USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 953 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 79 CYS SG : rot -134:sc= -0.0671 USER MOD Set 2.2: A 83 ASN : amide:sc= -2.25! X(o=-2.3!,f=-2.2) USER MOD Set 3.1: A 78 ASN : amide:sc= -3.41! C(o=-4.3!,f=-6!) USER MOD Set 3.2: A 81 LYS NZ :NH3+ -138:sc= -0.864 (180deg=-2.17!) USER MOD Set 4.1: A 56 ASN : amide:sc= 0.0966 K(o=0.07,f=-0.62) USER MOD Set 4.2: A 62 TYR OH : rot 30:sc= -0.027 USER MOD Set 5.1: A 20 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Set 5.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 18 GLN : amide:sc= -3.32! K(o=-6!,f=0) USER MOD Set 6.2: A 106 GLN : amide:sc= -2.63! K(o=-6!,f=1.4) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.00977 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 62:sc= 1.2 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 26 ASN : amide:sc= -2.69! C(o=-2.7!,f=-3.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.022) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 151:sc= -0.69 (180deg=-1.06) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -147:sc= -0.345 (180deg=-1.37) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0712 X(o=-0.071,f=-0.071) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.89! C(o=-2.9!,f=-8.9!) USER MOD Single : A 73 ASN : amide:sc= -0.0744 K(o=-0.074,f=-0.98) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 29:sc= -0.787 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -58:sc= -0.34 USER MOD Single : A 90 TYR OH : rot -49:sc= -1.48 USER MOD Single : A 99 GLN : amide:sc= -3.52 K(o=-3.5,f=-6.4!) USER MOD Single : A 113 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0113) USER MOD Single : A 114 MET CE :methyl 158:sc= -0.597 (180deg=-1.41!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 36:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.527 17.593 -4.437 1.00 0.00 N ATOM 2 CA GLY A 1 8.088 17.783 -4.424 1.00 0.00 C ATOM 3 C GLY A 1 7.697 19.247 -4.413 1.00 0.00 C ATOM 4 O GLY A 1 8.339 20.074 -5.060 1.00 0.00 O ATOM 0 H1 GLY A 1 9.772 16.840 -5.112 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.992 18.479 -4.723 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.850 17.324 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.653 17.300 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.668 17.291 -3.547 1.00 0.00 H new ATOM 8 N SER A 2 6.639 19.570 -3.675 1.00 0.00 N ATOM 9 CA SER A 2 6.159 20.945 -3.587 1.00 0.00 C ATOM 10 C SER A 2 5.534 21.214 -2.221 1.00 0.00 C ATOM 11 O SER A 2 4.962 20.319 -1.600 1.00 0.00 O ATOM 12 CB SER A 2 5.138 21.223 -4.692 1.00 0.00 C ATOM 13 OG SER A 2 4.071 20.292 -4.648 1.00 0.00 O ATOM 0 H SER A 2 6.098 18.899 -3.130 1.00 0.00 H new ATOM 0 HA SER A 2 7.012 21.611 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.747 22.234 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.628 21.174 -5.665 1.00 0.00 H new ATOM 0 HG SER A 2 3.432 20.493 -5.363 1.00 0.00 H new ATOM 19 N SER A 3 5.647 22.456 -1.762 1.00 0.00 N ATOM 20 CA SER A 3 5.096 22.845 -0.468 1.00 0.00 C ATOM 21 C SER A 3 3.779 23.595 -0.642 1.00 0.00 C ATOM 22 O SER A 3 3.697 24.560 -1.400 1.00 0.00 O ATOM 23 CB SER A 3 6.096 23.716 0.294 1.00 0.00 C ATOM 24 OG SER A 3 7.166 22.939 0.803 1.00 0.00 O ATOM 0 H SER A 3 6.114 23.210 -2.266 1.00 0.00 H new ATOM 0 HA SER A 3 4.904 21.938 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.487 24.490 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.589 24.224 1.114 1.00 0.00 H new ATOM 0 HG SER A 3 7.792 23.520 1.284 1.00 0.00 H new ATOM 30 N GLY A 4 2.749 23.143 0.068 1.00 0.00 N ATOM 31 CA GLY A 4 1.450 23.782 -0.021 1.00 0.00 C ATOM 32 C GLY A 4 0.308 22.803 0.167 1.00 0.00 C ATOM 33 O GLY A 4 -0.556 23.003 1.020 1.00 0.00 O ATOM 0 H GLY A 4 2.792 22.346 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.381 24.565 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.353 24.267 -0.992 1.00 0.00 H new ATOM 37 N SER A 5 0.303 21.742 -0.634 1.00 0.00 N ATOM 38 CA SER A 5 -0.744 20.730 -0.556 1.00 0.00 C ATOM 39 C SER A 5 -0.446 19.724 0.552 1.00 0.00 C ATOM 40 O SER A 5 -0.608 18.517 0.370 1.00 0.00 O ATOM 41 CB SER A 5 -0.883 20.004 -1.896 1.00 0.00 C ATOM 42 OG SER A 5 -2.211 19.554 -2.097 1.00 0.00 O ATOM 0 H SER A 5 1.012 21.561 -1.344 1.00 0.00 H new ATOM 0 HA SER A 5 -1.683 21.232 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.596 20.673 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.200 19.155 -1.926 1.00 0.00 H new ATOM 0 HG SER A 5 -2.274 19.095 -2.961 1.00 0.00 H new ATOM 48 N SER A 6 -0.009 20.230 1.700 1.00 0.00 N ATOM 49 CA SER A 6 0.315 19.377 2.838 1.00 0.00 C ATOM 50 C SER A 6 -0.875 18.502 3.218 1.00 0.00 C ATOM 51 O SER A 6 -0.729 17.304 3.454 1.00 0.00 O ATOM 52 CB SER A 6 0.742 20.227 4.035 1.00 0.00 C ATOM 53 OG SER A 6 1.796 21.107 3.687 1.00 0.00 O ATOM 0 H SER A 6 0.129 21.227 1.867 1.00 0.00 H new ATOM 0 HA SER A 6 1.142 18.728 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.110 20.801 4.399 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.061 19.578 4.850 1.00 0.00 H new ATOM 0 HG SER A 6 2.049 21.640 4.469 1.00 0.00 H new ATOM 59 N GLY A 7 -2.056 19.112 3.276 1.00 0.00 N ATOM 60 CA GLY A 7 -3.255 18.376 3.629 1.00 0.00 C ATOM 61 C GLY A 7 -3.296 16.997 3.000 1.00 0.00 C ATOM 62 O GLY A 7 -3.507 15.999 3.688 1.00 0.00 O ATOM 0 H GLY A 7 -2.203 20.103 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.312 18.279 4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.131 18.942 3.313 1.00 0.00 H new ATOM 66 N PHE A 8 -3.092 16.941 1.688 1.00 0.00 N ATOM 67 CA PHE A 8 -3.109 15.675 0.964 1.00 0.00 C ATOM 68 C PHE A 8 -2.150 14.674 1.601 1.00 0.00 C ATOM 69 O PHE A 8 -2.422 13.473 1.638 1.00 0.00 O ATOM 70 CB PHE A 8 -2.735 15.897 -0.503 1.00 0.00 C ATOM 71 CG PHE A 8 -2.485 14.621 -1.256 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.536 13.916 -1.820 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.198 14.128 -1.401 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.308 12.743 -2.513 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.964 12.954 -2.093 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.021 12.262 -2.651 1.00 0.00 C ATOM 0 H PHE A 8 -2.913 17.758 1.104 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.119 15.268 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.536 16.449 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.842 16.520 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.545 14.288 -1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.368 14.667 -0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.136 12.202 -2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.043 12.579 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.841 11.346 -3.194 1.00 0.00 H new ATOM 86 N LEU A 9 -1.025 15.175 2.099 1.00 0.00 N ATOM 87 CA LEU A 9 -0.024 14.325 2.734 1.00 0.00 C ATOM 88 C LEU A 9 -0.602 13.621 3.957 1.00 0.00 C ATOM 89 O LEU A 9 -0.424 12.415 4.133 1.00 0.00 O ATOM 90 CB LEU A 9 1.196 15.156 3.139 1.00 0.00 C ATOM 91 CG LEU A 9 1.802 16.035 2.045 1.00 0.00 C ATOM 92 CD1 LEU A 9 3.040 16.751 2.561 1.00 0.00 C ATOM 93 CD2 LEU A 9 2.138 15.204 0.817 1.00 0.00 C ATOM 0 H LEU A 9 -0.783 16.166 2.075 1.00 0.00 H new ATOM 0 HA LEU A 9 0.282 13.567 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.914 15.795 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.968 14.478 3.502 1.00 0.00 H new ATOM 0 HG LEU A 9 1.065 16.786 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.458 17.372 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.770 17.379 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.781 16.016 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.568 15.847 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.857 14.430 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.230 14.738 0.433 1.00 0.00 H new ATOM 105 N ILE A 10 -1.297 14.380 4.797 1.00 0.00 N ATOM 106 CA ILE A 10 -1.905 13.829 6.002 1.00 0.00 C ATOM 107 C ILE A 10 -2.935 12.759 5.656 1.00 0.00 C ATOM 108 O ILE A 10 -3.105 11.784 6.390 1.00 0.00 O ATOM 109 CB ILE A 10 -2.583 14.925 6.844 1.00 0.00 C ATOM 110 CG1 ILE A 10 -1.539 15.917 7.363 1.00 0.00 C ATOM 111 CG2 ILE A 10 -3.353 14.304 7.999 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.147 16.967 6.347 1.00 0.00 C ATOM 0 H ILE A 10 -1.453 15.379 4.665 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.100 13.382 6.585 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.288 15.466 6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.930 16.411 8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.648 15.368 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.827 15.091 8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.117 13.633 7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.667 13.742 8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.404 17.635 6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.726 16.482 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.028 17.541 6.059 1.00 0.00 H new ATOM 124 N LEU A 11 -3.620 12.945 4.533 1.00 0.00 N ATOM 125 CA LEU A 11 -4.634 11.995 4.088 1.00 0.00 C ATOM 126 C LEU A 11 -4.015 10.631 3.805 1.00 0.00 C ATOM 127 O LEU A 11 -4.660 9.596 3.978 1.00 0.00 O ATOM 128 CB LEU A 11 -5.335 12.519 2.833 1.00 0.00 C ATOM 129 CG LEU A 11 -6.398 11.602 2.227 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.595 11.484 3.156 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.829 12.116 0.861 1.00 0.00 C ATOM 0 H LEU A 11 -3.492 13.745 3.914 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.367 11.882 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.802 13.474 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.578 12.716 2.074 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.965 10.610 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.340 10.827 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.274 11.069 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.030 12.471 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.586 11.451 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.244 13.119 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.967 12.146 0.195 1.00 0.00 H new ATOM 143 N LEU A 12 -2.759 10.635 3.373 1.00 0.00 N ATOM 144 CA LEU A 12 -2.049 9.396 3.069 1.00 0.00 C ATOM 145 C LEU A 12 -1.612 8.692 4.349 1.00 0.00 C ATOM 146 O LEU A 12 -1.924 7.519 4.562 1.00 0.00 O ATOM 147 CB LEU A 12 -0.830 9.686 2.192 1.00 0.00 C ATOM 148 CG LEU A 12 -1.080 9.710 0.683 1.00 0.00 C ATOM 149 CD1 LEU A 12 -2.156 10.727 0.337 1.00 0.00 C ATOM 150 CD2 LEU A 12 0.208 10.017 -0.065 1.00 0.00 C ATOM 0 H LEU A 12 -2.210 11.482 3.225 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.730 8.739 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.416 10.650 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.069 8.935 2.402 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.429 8.724 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.321 10.730 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.083 10.462 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.836 11.718 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.012 10.030 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.587 10.991 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.950 9.251 0.159 1.00 0.00 H new ATOM 162 N ARG A 13 -0.891 9.413 5.201 1.00 0.00 N ATOM 163 CA ARG A 13 -0.412 8.856 6.460 1.00 0.00 C ATOM 164 C ARG A 13 -1.553 8.197 7.231 1.00 0.00 C ATOM 165 O ARG A 13 -1.379 7.133 7.826 1.00 0.00 O ATOM 166 CB ARG A 13 0.229 9.951 7.315 1.00 0.00 C ATOM 167 CG ARG A 13 1.466 10.570 6.685 1.00 0.00 C ATOM 168 CD ARG A 13 1.748 11.952 7.254 1.00 0.00 C ATOM 169 NE ARG A 13 3.016 12.494 6.770 1.00 0.00 N ATOM 170 CZ ARG A 13 3.441 13.723 7.042 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.705 14.532 7.791 1.00 0.00 N ATOM 172 NH2 ARG A 13 4.605 14.144 6.565 1.00 0.00 N ATOM 0 H ARG A 13 -0.626 10.385 5.042 1.00 0.00 H new ATOM 0 HA ARG A 13 0.337 8.097 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.506 10.735 7.498 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.496 9.533 8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.326 9.922 6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.330 10.640 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.937 12.628 6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.768 11.899 8.343 1.00 0.00 H new ATOM 0 HE ARG A 13 3.607 11.896 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.810 14.211 8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.034 15.475 7.998 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.174 13.524 5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.931 15.088 6.774 1.00 0.00 H new ATOM 186 N LYS A 14 -2.717 8.835 7.216 1.00 0.00 N ATOM 187 CA LYS A 14 -3.886 8.311 7.912 1.00 0.00 C ATOM 188 C LYS A 14 -4.492 7.137 7.150 1.00 0.00 C ATOM 189 O LYS A 14 -4.831 6.109 7.738 1.00 0.00 O ATOM 190 CB LYS A 14 -4.934 9.412 8.091 1.00 0.00 C ATOM 191 CG LYS A 14 -6.284 8.896 8.559 1.00 0.00 C ATOM 192 CD LYS A 14 -7.182 8.543 7.386 1.00 0.00 C ATOM 193 CE LYS A 14 -7.846 9.779 6.800 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.090 10.143 7.534 1.00 0.00 N ATOM 0 H LYS A 14 -2.877 9.717 6.729 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.566 7.959 8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.563 10.141 8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.063 9.937 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.141 8.016 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.770 9.652 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.595 8.044 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.947 7.838 7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.148 10.616 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.083 9.601 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.512 10.990 7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.767 9.355 7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.861 10.338 8.530 1.00 0.00 H new ATOM 208 N THR A 15 -4.626 7.295 5.837 1.00 0.00 N ATOM 209 CA THR A 15 -5.190 6.249 4.995 1.00 0.00 C ATOM 210 C THR A 15 -4.363 4.971 5.077 1.00 0.00 C ATOM 211 O THR A 15 -4.901 3.865 5.010 1.00 0.00 O ATOM 212 CB THR A 15 -5.277 6.697 3.524 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.252 7.735 3.384 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.642 5.526 2.622 1.00 0.00 C ATOM 0 H THR A 15 -4.351 8.139 5.334 1.00 0.00 H new ATOM 0 HA THR A 15 -6.195 6.052 5.367 1.00 0.00 H new ATOM 0 HB THR A 15 -4.300 7.075 3.225 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.977 8.515 3.910 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.698 5.867 1.588 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.882 4.750 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.608 5.122 2.923 1.00 0.00 H new ATOM 222 N LEU A 16 -3.052 5.129 5.224 1.00 0.00 N ATOM 223 CA LEU A 16 -2.149 3.986 5.315 1.00 0.00 C ATOM 224 C LEU A 16 -2.461 3.144 6.549 1.00 0.00 C ATOM 225 O LEU A 16 -2.451 1.915 6.491 1.00 0.00 O ATOM 226 CB LEU A 16 -0.697 4.462 5.363 1.00 0.00 C ATOM 227 CG LEU A 16 0.353 3.387 5.651 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.359 2.339 4.549 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.731 4.014 5.801 1.00 0.00 C ATOM 0 H LEU A 16 -2.591 6.037 5.283 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.293 3.368 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.457 4.929 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.614 5.236 6.126 1.00 0.00 H new ATOM 0 HG LEU A 16 0.095 2.896 6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.112 1.582 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.622 1.868 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.592 2.814 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.465 3.235 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.998 4.531 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.719 4.726 6.626 1.00 0.00 H new ATOM 241 N GLU A 17 -2.740 3.815 7.663 1.00 0.00 N ATOM 242 CA GLU A 17 -3.056 3.127 8.909 1.00 0.00 C ATOM 243 C GLU A 17 -4.329 2.299 8.765 1.00 0.00 C ATOM 244 O GLU A 17 -4.376 1.139 9.174 1.00 0.00 O ATOM 245 CB GLU A 17 -3.218 4.138 10.047 1.00 0.00 C ATOM 246 CG GLU A 17 -1.955 4.930 10.341 1.00 0.00 C ATOM 247 CD GLU A 17 -1.960 5.541 11.729 1.00 0.00 C ATOM 248 OE1 GLU A 17 -2.802 6.427 11.984 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.121 5.132 12.559 1.00 0.00 O ATOM 0 H GLU A 17 -2.753 4.833 7.727 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.231 2.455 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.021 4.831 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.524 3.610 10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.089 4.276 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.846 5.722 9.600 1.00 0.00 H new ATOM 256 N GLN A 18 -5.359 2.903 8.182 1.00 0.00 N ATOM 257 CA GLN A 18 -6.633 2.221 7.985 1.00 0.00 C ATOM 258 C GLN A 18 -6.437 0.910 7.230 1.00 0.00 C ATOM 259 O GLN A 18 -7.128 -0.077 7.489 1.00 0.00 O ATOM 260 CB GLN A 18 -7.605 3.122 7.222 1.00 0.00 C ATOM 261 CG GLN A 18 -7.974 4.392 7.973 1.00 0.00 C ATOM 262 CD GLN A 18 -9.323 4.944 7.557 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.310 4.815 8.283 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.373 5.566 6.385 1.00 0.00 N ATOM 0 H GLN A 18 -5.337 3.863 7.838 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.052 1.996 8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.161 3.392 6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.514 2.561 7.005 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.984 4.187 9.043 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.207 5.147 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.531 5.650 5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.254 5.960 6.054 1.00 0.00 H new ATOM 273 N LEU A 19 -5.494 0.907 6.295 1.00 0.00 N ATOM 274 CA LEU A 19 -5.207 -0.283 5.501 1.00 0.00 C ATOM 275 C LEU A 19 -4.516 -1.348 6.346 1.00 0.00 C ATOM 276 O LEU A 19 -4.802 -2.539 6.218 1.00 0.00 O ATOM 277 CB LEU A 19 -4.333 0.078 4.300 1.00 0.00 C ATOM 278 CG LEU A 19 -4.990 0.950 3.230 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.940 1.533 2.298 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.017 0.147 2.444 1.00 0.00 C ATOM 0 H LEU A 19 -4.915 1.715 6.068 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.154 -0.687 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.444 0.593 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.996 -0.846 3.830 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.504 1.774 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.426 2.151 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.243 2.143 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.397 0.724 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.475 0.784 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.526 -0.697 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.787 -0.221 3.122 1.00 0.00 H new ATOM 292 N GLN A 20 -3.607 -0.911 7.212 1.00 0.00 N ATOM 293 CA GLN A 20 -2.876 -1.827 8.079 1.00 0.00 C ATOM 294 C GLN A 20 -3.835 -2.683 8.899 1.00 0.00 C ATOM 295 O GLN A 20 -3.687 -3.903 8.970 1.00 0.00 O ATOM 296 CB GLN A 20 -1.945 -1.048 9.011 1.00 0.00 C ATOM 297 CG GLN A 20 -0.738 -0.452 8.305 1.00 0.00 C ATOM 298 CD GLN A 20 0.466 -0.323 9.218 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.895 0.784 9.546 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.018 -1.457 9.634 1.00 0.00 N ATOM 0 H GLN A 20 -3.360 0.071 7.332 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.279 -2.485 7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.509 -0.246 9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.601 -1.711 9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.476 -1.076 7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.999 0.531 7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.630 -2.352 9.337 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.830 -1.433 10.250 1.00 0.00 H new ATOM 309 N GLU A 21 -4.818 -2.036 9.516 1.00 0.00 N ATOM 310 CA GLU A 21 -5.801 -2.740 10.332 1.00 0.00 C ATOM 311 C GLU A 21 -6.138 -4.098 9.727 1.00 0.00 C ATOM 312 O GLU A 21 -6.114 -5.121 10.413 1.00 0.00 O ATOM 313 CB GLU A 21 -7.074 -1.902 10.473 1.00 0.00 C ATOM 314 CG GLU A 21 -7.020 -0.899 11.612 1.00 0.00 C ATOM 315 CD GLU A 21 -7.437 -1.502 12.940 1.00 0.00 C ATOM 316 OE1 GLU A 21 -8.548 -2.068 13.011 1.00 0.00 O ATOM 317 OE2 GLU A 21 -6.653 -1.408 13.908 1.00 0.00 O ATOM 0 H GLU A 21 -4.955 -1.026 9.467 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.368 -2.899 11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.253 -1.369 9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.922 -2.569 10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.007 -0.506 11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.670 -0.056 11.380 1.00 0.00 H new ATOM 324 N LYS A 22 -6.453 -4.104 8.436 1.00 0.00 N ATOM 325 CA LYS A 22 -6.794 -5.336 7.735 1.00 0.00 C ATOM 326 C LYS A 22 -5.756 -6.421 8.006 1.00 0.00 C ATOM 327 O LYS A 22 -6.104 -7.564 8.302 1.00 0.00 O ATOM 328 CB LYS A 22 -6.897 -5.079 6.230 1.00 0.00 C ATOM 329 CG LYS A 22 -7.862 -3.963 5.869 1.00 0.00 C ATOM 330 CD LYS A 22 -9.301 -4.351 6.164 1.00 0.00 C ATOM 331 CE LYS A 22 -10.171 -3.126 6.402 1.00 0.00 C ATOM 332 NZ LYS A 22 -10.057 -2.626 7.800 1.00 0.00 N ATOM 0 H LYS A 22 -6.479 -3.267 7.853 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.760 -5.680 8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.908 -4.832 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.213 -5.996 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.605 -3.064 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.759 -3.720 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.702 -4.927 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.332 -4.997 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.882 -2.336 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.211 -3.373 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.665 -1.791 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.357 -3.371 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.069 -2.366 7.996 1.00 0.00 H new ATOM 346 N ASP A 23 -4.484 -6.055 7.905 1.00 0.00 N ATOM 347 CA ASP A 23 -3.396 -6.996 8.141 1.00 0.00 C ATOM 348 C ASP A 23 -3.531 -7.648 9.514 1.00 0.00 C ATOM 349 O ASP A 23 -3.505 -6.969 10.542 1.00 0.00 O ATOM 350 CB ASP A 23 -2.045 -6.287 8.030 1.00 0.00 C ATOM 351 CG ASP A 23 -0.877 -7.230 8.243 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.107 -8.361 8.720 1.00 0.00 O ATOM 353 OD2 ASP A 23 0.266 -6.837 7.932 1.00 0.00 O ATOM 0 H ASP A 23 -4.180 -5.112 7.661 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.451 -7.775 7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.960 -5.825 7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.998 -5.483 8.765 1.00 0.00 H new ATOM 358 N THR A 24 -3.675 -8.970 9.524 1.00 0.00 N ATOM 359 CA THR A 24 -3.816 -9.713 10.770 1.00 0.00 C ATOM 360 C THR A 24 -2.535 -10.467 11.108 1.00 0.00 C ATOM 361 O THR A 24 -2.046 -10.405 12.236 1.00 0.00 O ATOM 362 CB THR A 24 -4.983 -10.715 10.697 1.00 0.00 C ATOM 363 OG1 THR A 24 -4.730 -11.689 9.678 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.294 -9.999 10.407 1.00 0.00 C ATOM 0 H THR A 24 -3.697 -9.547 8.683 1.00 0.00 H new ATOM 0 HA THR A 24 -4.022 -8.982 11.552 1.00 0.00 H new ATOM 0 HB THR A 24 -5.065 -11.213 11.663 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.476 -12.323 9.639 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.104 -10.727 10.360 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.499 -9.279 11.200 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.220 -9.477 9.453 1.00 0.00 H new ATOM 372 N GLY A 25 -1.994 -11.178 10.124 1.00 0.00 N ATOM 373 CA GLY A 25 -0.774 -11.933 10.338 1.00 0.00 C ATOM 374 C GLY A 25 0.465 -11.061 10.281 1.00 0.00 C ATOM 375 O GLY A 25 1.587 -11.566 10.273 1.00 0.00 O ATOM 0 H GLY A 25 -2.379 -11.245 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.822 -12.428 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.698 -12.716 9.584 1.00 0.00 H new ATOM 379 N ASN A 26 0.261 -9.749 10.238 1.00 0.00 N ATOM 380 CA ASN A 26 1.371 -8.804 10.179 1.00 0.00 C ATOM 381 C ASN A 26 2.466 -9.310 9.245 1.00 0.00 C ATOM 382 O ASN A 26 3.652 -9.071 9.475 1.00 0.00 O ATOM 383 CB ASN A 26 1.947 -8.573 11.578 1.00 0.00 C ATOM 384 CG ASN A 26 2.321 -9.869 12.271 1.00 0.00 C ATOM 385 OD1 ASN A 26 1.472 -10.540 12.857 1.00 0.00 O ATOM 386 ND2 ASN A 26 3.598 -10.226 12.207 1.00 0.00 N ATOM 0 H ASN A 26 -0.662 -9.315 10.243 1.00 0.00 H new ATOM 0 HA ASN A 26 0.991 -7.860 9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.829 -7.936 11.504 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.217 -8.037 12.185 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.910 -11.088 12.655 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.267 -9.639 11.710 1.00 0.00 H new ATOM 393 N ILE A 27 2.059 -10.008 8.189 1.00 0.00 N ATOM 394 CA ILE A 27 3.005 -10.545 7.218 1.00 0.00 C ATOM 395 C ILE A 27 3.612 -9.433 6.369 1.00 0.00 C ATOM 396 O ILE A 27 4.793 -9.476 6.024 1.00 0.00 O ATOM 397 CB ILE A 27 2.335 -11.578 6.293 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.761 -12.735 7.113 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.334 -12.092 5.265 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.815 -13.618 6.331 1.00 0.00 C ATOM 0 H ILE A 27 1.081 -10.215 7.984 1.00 0.00 H new ATOM 0 HA ILE A 27 3.796 -11.037 7.785 1.00 0.00 H new ATOM 0 HB ILE A 27 1.515 -11.093 5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.582 -13.343 7.493 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.236 -12.331 7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.847 -12.821 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.698 -11.259 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.173 -12.564 5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.447 -14.417 6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.026 -13.024 5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.341 -14.051 5.480 1.00 0.00 H new ATOM 412 N PHE A 28 2.796 -8.439 6.036 1.00 0.00 N ATOM 413 CA PHE A 28 3.252 -7.315 5.227 1.00 0.00 C ATOM 414 C PHE A 28 3.655 -6.137 6.110 1.00 0.00 C ATOM 415 O PHE A 28 4.437 -5.279 5.701 1.00 0.00 O ATOM 416 CB PHE A 28 2.156 -6.884 4.251 1.00 0.00 C ATOM 417 CG PHE A 28 1.253 -8.007 3.828 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.125 -8.322 4.568 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.533 -8.748 2.692 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.707 -9.357 4.181 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.705 -9.782 2.300 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.418 -10.087 3.046 1.00 0.00 C ATOM 0 H PHE A 28 1.816 -8.389 6.314 1.00 0.00 H new ATOM 0 HA PHE A 28 4.126 -7.638 4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.556 -6.101 4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.620 -6.449 3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.107 -7.753 5.456 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.409 -8.515 2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.583 -9.594 4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.935 -10.351 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.067 -10.894 2.741 1.00 0.00 H new ATOM 432 N SER A 29 3.114 -6.104 7.324 1.00 0.00 N ATOM 433 CA SER A 29 3.413 -5.030 8.264 1.00 0.00 C ATOM 434 C SER A 29 4.901 -4.689 8.246 1.00 0.00 C ATOM 435 O SER A 29 5.297 -3.578 8.595 1.00 0.00 O ATOM 436 CB SER A 29 2.987 -5.429 9.679 1.00 0.00 C ATOM 437 OG SER A 29 2.669 -4.287 10.456 1.00 0.00 O ATOM 0 H SER A 29 2.467 -6.808 7.679 1.00 0.00 H new ATOM 0 HA SER A 29 2.852 -4.147 7.958 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.123 -6.091 9.629 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.790 -5.988 10.160 1.00 0.00 H new ATOM 0 HG SER A 29 2.398 -4.568 11.355 1.00 0.00 H new ATOM 443 N GLU A 30 5.716 -5.654 7.835 1.00 0.00 N ATOM 444 CA GLU A 30 7.160 -5.457 7.771 1.00 0.00 C ATOM 445 C GLU A 30 7.707 -5.877 6.409 1.00 0.00 C ATOM 446 O GLU A 30 7.158 -6.746 5.732 1.00 0.00 O ATOM 447 CB GLU A 30 7.855 -6.254 8.878 1.00 0.00 C ATOM 448 CG GLU A 30 7.222 -6.071 10.247 1.00 0.00 C ATOM 449 CD GLU A 30 8.170 -6.417 11.379 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.299 -5.885 11.392 1.00 0.00 O ATOM 451 OE2 GLU A 30 7.782 -7.221 12.253 1.00 0.00 O ATOM 0 H GLU A 30 5.402 -6.579 7.542 1.00 0.00 H new ATOM 0 HA GLU A 30 7.363 -4.396 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.838 -7.312 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.902 -5.954 8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.894 -5.037 10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.333 -6.697 10.319 1.00 0.00 H new ATOM 458 N PRO A 31 8.815 -5.242 5.997 1.00 0.00 N ATOM 459 CA PRO A 31 9.460 -5.532 4.713 1.00 0.00 C ATOM 460 C PRO A 31 10.121 -6.906 4.693 1.00 0.00 C ATOM 461 O PRO A 31 10.810 -7.288 5.638 1.00 0.00 O ATOM 462 CB PRO A 31 10.516 -4.429 4.590 1.00 0.00 C ATOM 463 CG PRO A 31 10.811 -4.030 5.995 1.00 0.00 C ATOM 464 CD PRO A 31 9.522 -4.195 6.752 1.00 0.00 C ATOM 0 HA PRO A 31 8.743 -5.550 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.411 -4.792 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.142 -3.586 4.009 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.596 -4.654 6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.162 -2.999 6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.698 -4.494 7.785 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.952 -3.267 6.782 1.00 0.00 H new ATOM 472 N VAL A 32 9.907 -7.645 3.609 1.00 0.00 N ATOM 473 CA VAL A 32 10.482 -8.976 3.465 1.00 0.00 C ATOM 474 C VAL A 32 12.001 -8.936 3.598 1.00 0.00 C ATOM 475 O VAL A 32 12.699 -8.273 2.831 1.00 0.00 O ATOM 476 CB VAL A 32 10.114 -9.604 2.107 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.743 -10.981 1.967 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.603 -9.680 1.949 1.00 0.00 C ATOM 0 H VAL A 32 9.339 -7.343 2.817 1.00 0.00 H new ATOM 0 HA VAL A 32 10.065 -9.588 4.265 1.00 0.00 H new ATOM 0 HB VAL A 32 10.509 -8.969 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.472 -11.408 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.827 -10.894 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.381 -11.629 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.360 -10.126 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.184 -10.292 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.181 -8.676 2.001 1.00 0.00 H new ATOM 488 N PRO A 33 12.526 -9.662 4.596 1.00 0.00 N ATOM 489 CA PRO A 33 13.968 -9.728 4.853 1.00 0.00 C ATOM 490 C PRO A 33 14.717 -10.494 3.769 1.00 0.00 C ATOM 491 O PRO A 33 14.360 -11.625 3.434 1.00 0.00 O ATOM 492 CB PRO A 33 14.057 -10.468 6.191 1.00 0.00 C ATOM 493 CG PRO A 33 12.810 -11.280 6.256 1.00 0.00 C ATOM 494 CD PRO A 33 11.754 -10.478 5.549 1.00 0.00 C ATOM 0 HA PRO A 33 14.425 -8.738 4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.944 -11.100 6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.120 -9.770 7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.950 -12.249 5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.525 -11.474 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.036 -11.120 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.189 -9.857 6.244 1.00 0.00 H new ATOM 502 N LEU A 34 15.756 -9.873 3.222 1.00 0.00 N ATOM 503 CA LEU A 34 16.557 -10.498 2.175 1.00 0.00 C ATOM 504 C LEU A 34 17.364 -11.667 2.731 1.00 0.00 C ATOM 505 O LEU A 34 17.630 -12.641 2.027 1.00 0.00 O ATOM 506 CB LEU A 34 17.495 -9.470 1.541 1.00 0.00 C ATOM 507 CG LEU A 34 16.822 -8.309 0.807 1.00 0.00 C ATOM 508 CD1 LEU A 34 17.865 -7.419 0.147 1.00 0.00 C ATOM 509 CD2 LEU A 34 15.835 -8.832 -0.225 1.00 0.00 C ATOM 0 H LEU A 34 16.064 -8.937 3.486 1.00 0.00 H new ATOM 0 HA LEU A 34 15.879 -10.880 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.132 -9.058 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.148 -9.988 0.838 1.00 0.00 H new ATOM 0 HG LEU A 34 16.273 -7.712 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.368 -6.598 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.534 -7.016 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.441 -8.004 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.365 -7.992 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.362 -9.452 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.069 -9.427 0.273 1.00 0.00 H new ATOM 521 N SER A 35 17.750 -11.563 3.998 1.00 0.00 N ATOM 522 CA SER A 35 18.529 -12.610 4.649 1.00 0.00 C ATOM 523 C SER A 35 17.969 -13.990 4.316 1.00 0.00 C ATOM 524 O SER A 35 18.720 -14.938 4.092 1.00 0.00 O ATOM 525 CB SER A 35 18.536 -12.402 6.165 1.00 0.00 C ATOM 526 OG SER A 35 19.637 -13.064 6.764 1.00 0.00 O ATOM 0 H SER A 35 17.536 -10.764 4.595 1.00 0.00 H new ATOM 0 HA SER A 35 19.552 -12.552 4.277 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.582 -11.336 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.606 -12.777 6.591 1.00 0.00 H new ATOM 0 HG SER A 35 19.621 -12.915 7.732 1.00 0.00 H new ATOM 532 N GLU A 36 16.644 -14.092 4.286 1.00 0.00 N ATOM 533 CA GLU A 36 15.982 -15.355 3.982 1.00 0.00 C ATOM 534 C GLU A 36 15.612 -15.433 2.503 1.00 0.00 C ATOM 535 O GLU A 36 15.537 -16.519 1.927 1.00 0.00 O ATOM 536 CB GLU A 36 14.728 -15.520 4.842 1.00 0.00 C ATOM 537 CG GLU A 36 14.206 -16.947 4.891 1.00 0.00 C ATOM 538 CD GLU A 36 13.215 -17.244 3.782 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.035 -16.862 3.924 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.620 -17.859 2.773 1.00 0.00 O ATOM 0 H GLU A 36 16.008 -13.316 4.468 1.00 0.00 H new ATOM 0 HA GLU A 36 16.677 -16.163 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.947 -15.187 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.944 -14.869 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.045 -17.639 4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.730 -17.123 5.856 1.00 0.00 H new ATOM 547 N VAL A 37 15.383 -14.274 1.894 1.00 0.00 N ATOM 548 CA VAL A 37 15.022 -14.210 0.484 1.00 0.00 C ATOM 549 C VAL A 37 16.094 -13.490 -0.326 1.00 0.00 C ATOM 550 O VAL A 37 16.008 -12.289 -0.587 1.00 0.00 O ATOM 551 CB VAL A 37 13.673 -13.494 0.282 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.990 -13.988 -0.984 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.776 -13.695 1.495 1.00 0.00 C ATOM 0 H VAL A 37 15.441 -13.366 2.356 1.00 0.00 H new ATOM 0 HA VAL A 37 14.935 -15.238 0.133 1.00 0.00 H new ATOM 0 HB VAL A 37 13.862 -12.426 0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.039 -13.471 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.629 -13.787 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.812 -15.061 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.827 -13.182 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.593 -14.760 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.264 -13.287 2.380 1.00 0.00 H new ATOM 563 N PRO A 38 17.128 -14.238 -0.735 1.00 0.00 N ATOM 564 CA PRO A 38 18.238 -13.692 -1.523 1.00 0.00 C ATOM 565 C PRO A 38 17.816 -13.325 -2.941 1.00 0.00 C ATOM 566 O PRO A 38 18.502 -12.566 -3.626 1.00 0.00 O ATOM 567 CB PRO A 38 19.253 -14.836 -1.546 1.00 0.00 C ATOM 568 CG PRO A 38 18.440 -16.069 -1.354 1.00 0.00 C ATOM 569 CD PRO A 38 17.296 -15.675 -0.461 1.00 0.00 C ATOM 0 HA PRO A 38 18.627 -12.768 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.797 -14.864 -2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.994 -14.723 -0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 38 18.077 -16.450 -2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.034 -16.862 -0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.392 -16.237 -0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.524 -15.860 0.589 1.00 0.00 H new ATOM 577 N ASP A 39 16.684 -13.867 -3.376 1.00 0.00 N ATOM 578 CA ASP A 39 16.170 -13.595 -4.713 1.00 0.00 C ATOM 579 C ASP A 39 14.818 -12.892 -4.643 1.00 0.00 C ATOM 580 O ASP A 39 13.961 -13.086 -5.506 1.00 0.00 O ATOM 581 CB ASP A 39 16.042 -14.896 -5.508 1.00 0.00 C ATOM 582 CG ASP A 39 17.322 -15.259 -6.236 1.00 0.00 C ATOM 583 OD1 ASP A 39 18.412 -14.977 -5.695 1.00 0.00 O ATOM 584 OD2 ASP A 39 17.233 -15.824 -7.345 1.00 0.00 O ATOM 0 H ASP A 39 16.105 -14.498 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 39 16.876 -12.937 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.770 -15.706 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.232 -14.798 -6.231 1.00 0.00 H new ATOM 589 N TYR A 40 14.634 -12.076 -3.610 1.00 0.00 N ATOM 590 CA TYR A 40 13.385 -11.348 -3.426 1.00 0.00 C ATOM 591 C TYR A 40 13.078 -10.476 -4.640 1.00 0.00 C ATOM 592 O TYR A 40 11.949 -10.451 -5.131 1.00 0.00 O ATOM 593 CB TYR A 40 13.457 -10.481 -2.168 1.00 0.00 C ATOM 594 CG TYR A 40 12.196 -9.691 -1.904 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.949 -10.299 -1.947 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.253 -8.333 -1.611 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.793 -9.580 -1.707 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.103 -7.606 -1.369 1.00 0.00 C ATOM 599 CZ TYR A 40 9.876 -8.234 -1.419 1.00 0.00 C ATOM 600 OH TYR A 40 8.728 -7.514 -1.178 1.00 0.00 O ATOM 0 H TYR A 40 15.334 -11.903 -2.888 1.00 0.00 H new ATOM 0 HA TYR A 40 12.583 -12.077 -3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.662 -11.119 -1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.295 -9.791 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.881 -11.353 -2.172 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.212 -7.838 -1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.831 -10.069 -1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.165 -6.552 -1.142 1.00 0.00 H new ATOM 0 HH TYR A 40 8.961 -6.581 -0.990 1.00 0.00 H new ATOM 610 N LEU A 41 14.091 -9.764 -5.120 1.00 0.00 N ATOM 611 CA LEU A 41 13.933 -8.890 -6.277 1.00 0.00 C ATOM 612 C LEU A 41 13.966 -9.693 -7.574 1.00 0.00 C ATOM 613 O LEU A 41 13.332 -9.322 -8.562 1.00 0.00 O ATOM 614 CB LEU A 41 15.032 -7.827 -6.294 1.00 0.00 C ATOM 615 CG LEU A 41 15.373 -7.194 -4.945 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.670 -6.404 -5.039 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.237 -6.300 -4.472 1.00 0.00 C ATOM 0 H LEU A 41 15.032 -9.775 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 41 12.963 -8.398 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.938 -8.276 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 14.733 -7.034 -6.980 1.00 0.00 H new ATOM 0 HG LEU A 41 15.508 -7.992 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.897 -5.960 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.481 -7.070 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.562 -5.615 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.498 -5.858 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.069 -5.508 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.328 -6.892 -4.365 1.00 0.00 H new ATOM 629 N ASP A 42 14.705 -10.797 -7.562 1.00 0.00 N ATOM 630 CA ASP A 42 14.818 -11.654 -8.735 1.00 0.00 C ATOM 631 C ASP A 42 13.472 -11.791 -9.440 1.00 0.00 C ATOM 632 O ASP A 42 13.402 -11.822 -10.669 1.00 0.00 O ATOM 633 CB ASP A 42 15.342 -13.034 -8.336 1.00 0.00 C ATOM 634 CG ASP A 42 15.492 -13.964 -9.525 1.00 0.00 C ATOM 635 OD1 ASP A 42 16.004 -13.512 -10.571 1.00 0.00 O ATOM 636 OD2 ASP A 42 15.096 -15.141 -9.410 1.00 0.00 O ATOM 0 H ASP A 42 15.235 -11.119 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 42 15.524 -11.192 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.307 -12.924 -7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.662 -13.482 -7.612 1.00 0.00 H new ATOM 641 N HIS A 43 12.404 -11.874 -8.653 1.00 0.00 N ATOM 642 CA HIS A 43 11.060 -12.009 -9.201 1.00 0.00 C ATOM 643 C HIS A 43 10.259 -10.726 -9.000 1.00 0.00 C ATOM 644 O HIS A 43 9.394 -10.389 -9.808 1.00 0.00 O ATOM 645 CB HIS A 43 10.334 -13.184 -8.545 1.00 0.00 C ATOM 646 CG HIS A 43 11.016 -14.501 -8.754 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.534 -15.472 -9.608 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.150 -15.006 -8.215 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.342 -16.516 -9.584 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.332 -16.259 -8.747 1.00 0.00 N ATOM 0 H HIS A 43 12.444 -11.850 -7.634 1.00 0.00 H new ATOM 0 HA HIS A 43 11.149 -12.198 -10.271 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.247 -12.995 -7.475 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.321 -13.242 -8.942 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.793 -14.515 -7.499 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.215 -17.426 -10.152 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.105 -16.889 -8.531 1.00 0.00 H new ATOM 659 N ILE A 44 10.554 -10.015 -7.916 1.00 0.00 N ATOM 660 CA ILE A 44 9.862 -8.769 -7.609 1.00 0.00 C ATOM 661 C ILE A 44 10.642 -7.565 -8.128 1.00 0.00 C ATOM 662 O ILE A 44 11.613 -7.127 -7.511 1.00 0.00 O ATOM 663 CB ILE A 44 9.638 -8.607 -6.094 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.841 -9.792 -5.546 1.00 0.00 C ATOM 665 CG2 ILE A 44 8.921 -7.298 -5.801 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.646 -10.161 -6.396 1.00 0.00 C ATOM 0 H ILE A 44 11.267 -10.280 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 44 8.894 -8.815 -8.108 1.00 0.00 H new ATOM 0 HB ILE A 44 10.608 -8.585 -5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.500 -10.656 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.501 -9.555 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.770 -7.198 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.524 -6.464 -6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.955 -7.292 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.128 -11.009 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.966 -9.311 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.981 -10.429 -7.398 1.00 0.00 H new ATOM 678 N LYS A 45 10.209 -7.032 -9.265 1.00 0.00 N ATOM 679 CA LYS A 45 10.864 -5.876 -9.867 1.00 0.00 C ATOM 680 C LYS A 45 10.837 -4.682 -8.919 1.00 0.00 C ATOM 681 O LYS A 45 11.850 -4.010 -8.722 1.00 0.00 O ATOM 682 CB LYS A 45 10.182 -5.508 -11.187 1.00 0.00 C ATOM 683 CG LYS A 45 10.394 -6.534 -12.287 1.00 0.00 C ATOM 684 CD LYS A 45 11.807 -6.473 -12.842 1.00 0.00 C ATOM 685 CE LYS A 45 12.007 -7.476 -13.967 1.00 0.00 C ATOM 686 NZ LYS A 45 11.528 -6.948 -15.274 1.00 0.00 N ATOM 0 H LYS A 45 9.407 -7.382 -9.789 1.00 0.00 H new ATOM 0 HA LYS A 45 11.903 -6.139 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.112 -5.390 -11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.559 -4.543 -11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.198 -7.533 -11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.679 -6.360 -13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.012 -5.467 -13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.522 -6.673 -12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.064 -7.729 -14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.475 -8.397 -13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.682 -7.662 -16.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.513 -6.730 -15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.054 -6.083 -15.513 1.00 0.00 H new ATOM 700 N LYS A 46 9.674 -4.422 -8.334 1.00 0.00 N ATOM 701 CA LYS A 46 9.516 -3.310 -7.404 1.00 0.00 C ATOM 702 C LYS A 46 8.796 -3.759 -6.135 1.00 0.00 C ATOM 703 O LYS A 46 7.568 -3.746 -6.051 1.00 0.00 O ATOM 704 CB LYS A 46 8.739 -2.171 -8.066 1.00 0.00 C ATOM 705 CG LYS A 46 8.560 -0.956 -7.172 1.00 0.00 C ATOM 706 CD LYS A 46 8.068 0.248 -7.959 1.00 0.00 C ATOM 707 CE LYS A 46 7.246 1.185 -7.087 1.00 0.00 C ATOM 708 NZ LYS A 46 7.156 2.551 -7.673 1.00 0.00 N ATOM 0 H LYS A 46 8.825 -4.967 -8.487 1.00 0.00 H new ATOM 0 HA LYS A 46 10.510 -2.954 -7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.258 -1.869 -8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.758 -2.538 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.849 -1.188 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.508 -0.715 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.920 0.787 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.465 -0.089 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.243 0.777 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.694 1.244 -6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.588 3.159 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.111 2.951 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.706 2.498 -8.609 1.00 0.00 H new ATOM 722 N PRO A 47 9.578 -4.167 -5.125 1.00 0.00 N ATOM 723 CA PRO A 47 9.036 -4.626 -3.842 1.00 0.00 C ATOM 724 C PRO A 47 8.416 -3.490 -3.034 1.00 0.00 C ATOM 725 O PRO A 47 8.947 -2.382 -2.996 1.00 0.00 O ATOM 726 CB PRO A 47 10.264 -5.187 -3.118 1.00 0.00 C ATOM 727 CG PRO A 47 11.420 -4.465 -3.719 1.00 0.00 C ATOM 728 CD PRO A 47 11.049 -4.210 -5.155 1.00 0.00 C ATOM 0 HA PRO A 47 8.234 -5.351 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.204 -5.013 -2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.351 -6.264 -3.262 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.612 -3.529 -3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.330 -5.061 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.471 -3.273 -5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.415 -5.000 -5.811 1.00 0.00 H new ATOM 736 N MET A 48 7.288 -3.776 -2.391 1.00 0.00 N ATOM 737 CA MET A 48 6.596 -2.778 -1.583 1.00 0.00 C ATOM 738 C MET A 48 6.026 -3.405 -0.315 1.00 0.00 C ATOM 739 O MET A 48 5.773 -4.609 -0.267 1.00 0.00 O ATOM 740 CB MET A 48 5.475 -2.124 -2.392 1.00 0.00 C ATOM 741 CG MET A 48 4.945 -0.842 -1.771 1.00 0.00 C ATOM 742 SD MET A 48 6.231 0.399 -1.536 1.00 0.00 S ATOM 743 CE MET A 48 6.988 0.414 -3.158 1.00 0.00 C ATOM 0 H MET A 48 6.834 -4.689 -2.414 1.00 0.00 H new ATOM 0 HA MET A 48 7.319 -2.015 -1.295 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.841 -1.907 -3.396 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.654 -2.833 -2.498 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.161 -0.431 -2.408 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.487 -1.071 -0.809 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.404 1.402 -3.356 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.784 -0.330 -3.195 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.237 0.179 -3.912 1.00 0.00 H new ATOM 753 N ASP A 49 5.827 -2.583 0.709 1.00 0.00 N ATOM 754 CA ASP A 49 5.284 -3.057 1.977 1.00 0.00 C ATOM 755 C ASP A 49 4.555 -1.936 2.710 1.00 0.00 C ATOM 756 O ASP A 49 4.512 -0.798 2.240 1.00 0.00 O ATOM 757 CB ASP A 49 6.404 -3.615 2.857 1.00 0.00 C ATOM 758 CG ASP A 49 6.936 -4.940 2.347 1.00 0.00 C ATOM 759 OD1 ASP A 49 6.224 -5.956 2.483 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.066 -4.959 1.813 1.00 0.00 O ATOM 0 H ASP A 49 6.034 -1.584 0.686 1.00 0.00 H new ATOM 0 HA ASP A 49 4.569 -3.851 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.219 -2.893 2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.033 -3.743 3.874 1.00 0.00 H new ATOM 765 N PHE A 50 3.982 -2.264 3.862 1.00 0.00 N ATOM 766 CA PHE A 50 3.252 -1.286 4.659 1.00 0.00 C ATOM 767 C PHE A 50 4.205 -0.269 5.279 1.00 0.00 C ATOM 768 O PHE A 50 3.858 0.899 5.455 1.00 0.00 O ATOM 769 CB PHE A 50 2.451 -1.987 5.759 1.00 0.00 C ATOM 770 CG PHE A 50 1.073 -2.399 5.327 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.259 -1.520 4.631 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.592 -3.666 5.617 1.00 0.00 C ATOM 773 CE1 PHE A 50 -1.010 -1.897 4.232 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.676 -4.048 5.220 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.478 -3.162 4.528 1.00 0.00 C ATOM 0 H PHE A 50 4.009 -3.201 4.265 1.00 0.00 H new ATOM 0 HA PHE A 50 2.564 -0.758 3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.998 -2.870 6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.370 -1.322 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.620 -0.529 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.214 -4.363 6.159 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.635 -1.203 3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.039 -5.039 5.451 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.470 -3.458 4.219 1.00 0.00 H new ATOM 785 N PHE A 51 5.410 -0.721 5.609 1.00 0.00 N ATOM 786 CA PHE A 51 6.416 0.148 6.211 1.00 0.00 C ATOM 787 C PHE A 51 7.236 0.856 5.136 1.00 0.00 C ATOM 788 O PHE A 51 7.581 2.030 5.274 1.00 0.00 O ATOM 789 CB PHE A 51 7.339 -0.661 7.124 1.00 0.00 C ATOM 790 CG PHE A 51 8.670 -0.007 7.361 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.665 -0.061 6.397 1.00 0.00 C ATOM 792 CD2 PHE A 51 8.928 0.662 8.547 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.891 0.539 6.613 1.00 0.00 C ATOM 794 CE2 PHE A 51 10.152 1.264 8.768 1.00 0.00 C ATOM 795 CZ PHE A 51 11.134 1.203 7.799 1.00 0.00 C ATOM 0 H PHE A 51 5.714 -1.685 5.470 1.00 0.00 H new ATOM 0 HA PHE A 51 5.900 0.903 6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.844 -0.817 8.082 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.500 -1.646 6.685 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.480 -0.578 5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.163 0.713 9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.658 0.489 5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.340 1.781 9.697 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.091 1.674 7.969 1.00 0.00 H new ATOM 805 N THR A 52 7.547 0.132 4.065 1.00 0.00 N ATOM 806 CA THR A 52 8.328 0.688 2.968 1.00 0.00 C ATOM 807 C THR A 52 7.652 1.921 2.380 1.00 0.00 C ATOM 808 O THR A 52 8.262 2.984 2.273 1.00 0.00 O ATOM 809 CB THR A 52 8.542 -0.349 1.848 1.00 0.00 C ATOM 810 OG1 THR A 52 9.308 -1.453 2.343 1.00 0.00 O ATOM 811 CG2 THR A 52 9.255 0.278 0.659 1.00 0.00 C ATOM 0 H THR A 52 7.270 -0.841 3.935 1.00 0.00 H new ATOM 0 HA THR A 52 9.296 0.971 3.382 1.00 0.00 H new ATOM 0 HB THR A 52 7.565 -0.704 1.519 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.438 -2.108 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.395 -0.473 -0.119 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.655 1.099 0.267 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.226 0.657 0.976 1.00 0.00 H new ATOM 819 N MET A 53 6.386 1.772 2.002 1.00 0.00 N ATOM 820 CA MET A 53 5.626 2.876 1.427 1.00 0.00 C ATOM 821 C MET A 53 5.631 4.084 2.359 1.00 0.00 C ATOM 822 O MET A 53 5.786 5.222 1.917 1.00 0.00 O ATOM 823 CB MET A 53 4.187 2.440 1.146 1.00 0.00 C ATOM 824 CG MET A 53 3.459 1.918 2.373 1.00 0.00 C ATOM 825 SD MET A 53 1.982 0.972 1.954 1.00 0.00 S ATOM 826 CE MET A 53 1.052 2.191 1.028 1.00 0.00 C ATOM 0 H MET A 53 5.866 0.899 2.084 1.00 0.00 H new ATOM 0 HA MET A 53 6.102 3.162 0.489 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.633 3.285 0.738 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.194 1.664 0.381 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.136 1.290 2.952 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.180 2.758 3.010 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.014 2.038 1.194 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.332 3.191 1.360 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.272 2.086 -0.034 1.00 0.00 H new ATOM 836 N LYS A 54 5.460 3.828 3.652 1.00 0.00 N ATOM 837 CA LYS A 54 5.446 4.893 4.648 1.00 0.00 C ATOM 838 C LYS A 54 6.701 5.753 4.543 1.00 0.00 C ATOM 839 O LYS A 54 6.622 6.980 4.509 1.00 0.00 O ATOM 840 CB LYS A 54 5.335 4.301 6.055 1.00 0.00 C ATOM 841 CG LYS A 54 5.321 5.349 7.155 1.00 0.00 C ATOM 842 CD LYS A 54 3.905 5.799 7.478 1.00 0.00 C ATOM 843 CE LYS A 54 3.814 6.391 8.876 1.00 0.00 C ATOM 844 NZ LYS A 54 3.510 5.353 9.900 1.00 0.00 N ATOM 0 H LYS A 54 5.329 2.892 4.035 1.00 0.00 H new ATOM 0 HA LYS A 54 4.578 5.525 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.424 3.706 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.171 3.622 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.788 4.943 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.916 6.209 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.582 6.539 6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.225 4.951 7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.755 6.881 9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.040 7.158 8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.456 5.797 10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.600 4.902 9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.262 4.634 9.899 1.00 0.00 H new ATOM 858 N GLN A 55 7.858 5.099 4.491 1.00 0.00 N ATOM 859 CA GLN A 55 9.130 5.805 4.390 1.00 0.00 C ATOM 860 C GLN A 55 9.104 6.811 3.243 1.00 0.00 C ATOM 861 O GLN A 55 9.485 7.968 3.410 1.00 0.00 O ATOM 862 CB GLN A 55 10.274 4.812 4.187 1.00 0.00 C ATOM 863 CG GLN A 55 10.390 3.782 5.301 1.00 0.00 C ATOM 864 CD GLN A 55 11.088 4.330 6.530 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.307 4.505 6.541 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.317 4.603 7.576 1.00 0.00 N ATOM 0 H GLN A 55 7.940 4.083 4.517 1.00 0.00 H new ATOM 0 HA GLN A 55 9.291 6.347 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.131 4.295 3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.212 5.362 4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.394 3.437 5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.938 2.914 4.933 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.311 4.443 7.524 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.731 4.973 8.432 1.00 0.00 H new ATOM 875 N ASN A 56 8.653 6.359 2.077 1.00 0.00 N ATOM 876 CA ASN A 56 8.579 7.218 0.901 1.00 0.00 C ATOM 877 C ASN A 56 7.555 8.331 1.104 1.00 0.00 C ATOM 878 O ASN A 56 7.762 9.467 0.675 1.00 0.00 O ATOM 879 CB ASN A 56 8.216 6.395 -0.336 1.00 0.00 C ATOM 880 CG ASN A 56 9.223 5.297 -0.616 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.413 5.444 -0.337 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.748 4.186 -1.170 1.00 0.00 N ATOM 0 H ASN A 56 8.333 5.403 1.922 1.00 0.00 H new ATOM 0 HA ASN A 56 9.558 7.672 0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.229 5.953 -0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.151 7.054 -1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.378 3.412 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.754 4.108 -1.384 1.00 0.00 H new ATOM 889 N LEU A 57 6.450 7.997 1.761 1.00 0.00 N ATOM 890 CA LEU A 57 5.392 8.967 2.023 1.00 0.00 C ATOM 891 C LEU A 57 5.909 10.118 2.882 1.00 0.00 C ATOM 892 O LEU A 57 5.619 11.283 2.615 1.00 0.00 O ATOM 893 CB LEU A 57 4.210 8.288 2.717 1.00 0.00 C ATOM 894 CG LEU A 57 3.377 9.174 3.643 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.930 8.704 3.674 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.966 9.183 5.046 1.00 0.00 C ATOM 0 H LEU A 57 6.263 7.062 2.122 1.00 0.00 H new ATOM 0 HA LEU A 57 5.060 9.372 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.552 7.877 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.589 7.446 3.297 1.00 0.00 H new ATOM 0 HG LEU A 57 3.399 10.192 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.353 9.347 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.511 8.751 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.889 7.677 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.360 9.819 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.976 8.168 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.985 9.569 5.010 1.00 0.00 H new ATOM 908 N GLU A 58 6.678 9.780 3.914 1.00 0.00 N ATOM 909 CA GLU A 58 7.235 10.786 4.810 1.00 0.00 C ATOM 910 C GLU A 58 8.349 11.569 4.123 1.00 0.00 C ATOM 911 O GLU A 58 8.785 12.610 4.615 1.00 0.00 O ATOM 912 CB GLU A 58 7.771 10.124 6.082 1.00 0.00 C ATOM 913 CG GLU A 58 6.682 9.583 6.992 1.00 0.00 C ATOM 914 CD GLU A 58 7.198 9.228 8.373 1.00 0.00 C ATOM 915 OE1 GLU A 58 7.766 8.127 8.530 1.00 0.00 O ATOM 916 OE2 GLU A 58 7.034 10.052 9.296 1.00 0.00 O ATOM 0 H GLU A 58 6.928 8.820 4.149 1.00 0.00 H new ATOM 0 HA GLU A 58 6.439 11.481 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.438 9.308 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.368 10.849 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.889 10.325 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.239 8.698 6.535 1.00 0.00 H new ATOM 923 N ALA A 59 8.806 11.061 2.982 1.00 0.00 N ATOM 924 CA ALA A 59 9.868 11.713 2.227 1.00 0.00 C ATOM 925 C ALA A 59 9.294 12.592 1.121 1.00 0.00 C ATOM 926 O ALA A 59 10.019 13.042 0.233 1.00 0.00 O ATOM 927 CB ALA A 59 10.814 10.676 1.642 1.00 0.00 C ATOM 0 H ALA A 59 8.457 10.200 2.561 1.00 0.00 H new ATOM 0 HA ALA A 59 10.426 12.352 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.602 11.178 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.258 10.093 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.261 10.013 0.977 1.00 0.00 H new ATOM 933 N TYR A 60 7.988 12.831 1.179 1.00 0.00 N ATOM 934 CA TYR A 60 7.317 13.653 0.179 1.00 0.00 C ATOM 935 C TYR A 60 7.479 13.057 -1.216 1.00 0.00 C ATOM 936 O TYR A 60 7.709 13.775 -2.188 1.00 0.00 O ATOM 937 CB TYR A 60 7.872 15.078 0.204 1.00 0.00 C ATOM 938 CG TYR A 60 7.564 15.827 1.481 1.00 0.00 C ATOM 939 CD1 TYR A 60 8.409 15.741 2.580 1.00 0.00 C ATOM 940 CD2 TYR A 60 6.427 16.618 1.588 1.00 0.00 C ATOM 941 CE1 TYR A 60 8.131 16.423 3.749 1.00 0.00 C ATOM 942 CE2 TYR A 60 6.142 17.303 2.753 1.00 0.00 C ATOM 943 CZ TYR A 60 6.996 17.203 3.831 1.00 0.00 C ATOM 944 OH TYR A 60 6.715 17.883 4.994 1.00 0.00 O ATOM 0 H TYR A 60 7.374 12.467 1.908 1.00 0.00 H new ATOM 0 HA TYR A 60 6.255 13.679 0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.953 15.040 0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.463 15.633 -0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.298 15.131 2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.755 16.699 0.746 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.799 16.346 4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.254 17.914 2.819 1.00 0.00 H new ATOM 0 HH TYR A 60 5.881 18.386 4.886 1.00 0.00 H new ATOM 954 N ARG A 61 7.356 11.737 -1.304 1.00 0.00 N ATOM 955 CA ARG A 61 7.489 11.041 -2.579 1.00 0.00 C ATOM 956 C ARG A 61 6.132 10.885 -3.258 1.00 0.00 C ATOM 957 O ARG A 61 6.035 10.895 -4.485 1.00 0.00 O ATOM 958 CB ARG A 61 8.128 9.667 -2.370 1.00 0.00 C ATOM 959 CG ARG A 61 9.620 9.725 -2.086 1.00 0.00 C ATOM 960 CD ARG A 61 10.332 8.478 -2.584 1.00 0.00 C ATOM 961 NE ARG A 61 11.773 8.679 -2.697 1.00 0.00 N ATOM 962 CZ ARG A 61 12.603 8.657 -1.659 1.00 0.00 C ATOM 963 NH1 ARG A 61 12.134 8.443 -0.437 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.903 8.848 -1.842 1.00 0.00 N ATOM 0 H ARG A 61 7.165 11.128 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 61 8.132 11.639 -3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.628 9.166 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.959 9.059 -3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.048 10.605 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.783 9.834 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.134 7.651 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.928 8.194 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 61 12.165 8.846 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.135 8.295 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.772 8.426 0.359 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.267 9.012 -2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.538 8.831 -1.044 1.00 0.00 H new ATOM 978 N TYR A 62 5.086 10.739 -2.451 1.00 0.00 N ATOM 979 CA TYR A 62 3.734 10.578 -2.972 1.00 0.00 C ATOM 980 C TYR A 62 2.963 11.892 -2.904 1.00 0.00 C ATOM 981 O TYR A 62 2.497 12.296 -1.837 1.00 0.00 O ATOM 982 CB TYR A 62 2.989 9.494 -2.192 1.00 0.00 C ATOM 983 CG TYR A 62 3.708 8.164 -2.165 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.183 7.586 -3.336 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.913 7.487 -0.970 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.840 6.371 -3.317 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.570 6.272 -0.941 1.00 0.00 C ATOM 988 CZ TYR A 62 5.031 5.718 -2.117 1.00 0.00 C ATOM 989 OH TYR A 62 5.686 4.507 -2.093 1.00 0.00 O ATOM 0 H TYR A 62 5.149 10.729 -1.433 1.00 0.00 H new ATOM 0 HA TYR A 62 3.809 10.276 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.836 9.835 -1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.002 9.355 -2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.036 8.095 -4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.553 7.918 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.202 5.935 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.722 5.759 -0.003 1.00 0.00 H new ATOM 0 HH TYR A 62 6.334 4.471 -2.827 1.00 0.00 H new ATOM 999 N LEU A 63 2.832 12.555 -4.047 1.00 0.00 N ATOM 1000 CA LEU A 63 2.116 13.824 -4.118 1.00 0.00 C ATOM 1001 C LEU A 63 0.694 13.620 -4.632 1.00 0.00 C ATOM 1002 O LEU A 63 -0.208 14.396 -4.318 1.00 0.00 O ATOM 1003 CB LEU A 63 2.862 14.803 -5.027 1.00 0.00 C ATOM 1004 CG LEU A 63 4.300 15.131 -4.621 1.00 0.00 C ATOM 1005 CD1 LEU A 63 5.140 15.450 -5.849 1.00 0.00 C ATOM 1006 CD2 LEU A 63 4.326 16.292 -3.638 1.00 0.00 C ATOM 0 H LEU A 63 3.212 12.235 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 63 2.063 14.239 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.875 14.393 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.296 15.733 -5.068 1.00 0.00 H new ATOM 0 HG LEU A 63 4.727 14.257 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.160 15.681 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.148 14.589 -6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.714 16.309 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.357 16.511 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.881 17.172 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.759 16.026 -2.746 1.00 0.00 H new ATOM 1018 N ASN A 64 0.501 12.569 -5.422 1.00 0.00 N ATOM 1019 CA ASN A 64 -0.811 12.260 -5.979 1.00 0.00 C ATOM 1020 C ASN A 64 -1.308 10.906 -5.482 1.00 0.00 C ATOM 1021 O ASN A 64 -0.522 9.981 -5.279 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.754 12.267 -7.508 1.00 0.00 C ATOM 1023 CG ASN A 64 0.569 11.751 -8.039 1.00 0.00 C ATOM 1024 OD1 ASN A 64 0.858 10.556 -7.961 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.379 12.651 -8.584 1.00 0.00 N ATOM 0 H ASN A 64 1.237 11.916 -5.691 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.510 13.027 -5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.565 11.654 -7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.917 13.282 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.282 12.363 -8.960 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.098 13.631 -8.627 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.618 10.797 -5.289 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.221 9.556 -4.816 1.00 0.00 C ATOM 1034 C PHE A 65 -2.798 8.379 -5.689 1.00 0.00 C ATOM 1035 O PHE A 65 -2.292 7.373 -5.193 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.746 9.677 -4.806 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.424 8.628 -3.971 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.378 8.686 -2.588 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.109 7.583 -4.572 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.001 7.722 -1.818 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.734 6.616 -3.807 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.681 6.686 -2.429 1.00 0.00 C ATOM 0 H PHE A 65 -3.283 11.553 -5.453 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.871 9.375 -3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.022 10.663 -4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.115 9.610 -5.830 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.849 9.494 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.155 7.524 -5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.956 7.778 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.263 5.806 -4.287 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.170 5.932 -1.830 1.00 0.00 H new ATOM 1052 N ASP A 66 -3.011 8.513 -6.994 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.653 7.461 -7.938 1.00 0.00 C ATOM 1054 C ASP A 66 -1.333 6.804 -7.545 1.00 0.00 C ATOM 1055 O ASP A 66 -1.156 5.596 -7.709 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.551 8.030 -9.354 1.00 0.00 C ATOM 1057 CG ASP A 66 -1.174 8.589 -9.657 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -0.237 7.785 -9.847 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -1.034 9.828 -9.706 1.00 0.00 O ATOM 0 H ASP A 66 -3.429 9.339 -7.421 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.437 6.704 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.789 7.247 -10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.295 8.817 -9.481 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.409 7.608 -7.029 1.00 0.00 N ATOM 1065 CA ASP A 67 0.895 7.105 -6.613 1.00 0.00 C ATOM 1066 C ASP A 67 0.782 6.309 -5.315 1.00 0.00 C ATOM 1067 O ASP A 67 1.191 5.150 -5.248 1.00 0.00 O ATOM 1068 CB ASP A 67 1.877 8.263 -6.431 1.00 0.00 C ATOM 1069 CG ASP A 67 2.630 8.589 -7.706 1.00 0.00 C ATOM 1070 OD1 ASP A 67 2.134 8.231 -8.795 1.00 0.00 O ATOM 1071 OD2 ASP A 67 3.715 9.200 -7.615 1.00 0.00 O ATOM 0 H ASP A 67 -0.539 8.610 -6.889 1.00 0.00 H new ATOM 0 HA ASP A 67 1.267 6.442 -7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.334 9.147 -6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.590 8.011 -5.646 1.00 0.00 H new ATOM 1076 N PHE A 68 0.224 6.941 -4.287 1.00 0.00 N ATOM 1077 CA PHE A 68 0.060 6.292 -2.991 1.00 0.00 C ATOM 1078 C PHE A 68 -0.664 4.958 -3.138 1.00 0.00 C ATOM 1079 O PHE A 68 -0.422 4.020 -2.378 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.715 7.203 -2.037 1.00 0.00 C ATOM 1081 CG PHE A 68 -0.964 6.587 -0.690 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.004 6.656 0.307 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.159 5.938 -0.420 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.230 6.090 1.547 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.391 5.371 0.818 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.426 5.446 1.804 1.00 0.00 C ATOM 0 H PHE A 68 -0.122 7.900 -4.326 1.00 0.00 H new ATOM 0 HA PHE A 68 1.051 6.103 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.162 8.133 -1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.671 7.462 -2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.932 7.158 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.917 5.875 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.527 6.151 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.327 4.869 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.605 5.003 2.772 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.556 4.880 -4.123 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.317 3.660 -4.369 1.00 0.00 C ATOM 1098 C GLU A 69 -1.475 2.639 -5.128 1.00 0.00 C ATOM 1099 O GLU A 69 -1.482 1.452 -4.803 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.589 3.977 -5.157 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.422 2.751 -5.486 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.880 3.086 -5.737 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.157 3.862 -6.676 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -6.743 2.573 -4.995 1.00 0.00 O ATOM 0 H GLU A 69 -1.768 5.646 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.593 3.233 -3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.197 4.676 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.316 4.480 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.009 2.261 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.353 2.038 -4.664 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.754 3.110 -6.140 1.00 0.00 N ATOM 1112 CA GLU A 70 0.091 2.236 -6.946 1.00 0.00 C ATOM 1113 C GLU A 70 0.922 1.314 -6.060 1.00 0.00 C ATOM 1114 O GLU A 70 1.056 0.122 -6.338 1.00 0.00 O ATOM 1115 CB GLU A 70 1.012 3.067 -7.843 1.00 0.00 C ATOM 1116 CG GLU A 70 1.568 2.294 -9.027 1.00 0.00 C ATOM 1117 CD GLU A 70 0.500 1.926 -10.037 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -0.288 0.998 -9.759 1.00 0.00 O ATOM 1119 OE2 GLU A 70 0.451 2.568 -11.108 1.00 0.00 O ATOM 0 H GLU A 70 -0.738 4.090 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.557 1.622 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.462 3.933 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.841 3.446 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.336 2.892 -9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.052 1.386 -8.668 1.00 0.00 H new ATOM 1126 N ASP A 71 1.480 1.873 -4.992 1.00 0.00 N ATOM 1127 CA ASP A 71 2.298 1.102 -4.063 1.00 0.00 C ATOM 1128 C ASP A 71 1.484 -0.020 -3.425 1.00 0.00 C ATOM 1129 O ASP A 71 1.812 -1.198 -3.570 1.00 0.00 O ATOM 1130 CB ASP A 71 2.873 2.013 -2.978 1.00 0.00 C ATOM 1131 CG ASP A 71 3.327 3.352 -3.526 1.00 0.00 C ATOM 1132 OD1 ASP A 71 4.184 3.359 -4.435 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.828 4.391 -3.047 1.00 0.00 O ATOM 0 H ASP A 71 1.381 2.858 -4.748 1.00 0.00 H new ATOM 0 HA ASP A 71 3.120 0.657 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.119 2.176 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.716 1.515 -2.499 1.00 0.00 H new ATOM 1138 N PHE A 72 0.423 0.354 -2.718 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.436 -0.620 -2.055 1.00 0.00 C ATOM 1140 C PHE A 72 -0.723 -1.804 -2.972 1.00 0.00 C ATOM 1141 O PHE A 72 -0.702 -2.957 -2.541 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.749 0.037 -1.624 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.807 -0.949 -1.218 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.628 -1.535 -2.169 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.980 -1.290 0.113 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.602 -2.442 -1.797 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.953 -2.197 0.491 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.765 -2.774 -0.467 1.00 0.00 C ATOM 0 H PHE A 72 0.137 1.325 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 72 0.086 -0.986 -1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.552 0.711 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.127 0.647 -2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.505 -1.280 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.347 -0.842 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.236 -2.891 -2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.078 -2.454 1.533 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.526 -3.483 -0.176 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.992 -1.512 -4.241 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.284 -2.552 -5.220 1.00 0.00 C ATOM 1160 C ASN A 73 -0.147 -3.567 -5.291 1.00 0.00 C ATOM 1161 O ASN A 73 -0.379 -4.777 -5.286 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.518 -1.933 -6.600 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.863 -1.242 -6.702 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.850 -1.691 -6.119 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.909 -0.144 -7.448 1.00 0.00 N ATOM 0 H ASN A 73 -1.014 -0.563 -4.615 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.190 -3.069 -4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.726 -1.214 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.454 -2.712 -7.360 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.787 0.363 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.066 0.192 -7.913 1.00 0.00 H new ATOM 1172 N LEU A 74 1.081 -3.067 -5.358 1.00 0.00 N ATOM 1173 CA LEU A 74 2.255 -3.930 -5.430 1.00 0.00 C ATOM 1174 C LEU A 74 2.242 -4.962 -4.308 1.00 0.00 C ATOM 1175 O LEU A 74 2.264 -6.168 -4.559 1.00 0.00 O ATOM 1176 CB LEU A 74 3.533 -3.092 -5.353 1.00 0.00 C ATOM 1177 CG LEU A 74 3.957 -2.393 -6.646 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.079 -1.403 -6.375 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.385 -3.415 -7.689 1.00 0.00 C ATOM 0 H LEU A 74 1.290 -2.069 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 74 2.230 -4.457 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.401 -2.334 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.348 -3.739 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 74 3.101 -1.842 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.367 -0.916 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.737 -0.652 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.938 -1.931 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.683 -2.900 -8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.226 -3.994 -7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.552 -4.084 -7.905 1.00 0.00 H new ATOM 1191 N ILE A 75 2.205 -4.482 -3.069 1.00 0.00 N ATOM 1192 CA ILE A 75 2.186 -5.364 -1.909 1.00 0.00 C ATOM 1193 C ILE A 75 1.375 -6.624 -2.190 1.00 0.00 C ATOM 1194 O ILE A 75 1.824 -7.738 -1.917 1.00 0.00 O ATOM 1195 CB ILE A 75 1.599 -4.655 -0.674 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.452 -3.441 -0.302 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.506 -5.623 0.497 1.00 0.00 C ATOM 1198 CD1 ILE A 75 1.985 -2.734 0.951 1.00 0.00 C ATOM 0 H ILE A 75 2.188 -3.487 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 75 3.221 -5.639 -1.704 1.00 0.00 H new ATOM 0 HB ILE A 75 0.594 -4.309 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.485 -3.761 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.445 -2.734 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.089 -5.108 1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.861 -6.459 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.501 -5.996 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.636 -1.884 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.963 -2.383 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.019 -3.425 1.793 1.00 0.00 H new ATOM 1210 N VAL A 76 0.178 -6.442 -2.739 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.695 -7.565 -3.060 1.00 0.00 C ATOM 1212 C VAL A 76 -0.163 -8.351 -4.254 1.00 0.00 C ATOM 1213 O VAL A 76 -0.058 -9.577 -4.206 1.00 0.00 O ATOM 1214 CB VAL A 76 -2.127 -7.091 -3.370 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -3.038 -8.281 -3.634 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.665 -6.241 -2.228 1.00 0.00 C ATOM 0 H VAL A 76 -0.209 -5.527 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.715 -8.211 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.101 -6.477 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.046 -7.927 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.661 -8.846 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.061 -8.924 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.678 -5.914 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.678 -6.830 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.025 -5.369 -2.091 1.00 0.00 H new ATOM 1226 N SER A 77 0.174 -7.636 -5.323 1.00 0.00 N ATOM 1227 CA SER A 77 0.693 -8.267 -6.531 1.00 0.00 C ATOM 1228 C SER A 77 1.987 -9.020 -6.238 1.00 0.00 C ATOM 1229 O SER A 77 2.031 -10.247 -6.299 1.00 0.00 O ATOM 1230 CB SER A 77 0.935 -7.216 -7.616 1.00 0.00 C ATOM 1231 OG SER A 77 1.013 -7.816 -8.898 1.00 0.00 O ATOM 0 H SER A 77 0.097 -6.620 -5.377 1.00 0.00 H new ATOM 0 HA SER A 77 -0.049 -8.982 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.129 -6.482 -7.603 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.859 -6.678 -7.406 1.00 0.00 H new ATOM 0 HG SER A 77 1.166 -7.124 -9.574 1.00 0.00 H new ATOM 1237 N ASN A 78 3.040 -8.273 -5.919 1.00 0.00 N ATOM 1238 CA ASN A 78 4.336 -8.868 -5.617 1.00 0.00 C ATOM 1239 C ASN A 78 4.170 -10.163 -4.827 1.00 0.00 C ATOM 1240 O ASN A 78 4.930 -11.115 -5.008 1.00 0.00 O ATOM 1241 CB ASN A 78 5.201 -7.883 -4.829 1.00 0.00 C ATOM 1242 CG ASN A 78 5.654 -6.707 -5.672 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.944 -6.855 -6.859 1.00 0.00 O ATOM 1244 ND2 ASN A 78 5.716 -5.530 -5.060 1.00 0.00 N ATOM 0 H ASN A 78 3.020 -7.255 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 78 4.830 -9.101 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.638 -7.516 -3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.075 -8.404 -4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.014 -4.702 -5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.466 -5.454 -4.074 1.00 0.00 H new ATOM 1251 N CYS A 79 3.170 -10.190 -3.952 1.00 0.00 N ATOM 1252 CA CYS A 79 2.903 -11.368 -3.134 1.00 0.00 C ATOM 1253 C CYS A 79 2.178 -12.439 -3.942 1.00 0.00 C ATOM 1254 O CYS A 79 2.470 -13.629 -3.818 1.00 0.00 O ATOM 1255 CB CYS A 79 2.070 -10.985 -1.909 1.00 0.00 C ATOM 1256 SG CYS A 79 2.318 -12.064 -0.480 1.00 0.00 S ATOM 0 H CYS A 79 2.532 -9.411 -3.791 1.00 0.00 H new ATOM 0 HA CYS A 79 3.859 -11.774 -2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.312 -9.961 -1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.015 -10.999 -2.182 1.00 0.00 H new ATOM 0 HG CYS A 79 1.164 -12.391 0.023 1.00 0.00 H new ATOM 1262 N LEU A 80 1.232 -12.010 -4.769 1.00 0.00 N ATOM 1263 CA LEU A 80 0.463 -12.932 -5.598 1.00 0.00 C ATOM 1264 C LEU A 80 1.319 -13.486 -6.732 1.00 0.00 C ATOM 1265 O LEU A 80 0.932 -14.440 -7.408 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.769 -12.230 -6.169 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.853 -11.848 -5.159 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.873 -10.920 -5.797 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.532 -13.094 -4.610 1.00 0.00 C ATOM 0 H LEU A 80 0.978 -11.029 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 80 0.140 -13.763 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.442 -11.325 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.215 -12.879 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.381 -11.320 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.636 -10.659 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.375 -10.013 -6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.341 -11.421 -6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.300 -12.804 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.990 -13.649 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.792 -13.723 -4.115 1.00 0.00 H new ATOM 1281 N LYS A 81 2.486 -12.883 -6.936 1.00 0.00 N ATOM 1282 CA LYS A 81 3.398 -13.317 -7.987 1.00 0.00 C ATOM 1283 C LYS A 81 4.520 -14.175 -7.412 1.00 0.00 C ATOM 1284 O LYS A 81 4.910 -15.181 -8.004 1.00 0.00 O ATOM 1285 CB LYS A 81 3.990 -12.104 -8.710 1.00 0.00 C ATOM 1286 CG LYS A 81 5.379 -12.348 -9.271 1.00 0.00 C ATOM 1287 CD LYS A 81 5.811 -11.226 -10.200 1.00 0.00 C ATOM 1288 CE LYS A 81 5.924 -9.902 -9.460 1.00 0.00 C ATOM 1289 NZ LYS A 81 4.620 -9.188 -9.398 1.00 0.00 N ATOM 0 H LYS A 81 2.822 -12.092 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 81 2.832 -13.917 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.324 -11.816 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.030 -11.263 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.092 -12.438 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.393 -13.295 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.772 -11.475 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.092 -11.129 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.288 -10.081 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.661 -9.270 -9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.770 -8.175 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.977 -9.576 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.200 -9.313 -8.455 1.00 0.00 H new ATOM 1303 N TYR A 82 5.033 -13.772 -6.255 1.00 0.00 N ATOM 1304 CA TYR A 82 6.111 -14.504 -5.601 1.00 0.00 C ATOM 1305 C TYR A 82 5.593 -15.799 -4.982 1.00 0.00 C ATOM 1306 O TYR A 82 6.242 -16.841 -5.062 1.00 0.00 O ATOM 1307 CB TYR A 82 6.765 -13.637 -4.524 1.00 0.00 C ATOM 1308 CG TYR A 82 8.209 -13.993 -4.254 1.00 0.00 C ATOM 1309 CD1 TYR A 82 9.134 -14.063 -5.288 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.651 -14.258 -2.962 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.454 -14.389 -5.046 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.969 -14.583 -2.711 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.867 -14.647 -3.756 1.00 0.00 C ATOM 1314 OH TYR A 82 12.182 -14.971 -3.510 1.00 0.00 O ATOM 0 H TYR A 82 4.720 -12.943 -5.751 1.00 0.00 H new ATOM 0 HA TYR A 82 6.855 -14.756 -6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.708 -12.592 -4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.197 -13.732 -3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.815 -13.859 -6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.951 -14.209 -2.141 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.159 -14.442 -5.863 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.295 -14.786 -1.702 1.00 0.00 H new ATOM 0 HH TYR A 82 12.754 -14.550 -4.185 1.00 0.00 H new ATOM 1324 N ASN A 83 4.418 -15.724 -4.366 1.00 0.00 N ATOM 1325 CA ASN A 83 3.811 -16.889 -3.734 1.00 0.00 C ATOM 1326 C ASN A 83 2.847 -17.587 -4.689 1.00 0.00 C ATOM 1327 O ASN A 83 2.740 -17.217 -5.858 1.00 0.00 O ATOM 1328 CB ASN A 83 3.072 -16.477 -2.458 1.00 0.00 C ATOM 1329 CG ASN A 83 4.021 -16.089 -1.341 1.00 0.00 C ATOM 1330 OD1 ASN A 83 4.816 -16.906 -0.874 1.00 0.00 O ATOM 1331 ND2 ASN A 83 3.943 -14.837 -0.907 1.00 0.00 N ATOM 0 H ASN A 83 3.867 -14.869 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 83 4.608 -17.586 -3.476 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.412 -15.638 -2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.440 -17.301 -2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.557 -14.518 -0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.269 -14.194 -1.323 1.00 0.00 H new ATOM 1338 N ALA A 84 2.148 -18.598 -4.183 1.00 0.00 N ATOM 1339 CA ALA A 84 1.191 -19.345 -4.990 1.00 0.00 C ATOM 1340 C ALA A 84 -0.205 -19.284 -4.381 1.00 0.00 C ATOM 1341 O ALA A 84 -0.434 -18.587 -3.392 1.00 0.00 O ATOM 1342 CB ALA A 84 1.643 -20.790 -5.137 1.00 0.00 C ATOM 0 H ALA A 84 2.227 -18.918 -3.218 1.00 0.00 H new ATOM 0 HA ALA A 84 1.147 -18.887 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.920 -21.338 -5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.618 -20.819 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.715 -21.251 -4.152 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.138 -20.018 -4.980 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.514 -20.049 -4.497 1.00 0.00 C ATOM 1350 C LYS A 85 -2.629 -20.899 -3.236 1.00 0.00 C ATOM 1351 O LYS A 85 -3.581 -20.760 -2.468 1.00 0.00 O ATOM 1352 CB LYS A 85 -3.445 -20.596 -5.582 1.00 0.00 C ATOM 1353 CG LYS A 85 -3.334 -19.861 -6.906 1.00 0.00 C ATOM 1354 CD LYS A 85 -4.323 -18.711 -6.988 1.00 0.00 C ATOM 1355 CE LYS A 85 -3.938 -17.722 -8.079 1.00 0.00 C ATOM 1356 NZ LYS A 85 -4.520 -18.094 -9.397 1.00 0.00 N ATOM 0 H LYS A 85 -0.966 -20.599 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.811 -19.029 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.222 -21.651 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.475 -20.538 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.320 -19.480 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.514 -20.556 -7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.321 -19.102 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.366 -18.197 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.278 -16.724 -7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.852 -17.677 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.234 -17.395 -10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.176 -19.035 -9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.557 -18.112 -9.326 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.655 -21.778 -3.029 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.646 -22.649 -1.860 1.00 0.00 C ATOM 1372 C ASP A 86 -0.654 -22.147 -0.816 1.00 0.00 C ATOM 1373 O ASP A 86 0.127 -22.922 -0.262 1.00 0.00 O ATOM 1374 CB ASP A 86 -1.297 -24.081 -2.267 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.148 -24.138 -3.255 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -0.288 -23.574 -4.360 1.00 0.00 O ATOM 1377 OD2 ASP A 86 0.890 -24.748 -2.923 1.00 0.00 O ATOM 0 H ASP A 86 -0.861 -21.906 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.644 -22.638 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.037 -24.655 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.175 -24.555 -2.707 1.00 0.00 H new ATOM 1382 N THR A 87 -0.687 -20.845 -0.552 1.00 0.00 N ATOM 1383 CA THR A 87 0.210 -20.239 0.424 1.00 0.00 C ATOM 1384 C THR A 87 -0.536 -19.264 1.327 1.00 0.00 C ATOM 1385 O THR A 87 -1.656 -18.852 1.020 1.00 0.00 O ATOM 1386 CB THR A 87 1.370 -19.496 -0.266 1.00 0.00 C ATOM 1387 OG1 THR A 87 0.861 -18.645 -1.299 1.00 0.00 O ATOM 1388 CG2 THR A 87 2.366 -20.481 -0.858 1.00 0.00 C ATOM 0 H THR A 87 -1.326 -20.189 -1.001 1.00 0.00 H new ATOM 0 HA THR A 87 0.615 -21.051 1.028 1.00 0.00 H new ATOM 0 HB THR A 87 1.882 -18.891 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.355 -19.181 -1.945 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.176 -19.934 -1.340 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.773 -21.108 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.864 -21.108 -1.594 1.00 0.00 H new ATOM 1396 N ILE A 88 0.089 -18.898 2.440 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.516 -17.970 3.386 1.00 0.00 C ATOM 1398 C ILE A 88 -0.437 -16.535 2.877 1.00 0.00 C ATOM 1399 O ILE A 88 -1.456 -15.915 2.574 1.00 0.00 O ATOM 1400 CB ILE A 88 0.163 -18.050 4.767 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.382 -19.242 5.559 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.048 -16.755 5.538 1.00 0.00 C ATOM 1403 CD1 ILE A 88 0.169 -19.336 6.964 1.00 0.00 C ATOM 0 H ILE A 88 1.015 -19.230 2.709 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.562 -18.261 3.486 1.00 0.00 H new ATOM 0 HB ILE A 88 1.234 -18.193 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.468 -19.169 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.148 -20.162 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.438 -16.828 6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.382 -15.924 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.116 -16.584 5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.260 -20.203 7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.253 -19.440 6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.088 -18.433 7.517 1.00 0.00 H new ATOM 1415 N PHE A 89 0.782 -16.013 2.784 1.00 0.00 N ATOM 1416 CA PHE A 89 0.995 -14.650 2.309 1.00 0.00 C ATOM 1417 C PHE A 89 0.036 -14.314 1.172 1.00 0.00 C ATOM 1418 O PHE A 89 -0.297 -13.149 0.949 1.00 0.00 O ATOM 1419 CB PHE A 89 2.441 -14.472 1.840 1.00 0.00 C ATOM 1420 CG PHE A 89 3.448 -15.131 2.739 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.417 -14.922 4.108 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.426 -15.961 2.215 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.343 -15.527 4.937 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.354 -16.569 3.039 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.312 -16.352 4.402 1.00 0.00 C ATOM 0 H PHE A 89 1.636 -16.512 3.031 1.00 0.00 H new ATOM 0 HA PHE A 89 0.801 -13.969 3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.541 -14.880 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.665 -13.407 1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.660 -14.279 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.464 -16.135 1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.308 -15.354 6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.111 -17.213 2.617 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.036 -16.827 5.048 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.405 -15.341 0.454 1.00 0.00 N ATOM 1436 CA TYR A 90 -1.325 -15.156 -0.662 1.00 0.00 C ATOM 1437 C TYR A 90 -2.723 -14.803 -0.163 1.00 0.00 C ATOM 1438 O TYR A 90 -3.290 -13.779 -0.545 1.00 0.00 O ATOM 1439 CB TYR A 90 -1.382 -16.420 -1.520 1.00 0.00 C ATOM 1440 CG TYR A 90 -2.370 -16.335 -2.661 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -3.735 -16.242 -2.417 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -1.940 -16.347 -3.982 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -4.642 -16.165 -3.456 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -2.840 -16.269 -5.027 1.00 0.00 C ATOM 1445 CZ TYR A 90 -4.189 -16.179 -4.759 1.00 0.00 C ATOM 1446 OH TYR A 90 -5.090 -16.100 -5.797 1.00 0.00 O ATOM 0 H TYR A 90 -0.140 -16.311 0.625 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.956 -14.330 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.390 -16.619 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.644 -17.267 -0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.093 -16.230 -1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.884 -16.419 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.700 -16.094 -3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.489 -16.278 -6.048 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.809 -16.750 -5.656 1.00 0.00 H new ATOM 1456 N ARG A 91 -3.273 -15.659 0.692 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.604 -15.440 1.243 1.00 0.00 C ATOM 1458 C ARG A 91 -4.662 -14.127 2.020 1.00 0.00 C ATOM 1459 O ARG A 91 -5.670 -13.422 1.992 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.999 -16.602 2.155 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.916 -17.961 1.480 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.718 -19.076 2.496 1.00 0.00 C ATOM 1463 NE ARG A 91 -4.377 -20.344 1.857 1.00 0.00 N ATOM 1464 CZ ARG A 91 -3.871 -21.384 2.511 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -3.650 -21.307 3.816 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -3.587 -22.505 1.859 1.00 0.00 N ATOM 0 H ARG A 91 -2.817 -16.511 1.018 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.308 -15.383 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.351 -16.601 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.017 -16.444 2.511 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.828 -18.143 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.091 -17.965 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.927 -18.796 3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.629 -19.199 3.082 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.536 -20.436 0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.869 -20.448 4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.261 -22.107 4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.757 -22.568 0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.199 -23.303 2.362 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.573 -13.807 2.712 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.500 -12.580 3.494 1.00 0.00 C ATOM 1482 C ALA A 92 -3.556 -11.350 2.594 1.00 0.00 C ATOM 1483 O ALA A 92 -4.167 -10.340 2.944 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.230 -12.564 4.333 1.00 0.00 C ATOM 0 H ALA A 92 -2.730 -14.380 2.747 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.363 -12.551 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.188 -11.642 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.231 -13.418 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.361 -12.621 3.678 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.914 -11.442 1.434 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.893 -10.337 0.483 1.00 0.00 C ATOM 1492 C ALA A 93 -4.238 -10.193 -0.221 1.00 0.00 C ATOM 1493 O ALA A 93 -4.698 -9.081 -0.481 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.781 -10.539 -0.535 1.00 0.00 C ATOM 0 H ALA A 93 -2.402 -12.270 1.130 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.702 -9.417 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.777 -9.707 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.821 -10.584 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.947 -11.471 -1.076 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.865 -11.324 -0.529 1.00 0.00 N ATOM 1501 CA VAL A 94 -6.158 -11.324 -1.202 1.00 0.00 C ATOM 1502 C VAL A 94 -7.175 -10.484 -0.439 1.00 0.00 C ATOM 1503 O VAL A 94 -7.855 -9.637 -1.018 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.707 -12.755 -1.363 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -8.209 -12.725 -1.604 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.991 -13.476 -2.495 1.00 0.00 C ATOM 0 H VAL A 94 -4.498 -12.253 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.001 -10.890 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.522 -13.304 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.580 -13.744 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.704 -12.249 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.421 -12.160 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.391 -14.485 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.143 -12.932 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.925 -13.529 -2.276 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.273 -10.723 0.864 1.00 0.00 N ATOM 1517 CA ARG A 95 -8.208 -9.988 1.708 1.00 0.00 C ATOM 1518 C ARG A 95 -7.902 -8.494 1.686 1.00 0.00 C ATOM 1519 O ARG A 95 -8.811 -7.663 1.637 1.00 0.00 O ATOM 1520 CB ARG A 95 -8.151 -10.510 3.145 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.911 -9.646 4.138 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.461 -10.472 5.289 1.00 0.00 C ATOM 1523 NE ARG A 95 -10.806 -10.971 5.011 1.00 0.00 N ATOM 1524 CZ ARG A 95 -11.533 -11.650 5.891 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -11.050 -11.910 7.098 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -12.749 -12.071 5.564 1.00 0.00 N ATOM 0 H ARG A 95 -6.716 -11.420 1.359 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.212 -10.141 1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.557 -11.521 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.109 -10.576 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.251 -8.871 4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.731 -9.139 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.795 -11.313 5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.479 -9.865 6.194 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.208 -10.788 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.117 -11.588 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.612 -12.432 7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.125 -11.873 4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.307 -12.592 6.240 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.618 -8.158 1.722 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.190 -6.764 1.707 1.00 0.00 C ATOM 1542 C LEU A 96 -6.713 -6.048 0.465 1.00 0.00 C ATOM 1543 O LEU A 96 -7.212 -4.925 0.548 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.663 -6.677 1.754 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.028 -6.775 3.142 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.519 -6.924 3.028 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.384 -5.554 3.979 1.00 0.00 C ATOM 0 H LEU A 96 -5.854 -8.833 1.762 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.603 -6.274 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.254 -7.474 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.359 -5.733 1.303 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.424 -7.660 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.084 -6.992 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.284 -7.828 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.106 -6.058 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.924 -5.641 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.017 -4.654 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.467 -5.491 4.089 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.597 -6.705 -0.684 1.00 0.00 N ATOM 1560 CA ARG A 97 -7.059 -6.132 -1.942 1.00 0.00 C ATOM 1561 C ARG A 97 -8.576 -5.971 -1.941 1.00 0.00 C ATOM 1562 O ARG A 97 -9.104 -4.975 -2.435 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.629 -7.012 -3.116 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.876 -6.379 -4.476 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.410 -7.284 -5.606 1.00 0.00 C ATOM 1566 NE ARG A 97 -6.788 -6.761 -6.917 1.00 0.00 N ATOM 1567 CZ ARG A 97 -8.040 -6.719 -7.357 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -9.030 -7.165 -6.597 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -8.303 -6.229 -8.562 1.00 0.00 N ATOM 0 H ARG A 97 -6.187 -7.635 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.607 -5.146 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.568 -7.240 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.165 -7.960 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.939 -6.168 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.353 -5.424 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.327 -7.395 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.838 -8.278 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.050 -6.409 -7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.831 -7.542 -5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.990 -7.131 -6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.544 -5.885 -9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.265 -6.196 -8.901 1.00 0.00 H new ATOM 1583 N GLU A 98 -9.271 -6.958 -1.384 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.727 -6.926 -1.321 1.00 0.00 C ATOM 1585 C GLU A 98 -11.206 -5.834 -0.369 1.00 0.00 C ATOM 1586 O GLU A 98 -11.867 -4.882 -0.782 1.00 0.00 O ATOM 1587 CB GLU A 98 -11.270 -8.284 -0.874 1.00 0.00 C ATOM 1588 CG GLU A 98 -11.213 -9.349 -1.955 1.00 0.00 C ATOM 1589 CD GLU A 98 -12.181 -9.079 -3.091 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -13.369 -8.814 -2.809 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.751 -9.135 -4.261 1.00 0.00 O ATOM 0 H GLU A 98 -8.849 -7.789 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.104 -6.704 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.702 -8.626 -0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.303 -8.163 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.199 -9.405 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.437 -10.321 -1.515 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.868 -5.981 0.908 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.264 -5.009 1.920 1.00 0.00 C ATOM 1600 C GLN A 99 -10.584 -3.665 1.680 1.00 0.00 C ATOM 1601 O GLN A 99 -11.239 -2.624 1.649 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.919 -5.526 3.317 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.556 -6.867 3.645 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.577 -7.156 5.133 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.424 -6.251 5.954 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.767 -8.421 5.488 1.00 0.00 N ATOM 0 H GLN A 99 -10.321 -6.764 1.266 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.342 -4.868 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.836 -5.617 3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.238 -4.791 4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.576 -6.884 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.010 -7.659 3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.889 -9.138 4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.791 -8.676 6.475 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.266 -3.696 1.509 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.519 -2.475 1.274 1.00 0.00 C ATOM 1617 C GLY A 100 -9.258 -1.509 0.368 1.00 0.00 C ATOM 1618 O GLY A 100 -9.291 -0.306 0.627 1.00 0.00 O ATOM 0 H GLY A 100 -8.702 -4.546 1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.313 -1.989 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.556 -2.722 0.828 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.850 -2.036 -0.700 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.581 -1.198 -1.632 1.00 0.00 C ATOM 1624 C GLY A 101 -11.452 -0.175 -0.931 1.00 0.00 C ATOM 1625 O GLY A 101 -11.527 0.979 -1.352 1.00 0.00 O ATOM 0 H GLY A 101 -9.836 -3.028 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.875 -0.684 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.204 -1.826 -2.269 1.00 0.00 H new ATOM 1629 N ALA A 102 -12.113 -0.597 0.141 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.983 0.291 0.901 1.00 0.00 C ATOM 1631 C ALA A 102 -12.190 1.432 1.529 1.00 0.00 C ATOM 1632 O ALA A 102 -12.625 2.584 1.518 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.727 -0.490 1.975 1.00 0.00 C ATOM 0 H ALA A 102 -12.063 -1.549 0.503 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.709 0.723 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.373 0.186 2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.333 -1.266 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.009 -0.950 2.654 1.00 0.00 H new ATOM 1639 N VAL A 103 -11.023 1.105 2.076 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.169 2.102 2.708 1.00 0.00 C ATOM 1641 C VAL A 103 -9.620 3.086 1.680 1.00 0.00 C ATOM 1642 O VAL A 103 -9.558 4.290 1.930 1.00 0.00 O ATOM 1643 CB VAL A 103 -8.991 1.443 3.451 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.059 2.501 4.020 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.502 0.524 4.549 1.00 0.00 C ATOM 0 H VAL A 103 -10.648 0.157 2.094 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.788 2.639 3.427 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.426 0.841 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.233 2.016 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.666 3.114 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.608 3.132 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.657 0.067 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.092 1.101 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.125 -0.256 4.110 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.223 2.565 0.524 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.680 3.398 -0.544 1.00 0.00 C ATOM 1657 C LEU A 104 -9.783 4.206 -1.219 1.00 0.00 C ATOM 1658 O LEU A 104 -9.570 5.350 -1.623 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.962 2.530 -1.578 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.597 1.980 -1.162 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -6.046 1.052 -2.235 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.625 3.118 -0.887 1.00 0.00 C ATOM 0 H LEU A 104 -9.267 1.570 0.302 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.966 4.093 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.609 1.689 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.833 3.116 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.722 1.406 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.074 0.670 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.733 0.219 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.936 1.602 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.659 2.708 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.504 3.719 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.014 3.743 -0.083 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.963 3.606 -1.335 1.00 0.00 N ATOM 1675 CA ARG A 105 -12.101 4.271 -1.960 1.00 0.00 C ATOM 1676 C ARG A 105 -12.616 5.407 -1.082 1.00 0.00 C ATOM 1677 O ARG A 105 -12.867 6.511 -1.563 1.00 0.00 O ATOM 1678 CB ARG A 105 -13.224 3.266 -2.224 1.00 0.00 C ATOM 1679 CG ARG A 105 -13.120 2.578 -3.576 1.00 0.00 C ATOM 1680 CD ARG A 105 -14.490 2.203 -4.117 1.00 0.00 C ATOM 1681 NE ARG A 105 -14.399 1.280 -5.245 1.00 0.00 N ATOM 1682 CZ ARG A 105 -14.007 0.016 -5.131 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -13.671 -0.473 -3.944 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -13.950 -0.762 -6.204 1.00 0.00 N ATOM 0 H ARG A 105 -11.156 2.661 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.768 4.691 -2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.215 2.510 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.183 3.780 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.616 3.237 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.507 1.682 -3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -15.081 1.747 -3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -15.016 3.105 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.650 1.625 -6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.713 0.122 -3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.370 -1.444 -3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.207 -0.390 -7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.649 -1.732 -6.115 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.773 5.126 0.208 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.259 6.124 1.153 1.00 0.00 C ATOM 1700 C GLN A 106 -12.299 7.306 1.240 1.00 0.00 C ATOM 1701 O GLN A 106 -12.714 8.438 1.484 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.446 5.500 2.537 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.140 5.269 3.280 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.352 4.930 4.742 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -12.711 3.803 5.084 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.133 5.907 5.615 1.00 0.00 N ATOM 0 H GLN A 106 -12.571 4.216 0.622 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.222 6.488 0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.086 6.149 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.967 4.549 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.591 4.459 2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.521 6.163 3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.836 6.826 5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.261 5.738 6.613 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.014 7.034 1.039 1.00 0.00 N ATOM 1716 CA ALA A 107 -9.995 8.074 1.093 1.00 0.00 C ATOM 1717 C ALA A 107 -9.849 8.770 -0.256 1.00 0.00 C ATOM 1718 O ALA A 107 -9.459 9.936 -0.324 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.663 7.486 1.533 1.00 0.00 C ATOM 0 H ALA A 107 -10.654 6.101 0.837 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.310 8.819 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.911 8.274 1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.770 7.042 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.351 6.720 0.823 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.164 8.048 -1.326 1.00 0.00 N ATOM 1726 CA ARG A 108 -10.066 8.596 -2.674 1.00 0.00 C ATOM 1727 C ARG A 108 -10.933 9.843 -2.819 1.00 0.00 C ATOM 1728 O ARG A 108 -10.466 10.887 -3.272 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.484 7.547 -3.706 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.974 7.835 -5.108 1.00 0.00 C ATOM 1731 CD ARG A 108 -10.691 6.987 -6.147 1.00 0.00 C ATOM 1732 NE ARG A 108 -10.292 5.583 -6.077 1.00 0.00 N ATOM 1733 CZ ARG A 108 -11.032 4.586 -6.550 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -12.201 4.835 -7.122 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -10.600 3.334 -6.450 1.00 0.00 N ATOM 0 H ARG A 108 -10.489 7.082 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.027 8.875 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.117 6.571 -3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.572 7.486 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.116 8.891 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.903 7.640 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.768 7.066 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.477 7.376 -7.143 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.398 5.356 -5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.536 5.795 -7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.766 4.067 -7.484 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.701 3.138 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.168 2.568 -6.813 1.00 0.00 H new ATOM 1749 N ARG A 109 -12.199 9.724 -2.431 1.00 0.00 N ATOM 1750 CA ARG A 109 -13.133 10.840 -2.518 1.00 0.00 C ATOM 1751 C ARG A 109 -12.548 12.091 -1.868 1.00 0.00 C ATOM 1752 O ARG A 109 -12.809 13.210 -2.308 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.460 10.477 -1.851 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.412 10.530 -0.333 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.526 9.702 0.290 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.780 10.446 0.370 1.00 0.00 N ATOM 1757 CZ ARG A 109 -16.990 11.442 1.224 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -16.033 11.812 2.064 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -18.159 12.071 1.237 1.00 0.00 N ATOM 0 H ARG A 109 -12.601 8.866 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.311 11.050 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.234 11.158 -2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.751 9.474 -2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.446 10.163 0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.497 11.565 -0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.678 8.797 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.227 9.386 1.289 1.00 0.00 H new ATOM 0 HE ARG A 109 -17.536 10.187 -0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.133 11.332 2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -16.197 12.577 2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.897 11.790 0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -18.320 12.835 1.893 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.759 11.891 -0.818 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.140 13.002 -0.106 1.00 0.00 C ATOM 1775 C GLN A 110 -10.044 13.645 -0.948 1.00 0.00 C ATOM 1776 O GLN A 110 -10.029 14.861 -1.142 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.560 12.523 1.226 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.592 11.893 2.148 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.252 12.073 3.614 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -10.894 11.117 4.302 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.363 13.303 4.101 1.00 0.00 N ATOM 0 H GLN A 110 -11.533 10.970 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 110 -11.910 13.749 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.770 11.798 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.097 13.368 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.569 12.334 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.671 10.829 1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.663 14.066 3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.148 13.485 5.081 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.127 12.822 -1.447 1.00 0.00 N ATOM 1791 CA ALA A 111 -8.029 13.310 -2.271 1.00 0.00 C ATOM 1792 C ALA A 111 -8.550 14.041 -3.504 1.00 0.00 C ATOM 1793 O ALA A 111 -7.800 14.740 -4.184 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.123 12.158 -2.680 1.00 0.00 C ATOM 0 H ALA A 111 -9.123 11.813 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.451 14.019 -1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.307 12.537 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.714 11.682 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.698 11.428 -3.250 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.838 13.873 -3.785 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.456 14.515 -4.938 1.00 0.00 C ATOM 1802 C GLU A 112 -11.233 15.760 -4.516 1.00 0.00 C ATOM 1803 O GLU A 112 -11.146 16.807 -5.158 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.391 13.538 -5.655 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.680 12.320 -6.220 1.00 0.00 C ATOM 1806 CD GLU A 112 -11.369 11.760 -7.448 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -11.908 12.559 -8.242 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -11.370 10.523 -7.617 1.00 0.00 O ATOM 0 H GLU A 112 -10.473 13.298 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.662 14.816 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.162 13.208 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.897 14.061 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.654 12.588 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.627 11.547 -5.453 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.990 15.638 -3.432 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.781 16.751 -2.921 1.00 0.00 C ATOM 1817 C LYS A 113 -11.901 17.971 -2.663 1.00 0.00 C ATOM 1818 O LYS A 113 -12.381 19.104 -2.662 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.498 16.346 -1.632 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.674 16.579 -0.377 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.495 16.349 0.881 1.00 0.00 C ATOM 1822 CE LYS A 113 -12.673 16.600 2.136 1.00 0.00 C ATOM 1823 NZ LYS A 113 -12.424 18.052 2.354 1.00 0.00 N ATOM 0 H LYS A 113 -12.073 14.778 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.523 17.012 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.430 16.906 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.764 15.291 -1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.813 15.911 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.287 17.598 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.363 17.008 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.871 15.326 0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.194 16.187 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.721 16.076 2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -11.935 18.188 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.833 18.422 1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -13.331 18.561 2.370 1.00 0.00 H new ATOM 1837 N MET A 114 -10.612 17.730 -2.447 1.00 0.00 N ATOM 1838 CA MET A 114 -9.666 18.810 -2.191 1.00 0.00 C ATOM 1839 C MET A 114 -9.891 19.970 -3.155 1.00 0.00 C ATOM 1840 O MET A 114 -10.144 21.098 -2.737 1.00 0.00 O ATOM 1841 CB MET A 114 -8.230 18.298 -2.315 1.00 0.00 C ATOM 1842 CG MET A 114 -7.874 17.231 -1.293 1.00 0.00 C ATOM 1843 SD MET A 114 -7.231 17.925 0.241 1.00 0.00 S ATOM 1844 CE MET A 114 -6.511 16.469 0.997 1.00 0.00 C ATOM 0 H MET A 114 -10.199 16.797 -2.444 1.00 0.00 H new ATOM 0 HA MET A 114 -9.829 19.170 -1.175 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.083 17.894 -3.316 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.543 19.137 -2.206 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.759 16.634 -1.074 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.132 16.557 -1.721 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.758 16.771 1.724 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.291 15.896 1.499 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.046 15.852 0.228 1.00 0.00 H new ATOM 1854 N GLY A 115 -9.795 19.684 -4.451 1.00 0.00 N ATOM 1855 CA GLY A 115 -9.990 20.713 -5.454 1.00 0.00 C ATOM 1856 C GLY A 115 -10.452 20.148 -6.783 1.00 0.00 C ATOM 1857 O GLY A 115 -9.701 19.447 -7.462 1.00 0.00 O ATOM 0 H GLY A 115 -9.586 18.758 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -10.725 21.433 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -9.056 21.256 -5.599 1.00 0.00 H new ATOM 1861 N SER A 116 -11.691 20.451 -7.155 1.00 0.00 N ATOM 1862 CA SER A 116 -12.254 19.963 -8.409 1.00 0.00 C ATOM 1863 C SER A 116 -11.926 20.912 -9.557 1.00 0.00 C ATOM 1864 O SER A 116 -12.678 21.844 -9.841 1.00 0.00 O ATOM 1865 CB SER A 116 -13.770 19.801 -8.282 1.00 0.00 C ATOM 1866 OG SER A 116 -14.354 19.479 -9.534 1.00 0.00 O ATOM 0 H SER A 116 -12.325 21.032 -6.606 1.00 0.00 H new ATOM 0 HA SER A 116 -11.809 18.992 -8.626 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.996 19.017 -7.559 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.207 20.723 -7.899 1.00 0.00 H new ATOM 0 HG SER A 116 -15.323 19.379 -9.427 1.00 0.00 H new ATOM 1872 N GLY A 117 -10.797 20.668 -10.214 1.00 0.00 N ATOM 1873 CA GLY A 117 -10.387 21.510 -11.324 1.00 0.00 C ATOM 1874 C GLY A 117 -10.427 20.779 -12.651 1.00 0.00 C ATOM 1875 O GLY A 117 -11.457 20.723 -13.322 1.00 0.00 O ATOM 0 H GLY A 117 -10.158 19.903 -9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.038 22.383 -11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -9.376 21.876 -11.144 1.00 0.00 H new ATOM 1879 N PRO A 118 -9.282 20.201 -13.048 1.00 0.00 N ATOM 1880 CA PRO A 118 -9.165 19.461 -14.308 1.00 0.00 C ATOM 1881 C PRO A 118 -9.933 18.143 -14.279 1.00 0.00 C ATOM 1882 O PRO A 118 -10.316 17.615 -15.323 1.00 0.00 O ATOM 1883 CB PRO A 118 -7.662 19.200 -14.426 1.00 0.00 C ATOM 1884 CG PRO A 118 -7.160 19.227 -13.024 1.00 0.00 C ATOM 1885 CD PRO A 118 -8.016 20.227 -12.297 1.00 0.00 C ATOM 0 HA PRO A 118 -9.583 20.016 -15.148 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.463 18.238 -14.899 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.175 19.961 -15.035 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -7.235 18.242 -12.564 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.109 19.516 -12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -8.162 19.948 -11.253 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -7.566 21.220 -12.302 1.00 0.00 H new ATOM 1893 N SER A 119 -10.158 17.620 -13.079 1.00 0.00 N ATOM 1894 CA SER A 119 -10.878 16.363 -12.915 1.00 0.00 C ATOM 1895 C SER A 119 -12.271 16.450 -13.533 1.00 0.00 C ATOM 1896 O SER A 119 -13.071 17.312 -13.168 1.00 0.00 O ATOM 1897 CB SER A 119 -10.987 16.002 -11.432 1.00 0.00 C ATOM 1898 OG SER A 119 -9.739 15.568 -10.920 1.00 0.00 O ATOM 0 H SER A 119 -9.852 18.047 -12.205 1.00 0.00 H new ATOM 0 HA SER A 119 -10.318 15.583 -13.431 1.00 0.00 H new ATOM 0 HB2 SER A 119 -11.334 16.868 -10.868 1.00 0.00 H new ATOM 0 HB3 SER A 119 -11.731 15.217 -11.299 1.00 0.00 H new ATOM 0 HG SER A 119 -9.835 15.345 -9.971 1.00 0.00 H new ATOM 1904 N SER A 120 -12.552 15.552 -14.471 1.00 0.00 N ATOM 1905 CA SER A 120 -13.847 15.529 -15.142 1.00 0.00 C ATOM 1906 C SER A 120 -14.391 14.107 -15.226 1.00 0.00 C ATOM 1907 O SER A 120 -13.754 13.218 -15.790 1.00 0.00 O ATOM 1908 CB SER A 120 -13.726 16.124 -16.548 1.00 0.00 C ATOM 1909 OG SER A 120 -12.627 15.564 -17.245 1.00 0.00 O ATOM 0 H SER A 120 -11.902 14.831 -14.784 1.00 0.00 H new ATOM 0 HA SER A 120 -14.542 16.131 -14.557 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.645 15.941 -17.104 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.605 17.205 -16.480 1.00 0.00 H new ATOM 0 HG SER A 120 -12.538 14.617 -17.009 1.00 0.00 H new ATOM 1915 N GLY A 121 -15.575 13.898 -14.658 1.00 0.00 N ATOM 1916 CA GLY A 121 -16.186 12.582 -14.678 1.00 0.00 C ATOM 1917 C GLY A 121 -17.649 12.616 -14.281 1.00 0.00 C ATOM 1918 O GLY A 121 -18.168 11.654 -13.717 1.00 0.00 O ATOM 0 H GLY A 121 -16.122 14.617 -14.184 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -16.094 12.157 -15.678 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -15.644 11.923 -14.000 1.00 0.00 H new TER 1922 GLY A 121