAL A 872 20.221 -10.546 11.284 1.00 0.00 C ATOM 1506 CG2 VAL A 872 21.020 -9.668 13.486 1.00 0.00 C ATOM 0 H VAL A 872 19.432 -8.808 14.623 1.00 0.00 H new ATOM 0 HA VAL A 872 18.308 -9.134 12.178 1.00 0.00 H new ATOM 0 HB VAL A 872 19.903 -11.454 13.191 1.00 0.00 H new ATOM 0 HG11 VAL A 872 21.201 -11.001 11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.460 -11.159 10.801 1.00 0.00 H new ATOM 0 HG13 VAL A 872 20.215 -9.548 10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.983 -10.144 13.303 1.00 0.00 H new ATOM 0 HG22 VAL A 872 21.043 -8.646 13.109 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.819 -9.655 14.557 1.00 0.00 H new ATOM 1516 N PRO A 873 17.434 -11.750 14.103 1.00 0.00 N ATOM 1517 CA PRO A 873 16.458 -12.844 14.209 1.00 0.00 C ATOM 1518 C PRO A 873 15.018 -12.357 14.099 1.00 0.00 C ATOM 1519 O PRO A 873 14.192 -12.984 13.433 1.00 0.00 O ATOM 1520 CB PRO A 873 16.714 -13.441 15.601 1.00 0.00 C ATOM 1521 CG PRO A 873 17.531 -12.427 16.322 1.00 0.00 C ATOM 1522 CD PRO A 873 18.333 -11.724 15.269 1.00 0.00 C ATOM 0 HA PRO A 873 16.579 -13.562 13.398 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.777 -13.635 16.124 1.00 0.00 H new ATOM 0 HB3 PRO A 873 17.242 -14.392 15.530 1.00 0.00 H new ATOM 0 HG2 PRO A 873 16.896 -11.726 16.863 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.181 -12.900 17.058 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.583 -10.705 15.564 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.273 -12.237 15.067 1.00 0.00 H new ATOM 1530 N GLY A 874 14.726 -11.234 14.744 1.00 0.00 N ATOM 1531 CA GLY A 874 13.399 -10.664 14.681 1.00 0.00 C ATOM 1532 C GLY A 874 13.066 -10.156 13.295 1.00 0.00 C ATOM 1533 O GLY A 874 11.930 -10.287 12.836 1.00 0.00 O ATOM 0 H GLY A 874 15.390 -10.708 15.312 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.667 -11.415 14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.322 -9.845 15.396 1.00 0.00 H new ATOM 1537 N ILE A 875 14.065 -9.588 12.622 1.00 0.00 N ATOM 1538 CA ILE A 875 13.884 -9.071 11.270 1.00 0.00 C ATOM 1539 C ILE A 875 13.427 -10.176 10.327 1.00 0.00 C ATOM 1540 O ILE A 875 12.365 -10.070 9.712 1.00 0.00 O ATOM 1541 CB ILE A 875 15.181 -8.431 10.717 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.556 -7.196 11.534 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.016 -8.060 9.249 1.00 0.00 C ATOM 1544 CD1 ILE A 875 17.000 -6.766 11.364 1.00 0.00 C ATOM 0 H ILE A 875 15.008 -9.475 12.993 1.00 0.00 H new ATOM 0 HA ILE A 875 13.117 -8.298 11.327 1.00 0.00 H new ATOM 0 HB ILE A 875 15.984 -9.163 10.799 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.905 -6.370 11.247 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.369 -7.399 12.588 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.939 -7.612 8.881 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.792 -8.956 8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.199 -7.346 9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 875 17.191 -5.883 11.974 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.660 -7.575 11.679 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.189 -6.530 10.317 1.00 0.00 H new ATOM 1556 N GLU A 876 14.209 -11.250 10.240 1.00 0.00 N ATOM 1557 CA GLU A 876 13.887 -12.342 9.327 1.00 0.00 C ATOM 1558 C GLU A 876 12.610 -13.054 9.759 1.00 0.00 C ATOM 1559 O GLU A 876 11.858 -13.545 8.920 1.00 0.00 O ATOM 1560 CB GLU A 876 15.043 -13.341 9.218 1.00 0.00 C ATOM 1561 CG GLU A 876 15.739 -13.636 10.535 1.00 0.00 C ATOM 1562 CD GLU A 876 17.016 -14.423 10.343 1.00 0.00 C ATOM 1563 OE1 GLU A 876 16.936 -15.622 9.998 1.00 0.00 O ATOM 1564 OE2 GLU A 876 18.106 -13.851 10.540 1.00 0.00 O ATOM 0 H GLU A 876 15.061 -11.386 10.784 1.00 0.00 H new ATOM 0 HA GLU A 876 13.725 -11.906 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.663 -14.275 8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.777 -12.954 8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 876 15.965 -12.698 11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 876 15.064 -14.195 11.183 1.00 0.00 H new ATOM 1571 N LYS A 877 12.369 -13.102 11.068 1.00 0.00 N ATOM 1572 CA LYS A 877 11.135 -13.670 11.602 1.00 0.00 C ATOM 1573 C LYS A 877 9.933 -12.918 11.047 1.00 0.00 C ATOM 1574 O LYS A 877 8.983 -13.522 10.540 1.00 0.00 O ATOM 1575 CB LYS A 877 11.138 -13.611 13.132 1.00 0.00 C ATOM 1576 CG LYS A 877 9.765 -13.773 13.758 1.00 0.00 C ATOM 1577 CD LYS A 877 9.319 -15.223 13.778 1.00 0.00 C ATOM 1578 CE LYS A 877 7.884 -15.351 14.260 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.985 -15.866 13.196 1.00 0.00 N ATOM 0 H LYS A 877 13.013 -12.754 11.778 1.00 0.00 H new ATOM 0 HA LYS A 877 11.069 -14.714 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.795 -14.392 13.514 1.00 0.00 H new ATOM 0 HB3 LYS A 877 11.560 -12.657 13.448 1.00 0.00 H new ATOM 0 HG2 LYS A 877 9.782 -13.385 14.776 1.00 0.00 H new ATOM 0 HG3 LYS A 877 9.040 -13.178 13.202 1.00 0.00 H new ATOM 0 HD2 LYS A 877 9.408 -15.647 12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 877 9.977 -15.799 14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 877 7.848 -16.020 15.120 1.00 0.00 H new ATOM 0 HE3 LYS A 877 7.527 -14.378 14.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 6.141 -15.262 13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 7.486 -15.858 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 6.698 -16.839 13.425 1.00 0.00 H new ATOM 1593 N TYR A 878 9.995 -11.598 11.120 1.00 0.00 N ATOM 1594 CA TYR A 878 8.922 -10.756 10.620 1.00 0.00 C ATOM 1595 C TYR A 878 8.818 -10.849 9.104 1.00 0.00 C ATOM 1596 O TYR A 878 7.730 -10.721 8.546 1.00 0.00 O ATOM 1597 CB TYR A 878 9.124 -9.310 11.058 1.00 0.00 C ATOM 1598 CG TYR A 878 8.051 -8.829 12.004 1.00 0.00 C ATOM 1599 CD1 TYR A 878 7.737 -9.550 13.150 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.341 -7.665 11.747 1.00 0.00 C ATOM 1601 CE1 TYR A 878 6.747 -9.123 14.011 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.353 -7.232 12.604 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.058 -7.963 13.733 1.00 0.00 C ATOM 1604 OH TYR A 878 5.070 -7.531 14.588 1.00 0.00 O ATOM 0 H TYR A 878 10.780 -11.086 11.522 1.00 0.00 H new ATOM 0 HA TYR A 878 7.985 -11.115 11.045 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.097 -9.214 11.540 1.00 0.00 H new ATOM 0 HB3 TYR A 878 9.140 -8.668 10.178 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.277 -10.459 13.370 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.566 -7.089 10.861 1.00 0.00 H new ATOM 0 HE1 TYR A 878 6.514 -9.695 14.897 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.812 -6.322 12.391 1.00 0.00 H new ATOM 0 HH TYR A 878 4.684 -6.697 14.247 1.00 0.00 H new ATOM 1614 N ILE A 879 9.952 -11.057 8.440 1.00 0.00 N ATOM 1615 CA ILE A 879 9.960 -11.301 7.002 1.00 0.00 C ATOM 1616 C ILE A 879 9.039 -12.475 6.671 1.00 0.00 C ATOM 1617 O ILE A 879 8.183 -12.379 5.792 1.00 0.00 O ATOM 1618 CB ILE A 879 11.385 -11.599 6.472 1.00 0.00 C ATOM 1619 CG1 ILE A 879 12.300 -10.383 6.660 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.346 -12.011 5.004 1.00 0.00 C ATOM 1621 CD1 ILE A 879 11.854 -9.145 5.909 1.00 0.00 C ATOM 0 H ILE A 879 10.875 -11.061 8.874 1.00 0.00 H new ATOM 0 HA ILE A 879 9.604 -10.394 6.514 1.00 0.00 H new ATOM 0 HB ILE A 879 11.790 -12.430 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 879 12.358 -10.148 7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 879 13.307 -10.647 6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.359 -12.215 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.737 -12.908 4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.914 -11.205 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 879 12.556 -8.333 6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 879 11.824 -9.359 4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 879 10.861 -8.852 6.249 1.00 0.00 H new ATOM 1633 N SER A 880 9.205 -13.572 7.403 1.00 0.00 N ATOM 1634 CA SER A 880 8.366 -14.749 7.212 1.00 0.00 C ATOM 1635 C SER A 880 6.914 -14.463 7.595 1.00 0.00 C ATOM 1636 O SER A 880 5.994 -15.008 6.995 1.00 0.00 O ATOM 1637 CB SER A 880 8.901 -15.923 8.034 1.00 0.00 C ATOM 1638 OG SER A 880 9.977 -15.521 8.864 1.00 0.00 O ATOM 0 H SER A 880 9.911 -13.670 8.132 1.00 0.00 H new ATOM 0 HA SER A 880 8.394 -15.010 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.100 -16.336 8.647 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.232 -16.718 7.365 1.00 0.00 H new ATOM 0 HG SER A 880 9.649 -14.897 9.545 1.00 0.00 H new ATOM 1644 N ASP A 881 6.712 -13.601 8.587 1.00 0.00 N ATOM 1645 CA ASP A 881 5.362 -13.266 9.045 1.00 0.00 C ATOM 1646 C ASP A 881 4.639 -12.396 8.021 1.00 0.00 C ATOM 1647 O ASP A 881 3.436 -12.531 7.811 1.00 0.00 O ATOM 1648 CB ASP A 881 5.414 -12.556 10.399 1.00 0.00 C ATOM 1649 CG ASP A 881 5.606 -13.519 11.554 1.00 0.00 C ATOM 1650 OD1 ASP A 881 5.343 -14.726 11.382 1.00 0.00 O ATOM 1651 OD2 ASP A 881 6.033 -13.079 12.640 1.00 0.00 O ATOM 0 H ASP A 881 7.460 -13.122 9.089 1.00 0.00 H new ATOM 0 HA ASP A 881 4.805 -14.196 9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.229 -11.832 10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.491 -11.996 10.547 1.00 0.00 H new ATOM 1656 N ILE A 882 5.379 -11.502 7.383 1.00 0.00 N ATOM 1657 CA ILE A 882 4.840 -10.705 6.290 1.00 0.00 C ATOM 1658 C ILE A 882 4.611 -11.595 5.070 1.00 0.00 C ATOM 1659 O ILE A 882 3.659 -11.404 4.312 1.00 0.00 O ATOM 1660 CB ILE A 882 5.781 -9.523 5.939 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.574 -8.386 6.945 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.546 -9.026 4.514 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.373 -7.138 6.638 1.00 0.00 C ATOM 0 H ILE A 882 6.356 -11.310 7.603 1.00 0.00 H new ATOM 0 HA ILE A 882 3.887 -10.281 6.606 1.00 0.00 H new ATOM 0 HB ILE A 882 6.811 -9.874 5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.515 -8.129 6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 882 5.843 -8.742 7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 882 6.222 -8.198 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.733 -9.837 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.515 -8.688 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.171 -6.381 7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.436 -7.377 6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.088 -6.755 5.658 1.00 0.00 H new ATOM 1675 N ASP A 883 5.467 -12.595 4.922 1.00 0.00 N ATOM 1676 CA ASP A 883 5.412 -13.502 3.787 1.00 0.00 C ATOM 1677 C ASP A 883 4.202 -14.407 3.924 1.00 0.00 C ATOM 1678 O ASP A 883 3.517 -14.708 2.949 1.00 0.00 O ATOM 1679 CB ASP A 883 6.703 -14.321 3.732 1.00 0.00 C ATOM 1680 CG ASP A 883 6.638 -15.523 2.809 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.537 -15.339 1.579 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.739 -16.660 3.310 1.00 0.00 O ATOM 0 H ASP A 883 6.216 -12.800 5.583 1.00 0.00 H new ATOM 0 HA ASP A 883 5.318 -12.938 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.518 -13.673 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 883 6.947 -14.662 4.738 1.00 0.00 H new ATOM 1687 N SER A 884 3.932 -14.807 5.156 1.00 0.00 N ATOM 1688 CA SER A 884 2.768 -15.610 5.463 1.00 0.00 C ATOM 1689 C SER A 884 1.501 -14.754 5.387 1.00 0.00 C ATOM 1690 O SER A 884 0.423 -15.249 5.051 1.00 0.00 O ATOM 1691 CB SER A 884 2.931 -16.242 6.847 1.00 0.00 C ATOM 1692 OG SER A 884 3.491 -15.333 7.772 1.00 0.00 O ATOM 0 H SER A 884 4.512 -14.584 5.965 1.00 0.00 H new ATOM 0 HA SER A 884 2.673 -16.410 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 884 1.960 -16.579 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.567 -17.124 6.772 1.00 0.00 H new ATOM 0 HG SER A 884 4.467 -15.417 7.763 1.00 0.00 H new ATOM 1698 N TYR A 885 1.652 -13.463 5.679 1.00 0.00 N ATOM 1699 CA TYR A 885 0.550 -12.503 5.572 1.00 0.00 C ATOM 1700 C TYR A 885 0.116 -12.371 4.130 1.00 0.00 C ATOM 1701 O TYR A 885 -1.046 -12.573 3.773 1.00 0.00 O ATOM 1702 CB TYR A 885 0.994 -11.128 6.057 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.089 -10.363 6.784 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.743 -10.909 7.880 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.468 -9.097 6.357 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.747 -10.214 8.528 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.467 -8.396 7.001 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.103 -8.958 8.085 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.106 -8.265 8.722 1.00 0.00 O ATOM 0 H TYR A 885 2.532 -13.054 5.994 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.274 -12.867 6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.851 -11.245 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.330 -10.541 5.202 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.463 -11.891 8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.028 -8.653 5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.250 -10.653 9.377 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.748 -7.412 6.657 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.748 -7.936 8.059 1.00 0.00 H new ATOM 1719 N VAL A 886 1.085 -12.021 3.317 1.00 0.00 N ATOM 1720 CA VAL A 886 0.901 -11.881 1.895 1.00 0.00 C ATOM 1721 C VAL A 886 0.432 -13.213 1.301 1.00 0.00 C ATOM 1722 O VAL A 886 -0.362 -13.244 0.365 1.00 0.00 O ATOM 1723 CB VAL A 886 2.230 -11.406 1.275 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.376 -11.831 -0.176 1.00 0.00 C ATOM 1725 CG2 VAL A 886 2.357 -9.896 1.395 1.00 0.00 C ATOM 0 H VAL A 886 2.035 -11.823 3.631 1.00 0.00 H new ATOM 0 HA VAL A 886 0.132 -11.141 1.673 1.00 0.00 H new ATOM 0 HB VAL A 886 3.035 -11.884 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.328 -11.472 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 886 2.344 -12.919 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 886 1.561 -11.408 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 886 3.300 -9.574 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.529 -9.418 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 886 2.333 -9.611 2.447 1.00 0.00 H new ATOM 1735 N LYS A 887 0.900 -14.308 1.899 1.00 0.00 N ATOM 1736 CA LYS A 887 0.477 -15.652 1.520 1.00 0.00 C ATOM 1737 C LYS A 887 -1.029 -15.841 1.714 1.00 0.00 C ATOM 1738 O LYS A 887 -1.693 -16.455 0.883 1.00 0.00 O ATOM 1739 CB LYS A 887 1.227 -16.686 2.357 1.00 0.00 C ATOM 1740 CG LYS A 887 1.903 -17.776 1.549 1.00 0.00 C ATOM 1741 CD LYS A 887 2.232 -18.972 2.426 1.00 0.00 C ATOM 1742 CE LYS A 887 3.134 -19.959 1.711 1.00 0.00 C ATOM 1743 NZ LYS A 887 3.517 -21.097 2.588 1.00 0.00 N ATOM 0 H LYS A 887 1.581 -14.287 2.658 1.00 0.00 H new ATOM 0 HA LYS A 887 0.707 -15.788 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 887 1.981 -16.174 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 887 0.527 -17.148 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 887 1.252 -18.087 0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 887 2.816 -17.388 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 887 2.718 -18.631 3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 887 1.309 -19.471 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 887 2.626 -20.339 0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.033 -19.447 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 4.133 -21.749 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 4.025 -20.737 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 2.661 -21.602 2.895 1.00 0.00 H new ATOM 1757 N SER A 888 -1.564 -15.323 2.819 1.00 0.00 N ATOM 1758 CA SER A 888 -2.991 -15.458 3.102 1.00 0.00 C ATOM 1759 C SER A 888 -3.810 -14.467 2.278 1.00 0.00 C ATOM 1760 O SER A 888 -4.998 -14.681 2.032 1.00 0.00 O ATOM 1761 CB SER A 888 -3.274 -15.257 4.595 1.00 0.00 C ATOM 1762 OG SER A 888 -2.137 -14.761 5.278 1.00 0.00 O ATOM 0 H SER A 888 -1.036 -14.811 3.526 1.00 0.00 H new ATOM 0 HA SER A 888 -3.287 -16.469 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 888 -4.105 -14.563 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.581 -16.204 5.039 1.00 0.00 H new ATOM 0 HG SER A 888 -1.407 -15.411 5.213 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.172 -13.381 1.861 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.836 -12.371 1.045 1.00 0.00 C ATOM 1770 C LEU A 889 -3.927 -12.809 -0.417 1.00 0.00 C ATOM 1771 O LEU A 889 -4.828 -12.389 -1.147 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.100 -11.035 1.149 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.530 -10.151 2.321 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -2.374 -9.280 2.786 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.724 -9.292 1.932 1.00 0.00 C ATOM 0 H LEU A 889 -2.196 -13.176 2.074 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.850 -12.249 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.031 -11.232 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.249 -10.482 0.222 1.00 0.00 H new ATOM 0 HG LEU A 889 -3.826 -10.797 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -2.699 -8.658 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -1.547 -9.914 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.046 -8.643 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -5.016 -8.670 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -4.455 -8.655 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.558 -9.935 1.650 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.986 -13.643 -0.843 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.990 -14.170 -2.200 1.00 0.00 C ATOM 1789 C LEU A 890 -4.031 -15.273 -2.338 1.00 0.00 C ATOM 1790 O LEU A 890 -3.970 -16.250 -1.564 1.00 0.00 O ATOM 1791 CB LEU A 890 -1.606 -14.708 -2.571 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.510 -13.651 -2.712 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.785 -14.288 -3.189 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.947 -12.551 -3.668 1.00 0.00 C ATOM 1795 OXT LEU A 890 -4.918 -15.157 -3.209 1.00 0.00 O ATOM 0 H LEU A 890 -2.210 -13.969 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.244 -13.358 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.299 -15.427 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -1.686 -15.252 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.335 -13.205 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.554 -13.521 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 890 1.108 -15.039 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.623 -14.761 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -0.154 -11.808 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -1.151 -12.981 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -1.850 -12.074 -3.286 1.00 0.00 H new TER 1807 LEU A 890