USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 103 HIS : no HD1:sc= -0.9 X(o=-1.7,f=-2!) USER MOD Set 1.2: A 110 SER OG : rot 110:sc= -0.775 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.345 USER MOD Set 2.2: A 57 MET CE :methyl -173:sc= -1.35 (180deg=-1.57) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -34:sc= 0.0952 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0995) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl -143:sc= -1.84 (180deg=-3.73!) USER MOD Single : A 79 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.56) USER MOD Single : A 81 MET CE :methyl 164:sc= -2.12! (180deg=-2.41!) USER MOD Single : A 82 HIS : no HD1:sc= -16.9! C(o=-17!,f=-19!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= -0.975 (180deg=-1.34) USER MOD Single : A 90 THR OG1 : rot -100:sc= -3.07! USER MOD Single : A 92 MET CE :methyl 147:sc= -1.33 (180deg=-3.61) USER MOD Single : A 98 ASN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 172:sc= -8.59! (180deg=-9.23!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 70:sc= -1.84! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.438 8.991 3.752 1.00 0.00 N ATOM 766 CA LEU A 53 1.721 8.944 4.444 1.00 0.00 C ATOM 767 C LEU A 53 2.501 7.693 4.056 1.00 0.00 C ATOM 768 O LEU A 53 1.917 6.643 3.790 1.00 0.00 O ATOM 769 CB LEU A 53 1.512 8.970 5.959 1.00 0.00 C ATOM 770 CG LEU A 53 2.481 9.870 6.733 1.00 0.00 C ATOM 771 CD1 LEU A 53 1.728 11.001 7.415 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.264 9.065 7.758 1.00 0.00 C ATOM 0 HA LEU A 53 2.295 9.822 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.493 9.298 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.602 7.953 6.340 1.00 0.00 H new ATOM 0 HG LEU A 53 3.187 10.299 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.432 11.630 7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.212 11.600 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.999 10.585 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.945 9.725 8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.573 8.604 8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.836 8.288 7.251 1.00 0.00 H new ATOM 784 N THR A 54 3.824 7.816 4.023 1.00 0.00 N ATOM 785 CA THR A 54 4.693 6.695 3.684 1.00 0.00 C ATOM 786 C THR A 54 6.146 7.044 3.975 1.00 0.00 C ATOM 787 O THR A 54 6.428 7.986 4.716 1.00 0.00 O ATOM 788 CB THR A 54 4.530 6.306 2.211 1.00 0.00 C ATOM 789 OG1 THR A 54 3.723 7.248 1.526 1.00 0.00 O ATOM 790 CG2 THR A 54 3.911 4.938 2.018 1.00 0.00 C ATOM 0 H THR A 54 4.319 8.684 4.228 1.00 0.00 H new ATOM 0 HA THR A 54 4.404 5.843 4.300 1.00 0.00 H new ATOM 0 HB THR A 54 5.541 6.289 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.634 6.981 0.587 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.824 4.725 0.953 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.542 4.184 2.489 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.921 4.919 2.474 1.00 0.00 H new ATOM 798 N ALA A 55 7.065 6.288 3.385 1.00 0.00 N ATOM 799 CA ALA A 55 8.487 6.516 3.598 1.00 0.00 C ATOM 800 C ALA A 55 8.890 7.930 3.195 1.00 0.00 C ATOM 801 O ALA A 55 9.756 8.539 3.823 1.00 0.00 O ATOM 802 CB ALA A 55 9.306 5.493 2.837 1.00 0.00 C ATOM 0 H ALA A 55 6.850 5.514 2.757 1.00 0.00 H new ATOM 0 HA ALA A 55 8.688 6.404 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.367 5.677 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.051 4.492 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.090 5.573 1.772 1.00 0.00 H new ATOM 808 N SER A 56 8.259 8.448 2.145 1.00 0.00 N ATOM 809 CA SER A 56 8.546 9.800 1.676 1.00 0.00 C ATOM 810 C SER A 56 8.244 10.814 2.774 1.00 0.00 C ATOM 811 O SER A 56 9.075 11.667 3.094 1.00 0.00 O ATOM 812 CB SER A 56 7.722 10.117 0.427 1.00 0.00 C ATOM 813 OG SER A 56 8.120 9.307 -0.665 1.00 0.00 O ATOM 0 H SER A 56 7.548 7.954 1.605 1.00 0.00 H new ATOM 0 HA SER A 56 9.604 9.861 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.664 9.958 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.841 11.169 0.166 1.00 0.00 H new ATOM 0 HG SER A 56 7.577 9.527 -1.451 1.00 0.00 H new ATOM 819 N MET A 57 7.057 10.700 3.362 1.00 0.00 N ATOM 820 CA MET A 57 6.651 11.585 4.446 1.00 0.00 C ATOM 821 C MET A 57 7.639 11.492 5.603 1.00 0.00 C ATOM 822 O MET A 57 8.021 12.501 6.194 1.00 0.00 O ATOM 823 CB MET A 57 5.248 11.217 4.935 1.00 0.00 C ATOM 824 CG MET A 57 4.120 11.661 4.011 1.00 0.00 C ATOM 825 SD MET A 57 4.696 12.235 2.400 1.00 0.00 S ATOM 826 CE MET A 57 4.368 10.790 1.394 1.00 0.00 C ATOM 0 H MET A 57 6.359 10.002 3.105 1.00 0.00 H new ATOM 0 HA MET A 57 6.639 12.608 4.069 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.193 10.136 5.061 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.091 11.661 5.918 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.430 10.829 3.867 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.559 12.461 4.494 1.00 0.00 H new ATOM 0 HE1 MET A 57 4.783 10.939 0.397 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.830 9.915 1.852 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.292 10.635 1.320 1.00 0.00 H new ATOM 836 N LEU A 58 8.051 10.266 5.909 1.00 0.00 N ATOM 837 CA LEU A 58 9.004 10.016 6.983 1.00 0.00 C ATOM 838 C LEU A 58 10.311 10.756 6.730 1.00 0.00 C ATOM 839 O LEU A 58 10.878 11.371 7.633 1.00 0.00 O ATOM 840 CB LEU A 58 9.285 8.513 7.092 1.00 0.00 C ATOM 841 CG LEU A 58 8.203 7.656 7.767 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.937 8.457 8.048 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.888 6.447 6.899 1.00 0.00 C ATOM 0 H LEU A 58 7.737 9.425 5.424 1.00 0.00 H new ATOM 0 HA LEU A 58 8.570 10.378 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.450 8.124 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.217 8.380 7.642 1.00 0.00 H new ATOM 0 HG LEU A 58 8.591 7.320 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.198 7.814 8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.173 9.291 8.709 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.533 8.840 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.120 5.842 7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.528 6.781 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.790 5.850 6.766 1.00 0.00 H new ATOM 855 N ALA A 59 10.788 10.674 5.493 1.00 0.00 N ATOM 856 CA ALA A 59 12.036 11.319 5.100 1.00 0.00 C ATOM 857 C ALA A 59 11.941 12.836 5.228 1.00 0.00 C ATOM 858 O ALA A 59 12.956 13.531 5.219 1.00 0.00 O ATOM 859 CB ALA A 59 12.401 10.932 3.674 1.00 0.00 C ATOM 0 H ALA A 59 10.326 10.164 4.740 1.00 0.00 H new ATOM 0 HA ALA A 59 12.820 10.974 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.334 11.420 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.523 9.851 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.608 11.248 2.997 1.00 0.00 H new ATOM 865 N SER A 60 10.718 13.342 5.335 1.00 0.00 N ATOM 866 CA SER A 60 10.495 14.778 5.465 1.00 0.00 C ATOM 867 C SER A 60 10.828 15.251 6.877 1.00 0.00 C ATOM 868 O SER A 60 10.950 16.450 7.129 1.00 0.00 O ATOM 869 CB SER A 60 9.044 15.126 5.125 1.00 0.00 C ATOM 870 OG SER A 60 8.878 16.524 4.962 1.00 0.00 O ATOM 0 H SER A 60 9.866 12.781 5.334 1.00 0.00 H new ATOM 0 HA SER A 60 11.154 15.289 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.749 14.613 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.386 14.769 5.917 1.00 0.00 H new ATOM 0 HG SER A 60 9.479 16.998 5.573 1.00 0.00 H new ATOM 876 N ALA A 61 10.977 14.298 7.790 1.00 0.00 N ATOM 877 CA ALA A 61 11.307 14.606 9.177 1.00 0.00 C ATOM 878 C ALA A 61 12.408 13.680 9.697 1.00 0.00 C ATOM 879 O ALA A 61 12.196 12.936 10.655 1.00 0.00 O ATOM 880 CB ALA A 61 10.062 14.493 10.047 1.00 0.00 C ATOM 0 H ALA A 61 10.874 13.302 7.594 1.00 0.00 H new ATOM 0 HA ALA A 61 11.679 15.629 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.318 14.725 11.081 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.307 15.195 9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.669 13.478 9.989 1.00 0.00 H new ATOM 946 N GLN A 66 10.899 11.065 12.280 1.00 0.00 N ATOM 947 CA GLN A 66 11.283 9.966 11.401 1.00 0.00 C ATOM 948 C GLN A 66 10.916 8.627 12.029 1.00 0.00 C ATOM 949 O GLN A 66 10.518 7.691 11.335 1.00 0.00 O ATOM 950 CB GLN A 66 12.782 10.009 11.107 1.00 0.00 C ATOM 951 CG GLN A 66 13.109 9.829 9.635 1.00 0.00 C ATOM 952 CD GLN A 66 14.268 8.879 9.405 1.00 0.00 C ATOM 953 OE1 GLN A 66 14.082 7.665 9.320 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.473 9.427 9.303 1.00 0.00 N ATOM 0 HA GLN A 66 10.739 10.077 10.463 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.185 10.963 11.448 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.281 9.228 11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.228 9.453 9.115 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.348 10.799 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.581 10.438 9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.290 8.837 9.148 1.00 0.00 H new ATOM 963 N LYS A 67 11.045 8.550 13.348 1.00 0.00 N ATOM 964 CA LYS A 67 10.720 7.332 14.083 1.00 0.00 C ATOM 965 C LYS A 67 9.597 7.587 15.084 1.00 0.00 C ATOM 966 O LYS A 67 9.623 7.076 16.205 1.00 0.00 O ATOM 967 CB LYS A 67 11.957 6.799 14.812 1.00 0.00 C ATOM 968 CG LYS A 67 13.271 7.326 14.260 1.00 0.00 C ATOM 969 CD LYS A 67 13.941 8.280 15.236 1.00 0.00 C ATOM 970 CE LYS A 67 15.431 8.399 14.964 1.00 0.00 C ATOM 971 NZ LYS A 67 16.175 7.183 15.395 1.00 0.00 N ATOM 0 H LYS A 67 11.373 9.319 13.933 1.00 0.00 H new ATOM 0 HA LYS A 67 10.383 6.585 13.365 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.886 7.062 15.867 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.960 5.711 14.754 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.939 6.491 14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.091 7.838 13.315 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.477 9.263 15.162 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.783 7.929 16.256 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.593 8.565 13.899 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.827 9.270 15.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.193 7.394 15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.847 6.892 16.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.005 6.413 14.716 1.00 0.00 H new ATOM 985 N GLN A 68 8.611 8.380 14.674 1.00 0.00 N ATOM 986 CA GLN A 68 7.485 8.709 15.538 1.00 0.00 C ATOM 987 C GLN A 68 6.163 8.618 14.786 1.00 0.00 C ATOM 988 O GLN A 68 5.275 7.851 15.161 1.00 0.00 O ATOM 989 CB GLN A 68 7.654 10.113 16.116 1.00 0.00 C ATOM 990 CG GLN A 68 8.724 10.197 17.189 1.00 0.00 C ATOM 991 CD GLN A 68 9.756 11.271 16.905 1.00 0.00 C ATOM 992 OE1 GLN A 68 10.894 10.971 16.545 1.00 0.00 O ATOM 993 NE2 GLN A 68 9.364 12.528 17.073 1.00 0.00 N ATOM 0 H GLN A 68 8.570 8.806 13.748 1.00 0.00 H new ATOM 0 HA GLN A 68 7.467 7.982 16.350 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.903 10.803 15.310 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.703 10.443 16.535 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.253 10.397 18.151 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.224 9.232 17.274 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.410 12.729 17.373 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.017 13.293 16.902 1.00 0.00 H new ATOM 1002 N MET A 69 6.037 9.407 13.725 1.00 0.00 N ATOM 1003 CA MET A 69 4.809 9.435 12.938 1.00 0.00 C ATOM 1004 C MET A 69 4.729 8.258 11.966 1.00 0.00 C ATOM 1005 O MET A 69 3.878 8.241 11.076 1.00 0.00 O ATOM 1006 CB MET A 69 4.701 10.751 12.168 1.00 0.00 C ATOM 1007 CG MET A 69 5.827 10.968 11.171 1.00 0.00 C ATOM 1008 SD MET A 69 5.332 12.003 9.781 1.00 0.00 S ATOM 1009 CE MET A 69 6.919 12.317 9.014 1.00 0.00 C ATOM 0 H MET A 69 6.768 10.035 13.390 1.00 0.00 H new ATOM 0 HA MET A 69 3.975 9.352 13.635 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.749 10.775 11.638 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.692 11.578 12.878 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.674 11.429 11.679 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.167 10.002 10.797 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.943 13.338 8.632 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.711 12.187 9.751 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.070 11.618 8.191 1.00 0.00 H new ATOM 1019 N LEU A 70 5.606 7.273 12.141 1.00 0.00 N ATOM 1020 CA LEU A 70 5.599 6.093 11.277 1.00 0.00 C ATOM 1021 C LEU A 70 4.465 5.148 11.650 1.00 0.00 C ATOM 1022 O LEU A 70 3.830 4.553 10.780 1.00 0.00 O ATOM 1023 CB LEU A 70 6.927 5.322 11.331 1.00 0.00 C ATOM 1024 CG LEU A 70 7.891 5.668 12.476 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.201 5.609 13.830 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.069 4.711 12.457 1.00 0.00 C ATOM 0 H LEU A 70 6.324 7.266 12.865 1.00 0.00 H new ATOM 0 HA LEU A 70 5.454 6.461 10.261 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.698 4.258 11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.450 5.483 10.388 1.00 0.00 H new ATOM 0 HG LEU A 70 8.239 6.690 12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.916 5.860 14.614 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.376 6.321 13.849 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.816 4.603 13.999 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.752 4.958 13.270 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.710 3.690 12.582 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.592 4.797 11.505 1.00 0.00 H new ATOM 1038 N GLY A 71 4.237 4.980 12.947 1.00 0.00 N ATOM 1039 CA GLY A 71 3.188 4.087 13.393 1.00 0.00 C ATOM 1040 C GLY A 71 2.321 4.698 14.475 1.00 0.00 C ATOM 1041 O GLY A 71 1.697 3.981 15.258 1.00 0.00 O ATOM 0 H GLY A 71 4.757 5.443 13.692 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.563 3.814 12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.635 3.166 13.768 1.00 0.00 H new ATOM 1045 N GLU A 72 2.281 6.026 14.520 1.00 0.00 N ATOM 1046 CA GLU A 72 1.485 6.732 15.517 1.00 0.00 C ATOM 1047 C GLU A 72 0.730 7.900 14.894 1.00 0.00 C ATOM 1048 O GLU A 72 -0.108 8.524 15.543 1.00 0.00 O ATOM 1049 CB GLU A 72 2.381 7.241 16.649 1.00 0.00 C ATOM 1050 CG GLU A 72 3.184 6.146 17.333 1.00 0.00 C ATOM 1051 CD GLU A 72 2.940 6.090 18.828 1.00 0.00 C ATOM 1052 OE1 GLU A 72 1.844 6.497 19.267 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.846 5.638 19.561 1.00 0.00 O ATOM 0 H GLU A 72 2.790 6.634 13.878 1.00 0.00 H new ATOM 0 HA GLU A 72 0.757 6.028 15.921 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.068 7.987 16.249 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.762 7.743 17.392 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.928 5.183 16.891 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.246 6.310 17.148 1.00 0.00 H new ATOM 1060 N ARG A 73 1.020 8.183 13.628 1.00 0.00 N ATOM 1061 CA ARG A 73 0.364 9.277 12.927 1.00 0.00 C ATOM 1062 C ARG A 73 -0.241 8.796 11.613 1.00 0.00 C ATOM 1063 O ARG A 73 -1.077 9.476 11.021 1.00 0.00 O ATOM 1064 CB ARG A 73 1.358 10.407 12.659 1.00 0.00 C ATOM 1065 CG ARG A 73 0.716 11.783 12.614 1.00 0.00 C ATOM 1066 CD ARG A 73 0.379 12.192 11.189 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.188 13.536 11.124 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.869 14.000 10.080 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -1.067 13.231 9.018 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.352 15.235 10.097 1.00 0.00 N ATOM 0 H ARG A 73 1.703 7.671 13.070 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.440 9.651 13.561 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.124 10.398 13.435 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.862 10.219 11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.191 11.783 13.218 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.392 12.516 13.054 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.280 12.149 10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.329 11.479 10.765 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.054 14.154 11.924 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.697 12.281 9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.590 13.590 8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.201 15.830 10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.874 15.590 9.296 1.00 0.00 H new ATOM 1084 N LEU A 74 0.174 7.612 11.171 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.338 7.041 9.934 1.00 0.00 C ATOM 1086 C LEU A 74 -1.728 6.461 10.130 1.00 0.00 C ATOM 1087 O LEU A 74 -2.375 6.055 9.169 1.00 0.00 O ATOM 1088 CB LEU A 74 0.592 5.945 9.430 1.00 0.00 C ATOM 1089 CG LEU A 74 1.394 6.316 8.196 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.802 5.766 8.306 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.700 5.812 6.942 1.00 0.00 C ATOM 0 H LEU A 74 0.862 7.032 11.652 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.391 7.845 9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.283 5.677 10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.000 5.057 9.209 1.00 0.00 H new ATOM 0 HG LEU A 74 1.459 7.402 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.369 6.038 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.288 6.184 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.763 4.680 8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.288 6.086 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.604 4.727 6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.291 6.261 6.869 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.169 6.394 11.381 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.476 5.826 11.694 1.00 0.00 C ATOM 1105 C PHE A 75 -4.577 6.434 10.815 1.00 0.00 C ATOM 1106 O PHE A 75 -5.294 5.704 10.131 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.812 6.004 13.179 1.00 0.00 C ATOM 1108 CG PHE A 75 -5.224 5.620 13.525 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.797 4.474 12.991 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.979 6.409 14.376 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -7.100 4.133 13.296 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -7.280 6.065 14.693 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.841 4.923 14.153 1.00 0.00 C ATOM 0 H PHE A 75 -1.645 6.724 12.191 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.428 4.758 11.479 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.124 5.403 13.774 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.648 7.045 13.458 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.219 3.844 12.331 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.546 7.304 14.797 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.540 3.247 12.864 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.857 6.687 15.361 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.856 4.649 14.401 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.735 7.776 10.808 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.756 8.435 9.988 1.00 0.00 C ATOM 1125 C PRO A 76 -5.494 8.249 8.498 1.00 0.00 C ATOM 1126 O PRO A 76 -6.336 8.579 7.662 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.647 9.917 10.369 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.850 9.946 11.630 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.943 8.753 11.573 1.00 0.00 C ATOM 0 HA PRO A 76 -6.747 8.019 10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.157 10.490 9.582 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.633 10.358 10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.276 10.869 11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.500 9.901 12.504 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.000 8.985 11.078 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.698 8.384 12.569 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.319 7.717 8.173 1.00 0.00 N ATOM 1138 CA LEU A 77 -3.936 7.494 6.785 1.00 0.00 C ATOM 1139 C LEU A 77 -4.293 6.083 6.330 1.00 0.00 C ATOM 1140 O LEU A 77 -4.632 5.870 5.166 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.434 7.733 6.597 1.00 0.00 C ATOM 1142 CG LEU A 77 -1.996 9.200 6.547 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -2.990 10.046 5.760 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.827 9.737 7.953 1.00 0.00 C ATOM 0 H LEU A 77 -3.615 7.432 8.854 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.492 8.204 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.902 7.242 7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.120 7.248 5.673 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.037 9.256 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.652 11.082 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.060 9.670 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.970 9.992 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.515 10.781 7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.774 9.663 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.069 9.154 8.477 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.202 5.114 7.241 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.523 3.734 6.897 1.00 0.00 C ATOM 1158 C ILE A 78 -6.001 3.584 6.586 1.00 0.00 C ATOM 1159 O ILE A 78 -6.382 2.847 5.679 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.164 2.739 8.010 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.864 3.137 8.710 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.065 1.339 7.427 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.640 3.033 7.829 1.00 0.00 C ATOM 0 H ILE A 78 -3.913 5.258 8.208 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.920 3.502 6.019 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.952 2.754 8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.955 4.162 9.070 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.725 2.503 9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.810 0.633 8.217 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.022 1.060 6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.292 1.319 6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.758 3.331 8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.522 2.004 7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.756 3.689 6.966 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.829 4.287 7.353 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.272 4.258 7.151 1.00 0.00 C ATOM 1177 C GLN A 79 -8.605 4.535 5.687 1.00 0.00 C ATOM 1178 O GLN A 79 -9.705 4.251 5.214 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.949 5.302 8.041 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.537 4.731 9.321 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.844 5.802 10.352 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -10.940 6.364 10.373 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -8.876 6.088 11.215 1.00 0.00 N ATOM 0 H GLN A 79 -6.524 4.884 8.121 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.641 3.268 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.222 6.072 8.299 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.742 5.789 7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.451 4.187 9.085 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.839 4.011 9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.983 5.598 11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.025 6.798 11.932 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.632 5.107 4.985 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.772 5.433 3.569 1.00 0.00 C ATOM 1194 C ALA A 80 -7.465 4.224 2.691 1.00 0.00 C ATOM 1195 O ALA A 80 -8.152 3.977 1.698 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.844 6.582 3.204 1.00 0.00 C ATOM 0 H ALA A 80 -6.726 5.357 5.380 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.806 5.730 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.956 6.818 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.098 7.459 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.812 6.294 3.405 1.00 0.00 H new ATOM 1202 N MET A 81 -6.404 3.499 3.036 1.00 0.00 N ATOM 1203 CA MET A 81 -6.006 2.319 2.273 1.00 0.00 C ATOM 1204 C MET A 81 -7.002 1.190 2.484 1.00 0.00 C ATOM 1205 O MET A 81 -7.313 0.429 1.568 1.00 0.00 O ATOM 1206 CB MET A 81 -4.611 1.838 2.696 1.00 0.00 C ATOM 1207 CG MET A 81 -3.656 2.950 3.099 1.00 0.00 C ATOM 1208 SD MET A 81 -2.655 2.515 4.532 1.00 0.00 S ATOM 1209 CE MET A 81 -1.084 2.165 3.754 1.00 0.00 C ATOM 0 H MET A 81 -5.806 3.707 3.836 1.00 0.00 H new ATOM 0 HA MET A 81 -5.985 2.598 1.220 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.717 1.147 3.532 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.169 1.277 1.873 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.001 3.184 2.260 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.226 3.852 3.319 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.297 2.160 4.509 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.128 1.190 3.268 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.868 2.932 3.010 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.469 1.078 3.718 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.382 0.019 4.115 1.00 0.00 C ATOM 1221 C HIS A 82 -9.672 0.610 4.671 1.00 0.00 C ATOM 1222 O HIS A 82 -9.662 1.714 5.206 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.696 -0.844 5.175 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.248 -1.063 4.900 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -5.324 -1.000 5.900 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.622 -1.345 3.734 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -4.160 -1.211 5.329 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -4.291 -1.449 4.020 1.00 0.00 N ATOM 0 H HIS A 82 -7.225 1.720 4.472 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.636 -0.591 3.248 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.807 -0.369 6.150 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.199 -1.809 5.231 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.085 -1.465 2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.215 -1.194 5.852 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.542 -1.666 3.363 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.806 -0.105 4.540 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.096 0.372 5.050 1.00 0.00 C ATOM 1238 C PRO A 83 -12.079 0.537 6.565 1.00 0.00 C ATOM 1239 O PRO A 83 -12.615 -0.297 7.297 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.083 -0.726 4.636 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.242 -1.937 4.416 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.917 -1.435 3.915 1.00 0.00 C ATOM 0 HA PRO A 83 -12.356 1.354 4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.829 -0.899 5.412 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.623 -0.450 3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.121 -2.501 5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.705 -2.607 3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.099 -2.090 4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.895 -1.372 2.827 1.00 0.00 H new ATOM 1250 N THR A 84 -11.437 1.607 7.028 1.00 0.00 N ATOM 1251 CA THR A 84 -11.316 1.881 8.454 1.00 0.00 C ATOM 1252 C THR A 84 -10.804 0.650 9.200 1.00 0.00 C ATOM 1253 O THR A 84 -11.116 0.446 10.374 1.00 0.00 O ATOM 1254 CB THR A 84 -12.669 2.314 9.024 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.439 2.976 8.035 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.552 3.244 10.212 1.00 0.00 C ATOM 0 H THR A 84 -10.990 2.302 6.430 1.00 0.00 H new ATOM 0 HA THR A 84 -10.597 2.690 8.588 1.00 0.00 H new ATOM 0 HB THR A 84 -13.151 1.393 9.353 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.301 3.244 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.548 3.511 10.565 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.005 2.745 11.012 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.018 4.147 9.916 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.025 -0.174 8.503 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.486 -1.400 9.085 1.00 0.00 C ATOM 1266 C LEU A 85 -8.261 -1.114 9.948 1.00 0.00 C ATOM 1267 O LEU A 85 -7.664 -2.030 10.512 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.121 -2.395 7.980 1.00 0.00 C ATOM 1269 CG LEU A 85 -9.977 -3.665 7.934 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -9.865 -4.433 9.242 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -11.429 -3.322 7.637 1.00 0.00 C ATOM 0 H LEU A 85 -9.753 -0.014 7.533 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.258 -1.833 9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.199 -1.889 7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.077 -2.684 8.104 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.604 -4.300 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.480 -5.332 9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.825 -4.714 9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.209 -3.805 10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.021 -4.237 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.814 -2.665 8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.494 -2.818 6.673 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.894 0.159 10.045 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.745 0.566 10.847 1.00 0.00 C ATOM 1285 C ALA A 86 -7.007 0.326 12.335 1.00 0.00 C ATOM 1286 O ALA A 86 -7.661 -0.646 12.709 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.416 2.028 10.583 1.00 0.00 C ATOM 0 H ALA A 86 -8.375 0.928 9.578 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.887 -0.041 10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.557 2.322 11.186 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.181 2.163 9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.274 2.647 10.846 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.497 1.217 13.181 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.682 1.068 14.612 1.00 0.00 C ATOM 1295 C GLY A 87 -5.647 0.152 15.222 1.00 0.00 C ATOM 1296 O GLY A 87 -5.607 -0.038 16.439 1.00 0.00 O ATOM 0 H GLY A 87 -5.960 2.038 12.901 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.627 2.047 15.089 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.678 0.673 14.810 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.804 -0.415 14.369 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.760 -1.320 14.805 1.00 0.00 C ATOM 1302 C LYS A 88 -2.761 -1.588 13.683 1.00 0.00 C ATOM 1303 O LYS A 88 -1.611 -1.925 13.944 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.374 -2.638 15.285 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.344 -3.698 15.630 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.448 -3.249 16.771 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.990 -3.376 16.384 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.255 -4.317 17.274 1.00 0.00 N ATOM 0 H LYS A 88 -4.828 -0.259 13.361 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.226 -0.849 15.631 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.991 -2.444 16.162 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.035 -3.025 14.510 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.850 -4.623 15.905 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.736 -3.916 14.752 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.672 -2.215 17.031 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.649 -3.851 17.657 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.918 -3.722 15.353 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.517 -2.395 16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.769 -4.187 17.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.507 -4.126 18.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.513 -5.295 17.033 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.198 -1.432 12.432 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.339 -1.688 11.289 1.00 0.00 C ATOM 1324 C ILE A 89 -0.989 -0.980 11.426 1.00 0.00 C ATOM 1325 O ILE A 89 -0.010 -1.590 11.840 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.016 -1.281 9.970 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.335 -2.047 9.808 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.083 -1.556 8.802 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.207 -1.549 8.676 1.00 0.00 C ATOM 0 H ILE A 89 -4.142 -1.130 12.191 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.161 -2.763 11.267 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.235 -0.213 9.988 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.112 -3.101 9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.897 -1.982 10.740 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.570 -1.265 7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.165 -0.981 8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.844 -2.619 8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.119 -2.144 8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.464 -0.504 8.847 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.667 -1.640 7.734 1.00 0.00 H new ATOM 1341 N THR A 90 -0.943 0.306 11.080 1.00 0.00 N ATOM 1342 CA THR A 90 0.295 1.083 11.176 1.00 0.00 C ATOM 1343 C THR A 90 0.861 1.025 12.593 1.00 0.00 C ATOM 1344 O THR A 90 2.075 0.951 12.780 1.00 0.00 O ATOM 1345 CB THR A 90 0.032 2.529 10.748 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.757 2.836 9.571 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.387 3.571 11.786 1.00 0.00 C ATOM 0 H THR A 90 -1.745 0.831 10.732 1.00 0.00 H new ATOM 0 HA THR A 90 1.038 0.651 10.506 1.00 0.00 H new ATOM 0 HB THR A 90 -1.046 2.575 10.590 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.567 3.335 9.806 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.167 4.564 11.395 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.198 3.399 12.689 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.449 3.501 12.023 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.022 1.055 13.587 1.00 0.00 N ATOM 1356 CA GLY A 91 0.426 0.946 14.962 1.00 0.00 C ATOM 1357 C GLY A 91 1.224 -0.323 15.165 1.00 0.00 C ATOM 1358 O GLY A 91 2.136 -0.380 15.990 1.00 0.00 O ATOM 0 H GLY A 91 -1.030 1.152 13.466 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.037 1.811 15.220 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.434 0.952 15.632 1.00 0.00 H new ATOM 1362 N MET A 92 0.893 -1.331 14.365 1.00 0.00 N ATOM 1363 CA MET A 92 1.599 -2.603 14.391 1.00 0.00 C ATOM 1364 C MET A 92 2.925 -2.470 13.675 1.00 0.00 C ATOM 1365 O MET A 92 3.911 -3.106 14.038 1.00 0.00 O ATOM 1366 CB MET A 92 0.776 -3.690 13.698 1.00 0.00 C ATOM 1367 CG MET A 92 0.961 -5.066 14.309 1.00 0.00 C ATOM 1368 SD MET A 92 -0.517 -6.086 14.183 1.00 0.00 S ATOM 1369 CE MET A 92 -0.845 -5.964 12.430 1.00 0.00 C ATOM 0 H MET A 92 0.133 -1.289 13.686 1.00 0.00 H new ATOM 0 HA MET A 92 1.761 -2.880 15.433 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.279 -3.420 13.742 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.052 -3.728 12.644 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.790 -5.571 13.813 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.236 -4.959 15.358 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.283 -6.897 12.076 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.539 -5.144 12.246 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.087 -5.776 11.898 1.00 0.00 H new ATOM 1379 N LEU A 93 2.924 -1.634 12.650 1.00 0.00 N ATOM 1380 CA LEU A 93 4.097 -1.411 11.825 1.00 0.00 C ATOM 1381 C LEU A 93 5.266 -0.878 12.643 1.00 0.00 C ATOM 1382 O LEU A 93 6.376 -0.732 12.135 1.00 0.00 O ATOM 1383 CB LEU A 93 3.743 -0.450 10.703 1.00 0.00 C ATOM 1384 CG LEU A 93 3.145 -1.108 9.455 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.163 -2.031 8.802 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.877 -1.875 9.809 1.00 0.00 C ATOM 0 H LEU A 93 2.108 -1.091 12.367 1.00 0.00 H new ATOM 0 HA LEU A 93 4.412 -2.365 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.034 0.285 11.084 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.642 0.095 10.414 1.00 0.00 H new ATOM 0 HG LEU A 93 2.883 -0.324 8.744 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.723 -2.490 7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.043 -1.456 8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.454 -2.809 9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.467 -2.335 8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.112 -2.650 10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.143 -1.189 10.232 1.00 0.00 H new ATOM 1398 N LEU A 94 5.012 -0.604 13.915 1.00 0.00 N ATOM 1399 CA LEU A 94 6.053 -0.162 14.823 1.00 0.00 C ATOM 1400 C LEU A 94 6.357 -1.275 15.813 1.00 0.00 C ATOM 1401 O LEU A 94 6.782 -1.027 16.943 1.00 0.00 O ATOM 1402 CB LEU A 94 5.612 1.100 15.562 1.00 0.00 C ATOM 1403 CG LEU A 94 6.198 2.411 15.031 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.068 2.489 13.512 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.511 3.591 15.698 1.00 0.00 C ATOM 0 H LEU A 94 4.088 -0.682 14.340 1.00 0.00 H new ATOM 0 HA LEU A 94 6.953 0.073 14.255 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.525 1.164 15.519 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.884 0.999 16.613 1.00 0.00 H new ATOM 0 HG LEU A 94 7.260 2.444 15.273 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.491 3.429 13.158 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.604 1.656 13.058 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.015 2.438 13.234 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.932 4.521 15.316 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.443 3.560 15.481 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.664 3.539 16.776 1.00 0.00 H new ATOM 1417 N GLU A 95 6.086 -2.505 15.384 1.00 0.00 N ATOM 1418 CA GLU A 95 6.288 -3.677 16.224 1.00 0.00 C ATOM 1419 C GLU A 95 6.140 -4.968 15.420 1.00 0.00 C ATOM 1420 O GLU A 95 6.243 -6.062 15.973 1.00 0.00 O ATOM 1421 CB GLU A 95 5.287 -3.674 17.384 1.00 0.00 C ATOM 1422 CG GLU A 95 3.876 -4.069 16.974 1.00 0.00 C ATOM 1423 CD GLU A 95 2.985 -4.372 18.163 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.945 -3.546 19.100 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.327 -5.432 18.158 1.00 0.00 O ATOM 0 H GLU A 95 5.724 -2.714 14.454 1.00 0.00 H new ATOM 0 HA GLU A 95 7.303 -3.634 16.619 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.637 -4.359 18.156 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.262 -2.679 17.828 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.433 -3.263 16.389 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.922 -4.945 16.327 1.00 0.00 H new ATOM 1432 N ILE A 96 5.931 -4.836 14.109 1.00 0.00 N ATOM 1433 CA ILE A 96 5.769 -6.004 13.241 1.00 0.00 C ATOM 1434 C ILE A 96 7.032 -6.866 13.213 1.00 0.00 C ATOM 1435 O ILE A 96 7.812 -6.886 14.164 1.00 0.00 O ATOM 1436 CB ILE A 96 5.441 -5.616 11.780 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.605 -4.853 11.138 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.152 -4.817 11.687 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.948 -3.548 11.815 1.00 0.00 C ATOM 0 H ILE A 96 5.870 -3.939 13.627 1.00 0.00 H new ATOM 0 HA ILE A 96 4.935 -6.562 13.667 1.00 0.00 H new ATOM 0 HB ILE A 96 5.294 -6.542 11.224 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.488 -5.492 11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.360 -4.653 10.095 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.956 -4.563 10.645 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.326 -5.412 12.077 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.248 -3.902 12.271 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.782 -3.076 11.295 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.083 -2.886 11.788 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.228 -3.738 12.851 1.00 0.00 H new ATOM 1451 N ASP A 97 7.232 -7.556 12.090 1.00 0.00 N ATOM 1452 CA ASP A 97 8.402 -8.397 11.883 1.00 0.00 C ATOM 1453 C ASP A 97 9.691 -7.584 11.981 1.00 0.00 C ATOM 1454 O ASP A 97 10.787 -8.130 11.856 1.00 0.00 O ATOM 1455 CB ASP A 97 8.307 -9.061 10.509 1.00 0.00 C ATOM 1456 CG ASP A 97 8.936 -10.440 10.485 1.00 0.00 C ATOM 1457 OD1 ASP A 97 9.097 -11.039 11.570 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.265 -10.924 9.381 1.00 0.00 O ATOM 0 H ASP A 97 6.586 -7.545 11.301 1.00 0.00 H new ATOM 0 HA ASP A 97 8.427 -9.158 12.663 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.259 -9.138 10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.798 -8.429 9.769 1.00 0.00 H new ATOM 1463 N ASN A 98 9.536 -6.275 12.180 1.00 0.00 N ATOM 1464 CA ASN A 98 10.659 -5.348 12.304 1.00 0.00 C ATOM 1465 C ASN A 98 11.257 -5.012 10.943 1.00 0.00 C ATOM 1466 O ASN A 98 11.792 -3.920 10.744 1.00 0.00 O ATOM 1467 CB ASN A 98 11.739 -5.903 13.239 1.00 0.00 C ATOM 1468 CG ASN A 98 11.543 -5.458 14.677 1.00 0.00 C ATOM 1469 OD1 ASN A 98 12.492 -5.052 15.347 1.00 0.00 O ATOM 1470 ND2 ASN A 98 10.308 -5.533 15.155 1.00 0.00 N ATOM 0 H ASN A 98 8.623 -5.827 12.260 1.00 0.00 H new ATOM 0 HA ASN A 98 10.269 -4.428 12.740 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.730 -6.992 13.194 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.719 -5.578 12.891 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.114 -5.248 16.115 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.552 -5.876 14.563 1.00 0.00 H new ATOM 1477 N SER A 99 11.149 -5.942 10.004 1.00 0.00 N ATOM 1478 CA SER A 99 11.647 -5.716 8.653 1.00 0.00 C ATOM 1479 C SER A 99 10.702 -4.789 7.901 1.00 0.00 C ATOM 1480 O SER A 99 11.112 -4.062 6.997 1.00 0.00 O ATOM 1481 CB SER A 99 11.796 -7.040 7.901 1.00 0.00 C ATOM 1482 OG SER A 99 12.287 -8.058 8.754 1.00 0.00 O ATOM 0 H SER A 99 10.723 -6.857 10.151 1.00 0.00 H new ATOM 0 HA SER A 99 12.629 -5.249 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.832 -7.339 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.475 -6.909 7.058 1.00 0.00 H new ATOM 0 HG SER A 99 12.372 -8.894 8.250 1.00 0.00 H new ATOM 1488 N GLU A 100 9.434 -4.810 8.301 1.00 0.00 N ATOM 1489 CA GLU A 100 8.424 -3.945 7.706 1.00 0.00 C ATOM 1490 C GLU A 100 8.515 -2.553 8.307 1.00 0.00 C ATOM 1491 O GLU A 100 8.096 -1.577 7.693 1.00 0.00 O ATOM 1492 CB GLU A 100 7.031 -4.535 7.902 1.00 0.00 C ATOM 1493 CG GLU A 100 7.025 -6.053 7.937 1.00 0.00 C ATOM 1494 CD GLU A 100 6.254 -6.660 6.781 1.00 0.00 C ATOM 1495 OE1 GLU A 100 5.014 -6.512 6.751 1.00 0.00 O ATOM 1496 OE2 GLU A 100 6.892 -7.282 5.905 1.00 0.00 O ATOM 0 H GLU A 100 9.082 -5.420 9.038 1.00 0.00 H new ATOM 0 HA GLU A 100 8.608 -3.871 6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.610 -4.155 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.382 -4.194 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.052 -6.417 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.588 -6.389 8.877 1.00 0.00 H new ATOM 1503 N LEU A 101 9.098 -2.471 9.500 1.00 0.00 N ATOM 1504 CA LEU A 101 9.317 -1.192 10.164 1.00 0.00 C ATOM 1505 C LEU A 101 10.481 -0.460 9.501 1.00 0.00 C ATOM 1506 O LEU A 101 10.576 0.764 9.555 1.00 0.00 O ATOM 1507 CB LEU A 101 9.613 -1.412 11.655 1.00 0.00 C ATOM 1508 CG LEU A 101 9.781 -0.145 12.511 1.00 0.00 C ATOM 1509 CD1 LEU A 101 11.233 0.307 12.521 1.00 0.00 C ATOM 1510 CD2 LEU A 101 8.872 0.979 12.027 1.00 0.00 C ATOM 0 H LEU A 101 9.428 -3.279 10.027 1.00 0.00 H new ATOM 0 HA LEU A 101 8.416 -0.586 10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.805 -2.007 12.080 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.524 -2.005 11.739 1.00 0.00 H new ATOM 0 HG LEU A 101 9.488 -0.393 13.531 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.330 1.204 13.132 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.857 -0.484 12.936 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.553 0.525 11.502 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.016 1.859 12.654 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.117 1.225 10.994 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.832 0.657 12.087 1.00 0.00 H new ATOM 1522 N LEU A 102 11.364 -1.234 8.878 1.00 0.00 N ATOM 1523 CA LEU A 102 12.541 -0.690 8.210 1.00 0.00 C ATOM 1524 C LEU A 102 12.251 -0.366 6.756 1.00 0.00 C ATOM 1525 O LEU A 102 12.631 0.693 6.261 1.00 0.00 O ATOM 1526 CB LEU A 102 13.697 -1.689 8.297 1.00 0.00 C ATOM 1527 CG LEU A 102 14.732 -1.391 9.385 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.207 -1.807 10.750 1.00 0.00 C ATOM 1529 CD2 LEU A 102 16.045 -2.095 9.078 1.00 0.00 C ATOM 0 H LEU A 102 11.285 -2.249 8.822 1.00 0.00 H new ATOM 0 HA LEU A 102 12.817 0.236 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.285 -2.683 8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.204 -1.719 7.333 1.00 0.00 H new ATOM 0 HG LEU A 102 14.915 -0.317 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.956 -1.587 11.510 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.293 -1.256 10.972 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.995 -2.876 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.769 -1.872 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.879 -3.171 9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.429 -1.747 8.119 1.00 0.00 H new ATOM 1541 N HIS A 103 11.586 -1.283 6.073 1.00 0.00 N ATOM 1542 CA HIS A 103 11.271 -1.093 4.672 1.00 0.00 C ATOM 1543 C HIS A 103 10.254 0.029 4.485 1.00 0.00 C ATOM 1544 O HIS A 103 10.339 0.796 3.529 1.00 0.00 O ATOM 1545 CB HIS A 103 10.745 -2.402 4.083 1.00 0.00 C ATOM 1546 CG HIS A 103 11.391 -2.780 2.786 1.00 0.00 C ATOM 1547 ND1 HIS A 103 12.253 -1.926 2.138 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.271 -3.922 2.064 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.635 -2.561 1.044 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.066 -3.772 0.959 1.00 0.00 N ATOM 0 H HIS A 103 11.256 -2.164 6.467 1.00 0.00 H new ATOM 0 HA HIS A 103 12.180 -0.804 4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.902 -3.204 4.804 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.669 -2.316 3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.666 -4.782 2.312 1.00 0.00 H new ATOM 0 HE1 HIS A 103 13.318 -2.156 0.312 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.200 -4.453 0.212 1.00 0.00 H new ATOM 1558 N MET A 104 9.303 0.130 5.412 1.00 0.00 N ATOM 1559 CA MET A 104 8.273 1.166 5.348 1.00 0.00 C ATOM 1560 C MET A 104 8.895 2.558 5.350 1.00 0.00 C ATOM 1561 O MET A 104 8.373 3.478 4.722 1.00 0.00 O ATOM 1562 CB MET A 104 7.313 1.035 6.532 1.00 0.00 C ATOM 1563 CG MET A 104 7.986 1.266 7.867 1.00 0.00 C ATOM 1564 SD MET A 104 6.968 2.224 9.003 1.00 0.00 S ATOM 1565 CE MET A 104 5.356 1.524 8.661 1.00 0.00 C ATOM 0 H MET A 104 9.224 -0.493 6.216 1.00 0.00 H new ATOM 0 HA MET A 104 7.722 1.031 4.417 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.499 1.750 6.413 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.868 0.040 6.523 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.223 0.304 8.321 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.931 1.784 7.708 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.633 1.907 9.381 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.046 1.800 7.653 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.407 0.438 8.740 1.00 0.00 H new ATOM 1575 N LEU A 105 9.984 2.716 6.097 1.00 0.00 N ATOM 1576 CA LEU A 105 10.683 3.992 6.169 1.00 0.00 C ATOM 1577 C LEU A 105 11.695 4.093 5.044 1.00 0.00 C ATOM 1578 O LEU A 105 12.277 5.151 4.803 1.00 0.00 O ATOM 1579 CB LEU A 105 11.406 4.137 7.511 1.00 0.00 C ATOM 1580 CG LEU A 105 10.621 3.663 8.734 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.526 3.594 9.953 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.444 4.585 8.994 1.00 0.00 C ATOM 0 H LEU A 105 10.400 1.975 6.661 1.00 0.00 H new ATOM 0 HA LEU A 105 9.947 4.790 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.341 3.579 7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.667 5.186 7.652 1.00 0.00 H new ATOM 0 HG LEU A 105 10.238 2.662 8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.951 3.255 10.814 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.340 2.895 9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.937 4.583 10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.894 4.235 9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.807 5.597 9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.784 4.586 8.126 1.00 0.00 H new ATOM 1594 N GLU A 106 11.908 2.972 4.373 1.00 0.00 N ATOM 1595 CA GLU A 106 12.900 2.893 3.321 1.00 0.00 C ATOM 1596 C GLU A 106 12.265 2.805 1.937 1.00 0.00 C ATOM 1597 O GLU A 106 12.967 2.805 0.926 1.00 0.00 O ATOM 1598 CB GLU A 106 13.791 1.676 3.569 1.00 0.00 C ATOM 1599 CG GLU A 106 14.839 1.909 4.634 1.00 0.00 C ATOM 1600 CD GLU A 106 15.711 3.115 4.348 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.204 3.235 3.206 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.901 3.942 5.265 1.00 0.00 O ATOM 0 H GLU A 106 11.403 2.102 4.542 1.00 0.00 H new ATOM 0 HA GLU A 106 13.493 3.807 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.167 0.831 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.285 1.400 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.347 2.043 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.469 1.023 4.717 1.00 0.00 H new ATOM 1609 N SER A 107 10.939 2.741 1.888 1.00 0.00 N ATOM 1610 CA SER A 107 10.238 2.637 0.611 1.00 0.00 C ATOM 1611 C SER A 107 8.848 3.271 0.670 1.00 0.00 C ATOM 1612 O SER A 107 8.065 2.986 1.577 1.00 0.00 O ATOM 1613 CB SER A 107 10.116 1.171 0.202 1.00 0.00 C ATOM 1614 OG SER A 107 10.106 1.031 -1.208 1.00 0.00 O ATOM 0 H SER A 107 10.332 2.759 2.708 1.00 0.00 H new ATOM 0 HA SER A 107 10.823 3.182 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.947 0.604 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.201 0.750 0.618 1.00 0.00 H new ATOM 0 HG SER A 107 10.029 0.082 -1.442 1.00 0.00 H new ATOM 1620 N PRO A 108 8.510 4.123 -0.321 1.00 0.00 N ATOM 1621 CA PRO A 108 7.203 4.791 -0.389 1.00 0.00 C ATOM 1622 C PRO A 108 6.070 3.807 -0.668 1.00 0.00 C ATOM 1623 O PRO A 108 4.901 4.188 -0.731 1.00 0.00 O ATOM 1624 CB PRO A 108 7.349 5.779 -1.557 1.00 0.00 C ATOM 1625 CG PRO A 108 8.813 5.850 -1.837 1.00 0.00 C ATOM 1626 CD PRO A 108 9.374 4.515 -1.443 1.00 0.00 C ATOM 0 HA PRO A 108 6.948 5.272 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.798 5.436 -2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.952 6.759 -1.294 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.999 6.056 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.281 6.653 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.326 3.797 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.420 4.587 -1.144 1.00 0.00 H new ATOM 1634 N GLU A 109 6.432 2.542 -0.844 1.00 0.00 N ATOM 1635 CA GLU A 109 5.460 1.487 -1.104 1.00 0.00 C ATOM 1636 C GLU A 109 5.481 0.465 0.013 1.00 0.00 C ATOM 1637 O GLU A 109 4.476 -0.173 0.295 1.00 0.00 O ATOM 1638 CB GLU A 109 5.762 0.807 -2.439 1.00 0.00 C ATOM 1639 CG GLU A 109 5.950 -0.695 -2.340 1.00 0.00 C ATOM 1640 CD GLU A 109 5.632 -1.413 -3.638 1.00 0.00 C ATOM 1641 OE1 GLU A 109 6.089 -0.946 -4.702 1.00 0.00 O ATOM 1642 OE2 GLU A 109 4.928 -2.444 -3.588 1.00 0.00 O ATOM 0 H GLU A 109 7.399 2.220 -0.811 1.00 0.00 H new ATOM 0 HA GLU A 109 4.467 1.935 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.948 1.016 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.664 1.248 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.980 -0.910 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.311 -1.085 -1.548 1.00 0.00 H new ATOM 1649 N SER A 110 6.625 0.313 0.653 1.00 0.00 N ATOM 1650 CA SER A 110 6.748 -0.659 1.721 1.00 0.00 C ATOM 1651 C SER A 110 5.818 -0.311 2.863 1.00 0.00 C ATOM 1652 O SER A 110 5.130 -1.170 3.394 1.00 0.00 O ATOM 1653 CB SER A 110 8.182 -0.736 2.225 1.00 0.00 C ATOM 1654 OG SER A 110 8.821 -1.907 1.752 1.00 0.00 O ATOM 0 H SER A 110 7.473 0.844 0.455 1.00 0.00 H new ATOM 0 HA SER A 110 6.470 -1.634 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.735 0.143 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.190 -0.728 3.315 1.00 0.00 H new ATOM 0 HG SER A 110 9.502 -1.664 1.091 1.00 0.00 H new ATOM 1660 N LEU A 111 5.758 0.959 3.209 1.00 0.00 N ATOM 1661 CA LEU A 111 4.890 1.385 4.290 1.00 0.00 C ATOM 1662 C LEU A 111 3.431 1.080 3.980 1.00 0.00 C ATOM 1663 O LEU A 111 2.635 0.850 4.886 1.00 0.00 O ATOM 1664 CB LEU A 111 5.052 2.869 4.563 1.00 0.00 C ATOM 1665 CG LEU A 111 4.311 3.348 5.802 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.175 4.310 6.586 1.00 0.00 C ATOM 1667 CD2 LEU A 111 2.984 3.982 5.417 1.00 0.00 C ATOM 0 H LEU A 111 6.292 1.706 2.765 1.00 0.00 H new ATOM 0 HA LEU A 111 5.182 0.826 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.112 3.095 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.696 3.429 3.698 1.00 0.00 H new ATOM 0 HG LEU A 111 4.095 2.491 6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.634 4.646 7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.094 3.809 6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.421 5.170 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.467 4.319 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.164 4.834 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.367 3.248 4.898 1.00 0.00 H new ATOM 1679 N ARG A 112 3.081 1.102 2.701 1.00 0.00 N ATOM 1680 CA ARG A 112 1.713 0.826 2.284 1.00 0.00 C ATOM 1681 C ARG A 112 1.522 -0.664 2.034 1.00 0.00 C ATOM 1682 O ARG A 112 0.760 -1.329 2.731 1.00 0.00 O ATOM 1683 CB ARG A 112 1.372 1.636 1.026 1.00 0.00 C ATOM 1684 CG ARG A 112 0.494 0.899 0.026 1.00 0.00 C ATOM 1685 CD ARG A 112 0.160 1.771 -1.172 1.00 0.00 C ATOM 1686 NE ARG A 112 0.250 1.032 -2.428 1.00 0.00 N ATOM 1687 CZ ARG A 112 1.086 1.349 -3.412 1.00 0.00 C ATOM 1688 NH1 ARG A 112 1.901 2.387 -3.287 1.00 0.00 N ATOM 1689 NH2 ARG A 112 1.106 0.626 -4.524 1.00 0.00 N ATOM 0 H ARG A 112 3.724 1.308 1.936 1.00 0.00 H new ATOM 0 HA ARG A 112 1.035 1.125 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.869 2.555 1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.299 1.927 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.004 -0.004 -0.311 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.427 0.582 0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.847 2.172 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.841 2.622 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.363 0.227 -2.558 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.888 2.946 -2.434 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.541 2.627 -4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.480 -0.173 -4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.747 0.869 -5.279 1.00 0.00 H new ATOM 1703 N SER A 113 2.244 -1.175 1.048 1.00 0.00 N ATOM 1704 CA SER A 113 2.181 -2.580 0.683 1.00 0.00 C ATOM 1705 C SER A 113 2.331 -3.482 1.909 1.00 0.00 C ATOM 1706 O SER A 113 1.703 -4.537 1.987 1.00 0.00 O ATOM 1707 CB SER A 113 3.272 -2.887 -0.347 1.00 0.00 C ATOM 1708 OG SER A 113 3.366 -1.851 -1.308 1.00 0.00 O ATOM 0 H SER A 113 2.889 -0.627 0.479 1.00 0.00 H new ATOM 0 HA SER A 113 1.203 -2.783 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.230 -3.008 0.158 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.052 -3.831 -0.845 1.00 0.00 H new ATOM 0 HG SER A 113 3.737 -1.047 -0.887 1.00 0.00 H new ATOM 1714 N LYS A 114 3.179 -3.076 2.856 1.00 0.00 N ATOM 1715 CA LYS A 114 3.374 -3.854 4.079 1.00 0.00 C ATOM 1716 C LYS A 114 2.252 -3.596 5.076 1.00 0.00 C ATOM 1717 O LYS A 114 1.855 -4.499 5.806 1.00 0.00 O ATOM 1718 CB LYS A 114 4.727 -3.557 4.725 1.00 0.00 C ATOM 1719 CG LYS A 114 5.909 -3.885 3.829 1.00 0.00 C ATOM 1720 CD LYS A 114 6.033 -5.381 3.586 1.00 0.00 C ATOM 1721 CE LYS A 114 7.218 -5.705 2.690 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.932 -6.851 1.783 1.00 0.00 N ATOM 0 H LYS A 114 3.735 -2.223 2.801 1.00 0.00 H new ATOM 0 HA LYS A 114 3.356 -4.906 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.768 -2.502 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.813 -4.127 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.797 -3.370 2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.826 -3.513 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.145 -5.897 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.117 -5.753 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.475 -4.828 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.086 -5.938 3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.765 -7.040 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.712 -7.695 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.120 -6.619 1.177 1.00 0.00 H new ATOM 1736 N VAL A 115 1.758 -2.358 5.126 1.00 0.00 N ATOM 1737 CA VAL A 115 0.660 -2.029 6.030 1.00 0.00 C ATOM 1738 C VAL A 115 -0.555 -2.880 5.671 1.00 0.00 C ATOM 1739 O VAL A 115 -1.108 -3.572 6.525 1.00 0.00 O ATOM 1740 CB VAL A 115 0.304 -0.515 6.011 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.204 -0.277 5.979 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.901 0.181 7.222 1.00 0.00 C ATOM 0 H VAL A 115 2.095 -1.579 4.560 1.00 0.00 H new ATOM 0 HA VAL A 115 0.980 -2.253 7.048 1.00 0.00 H new ATOM 0 HB VAL A 115 0.728 -0.099 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.403 0.795 5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.626 -0.735 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.661 -0.721 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.644 1.240 7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.503 -0.267 8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.985 0.070 7.208 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.908 -2.885 4.385 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.028 -3.684 3.897 1.00 0.00 C ATOM 1754 C ASP A 116 -1.851 -5.158 4.259 1.00 0.00 C ATOM 1755 O ASP A 116 -2.818 -5.853 4.577 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.166 -3.532 2.381 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.289 -4.376 1.813 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -4.465 -3.994 1.984 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -2.991 -5.421 1.196 1.00 0.00 O ATOM 0 H ASP A 116 -0.433 -2.343 3.663 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.936 -3.320 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.345 -2.484 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.227 -3.813 1.904 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.611 -5.630 4.205 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.305 -7.010 4.558 1.00 0.00 C ATOM 1766 C GLU A 117 -0.425 -7.197 6.063 1.00 0.00 C ATOM 1767 O GLU A 117 -0.930 -8.214 6.538 1.00 0.00 O ATOM 1768 CB GLU A 117 1.106 -7.368 4.077 1.00 0.00 C ATOM 1769 CG GLU A 117 1.980 -8.025 5.134 1.00 0.00 C ATOM 1770 CD GLU A 117 3.248 -8.625 4.556 1.00 0.00 C ATOM 1771 OE1 GLU A 117 4.028 -7.876 3.933 1.00 0.00 O ATOM 1772 OE2 GLU A 117 3.458 -9.845 4.727 1.00 0.00 O ATOM 0 H GLU A 117 0.198 -5.078 3.920 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.017 -7.676 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.026 -8.038 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.599 -6.461 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.245 -7.287 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.410 -8.806 5.637 1.00 0.00 H new ATOM 1779 N ALA A 118 0.035 -6.196 6.805 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.052 -6.222 8.256 1.00 0.00 C ATOM 1781 C ALA A 118 -1.508 -6.279 8.684 1.00 0.00 C ATOM 1782 O ALA A 118 -1.830 -6.788 9.753 1.00 0.00 O ATOM 1783 CB ALA A 118 0.643 -5.013 8.860 1.00 0.00 C ATOM 0 H ALA A 118 0.472 -5.357 6.423 1.00 0.00 H new ATOM 0 HA ALA A 118 0.456 -7.114 8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.565 -5.054 9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.694 -5.016 8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.169 -4.101 8.496 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.384 -5.771 7.823 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.818 -5.822 8.067 1.00 0.00 C ATOM 1791 C VAL A 119 -4.256 -7.260 8.196 1.00 0.00 C ATOM 1792 O VAL A 119 -4.878 -7.654 9.178 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.593 -5.189 6.915 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.058 -5.021 7.260 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -3.979 -3.869 6.568 1.00 0.00 C ATOM 0 H VAL A 119 -2.123 -5.318 6.947 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.023 -5.270 8.985 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.536 -5.853 6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.580 -4.567 6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.495 -5.996 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.154 -4.378 8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.532 -3.416 5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.016 -3.211 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.941 -4.018 6.270 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.911 -8.036 7.181 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.206 -9.451 7.162 1.00 0.00 C ATOM 1807 C ALA A 120 -3.657 -10.113 8.421 1.00 0.00 C ATOM 1808 O ALA A 120 -4.177 -11.125 8.893 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.597 -10.072 5.916 1.00 0.00 C ATOM 0 H ALA A 120 -3.421 -7.700 6.352 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.285 -9.603 7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.817 -11.139 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.020 -9.599 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.517 -9.924 5.926 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.616 -9.498 8.974 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.973 -9.984 10.181 1.00 0.00 C ATOM 1817 C VAL A 121 -2.684 -9.459 11.427 1.00 0.00 C ATOM 1818 O VAL A 121 -2.711 -10.121 12.464 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.491 -9.558 10.205 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.090 -9.658 11.605 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.314 -10.394 9.223 1.00 0.00 C ATOM 0 H VAL A 121 -2.198 -8.649 8.595 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.033 -11.072 10.181 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.434 -8.513 9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.136 -9.351 11.588 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.468 -9.007 12.278 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.020 -10.688 11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.358 -10.082 9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.242 -11.447 9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.080 -10.253 8.217 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.255 -8.265 11.316 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.978 -7.657 12.424 1.00 0.00 C ATOM 1833 C LEU A 122 -5.320 -8.351 12.614 1.00 0.00 C ATOM 1834 O LEU A 122 -5.746 -8.615 13.738 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.171 -6.152 12.172 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.623 -5.681 12.030 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -6.015 -4.808 13.210 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.818 -4.934 10.721 1.00 0.00 C ATOM 0 H LEU A 122 -3.230 -7.699 10.468 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.395 -7.777 13.337 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.709 -5.603 12.993 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.631 -5.882 11.264 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.271 -6.558 12.021 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.049 -4.482 13.094 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.916 -5.379 14.133 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.362 -3.936 13.250 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.855 -4.608 10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.161 -4.064 10.697 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.578 -5.593 9.887 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.978 -8.650 11.498 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.257 -9.341 11.521 1.00 0.00 C ATOM 1852 C GLN A 123 -7.083 -10.733 12.114 1.00 0.00 C ATOM 1853 O GLN A 123 -7.954 -11.236 12.824 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.828 -9.428 10.103 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.458 -8.131 9.621 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.634 -7.701 10.477 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.755 -8.174 10.293 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.382 -6.802 11.421 1.00 0.00 N ATOM 0 H GLN A 123 -5.642 -8.422 10.563 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.956 -8.783 12.143 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.031 -9.713 9.416 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.576 -10.220 10.069 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.705 -7.343 9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.789 -8.253 8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.437 -6.437 11.538 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.134 -6.477 12.029 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.927 -11.331 11.843 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.589 -12.644 12.377 1.00 0.00 C ATOM 1869 C ALA A 124 -5.191 -12.542 13.842 1.00 0.00 C ATOM 1870 O ALA A 124 -5.603 -13.349 14.660 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.462 -13.260 11.561 1.00 0.00 C ATOM 0 H ALA A 124 -5.204 -10.922 11.251 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.467 -13.286 12.308 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.214 -14.241 11.966 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.779 -13.365 10.523 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.584 -12.616 11.609 1.00 0.00 H new