USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1011 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 94 ASN : amide:sc= -0.996 K(o=0.46,f=-0.34) USER MOD Set 1.2: A 106 TYR OH : rot -20:sc= 1.46 USER MOD Set 2.1: A 56 SER OG : rot 82:sc= 0.0229 USER MOD Set 2.2: A 85 MET CE :methyl 146:sc=-0.00944 (180deg=-0.57) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.21) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 126:sc= 1.31 USER MOD Single : A 17 MET CE :methyl -153:sc= -0.203 (180deg=-1.69) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 32 ASN : amide:sc= -0.0574 K(o=-0.057,f=-1.4!) USER MOD Single : A 44 ASN : amide:sc= -0.0376 K(o=-0.038,f=-0.64) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 1.04 (180deg=0.779) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.295 K(o=-0.3,f=-1.7) USER MOD Single : A 60 MET CE :methyl 178:sc= -0.0237 (180deg=-0.032) USER MOD Single : A 62 ASN : amide:sc=-0.000841 K(o=-0.00084,f=-0.96) USER MOD Single : A 63 MET CE :methyl 178:sc= -0.957 (180deg=-0.983) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 78 MET CE :methyl 179:sc= -0.437 (180deg=-0.439) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 94:sc= 1.54 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0435 X(o=-0.043,f=-0.043) USER MOD Single : A 104 SER OG : rot -155:sc= 1.17 USER MOD Single : A 109 LYS NZ :NH3+ -166:sc= -0.0399 (180deg=-0.259) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 119 LYS NZ :NH3+ -120:sc= 0.0948 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 122 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.432) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -156:sc= 0 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.339 -18.442 2.165 1.00 0.00 N ATOM 2 CA MET A 1 21.975 -17.114 2.680 1.00 0.00 C ATOM 3 C MET A 1 21.306 -16.306 1.570 1.00 0.00 C ATOM 4 O MET A 1 21.983 -15.601 0.823 1.00 0.00 O ATOM 5 CB MET A 1 23.173 -16.373 3.302 1.00 0.00 C ATOM 6 CG MET A 1 24.429 -16.317 2.419 1.00 0.00 C ATOM 7 SD MET A 1 25.394 -14.797 2.581 1.00 0.00 S ATOM 8 CE MET A 1 26.177 -14.793 0.947 1.00 0.00 C ATOM 0 H1 MET A 1 22.795 -18.994 2.919 1.00 0.00 H new ATOM 0 H2 MET A 1 21.482 -18.936 1.844 1.00 0.00 H new ATOM 0 H3 MET A 1 22.998 -18.336 1.367 1.00 0.00 H new ATOM 0 HA MET A 1 21.263 -17.244 3.495 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.868 -15.354 3.539 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.431 -16.856 4.245 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.068 -17.165 2.664 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.130 -16.433 1.377 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.821 -13.918 0.854 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.774 -15.697 0.827 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.408 -14.761 0.175 1.00 0.00 H new ATOM 20 N ALA A 2 19.987 -16.416 1.418 1.00 0.00 N ATOM 21 CA ALA A 2 19.194 -15.730 0.406 1.00 0.00 C ATOM 22 C ALA A 2 17.727 -15.860 0.805 1.00 0.00 C ATOM 23 O ALA A 2 17.333 -16.886 1.376 1.00 0.00 O ATOM 24 CB ALA A 2 19.416 -16.381 -0.961 1.00 0.00 C ATOM 0 H ALA A 2 19.421 -17.011 2.023 1.00 0.00 H new ATOM 0 HA ALA A 2 19.485 -14.682 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.820 -15.863 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.471 -16.317 -1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 2 19.116 -17.428 -0.919 1.00 0.00 H new ATOM 30 N ASP A 3 16.920 -14.854 0.479 1.00 0.00 N ATOM 31 CA ASP A 3 15.612 -14.627 1.091 1.00 0.00 C ATOM 32 C ASP A 3 14.509 -14.515 0.053 1.00 0.00 C ATOM 33 O ASP A 3 14.777 -14.203 -1.111 1.00 0.00 O ATOM 34 CB ASP A 3 15.651 -13.357 1.964 1.00 0.00 C ATOM 35 CG ASP A 3 16.090 -13.677 3.390 1.00 0.00 C ATOM 36 OD1 ASP A 3 17.126 -14.343 3.592 1.00 0.00 O ATOM 37 OD2 ASP A 3 15.309 -13.399 4.331 1.00 0.00 O ATOM 0 H ASP A 3 17.160 -14.161 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 3 15.386 -15.492 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.336 -12.632 1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.664 -12.894 1.980 1.00 0.00 H new ATOM 42 N LYS A 4 13.257 -14.668 0.510 1.00 0.00 N ATOM 43 CA LYS A 4 12.023 -14.606 -0.288 1.00 0.00 C ATOM 44 C LYS A 4 11.872 -13.292 -1.063 1.00 0.00 C ATOM 45 O LYS A 4 11.003 -13.201 -1.927 1.00 0.00 O ATOM 46 CB LYS A 4 10.801 -14.853 0.625 1.00 0.00 C ATOM 47 CG LYS A 4 10.778 -16.282 1.203 1.00 0.00 C ATOM 48 CD LYS A 4 9.830 -16.467 2.401 1.00 0.00 C ATOM 49 CE LYS A 4 8.496 -17.169 2.103 1.00 0.00 C ATOM 50 NZ LYS A 4 7.492 -16.302 1.456 1.00 0.00 N ATOM 0 H LYS A 4 13.068 -14.847 1.496 1.00 0.00 H new ATOM 0 HA LYS A 4 12.083 -15.392 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.811 -14.133 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.886 -14.679 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.487 -16.975 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.788 -16.554 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.354 -17.037 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.615 -15.486 2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.686 -18.029 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.083 -17.552 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.621 -16.845 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.281 -15.493 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.865 -15.956 0.549 1.00 0.00 H new ATOM 64 N GLU A 5 12.720 -12.292 -0.797 1.00 0.00 N ATOM 65 CA GLU A 5 12.854 -11.061 -1.569 1.00 0.00 C ATOM 66 C GLU A 5 11.535 -10.277 -1.619 1.00 0.00 C ATOM 67 O GLU A 5 11.304 -9.500 -2.547 1.00 0.00 O ATOM 68 CB GLU A 5 13.495 -11.352 -2.951 1.00 0.00 C ATOM 69 CG GLU A 5 14.964 -10.902 -3.038 1.00 0.00 C ATOM 70 CD GLU A 5 15.167 -9.387 -3.227 1.00 0.00 C ATOM 71 OE1 GLU A 5 14.291 -8.582 -2.839 1.00 0.00 O ATOM 72 OE2 GLU A 5 16.236 -8.983 -3.753 1.00 0.00 O ATOM 0 H GLU A 5 13.358 -12.325 -0.002 1.00 0.00 H new ATOM 0 HA GLU A 5 13.547 -10.390 -1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.435 -12.421 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.919 -10.847 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.479 -11.212 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.440 -11.424 -3.868 1.00 0.00 H new ATOM 79 N LEU A 6 10.676 -10.458 -0.607 1.00 0.00 N ATOM 80 CA LEU A 6 9.394 -9.769 -0.479 1.00 0.00 C ATOM 81 C LEU A 6 9.633 -8.264 -0.524 1.00 0.00 C ATOM 82 O LEU A 6 10.343 -7.724 0.326 1.00 0.00 O ATOM 83 CB LEU A 6 8.673 -10.176 0.817 1.00 0.00 C ATOM 84 CG LEU A 6 7.325 -9.429 0.980 1.00 0.00 C ATOM 85 CD1 LEU A 6 6.161 -10.409 1.142 1.00 0.00 C ATOM 86 CD2 LEU A 6 7.352 -8.461 2.167 1.00 0.00 C ATOM 0 H LEU A 6 10.862 -11.103 0.161 1.00 0.00 H new ATOM 0 HA LEU A 6 8.748 -10.056 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.495 -11.251 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.314 -9.962 1.673 1.00 0.00 H new ATOM 0 HG LEU A 6 7.176 -8.852 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.230 -9.853 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.098 -11.048 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.324 -11.025 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.389 -7.957 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.549 -9.016 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.137 -7.721 2.015 1.00 0.00 H new ATOM 98 N LYS A 7 9.100 -7.602 -1.545 1.00 0.00 N ATOM 99 CA LYS A 7 9.141 -6.153 -1.653 1.00 0.00 C ATOM 100 C LYS A 7 8.010 -5.516 -0.863 1.00 0.00 C ATOM 101 O LYS A 7 7.007 -6.170 -0.571 1.00 0.00 O ATOM 102 CB LYS A 7 9.025 -5.746 -3.126 1.00 0.00 C ATOM 103 CG LYS A 7 10.350 -5.232 -3.689 1.00 0.00 C ATOM 104 CD LYS A 7 11.373 -6.363 -3.868 1.00 0.00 C ATOM 105 CE LYS A 7 12.619 -5.824 -4.577 1.00 0.00 C ATOM 106 NZ LYS A 7 13.612 -6.875 -4.872 1.00 0.00 N ATOM 0 H LYS A 7 8.626 -8.060 -2.323 1.00 0.00 H new ATOM 0 HA LYS A 7 10.089 -5.804 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.691 -6.602 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.264 -4.972 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.173 -4.747 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.759 -4.475 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.646 -6.777 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.935 -7.174 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.321 -5.341 -5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.082 -5.058 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.454 -6.445 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.883 -7.354 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.200 -7.567 -5.529 1.00 0.00 H new ATOM 120 N PHE A 8 8.136 -4.207 -0.644 1.00 0.00 N ATOM 121 CA PHE A 8 7.039 -3.345 -0.236 1.00 0.00 C ATOM 122 C PHE A 8 6.885 -2.309 -1.337 1.00 0.00 C ATOM 123 O PHE A 8 7.596 -1.307 -1.322 1.00 0.00 O ATOM 124 CB PHE A 8 7.344 -2.708 1.131 1.00 0.00 C ATOM 125 CG PHE A 8 6.618 -3.351 2.285 1.00 0.00 C ATOM 126 CD1 PHE A 8 6.921 -4.663 2.682 1.00 0.00 C ATOM 127 CD2 PHE A 8 5.607 -2.634 2.947 1.00 0.00 C ATOM 128 CE1 PHE A 8 6.214 -5.244 3.746 1.00 0.00 C ATOM 129 CE2 PHE A 8 4.918 -3.208 4.024 1.00 0.00 C ATOM 130 CZ PHE A 8 5.238 -4.510 4.439 1.00 0.00 C ATOM 0 H PHE A 8 9.022 -3.712 -0.749 1.00 0.00 H new ATOM 0 HA PHE A 8 6.107 -3.895 -0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.417 -2.764 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.081 -1.651 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.692 -5.221 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.359 -1.634 2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.422 -6.264 4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.145 -2.651 4.532 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.735 -4.946 5.289 1.00 0.00 H new ATOM 140 N LEU A 9 6.040 -2.549 -2.338 1.00 0.00 N ATOM 141 CA LEU A 9 5.787 -1.514 -3.333 1.00 0.00 C ATOM 142 C LEU A 9 5.004 -0.400 -2.648 1.00 0.00 C ATOM 143 O LEU A 9 4.009 -0.692 -1.986 1.00 0.00 O ATOM 144 CB LEU A 9 4.997 -2.058 -4.529 1.00 0.00 C ATOM 145 CG LEU A 9 4.948 -1.015 -5.664 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.293 -0.911 -6.394 1.00 0.00 C ATOM 147 CD2 LEU A 9 3.867 -1.360 -6.674 1.00 0.00 C ATOM 0 H LEU A 9 5.534 -3.423 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 9 6.735 -1.144 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.460 -2.976 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.984 -2.313 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 9 4.722 -0.055 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.220 -0.167 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.068 -0.614 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.548 -1.878 -6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.854 -0.609 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.073 -2.339 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.897 -1.381 -6.176 1.00 0.00 H new ATOM 159 N VAL A 10 5.432 0.849 -2.810 1.00 0.00 N ATOM 160 CA VAL A 10 4.757 2.002 -2.224 1.00 0.00 C ATOM 161 C VAL A 10 4.692 3.089 -3.311 1.00 0.00 C ATOM 162 O VAL A 10 5.731 3.428 -3.884 1.00 0.00 O ATOM 163 CB VAL A 10 5.505 2.429 -0.942 1.00 0.00 C ATOM 164 CG1 VAL A 10 4.864 3.648 -0.274 1.00 0.00 C ATOM 165 CG2 VAL A 10 5.734 1.347 0.126 1.00 0.00 C ATOM 0 H VAL A 10 6.260 1.090 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 10 3.736 1.785 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 10 6.492 2.670 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.426 3.909 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.874 4.490 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.835 3.414 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.269 1.778 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.773 0.960 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.323 0.535 -0.300 1.00 0.00 H new ATOM 175 N VAL A 11 3.488 3.605 -3.618 1.00 0.00 N ATOM 176 CA VAL A 11 3.226 4.557 -4.708 1.00 0.00 C ATOM 177 C VAL A 11 2.317 5.672 -4.129 1.00 0.00 C ATOM 178 O VAL A 11 1.126 5.738 -4.431 1.00 0.00 O ATOM 179 CB VAL A 11 2.614 3.842 -5.950 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.831 4.690 -7.213 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.196 2.434 -6.169 1.00 0.00 C ATOM 0 H VAL A 11 2.646 3.362 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 11 4.150 5.004 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 11 1.548 3.730 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.399 4.179 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.349 5.660 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.899 4.834 -7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.735 1.982 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.273 2.505 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.993 1.816 -5.294 1.00 0.00 H new ATOM 191 N ASP A 12 2.839 6.491 -3.207 1.00 0.00 N ATOM 192 CA ASP A 12 2.023 7.409 -2.388 1.00 0.00 C ATOM 193 C ASP A 12 1.762 8.730 -3.126 1.00 0.00 C ATOM 194 O ASP A 12 2.462 9.039 -4.093 1.00 0.00 O ATOM 195 CB ASP A 12 2.715 7.729 -1.056 1.00 0.00 C ATOM 196 CG ASP A 12 2.950 6.524 -0.145 1.00 0.00 C ATOM 197 OD1 ASP A 12 2.229 5.512 -0.261 1.00 0.00 O ATOM 198 OD2 ASP A 12 3.907 6.624 0.652 1.00 0.00 O ATOM 0 H ASP A 12 3.838 6.539 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 12 1.077 6.902 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.676 8.199 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.113 8.461 -0.517 1.00 0.00 H new ATOM 203 N ASP A 13 0.822 9.558 -2.643 1.00 0.00 N ATOM 204 CA ASP A 13 0.314 10.744 -3.367 1.00 0.00 C ATOM 205 C ASP A 13 1.361 11.836 -3.547 1.00 0.00 C ATOM 206 O ASP A 13 1.249 12.670 -4.448 1.00 0.00 O ATOM 207 CB ASP A 13 -0.989 11.325 -2.758 1.00 0.00 C ATOM 208 CG ASP A 13 -0.907 12.379 -1.646 1.00 0.00 C ATOM 209 OD1 ASP A 13 -0.322 13.470 -1.837 1.00 0.00 O ATOM 210 OD2 ASP A 13 -1.514 12.128 -0.584 1.00 0.00 O ATOM 0 H ASP A 13 0.386 9.425 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 13 0.066 10.368 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.565 11.759 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.568 10.487 -2.370 1.00 0.00 H new ATOM 215 N PHE A 14 2.405 11.790 -2.726 1.00 0.00 N ATOM 216 CA PHE A 14 3.428 12.798 -2.576 1.00 0.00 C ATOM 217 C PHE A 14 4.725 12.042 -2.331 1.00 0.00 C ATOM 218 O PHE A 14 4.755 11.172 -1.458 1.00 0.00 O ATOM 219 CB PHE A 14 3.020 13.645 -1.360 1.00 0.00 C ATOM 220 CG PHE A 14 3.894 14.803 -0.938 1.00 0.00 C ATOM 221 CD1 PHE A 14 4.802 15.420 -1.821 1.00 0.00 C ATOM 222 CD2 PHE A 14 3.684 15.348 0.343 1.00 0.00 C ATOM 223 CE1 PHE A 14 5.501 16.565 -1.410 1.00 0.00 C ATOM 224 CE2 PHE A 14 4.368 16.505 0.739 1.00 0.00 C ATOM 225 CZ PHE A 14 5.275 17.115 -0.138 1.00 0.00 C ATOM 0 H PHE A 14 2.562 10.992 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 14 3.551 13.453 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.024 14.041 -1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.933 12.972 -0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.959 15.014 -2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.993 14.872 1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.216 17.026 -2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.196 16.926 1.719 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.800 18.009 0.165 1.00 0.00 H new ATOM 235 N SER A 15 5.807 12.376 -3.043 1.00 0.00 N ATOM 236 CA SER A 15 7.094 11.703 -2.874 1.00 0.00 C ATOM 237 C SER A 15 7.519 11.695 -1.406 1.00 0.00 C ATOM 238 O SER A 15 7.970 10.656 -0.918 1.00 0.00 O ATOM 239 CB SER A 15 8.172 12.347 -3.750 1.00 0.00 C ATOM 240 OG SER A 15 7.796 12.301 -5.114 1.00 0.00 O ATOM 0 H SER A 15 5.813 13.115 -3.746 1.00 0.00 H new ATOM 0 HA SER A 15 6.974 10.669 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.327 13.382 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.120 11.828 -3.610 1.00 0.00 H new ATOM 0 HG SER A 15 8.495 12.718 -5.660 1.00 0.00 H new ATOM 246 N THR A 16 7.319 12.807 -0.687 1.00 0.00 N ATOM 247 CA THR A 16 7.584 12.893 0.741 1.00 0.00 C ATOM 248 C THR A 16 6.904 11.748 1.484 1.00 0.00 C ATOM 249 O THR A 16 7.570 11.077 2.267 1.00 0.00 O ATOM 250 CB THR A 16 7.146 14.258 1.292 1.00 0.00 C ATOM 251 OG1 THR A 16 7.777 15.282 0.549 1.00 0.00 O ATOM 252 CG2 THR A 16 7.526 14.404 2.769 1.00 0.00 C ATOM 0 H THR A 16 6.966 13.675 -1.090 1.00 0.00 H new ATOM 0 HA THR A 16 8.658 12.800 0.900 1.00 0.00 H new ATOM 0 HB THR A 16 6.062 14.335 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.100 15.900 0.202 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.204 15.380 3.133 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.038 13.621 3.349 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.607 14.315 2.877 1.00 0.00 H new ATOM 260 N MET A 17 5.626 11.456 1.223 1.00 0.00 N ATOM 261 CA MET A 17 4.974 10.346 1.887 1.00 0.00 C ATOM 262 C MET A 17 5.681 9.032 1.597 1.00 0.00 C ATOM 263 O MET A 17 5.852 8.264 2.536 1.00 0.00 O ATOM 264 CB MET A 17 3.479 10.284 1.561 1.00 0.00 C ATOM 265 CG MET A 17 2.730 10.788 2.791 1.00 0.00 C ATOM 266 SD MET A 17 0.932 10.794 2.693 1.00 0.00 S ATOM 267 CE MET A 17 0.722 12.050 1.422 1.00 0.00 C ATOM 0 H MET A 17 5.038 11.969 0.566 1.00 0.00 H new ATOM 0 HA MET A 17 5.050 10.519 2.961 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.249 10.899 0.691 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.180 9.264 1.319 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.023 10.175 3.643 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.063 11.804 3.000 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.246 12.536 1.547 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.515 12.793 1.510 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.770 11.583 0.438 1.00 0.00 H new ATOM 277 N ARG A 18 6.231 8.818 0.397 1.00 0.00 N ATOM 278 CA ARG A 18 6.915 7.563 0.104 1.00 0.00 C ATOM 279 C ARG A 18 8.202 7.451 0.923 1.00 0.00 C ATOM 280 O ARG A 18 8.619 6.346 1.296 1.00 0.00 O ATOM 281 CB ARG A 18 7.080 7.468 -1.423 1.00 0.00 C ATOM 282 CG ARG A 18 8.024 6.387 -1.940 1.00 0.00 C ATOM 283 CD ARG A 18 7.574 5.006 -1.483 1.00 0.00 C ATOM 284 NE ARG A 18 8.463 3.926 -1.926 1.00 0.00 N ATOM 285 CZ ARG A 18 9.741 3.739 -1.598 1.00 0.00 C ATOM 286 NH1 ARG A 18 10.359 4.559 -0.756 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.380 2.719 -2.146 1.00 0.00 N ATOM 0 H ARG A 18 6.215 9.487 -0.372 1.00 0.00 H new ATOM 0 HA ARG A 18 6.338 6.691 0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.097 7.301 -1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.433 8.432 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.059 6.420 -3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.035 6.581 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.514 4.993 -0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.569 4.817 -1.860 1.00 0.00 H new ATOM 0 HE ARG A 18 8.055 3.238 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.855 5.347 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.338 4.401 -0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.894 2.104 -2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.359 2.548 -1.916 1.00 0.00 H new ATOM 301 N ARG A 19 8.840 8.587 1.221 1.00 0.00 N ATOM 302 CA ARG A 19 10.026 8.644 2.071 1.00 0.00 C ATOM 303 C ARG A 19 9.588 8.312 3.491 1.00 0.00 C ATOM 304 O ARG A 19 10.177 7.438 4.120 1.00 0.00 O ATOM 305 CB ARG A 19 10.750 10.007 2.002 1.00 0.00 C ATOM 306 CG ARG A 19 11.734 10.106 0.824 1.00 0.00 C ATOM 307 CD ARG A 19 10.983 10.215 -0.500 1.00 0.00 C ATOM 308 NE ARG A 19 11.788 9.825 -1.658 1.00 0.00 N ATOM 309 CZ ARG A 19 11.291 9.210 -2.738 1.00 0.00 C ATOM 310 NH1 ARG A 19 9.973 9.132 -2.934 1.00 0.00 N ATOM 311 NH2 ARG A 19 12.129 8.647 -3.591 1.00 0.00 N ATOM 0 H ARG A 19 8.543 9.499 0.874 1.00 0.00 H new ATOM 0 HA ARG A 19 10.758 7.919 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.009 10.802 1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.290 10.173 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.379 10.975 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.381 9.229 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.093 9.587 -0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.642 11.242 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 19 12.786 10.034 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.331 9.544 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.607 8.660 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.134 8.686 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.771 8.173 -4.420 1.00 0.00 H new ATOM 325 N ILE A 20 8.541 8.981 3.976 1.00 0.00 N ATOM 326 CA ILE A 20 7.955 8.780 5.292 1.00 0.00 C ATOM 327 C ILE A 20 7.580 7.305 5.469 1.00 0.00 C ATOM 328 O ILE A 20 8.124 6.683 6.375 1.00 0.00 O ATOM 329 CB ILE A 20 6.808 9.796 5.528 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.301 11.135 6.124 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.715 9.253 6.469 1.00 0.00 C ATOM 332 CD1 ILE A 20 8.445 11.846 5.393 1.00 0.00 C ATOM 0 H ILE A 20 8.063 9.704 3.438 1.00 0.00 H new ATOM 0 HA ILE A 20 8.676 8.990 6.082 1.00 0.00 H new ATOM 0 HB ILE A 20 6.396 9.963 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.453 11.818 6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.618 10.952 7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.938 10.007 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.278 8.352 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.154 9.016 7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.692 12.770 5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.321 11.197 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.137 12.077 4.373 1.00 0.00 H new ATOM 344 N VAL A 21 6.684 6.740 4.654 1.00 0.00 N ATOM 345 CA VAL A 21 6.243 5.349 4.718 1.00 0.00 C ATOM 346 C VAL A 21 7.457 4.421 4.723 1.00 0.00 C ATOM 347 O VAL A 21 7.531 3.566 5.608 1.00 0.00 O ATOM 348 CB VAL A 21 5.257 5.029 3.566 1.00 0.00 C ATOM 349 CG1 VAL A 21 4.916 3.530 3.493 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.928 5.779 3.733 1.00 0.00 C ATOM 0 H VAL A 21 6.230 7.262 3.904 1.00 0.00 H new ATOM 0 HA VAL A 21 5.698 5.185 5.647 1.00 0.00 H new ATOM 0 HB VAL A 21 5.767 5.344 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.222 3.354 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.828 2.957 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.456 3.216 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.263 5.529 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.462 5.488 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.114 6.853 3.737 1.00 0.00 H new ATOM 360 N ARG A 22 8.423 4.592 3.801 1.00 0.00 N ATOM 361 CA ARG A 22 9.628 3.760 3.835 1.00 0.00 C ATOM 362 C ARG A 22 10.306 3.848 5.205 1.00 0.00 C ATOM 363 O ARG A 22 10.679 2.817 5.760 1.00 0.00 O ATOM 364 CB ARG A 22 10.603 4.175 2.723 1.00 0.00 C ATOM 365 CG ARG A 22 11.936 3.408 2.793 1.00 0.00 C ATOM 366 CD ARG A 22 13.005 4.017 1.875 1.00 0.00 C ATOM 367 NE ARG A 22 14.352 3.721 2.389 1.00 0.00 N ATOM 368 CZ ARG A 22 15.167 2.730 2.016 1.00 0.00 C ATOM 369 NH1 ARG A 22 14.846 1.943 0.997 1.00 0.00 N ATOM 370 NH2 ARG A 22 16.292 2.515 2.679 1.00 0.00 N ATOM 0 H ARG A 22 8.392 5.278 3.047 1.00 0.00 H new ATOM 0 HA ARG A 22 9.333 2.725 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.138 4.001 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.799 5.245 2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.299 3.408 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.770 2.368 2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.898 3.618 0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.864 5.096 1.807 1.00 0.00 H new ATOM 0 HE ARG A 22 14.705 4.345 3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.972 2.093 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.473 1.189 0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.536 3.106 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.915 1.759 2.395 1.00 0.00 H new ATOM 384 N ASN A 23 10.506 5.063 5.724 1.00 0.00 N ATOM 385 CA ASN A 23 11.151 5.291 7.008 1.00 0.00 C ATOM 386 C ASN A 23 10.406 4.533 8.098 1.00 0.00 C ATOM 387 O ASN A 23 11.024 3.768 8.821 1.00 0.00 O ATOM 388 CB ASN A 23 11.227 6.794 7.345 1.00 0.00 C ATOM 389 CG ASN A 23 12.657 7.295 7.324 1.00 0.00 C ATOM 390 OD1 ASN A 23 13.244 7.465 6.261 1.00 0.00 O ATOM 391 ND2 ASN A 23 13.267 7.515 8.473 1.00 0.00 N ATOM 0 H ASN A 23 10.219 5.922 5.254 1.00 0.00 H new ATOM 0 HA ASN A 23 12.174 4.920 6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.631 7.359 6.628 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.793 6.970 8.329 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.237 7.830 8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.768 7.370 9.351 1.00 0.00 H new ATOM 398 N LEU A 24 9.088 4.720 8.205 1.00 0.00 N ATOM 399 CA LEU A 24 8.250 4.120 9.244 1.00 0.00 C ATOM 400 C LEU A 24 8.355 2.594 9.200 1.00 0.00 C ATOM 401 O LEU A 24 8.465 1.953 10.245 1.00 0.00 O ATOM 402 CB LEU A 24 6.779 4.549 9.074 1.00 0.00 C ATOM 403 CG LEU A 24 6.516 6.064 9.182 1.00 0.00 C ATOM 404 CD1 LEU A 24 5.079 6.376 8.754 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.850 6.662 10.549 1.00 0.00 C ATOM 0 H LEU A 24 8.563 5.306 7.556 1.00 0.00 H new ATOM 0 HA LEU A 24 8.607 4.472 10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.428 4.205 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.180 4.039 9.828 1.00 0.00 H new ATOM 0 HG LEU A 24 7.208 6.553 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.901 7.448 8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.930 6.058 7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.383 5.844 9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.636 7.731 10.541 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.246 6.177 11.316 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.906 6.505 10.767 1.00 0.00 H new ATOM 417 N LEU A 25 8.340 2.013 7.997 1.00 0.00 N ATOM 418 CA LEU A 25 8.551 0.584 7.785 1.00 0.00 C ATOM 419 C LEU A 25 9.914 0.153 8.324 1.00 0.00 C ATOM 420 O LEU A 25 9.986 -0.833 9.059 1.00 0.00 O ATOM 421 CB LEU A 25 8.411 0.254 6.288 1.00 0.00 C ATOM 422 CG LEU A 25 6.936 0.070 5.894 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.736 0.310 4.397 1.00 0.00 C ATOM 424 CD2 LEU A 25 6.458 -1.340 6.253 1.00 0.00 C ATOM 0 H LEU A 25 8.179 2.532 7.134 1.00 0.00 H new ATOM 0 HA LEU A 25 7.792 0.026 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.852 1.055 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.967 -0.655 6.060 1.00 0.00 H new ATOM 0 HG LEU A 25 6.349 0.802 6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.685 0.174 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.040 1.326 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.340 -0.399 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.412 -1.453 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.061 -2.075 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.560 -1.496 7.327 1.00 0.00 H new ATOM 436 N LYS A 26 10.982 0.881 7.985 1.00 0.00 N ATOM 437 CA LYS A 26 12.323 0.576 8.471 1.00 0.00 C ATOM 438 C LYS A 26 12.456 0.762 9.973 1.00 0.00 C ATOM 439 O LYS A 26 13.181 -0.022 10.581 1.00 0.00 O ATOM 440 CB LYS A 26 13.386 1.369 7.696 1.00 0.00 C ATOM 441 CG LYS A 26 13.794 0.549 6.466 1.00 0.00 C ATOM 442 CD LYS A 26 14.921 1.189 5.654 1.00 0.00 C ATOM 443 CE LYS A 26 15.668 0.096 4.879 1.00 0.00 C ATOM 444 NZ LYS A 26 16.697 -0.560 5.710 1.00 0.00 N ATOM 0 H LYS A 26 10.938 1.693 7.369 1.00 0.00 H new ATOM 0 HA LYS A 26 12.498 -0.483 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.991 2.338 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.252 1.562 8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.108 -0.444 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.924 0.415 5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.514 1.927 4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.608 1.716 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.956 -0.650 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.137 0.532 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.180 -1.292 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.391 0.147 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.247 -0.998 6.539 1.00 0.00 H new ATOM 458 N GLU A 27 11.762 1.717 10.592 1.00 0.00 N ATOM 459 CA GLU A 27 11.776 1.841 12.045 1.00 0.00 C ATOM 460 C GLU A 27 11.222 0.563 12.663 1.00 0.00 C ATOM 461 O GLU A 27 11.802 0.037 13.614 1.00 0.00 O ATOM 462 CB GLU A 27 10.960 3.049 12.547 1.00 0.00 C ATOM 463 CG GLU A 27 11.458 4.423 12.088 1.00 0.00 C ATOM 464 CD GLU A 27 12.983 4.527 12.110 1.00 0.00 C ATOM 465 OE1 GLU A 27 13.554 4.826 13.186 1.00 0.00 O ATOM 466 OE2 GLU A 27 13.645 4.298 11.073 1.00 0.00 O ATOM 0 H GLU A 27 11.188 2.410 10.112 1.00 0.00 H new ATOM 0 HA GLU A 27 12.810 2.002 12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.928 2.929 12.219 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.952 3.031 13.637 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.098 4.618 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.035 5.194 12.732 1.00 0.00 H new ATOM 473 N LEU A 28 10.102 0.065 12.135 1.00 0.00 N ATOM 474 CA LEU A 28 9.464 -1.140 12.644 1.00 0.00 C ATOM 475 C LEU A 28 10.348 -2.360 12.409 1.00 0.00 C ATOM 476 O LEU A 28 10.522 -3.155 13.332 1.00 0.00 O ATOM 477 CB LEU A 28 8.069 -1.307 12.027 1.00 0.00 C ATOM 478 CG LEU A 28 7.081 -0.296 12.639 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.854 -0.159 11.739 1.00 0.00 C ATOM 480 CD2 LEU A 28 6.651 -0.723 14.047 1.00 0.00 C ATOM 0 H LEU A 28 9.616 0.488 11.344 1.00 0.00 H new ATOM 0 HA LEU A 28 9.334 -1.044 13.722 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.123 -1.163 10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.710 -2.322 12.196 1.00 0.00 H new ATOM 0 HG LEU A 28 7.585 0.667 12.716 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.159 0.557 12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.163 0.191 10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.364 -1.128 11.643 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.954 0.010 14.453 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.165 -1.698 13.999 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.528 -0.786 14.692 1.00 0.00 H new ATOM 492 N GLY A 29 10.945 -2.469 11.222 1.00 0.00 N ATOM 493 CA GLY A 29 11.976 -3.449 10.906 1.00 0.00 C ATOM 494 C GLY A 29 11.929 -3.967 9.471 1.00 0.00 C ATOM 495 O GLY A 29 12.809 -4.735 9.075 1.00 0.00 O ATOM 0 H GLY A 29 10.717 -1.861 10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.954 -3.002 11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.880 -4.293 11.588 1.00 0.00 H new ATOM 499 N PHE A 30 10.920 -3.582 8.690 1.00 0.00 N ATOM 500 CA PHE A 30 10.720 -4.020 7.313 1.00 0.00 C ATOM 501 C PHE A 30 11.735 -3.332 6.398 1.00 0.00 C ATOM 502 O PHE A 30 12.173 -2.219 6.682 1.00 0.00 O ATOM 503 CB PHE A 30 9.282 -3.691 6.894 1.00 0.00 C ATOM 504 CG PHE A 30 8.231 -4.599 7.509 1.00 0.00 C ATOM 505 CD1 PHE A 30 7.865 -4.473 8.865 1.00 0.00 C ATOM 506 CD2 PHE A 30 7.611 -5.579 6.715 1.00 0.00 C ATOM 507 CE1 PHE A 30 6.901 -5.334 9.416 1.00 0.00 C ATOM 508 CE2 PHE A 30 6.600 -6.397 7.250 1.00 0.00 C ATOM 509 CZ PHE A 30 6.258 -6.287 8.608 1.00 0.00 C ATOM 0 H PHE A 30 10.198 -2.937 9.010 1.00 0.00 H new ATOM 0 HA PHE A 30 10.873 -5.096 7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.062 -2.660 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.209 -3.753 5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.326 -3.714 9.480 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.913 -5.705 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.653 -5.263 10.465 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.088 -7.108 6.619 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.503 -6.933 9.030 1.00 0.00 H new ATOM 519 N ASN A 31 12.101 -3.958 5.278 1.00 0.00 N ATOM 520 CA ASN A 31 13.060 -3.406 4.320 1.00 0.00 C ATOM 521 C ASN A 31 12.680 -3.803 2.891 1.00 0.00 C ATOM 522 O ASN A 31 11.698 -4.514 2.685 1.00 0.00 O ATOM 523 CB ASN A 31 14.498 -3.837 4.674 1.00 0.00 C ATOM 524 CG ASN A 31 14.802 -5.276 4.267 1.00 0.00 C ATOM 525 OD1 ASN A 31 15.248 -5.529 3.151 1.00 0.00 O ATOM 526 ND2 ASN A 31 14.574 -6.251 5.128 1.00 0.00 N ATOM 0 H ASN A 31 11.736 -4.871 5.008 1.00 0.00 H new ATOM 0 HA ASN A 31 13.026 -2.318 4.379 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.204 -3.168 4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.651 -3.728 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.768 -7.218 4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.204 -6.037 6.054 1.00 0.00 H new ATOM 533 N ASN A 32 13.472 -3.341 1.916 1.00 0.00 N ATOM 534 CA ASN A 32 13.281 -3.521 0.476 1.00 0.00 C ATOM 535 C ASN A 32 11.903 -3.058 0.036 1.00 0.00 C ATOM 536 O ASN A 32 11.115 -3.784 -0.569 1.00 0.00 O ATOM 537 CB ASN A 32 13.618 -4.942 0.010 1.00 0.00 C ATOM 538 CG ASN A 32 15.107 -5.242 0.040 1.00 0.00 C ATOM 539 OD1 ASN A 32 15.947 -4.343 0.065 1.00 0.00 O ATOM 540 ND2 ASN A 32 15.469 -6.505 0.033 1.00 0.00 N ATOM 0 H ASN A 32 14.311 -2.801 2.126 1.00 0.00 H new ATOM 0 HA ASN A 32 14.001 -2.876 -0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.096 -5.659 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.245 -5.083 -1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.459 -6.752 0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.761 -7.238 0.012 1.00 0.00 H new ATOM 547 N VAL A 33 11.638 -1.785 0.296 1.00 0.00 N ATOM 548 CA VAL A 33 10.562 -1.086 -0.374 1.00 0.00 C ATOM 549 C VAL A 33 10.897 -0.950 -1.871 1.00 0.00 C ATOM 550 O VAL A 33 12.071 -0.977 -2.260 1.00 0.00 O ATOM 551 CB VAL A 33 10.342 0.275 0.305 1.00 0.00 C ATOM 552 CG1 VAL A 33 9.836 0.140 1.750 1.00 0.00 C ATOM 553 CG2 VAL A 33 11.638 1.098 0.326 1.00 0.00 C ATOM 0 H VAL A 33 12.157 -1.219 0.968 1.00 0.00 H new ATOM 0 HA VAL A 33 9.630 -1.646 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 33 9.580 0.781 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.698 1.131 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.885 -0.393 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.565 -0.414 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.453 2.056 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.406 0.554 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.977 1.269 -0.696 1.00 0.00 H new ATOM 563 N GLU A 34 9.896 -0.714 -2.707 1.00 0.00 N ATOM 564 CA GLU A 34 10.017 -0.385 -4.117 1.00 0.00 C ATOM 565 C GLU A 34 9.101 0.803 -4.415 1.00 0.00 C ATOM 566 O GLU A 34 8.326 1.252 -3.558 1.00 0.00 O ATOM 567 CB GLU A 34 9.710 -1.617 -5.000 1.00 0.00 C ATOM 568 CG GLU A 34 10.967 -2.205 -5.658 1.00 0.00 C ATOM 569 CD GLU A 34 11.619 -1.288 -6.705 1.00 0.00 C ATOM 570 OE1 GLU A 34 11.342 -0.072 -6.734 1.00 0.00 O ATOM 571 OE2 GLU A 34 12.459 -1.783 -7.489 1.00 0.00 O ATOM 0 H GLU A 34 8.924 -0.749 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 34 11.041 -0.099 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.231 -2.384 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.998 -1.334 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.699 -2.429 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.706 -3.151 -6.132 1.00 0.00 H new ATOM 578 N GLU A 35 9.249 1.364 -5.604 1.00 0.00 N ATOM 579 CA GLU A 35 8.597 2.569 -6.077 1.00 0.00 C ATOM 580 C GLU A 35 7.997 2.244 -7.434 1.00 0.00 C ATOM 581 O GLU A 35 8.635 1.567 -8.247 1.00 0.00 O ATOM 582 CB GLU A 35 9.631 3.692 -6.258 1.00 0.00 C ATOM 583 CG GLU A 35 10.371 4.054 -4.971 1.00 0.00 C ATOM 584 CD GLU A 35 11.417 5.149 -5.147 1.00 0.00 C ATOM 585 OE1 GLU A 35 12.502 4.887 -5.711 1.00 0.00 O ATOM 586 OE2 GLU A 35 11.212 6.276 -4.644 1.00 0.00 O ATOM 0 H GLU A 35 9.868 0.962 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 35 7.840 2.897 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.357 3.388 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.128 4.580 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.645 4.375 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.857 3.160 -4.579 1.00 0.00 H new ATOM 593 N ALA A 36 6.816 2.789 -7.697 1.00 0.00 N ATOM 594 CA ALA A 36 6.293 2.948 -9.042 1.00 0.00 C ATOM 595 C ALA A 36 6.177 4.451 -9.300 1.00 0.00 C ATOM 596 O ALA A 36 6.338 5.249 -8.369 1.00 0.00 O ATOM 597 CB ALA A 36 4.946 2.234 -9.142 1.00 0.00 C ATOM 0 H ALA A 36 6.189 3.136 -6.971 1.00 0.00 H new ATOM 0 HA ALA A 36 6.944 2.506 -9.796 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.547 2.349 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.079 1.174 -8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.250 2.668 -8.424 1.00 0.00 H new ATOM 603 N GLU A 37 5.907 4.852 -10.537 1.00 0.00 N ATOM 604 CA GLU A 37 5.569 6.239 -10.834 1.00 0.00 C ATOM 605 C GLU A 37 4.078 6.510 -10.598 1.00 0.00 C ATOM 606 O GLU A 37 3.697 7.653 -10.344 1.00 0.00 O ATOM 607 CB GLU A 37 6.032 6.617 -12.252 1.00 0.00 C ATOM 608 CG GLU A 37 5.228 6.004 -13.417 1.00 0.00 C ATOM 609 CD GLU A 37 4.679 7.023 -14.429 1.00 0.00 C ATOM 610 OE1 GLU A 37 4.415 8.206 -14.095 1.00 0.00 O ATOM 611 OE2 GLU A 37 4.507 6.642 -15.611 1.00 0.00 O ATOM 0 H GLU A 37 5.916 4.236 -11.350 1.00 0.00 H new ATOM 0 HA GLU A 37 6.108 6.887 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.997 7.702 -12.346 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.075 6.321 -12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.865 5.295 -13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.393 5.437 -13.005 1.00 0.00 H new ATOM 618 N ASP A 38 3.228 5.485 -10.672 1.00 0.00 N ATOM 619 CA ASP A 38 1.773 5.594 -10.667 1.00 0.00 C ATOM 620 C ASP A 38 1.174 4.184 -10.557 1.00 0.00 C ATOM 621 O ASP A 38 1.905 3.199 -10.568 1.00 0.00 O ATOM 622 CB ASP A 38 1.276 6.294 -11.948 1.00 0.00 C ATOM 623 CG ASP A 38 0.952 5.315 -13.078 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.865 4.660 -13.623 1.00 0.00 O ATOM 625 OD2 ASP A 38 -0.251 5.184 -13.390 1.00 0.00 O ATOM 0 H ASP A 38 3.549 4.519 -10.740 1.00 0.00 H new ATOM 0 HA ASP A 38 1.455 6.196 -9.816 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.386 6.878 -11.714 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.036 6.996 -12.290 1.00 0.00 H new ATOM 630 N GLY A 39 -0.148 4.077 -10.446 1.00 0.00 N ATOM 631 CA GLY A 39 -0.909 2.839 -10.362 1.00 0.00 C ATOM 632 C GLY A 39 -0.806 1.942 -11.599 1.00 0.00 C ATOM 633 O GLY A 39 -0.802 0.721 -11.447 1.00 0.00 O ATOM 0 H GLY A 39 -0.748 4.901 -10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.568 2.277 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.958 3.083 -10.193 1.00 0.00 H new ATOM 637 N VAL A 40 -0.716 2.482 -12.818 1.00 0.00 N ATOM 638 CA VAL A 40 -0.489 1.671 -14.014 1.00 0.00 C ATOM 639 C VAL A 40 0.875 0.998 -13.874 1.00 0.00 C ATOM 640 O VAL A 40 0.980 -0.225 -14.015 1.00 0.00 O ATOM 641 CB VAL A 40 -0.603 2.518 -15.300 1.00 0.00 C ATOM 642 CG1 VAL A 40 -0.415 1.641 -16.549 1.00 0.00 C ATOM 643 CG2 VAL A 40 -1.970 3.217 -15.407 1.00 0.00 C ATOM 0 H VAL A 40 -0.798 3.482 -13.001 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.258 0.904 -14.103 1.00 0.00 H new ATOM 0 HB VAL A 40 0.182 3.272 -15.244 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.499 2.259 -17.443 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.570 1.175 -16.521 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.182 0.867 -16.569 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.008 3.802 -16.326 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.762 2.468 -15.421 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.109 3.877 -14.551 1.00 0.00 H new ATOM 653 N ASP A 41 1.902 1.781 -13.538 1.00 0.00 N ATOM 654 CA ASP A 41 3.221 1.255 -13.236 1.00 0.00 C ATOM 655 C ASP A 41 3.133 0.271 -12.070 1.00 0.00 C ATOM 656 O ASP A 41 3.748 -0.780 -12.141 1.00 0.00 O ATOM 657 CB ASP A 41 4.221 2.388 -12.968 1.00 0.00 C ATOM 658 CG ASP A 41 5.662 1.894 -12.812 1.00 0.00 C ATOM 659 OD1 ASP A 41 6.036 0.810 -13.312 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.496 2.630 -12.239 1.00 0.00 O ATOM 0 H ASP A 41 1.836 2.797 -13.470 1.00 0.00 H new ATOM 0 HA ASP A 41 3.595 0.712 -14.104 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.176 3.105 -13.787 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.925 2.919 -12.063 1.00 0.00 H new ATOM 665 N ALA A 42 2.322 0.522 -11.035 1.00 0.00 N ATOM 666 CA ALA A 42 2.204 -0.341 -9.871 1.00 0.00 C ATOM 667 C ALA A 42 1.681 -1.723 -10.249 1.00 0.00 C ATOM 668 O ALA A 42 2.195 -2.725 -9.754 1.00 0.00 O ATOM 669 CB ALA A 42 1.285 0.295 -8.825 1.00 0.00 C ATOM 0 H ALA A 42 1.723 1.346 -10.990 1.00 0.00 H new ATOM 0 HA ALA A 42 3.202 -0.460 -9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.207 -0.364 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.697 1.255 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.295 0.447 -9.255 1.00 0.00 H new ATOM 675 N LEU A 43 0.670 -1.798 -11.116 1.00 0.00 N ATOM 676 CA LEU A 43 0.159 -3.079 -11.582 1.00 0.00 C ATOM 677 C LEU A 43 1.232 -3.791 -12.400 1.00 0.00 C ATOM 678 O LEU A 43 1.441 -4.992 -12.230 1.00 0.00 O ATOM 679 CB LEU A 43 -1.117 -2.882 -12.415 1.00 0.00 C ATOM 680 CG LEU A 43 -1.833 -4.220 -12.695 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.644 -4.685 -11.479 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.756 -4.074 -13.904 1.00 0.00 C ATOM 0 H LEU A 43 0.192 -0.986 -11.507 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.096 -3.695 -10.720 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.795 -2.211 -11.888 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.863 -2.401 -13.360 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.071 -4.971 -12.903 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.136 -5.630 -11.709 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.977 -4.821 -10.627 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.396 -3.935 -11.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.258 -5.023 -14.095 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.501 -3.304 -13.702 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.169 -3.791 -14.778 1.00 0.00 H new ATOM 694 N ASN A 44 1.925 -3.061 -13.280 1.00 0.00 N ATOM 695 CA ASN A 44 2.961 -3.652 -14.116 1.00 0.00 C ATOM 696 C ASN A 44 4.139 -4.155 -13.277 1.00 0.00 C ATOM 697 O ASN A 44 4.620 -5.265 -13.504 1.00 0.00 O ATOM 698 CB ASN A 44 3.434 -2.661 -15.186 1.00 0.00 C ATOM 699 CG ASN A 44 4.250 -3.402 -16.234 1.00 0.00 C ATOM 700 OD1 ASN A 44 3.833 -4.456 -16.713 1.00 0.00 O ATOM 701 ND2 ASN A 44 5.380 -2.879 -16.656 1.00 0.00 N ATOM 0 H ASN A 44 1.783 -2.062 -13.428 1.00 0.00 H new ATOM 0 HA ASN A 44 2.524 -4.514 -14.621 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.577 -2.176 -15.653 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.036 -1.875 -14.729 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.918 -3.347 -17.385 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.719 -2.005 -16.254 1.00 0.00 H new ATOM 708 N LYS A 45 4.559 -3.369 -12.282 1.00 0.00 N ATOM 709 CA LYS A 45 5.521 -3.698 -11.234 1.00 0.00 C ATOM 710 C LYS A 45 5.086 -4.984 -10.555 1.00 0.00 C ATOM 711 O LYS A 45 5.902 -5.890 -10.434 1.00 0.00 O ATOM 712 CB LYS A 45 5.607 -2.554 -10.201 1.00 0.00 C ATOM 713 CG LYS A 45 6.334 -1.298 -10.701 1.00 0.00 C ATOM 714 CD LYS A 45 7.787 -1.191 -10.214 1.00 0.00 C ATOM 715 CE LYS A 45 8.512 0.013 -10.836 1.00 0.00 C ATOM 716 NZ LYS A 45 8.479 -0.011 -12.312 1.00 0.00 N ATOM 0 H LYS A 45 4.208 -2.416 -12.183 1.00 0.00 H new ATOM 0 HA LYS A 45 6.508 -3.830 -11.676 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.597 -2.278 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.116 -2.923 -9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.324 -1.293 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.784 -0.416 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.800 -1.101 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.322 -2.107 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.051 0.935 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.548 0.024 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.079 0.752 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.833 -0.928 -12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.501 0.125 -12.640 1.00 0.00 H new ATOM 730 N LEU A 46 3.823 -5.083 -10.129 1.00 0.00 N ATOM 731 CA LEU A 46 3.319 -6.276 -9.467 1.00 0.00 C ATOM 732 C LEU A 46 3.409 -7.494 -10.368 1.00 0.00 C ATOM 733 O LEU A 46 3.902 -8.532 -9.940 1.00 0.00 O ATOM 734 CB LEU A 46 1.869 -6.078 -8.972 1.00 0.00 C ATOM 735 CG LEU A 46 1.766 -5.917 -7.450 1.00 0.00 C ATOM 736 CD1 LEU A 46 2.287 -7.170 -6.736 1.00 0.00 C ATOM 737 CD2 LEU A 46 2.468 -4.634 -6.987 1.00 0.00 C ATOM 0 H LEU A 46 3.131 -4.341 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 46 3.954 -6.450 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.445 -5.197 -9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.266 -6.932 -9.282 1.00 0.00 H new ATOM 0 HG LEU A 46 0.716 -5.813 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.205 -7.035 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.696 -8.034 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.331 -7.333 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.381 -4.542 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.521 -4.675 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.001 -3.772 -7.463 1.00 0.00 H new ATOM 749 N GLN A 47 2.959 -7.392 -11.618 1.00 0.00 N ATOM 750 CA GLN A 47 3.063 -8.505 -12.555 1.00 0.00 C ATOM 751 C GLN A 47 4.516 -8.822 -12.937 1.00 0.00 C ATOM 752 O GLN A 47 4.771 -9.884 -13.511 1.00 0.00 O ATOM 753 CB GLN A 47 2.174 -8.245 -13.777 1.00 0.00 C ATOM 754 CG GLN A 47 0.677 -8.332 -13.435 1.00 0.00 C ATOM 755 CD GLN A 47 -0.155 -8.643 -14.677 1.00 0.00 C ATOM 756 OE1 GLN A 47 -0.045 -7.977 -15.709 1.00 0.00 O ATOM 757 NE2 GLN A 47 -1.011 -9.648 -14.613 1.00 0.00 N ATOM 0 H GLN A 47 2.522 -6.554 -12.002 1.00 0.00 H new ATOM 0 HA GLN A 47 2.698 -9.403 -12.056 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.396 -7.258 -14.182 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.410 -8.970 -14.556 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.517 -9.105 -12.684 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.346 -7.390 -12.998 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.095 -10.193 -13.755 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.588 -9.879 -15.422 1.00 0.00 H new ATOM 766 N ALA A 48 5.469 -7.958 -12.586 1.00 0.00 N ATOM 767 CA ALA A 48 6.909 -8.105 -12.746 1.00 0.00 C ATOM 768 C ALA A 48 7.599 -8.251 -11.381 1.00 0.00 C ATOM 769 O ALA A 48 8.778 -7.899 -11.244 1.00 0.00 O ATOM 770 CB ALA A 48 7.444 -6.902 -13.533 1.00 0.00 C ATOM 0 H ALA A 48 5.231 -7.068 -12.148 1.00 0.00 H new ATOM 0 HA ALA A 48 7.129 -9.015 -13.305 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.522 -7.000 -13.660 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.966 -6.866 -14.512 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.225 -5.984 -12.988 1.00 0.00 H new ATOM 776 N GLY A 49 6.888 -8.712 -10.351 1.00 0.00 N ATOM 777 CA GLY A 49 7.394 -8.813 -9.000 1.00 0.00 C ATOM 778 C GLY A 49 6.727 -9.956 -8.253 1.00 0.00 C ATOM 779 O GLY A 49 5.625 -10.381 -8.591 1.00 0.00 O ATOM 0 H GLY A 49 5.924 -9.030 -10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.473 -8.969 -9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.218 -7.876 -8.471 1.00 0.00 H new ATOM 783 N GLY A 50 7.350 -10.405 -7.169 1.00 0.00 N ATOM 784 CA GLY A 50 6.699 -11.209 -6.142 1.00 0.00 C ATOM 785 C GLY A 50 6.287 -10.312 -4.976 1.00 0.00 C ATOM 786 O GLY A 50 6.374 -10.753 -3.827 1.00 0.00 O ATOM 0 H GLY A 50 8.334 -10.218 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.824 -11.709 -6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.376 -11.989 -5.793 1.00 0.00 H new ATOM 790 N TYR A 51 5.962 -9.043 -5.254 1.00 0.00 N ATOM 791 CA TYR A 51 5.914 -7.960 -4.281 1.00 0.00 C ATOM 792 C TYR A 51 4.725 -8.181 -3.346 1.00 0.00 C ATOM 793 O TYR A 51 3.625 -7.707 -3.609 1.00 0.00 O ATOM 794 CB TYR A 51 5.833 -6.591 -4.985 1.00 0.00 C ATOM 795 CG TYR A 51 6.929 -6.182 -5.966 1.00 0.00 C ATOM 796 CD1 TYR A 51 8.101 -6.942 -6.180 1.00 0.00 C ATOM 797 CD2 TYR A 51 6.767 -4.969 -6.661 1.00 0.00 C ATOM 798 CE1 TYR A 51 9.096 -6.491 -7.067 1.00 0.00 C ATOM 799 CE2 TYR A 51 7.766 -4.501 -7.528 1.00 0.00 C ATOM 800 CZ TYR A 51 8.927 -5.266 -7.745 1.00 0.00 C ATOM 801 OH TYR A 51 9.862 -4.813 -8.620 1.00 0.00 O ATOM 0 H TYR A 51 5.718 -8.739 -6.196 1.00 0.00 H new ATOM 0 HA TYR A 51 6.831 -7.960 -3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.885 -6.556 -5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.788 -5.827 -4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.234 -7.878 -5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.864 -4.392 -6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.986 -7.081 -7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.644 -3.552 -8.029 1.00 0.00 H new ATOM 0 HH TYR A 51 9.573 -3.953 -8.991 1.00 0.00 H new ATOM 811 N GLY A 52 4.945 -8.912 -2.255 1.00 0.00 N ATOM 812 CA GLY A 52 3.886 -9.436 -1.402 1.00 0.00 C ATOM 813 C GLY A 52 3.170 -8.362 -0.590 1.00 0.00 C ATOM 814 O GLY A 52 2.229 -8.682 0.129 1.00 0.00 O ATOM 0 H GLY A 52 5.881 -9.160 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.157 -9.958 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.311 -10.173 -0.720 1.00 0.00 H new ATOM 818 N PHE A 53 3.604 -7.103 -0.673 1.00 0.00 N ATOM 819 CA PHE A 53 2.975 -5.988 0.002 1.00 0.00 C ATOM 820 C PHE A 53 2.945 -4.788 -0.939 1.00 0.00 C ATOM 821 O PHE A 53 3.963 -4.438 -1.544 1.00 0.00 O ATOM 822 CB PHE A 53 3.725 -5.686 1.297 1.00 0.00 C ATOM 823 CG PHE A 53 2.831 -5.111 2.369 1.00 0.00 C ATOM 824 CD1 PHE A 53 2.272 -3.827 2.222 1.00 0.00 C ATOM 825 CD2 PHE A 53 2.569 -5.861 3.527 1.00 0.00 C ATOM 826 CE1 PHE A 53 1.481 -3.284 3.247 1.00 0.00 C ATOM 827 CE2 PHE A 53 1.821 -5.296 4.568 1.00 0.00 C ATOM 828 CZ PHE A 53 1.289 -4.000 4.435 1.00 0.00 C ATOM 0 H PHE A 53 4.419 -6.834 -1.224 1.00 0.00 H new ATOM 0 HA PHE A 53 1.946 -6.231 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.186 -6.602 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.533 -4.984 1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.452 -3.260 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.943 -6.870 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.021 -2.315 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.652 -5.857 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.733 -3.558 5.249 1.00 0.00 H new ATOM 838 N VAL A 54 1.765 -4.185 -1.071 1.00 0.00 N ATOM 839 CA VAL A 54 1.432 -3.188 -2.084 1.00 0.00 C ATOM 840 C VAL A 54 0.707 -2.047 -1.357 1.00 0.00 C ATOM 841 O VAL A 54 -0.241 -2.288 -0.612 1.00 0.00 O ATOM 842 CB VAL A 54 0.600 -3.890 -3.187 1.00 0.00 C ATOM 843 CG1 VAL A 54 0.367 -3.122 -4.499 1.00 0.00 C ATOM 844 CG2 VAL A 54 1.308 -5.182 -3.602 1.00 0.00 C ATOM 0 H VAL A 54 0.983 -4.387 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 54 2.296 -2.754 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.374 -4.014 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.229 -3.733 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.162 -2.193 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.327 -2.896 -4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.728 -5.682 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.300 -4.946 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.400 -5.840 -2.738 1.00 0.00 H new ATOM 854 N ILE A 55 1.214 -0.822 -1.495 1.00 0.00 N ATOM 855 CA ILE A 55 0.766 0.403 -0.836 1.00 0.00 C ATOM 856 C ILE A 55 0.641 1.459 -1.935 1.00 0.00 C ATOM 857 O ILE A 55 1.535 1.565 -2.782 1.00 0.00 O ATOM 858 CB ILE A 55 1.751 0.809 0.302 1.00 0.00 C ATOM 859 CG1 ILE A 55 2.212 -0.413 1.135 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.204 1.939 1.182 1.00 0.00 C ATOM 861 CD1 ILE A 55 2.932 -0.151 2.468 1.00 0.00 C ATOM 0 H ILE A 55 2.005 -0.648 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.197 0.276 -0.342 1.00 0.00 H new ATOM 0 HB ILE A 55 2.638 1.210 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.334 -1.024 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.875 -1.012 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.931 2.181 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.020 2.821 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.271 1.619 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.192 -1.101 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.840 0.424 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.275 0.411 3.132 1.00 0.00 H new ATOM 873 N SER A 56 -0.451 2.222 -1.959 1.00 0.00 N ATOM 874 CA SER A 56 -0.569 3.335 -2.889 1.00 0.00 C ATOM 875 C SER A 56 -1.478 4.420 -2.331 1.00 0.00 C ATOM 876 O SER A 56 -2.306 4.165 -1.453 1.00 0.00 O ATOM 877 CB SER A 56 -1.083 2.833 -4.250 1.00 0.00 C ATOM 878 OG SER A 56 -2.401 2.314 -4.160 1.00 0.00 O ATOM 0 H SER A 56 -1.258 2.089 -1.349 1.00 0.00 H new ATOM 0 HA SER A 56 0.419 3.774 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.064 3.652 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.414 2.060 -4.628 1.00 0.00 H new ATOM 0 HG SER A 56 -3.046 3.052 -4.188 1.00 0.00 H new ATOM 884 N ASP A 57 -1.389 5.603 -2.923 1.00 0.00 N ATOM 885 CA ASP A 57 -2.426 6.616 -2.826 1.00 0.00 C ATOM 886 C ASP A 57 -3.692 6.172 -3.544 1.00 0.00 C ATOM 887 O ASP A 57 -3.673 5.276 -4.388 1.00 0.00 O ATOM 888 CB ASP A 57 -1.875 7.936 -3.358 1.00 0.00 C ATOM 889 CG ASP A 57 -2.917 8.967 -3.803 1.00 0.00 C ATOM 890 OD1 ASP A 57 -3.801 9.327 -2.988 1.00 0.00 O ATOM 891 OD2 ASP A 57 -2.810 9.442 -4.955 1.00 0.00 O ATOM 0 H ASP A 57 -0.589 5.887 -3.488 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.711 6.762 -1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.255 8.387 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.222 7.720 -4.204 1.00 0.00 H new ATOM 896 N TRP A 58 -4.796 6.811 -3.170 1.00 0.00 N ATOM 897 CA TRP A 58 -6.083 6.745 -3.809 1.00 0.00 C ATOM 898 C TRP A 58 -6.086 7.498 -5.133 1.00 0.00 C ATOM 899 O TRP A 58 -6.416 6.916 -6.161 1.00 0.00 O ATOM 900 CB TRP A 58 -7.121 7.384 -2.886 1.00 0.00 C ATOM 901 CG TRP A 58 -8.504 7.125 -3.364 1.00 0.00 C ATOM 902 CD1 TRP A 58 -9.172 7.758 -4.353 1.00 0.00 C ATOM 903 CD2 TRP A 58 -9.352 6.044 -2.931 1.00 0.00 C ATOM 904 NE1 TRP A 58 -10.395 7.145 -4.541 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.582 6.115 -3.643 1.00 0.00 C ATOM 906 CE3 TRP A 58 -9.166 4.990 -2.022 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.634 5.235 -3.373 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.187 4.065 -1.797 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.425 4.217 -2.428 1.00 0.00 C ATOM 0 H TRP A 58 -4.804 7.427 -2.357 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.317 5.698 -4.004 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -7.004 6.990 -1.876 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.949 8.459 -2.831 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -8.807 8.609 -4.909 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -11.073 7.419 -5.252 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.228 4.895 -1.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.583 5.335 -3.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.020 3.229 -1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.232 3.542 -2.185 1.00 0.00 H new ATOM 920 N ASN A 59 -5.775 8.794 -5.100 1.00 0.00 N ATOM 921 CA ASN A 59 -6.074 9.800 -6.125 1.00 0.00 C ATOM 922 C ASN A 59 -5.177 9.674 -7.361 1.00 0.00 C ATOM 923 O ASN A 59 -5.026 10.625 -8.138 1.00 0.00 O ATOM 924 CB ASN A 59 -5.967 11.200 -5.489 1.00 0.00 C ATOM 925 CG ASN A 59 -7.232 11.619 -4.754 1.00 0.00 C ATOM 926 OD1 ASN A 59 -8.017 10.805 -4.274 1.00 0.00 O ATOM 927 ND2 ASN A 59 -7.450 12.916 -4.635 1.00 0.00 N ATOM 0 H ASN A 59 -5.276 9.197 -4.307 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.089 9.634 -6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.128 11.213 -4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.747 11.931 -6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.277 13.251 -4.141 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.791 13.583 -5.037 1.00 0.00 H new ATOM 934 N MET A 60 -4.565 8.512 -7.541 1.00 0.00 N ATOM 935 CA MET A 60 -3.537 8.235 -8.512 1.00 0.00 C ATOM 936 C MET A 60 -4.142 8.460 -9.903 1.00 0.00 C ATOM 937 O MET A 60 -5.240 7.960 -10.156 1.00 0.00 O ATOM 938 CB MET A 60 -3.092 6.792 -8.261 1.00 0.00 C ATOM 939 CG MET A 60 -1.791 6.423 -8.957 1.00 0.00 C ATOM 940 SD MET A 60 -0.453 5.986 -7.816 1.00 0.00 S ATOM 941 CE MET A 60 -0.214 7.576 -6.979 1.00 0.00 C ATOM 0 H MET A 60 -4.793 7.694 -6.975 1.00 0.00 H new ATOM 0 HA MET A 60 -2.662 8.881 -8.438 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.976 6.638 -7.188 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.878 6.115 -8.597 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.973 5.583 -9.628 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.470 7.261 -9.576 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.556 7.473 -6.214 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.095 8.327 -7.706 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.149 7.886 -6.513 1.00 0.00 H new ATOM 951 N PRO A 61 -3.504 9.241 -10.794 1.00 0.00 N ATOM 952 CA PRO A 61 -4.066 9.467 -12.116 1.00 0.00 C ATOM 953 C PRO A 61 -4.097 8.144 -12.889 1.00 0.00 C ATOM 954 O PRO A 61 -3.288 7.248 -12.629 1.00 0.00 O ATOM 955 CB PRO A 61 -3.171 10.521 -12.776 1.00 0.00 C ATOM 956 CG PRO A 61 -1.832 10.359 -12.056 1.00 0.00 C ATOM 957 CD PRO A 61 -2.226 9.921 -10.648 1.00 0.00 C ATOM 0 HA PRO A 61 -5.095 9.825 -12.088 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.073 10.349 -13.848 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.575 11.526 -12.650 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.202 9.615 -12.545 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.270 11.293 -12.042 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.475 9.257 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.312 10.778 -9.980 1.00 0.00 H new ATOM 965 N ASN A 62 -4.962 8.056 -13.898 1.00 0.00 N ATOM 966 CA ASN A 62 -5.221 6.852 -14.684 1.00 0.00 C ATOM 967 C ASN A 62 -5.817 5.764 -13.792 1.00 0.00 C ATOM 968 O ASN A 62 -7.033 5.714 -13.609 1.00 0.00 O ATOM 969 CB ASN A 62 -3.971 6.405 -15.468 1.00 0.00 C ATOM 970 CG ASN A 62 -4.318 5.468 -16.610 1.00 0.00 C ATOM 971 OD1 ASN A 62 -4.886 4.398 -16.411 1.00 0.00 O ATOM 972 ND2 ASN A 62 -3.946 5.828 -17.821 1.00 0.00 N ATOM 0 H ASN A 62 -5.523 8.852 -14.202 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.966 7.074 -15.448 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.458 7.282 -15.863 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.277 5.908 -14.790 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.129 5.214 -18.614 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.475 6.721 -17.965 1.00 0.00 H new ATOM 979 N MET A 63 -4.982 4.894 -13.243 1.00 0.00 N ATOM 980 CA MET A 63 -5.384 3.849 -12.329 1.00 0.00 C ATOM 981 C MET A 63 -5.288 4.377 -10.904 1.00 0.00 C ATOM 982 O MET A 63 -4.229 4.250 -10.279 1.00 0.00 O ATOM 983 CB MET A 63 -4.561 2.590 -12.597 1.00 0.00 C ATOM 984 CG MET A 63 -5.029 1.384 -11.765 1.00 0.00 C ATOM 985 SD MET A 63 -5.206 -0.186 -12.667 1.00 0.00 S ATOM 986 CE MET A 63 -3.591 -0.290 -13.475 1.00 0.00 C ATOM 0 H MET A 63 -3.979 4.901 -13.430 1.00 0.00 H new ATOM 0 HA MET A 63 -6.424 3.559 -12.480 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.622 2.340 -13.656 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.513 2.793 -12.377 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.322 1.234 -10.949 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.990 1.631 -11.313 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.527 -1.219 -14.041 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.467 0.556 -14.151 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.805 -0.270 -12.720 1.00 0.00 H new ATOM 996 N ASP A 64 -6.388 4.940 -10.395 1.00 0.00 N ATOM 997 CA ASP A 64 -6.562 5.284 -8.979 1.00 0.00 C ATOM 998 C ASP A 64 -6.192 4.070 -8.121 1.00 0.00 C ATOM 999 O ASP A 64 -6.374 2.928 -8.546 1.00 0.00 O ATOM 1000 CB ASP A 64 -8.013 5.693 -8.682 1.00 0.00 C ATOM 1001 CG ASP A 64 -8.430 7.079 -9.189 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -8.619 7.261 -10.418 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -8.769 7.947 -8.352 1.00 0.00 O ATOM 0 H ASP A 64 -7.199 5.174 -10.967 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.914 6.128 -8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.678 4.950 -9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.167 5.659 -7.603 1.00 0.00 H new ATOM 1008 N GLY A 65 -5.762 4.276 -6.879 1.00 0.00 N ATOM 1009 CA GLY A 65 -5.411 3.191 -5.967 1.00 0.00 C ATOM 1010 C GLY A 65 -6.564 2.222 -5.745 1.00 0.00 C ATOM 1011 O GLY A 65 -6.336 1.027 -5.559 1.00 0.00 O ATOM 0 H GLY A 65 -5.647 5.205 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.555 2.647 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.103 3.611 -5.009 1.00 0.00 H new ATOM 1015 N LEU A 66 -7.806 2.714 -5.796 1.00 0.00 N ATOM 1016 CA LEU A 66 -8.982 1.863 -5.668 1.00 0.00 C ATOM 1017 C LEU A 66 -9.127 0.957 -6.890 1.00 0.00 C ATOM 1018 O LEU A 66 -9.498 -0.206 -6.759 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.227 2.738 -5.433 1.00 0.00 C ATOM 1020 CG LEU A 66 -11.443 2.030 -4.812 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -12.362 1.286 -5.759 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -11.067 1.053 -3.702 1.00 0.00 C ATOM 0 H LEU A 66 -8.018 3.703 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.869 1.206 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.946 3.568 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.530 3.167 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.993 2.888 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.177 0.833 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.771 1.982 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.800 0.506 -6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.969 0.587 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.407 0.283 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.555 1.589 -2.903 1.00 0.00 H new ATOM 1034 N GLU A 67 -8.797 1.465 -8.076 1.00 0.00 N ATOM 1035 CA GLU A 67 -8.820 0.711 -9.320 1.00 0.00 C ATOM 1036 C GLU A 67 -7.675 -0.303 -9.325 1.00 0.00 C ATOM 1037 O GLU A 67 -7.889 -1.455 -9.702 1.00 0.00 O ATOM 1038 CB GLU A 67 -8.714 1.673 -10.515 1.00 0.00 C ATOM 1039 CG GLU A 67 -9.881 2.659 -10.624 1.00 0.00 C ATOM 1040 CD GLU A 67 -11.133 1.992 -11.190 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -11.785 1.192 -10.481 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -11.425 2.201 -12.393 1.00 0.00 O ATOM 0 H GLU A 67 -8.500 2.433 -8.197 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.761 0.168 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.783 2.234 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.657 1.090 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.102 3.072 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.593 3.494 -11.263 1.00 0.00 H new ATOM 1049 N LEU A 68 -6.482 0.087 -8.860 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.332 -0.799 -8.677 1.00 0.00 C ATOM 1051 C LEU A 68 -5.723 -1.959 -7.760 1.00 0.00 C ATOM 1052 O LEU A 68 -5.520 -3.117 -8.120 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.147 -0.001 -8.100 1.00 0.00 C ATOM 1054 CG LEU A 68 -2.886 -0.842 -7.814 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.230 -1.365 -9.097 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -1.875 0.018 -7.049 1.00 0.00 C ATOM 0 H LEU A 68 -6.287 1.052 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.024 -1.212 -9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.887 0.794 -8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.465 0.479 -7.175 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.191 -1.706 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.347 -1.951 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.938 -1.993 -9.638 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.938 -0.524 -9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.980 -0.569 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.608 0.887 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.316 0.349 -6.109 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.325 -1.647 -6.605 1.00 0.00 N ATOM 1069 CA LEU A 69 -6.887 -2.613 -5.668 1.00 0.00 C ATOM 1070 C LEU A 69 -7.837 -3.527 -6.417 1.00 0.00 C ATOM 1071 O LEU A 69 -7.584 -4.722 -6.455 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.550 -1.891 -4.475 1.00 0.00 C ATOM 1073 CG LEU A 69 -8.745 -2.560 -3.762 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.662 -4.028 -3.314 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -9.034 -1.760 -2.491 1.00 0.00 C ATOM 0 H LEU A 69 -6.435 -0.682 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.099 -3.233 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.777 -1.716 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.882 -0.914 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.503 -2.562 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.597 -4.315 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.490 -4.664 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.840 -4.147 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.876 -2.208 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.155 -1.770 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.278 -0.731 -2.756 1.00 0.00 H new ATOM 1087 N LYS A 70 -8.913 -3.019 -7.017 1.00 0.00 N ATOM 1088 CA LYS A 70 -9.921 -3.894 -7.623 1.00 0.00 C ATOM 1089 C LYS A 70 -9.354 -4.726 -8.772 1.00 0.00 C ATOM 1090 O LYS A 70 -9.867 -5.819 -9.031 1.00 0.00 O ATOM 1091 CB LYS A 70 -11.114 -3.079 -8.114 1.00 0.00 C ATOM 1092 CG LYS A 70 -11.953 -2.505 -6.966 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.119 -1.701 -7.562 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.160 -1.273 -6.521 1.00 0.00 C ATOM 1095 NZ LYS A 70 -15.123 -0.305 -7.089 1.00 0.00 N ATOM 0 H LYS A 70 -9.110 -2.021 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.247 -4.585 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.757 -2.262 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.746 -3.709 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.332 -3.310 -6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.339 -1.866 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.723 -0.813 -8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.609 -2.300 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.695 -2.150 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.657 -0.828 -5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.814 -0.035 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.614 0.541 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.619 -0.740 -7.893 1.00 0.00 H new ATOM 1109 N THR A 71 -8.323 -4.244 -9.457 1.00 0.00 N ATOM 1110 CA THR A 71 -7.593 -5.004 -10.455 1.00 0.00 C ATOM 1111 C THR A 71 -6.897 -6.189 -9.774 1.00 0.00 C ATOM 1112 O THR A 71 -7.184 -7.335 -10.113 1.00 0.00 O ATOM 1113 CB THR A 71 -6.690 -4.048 -11.246 1.00 0.00 C ATOM 1114 OG1 THR A 71 -7.499 -3.030 -11.814 1.00 0.00 O ATOM 1115 CG2 THR A 71 -6.008 -4.741 -12.417 1.00 0.00 C ATOM 0 H THR A 71 -7.968 -3.296 -9.329 1.00 0.00 H new ATOM 0 HA THR A 71 -8.246 -5.457 -11.201 1.00 0.00 H new ATOM 0 HB THR A 71 -5.939 -3.667 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.512 -2.252 -11.218 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.380 -4.026 -12.947 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.392 -5.560 -12.046 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.764 -5.134 -13.097 1.00 0.00 H new ATOM 1123 N ILE A 72 -6.074 -5.934 -8.755 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.378 -6.944 -7.956 1.00 0.00 C ATOM 1125 C ILE A 72 -6.370 -7.910 -7.281 1.00 0.00 C ATOM 1126 O ILE A 72 -6.104 -9.105 -7.168 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.431 -6.184 -6.979 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.133 -5.773 -7.726 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -4.118 -6.985 -5.714 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -2.113 -4.939 -6.924 1.00 0.00 C ATOM 0 H ILE A 72 -5.866 -4.982 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.767 -7.601 -8.576 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.951 -5.287 -6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.636 -6.680 -8.071 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.415 -5.206 -8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.455 -6.406 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.044 -7.199 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.632 -7.922 -5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.251 -4.715 -7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.578 -4.008 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.788 -5.504 -6.051 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.529 -7.422 -6.838 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.541 -8.233 -6.170 1.00 0.00 C ATOM 1144 C ARG A 73 -9.230 -9.176 -7.151 1.00 0.00 C ATOM 1145 O ARG A 73 -9.750 -10.200 -6.717 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.536 -7.323 -5.416 1.00 0.00 C ATOM 1147 CG ARG A 73 -9.792 -7.805 -3.974 1.00 0.00 C ATOM 1148 CD ARG A 73 -10.860 -8.906 -3.854 1.00 0.00 C ATOM 1149 NE ARG A 73 -12.105 -8.388 -3.258 1.00 0.00 N ATOM 1150 CZ ARG A 73 -12.496 -8.499 -1.982 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -11.769 -9.148 -1.076 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -13.638 -7.935 -1.611 1.00 0.00 N ATOM 0 H ARG A 73 -7.792 -6.441 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.056 -8.869 -5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.148 -6.305 -5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.480 -7.292 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.856 -8.176 -3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.096 -6.952 -3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.072 -9.318 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.475 -9.723 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.737 -7.891 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.885 -9.579 -1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.096 -9.214 -0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.202 -7.428 -2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.953 -8.009 -0.644 1.00 0.00 H new ATOM 1166 N ALA A 74 -9.212 -8.894 -8.459 1.00 0.00 N ATOM 1167 CA ALA A 74 -9.693 -9.817 -9.480 1.00 0.00 C ATOM 1168 C ALA A 74 -8.605 -10.841 -9.819 1.00 0.00 C ATOM 1169 O ALA A 74 -8.277 -11.064 -10.985 1.00 0.00 O ATOM 1170 CB ALA A 74 -10.188 -9.051 -10.705 1.00 0.00 C ATOM 0 H ALA A 74 -8.861 -8.013 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.547 -10.373 -9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.543 -9.756 -11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.004 -8.389 -10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.371 -8.460 -11.119 1.00 0.00 H new ATOM 1176 N ASP A 75 -8.084 -11.495 -8.790 1.00 0.00 N ATOM 1177 CA ASP A 75 -7.198 -12.644 -8.847 1.00 0.00 C ATOM 1178 C ASP A 75 -5.890 -12.323 -9.557 1.00 0.00 C ATOM 1179 O ASP A 75 -5.118 -11.519 -9.047 1.00 0.00 O ATOM 1180 CB ASP A 75 -7.902 -13.913 -9.361 1.00 0.00 C ATOM 1181 CG ASP A 75 -8.991 -14.391 -8.417 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -8.672 -15.151 -7.472 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -10.169 -14.041 -8.644 1.00 0.00 O ATOM 0 H ASP A 75 -8.284 -11.216 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.917 -12.884 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.336 -13.713 -10.341 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.166 -14.706 -9.494 1.00 0.00 H new ATOM 1188 N GLY A 76 -5.540 -13.019 -10.641 1.00 0.00 N ATOM 1189 CA GLY A 76 -4.152 -13.088 -11.084 1.00 0.00 C ATOM 1190 C GLY A 76 -3.264 -13.742 -10.016 1.00 0.00 C ATOM 1191 O GLY A 76 -2.047 -13.566 -10.057 1.00 0.00 O ATOM 0 H GLY A 76 -6.197 -13.539 -11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.091 -13.658 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.786 -12.085 -11.301 1.00 0.00 H new ATOM 1195 N ALA A 77 -3.862 -14.466 -9.055 1.00 0.00 N ATOM 1196 CA ALA A 77 -3.320 -14.923 -7.773 1.00 0.00 C ATOM 1197 C ALA A 77 -3.041 -13.785 -6.774 1.00 0.00 C ATOM 1198 O ALA A 77 -2.507 -14.033 -5.689 1.00 0.00 O ATOM 1199 CB ALA A 77 -2.087 -15.809 -7.974 1.00 0.00 C ATOM 0 H ALA A 77 -4.828 -14.773 -9.171 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.106 -15.525 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.709 -16.132 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.359 -16.683 -8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.314 -15.244 -8.495 1.00 0.00 H new ATOM 1205 N MET A 78 -3.356 -12.534 -7.114 1.00 0.00 N ATOM 1206 CA MET A 78 -2.936 -11.350 -6.377 1.00 0.00 C ATOM 1207 C MET A 78 -3.953 -10.891 -5.334 1.00 0.00 C ATOM 1208 O MET A 78 -3.642 -9.987 -4.564 1.00 0.00 O ATOM 1209 CB MET A 78 -2.596 -10.222 -7.360 1.00 0.00 C ATOM 1210 CG MET A 78 -1.434 -10.602 -8.277 1.00 0.00 C ATOM 1211 SD MET A 78 -0.776 -9.218 -9.238 1.00 0.00 S ATOM 1212 CE MET A 78 0.748 -10.001 -9.822 1.00 0.00 C ATOM 0 H MET A 78 -3.925 -12.315 -7.932 1.00 0.00 H new ATOM 0 HA MET A 78 -2.044 -11.621 -5.812 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.474 -9.988 -7.963 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.341 -9.320 -6.804 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.632 -11.027 -7.674 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.765 -11.383 -8.962 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.295 -9.304 -10.457 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.366 -10.276 -8.968 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.501 -10.895 -10.394 1.00 0.00 H new ATOM 1222 N SER A 79 -5.123 -11.525 -5.214 1.00 0.00 N ATOM 1223 CA SER A 79 -6.132 -11.100 -4.243 1.00 0.00 C ATOM 1224 C SER A 79 -5.617 -11.185 -2.792 1.00 0.00 C ATOM 1225 O SER A 79 -6.128 -10.494 -1.909 1.00 0.00 O ATOM 1226 CB SER A 79 -7.407 -11.925 -4.448 1.00 0.00 C ATOM 1227 OG SER A 79 -8.479 -11.428 -3.671 1.00 0.00 O ATOM 0 H SER A 79 -5.393 -12.332 -5.776 1.00 0.00 H new ATOM 0 HA SER A 79 -6.360 -10.048 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.684 -11.912 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.215 -12.964 -4.182 1.00 0.00 H new ATOM 0 HG SER A 79 -9.277 -11.975 -3.826 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.580 -11.989 -2.534 1.00 0.00 N ATOM 1234 CA ALA A 80 -3.907 -12.094 -1.243 1.00 0.00 C ATOM 1235 C ALA A 80 -2.990 -10.900 -0.921 1.00 0.00 C ATOM 1236 O ALA A 80 -2.353 -10.898 0.134 1.00 0.00 O ATOM 1237 CB ALA A 80 -3.095 -13.390 -1.242 1.00 0.00 C ATOM 0 H ALA A 80 -4.176 -12.602 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.672 -12.094 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.580 -13.496 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.763 -14.238 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.362 -13.361 -2.048 1.00 0.00 H new ATOM 1243 N LEU A 81 -2.843 -9.917 -1.813 1.00 0.00 N ATOM 1244 CA LEU A 81 -1.990 -8.758 -1.576 1.00 0.00 C ATOM 1245 C LEU A 81 -2.724 -7.760 -0.687 1.00 0.00 C ATOM 1246 O LEU A 81 -3.854 -7.383 -1.010 1.00 0.00 O ATOM 1247 CB LEU A 81 -1.633 -8.058 -2.888 1.00 0.00 C ATOM 1248 CG LEU A 81 -0.666 -8.866 -3.764 1.00 0.00 C ATOM 1249 CD1 LEU A 81 -0.513 -8.132 -5.092 1.00 0.00 C ATOM 1250 CD2 LEU A 81 0.698 -9.032 -3.082 1.00 0.00 C ATOM 0 H LEU A 81 -3.313 -9.906 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.076 -9.107 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.547 -7.866 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.187 -7.089 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.066 -9.867 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.171 -8.685 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.485 -8.052 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.115 -7.134 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.360 -9.609 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.135 -8.050 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.570 -9.555 -2.134 1.00 0.00 H new ATOM 1262 N PRO A 82 -2.113 -7.270 0.401 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.747 -6.333 1.314 1.00 0.00 C ATOM 1264 C PRO A 82 -2.700 -4.888 0.780 1.00 0.00 C ATOM 1265 O PRO A 82 -2.196 -4.011 1.476 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.976 -6.524 2.625 1.00 0.00 C ATOM 1267 CG PRO A 82 -0.557 -6.816 2.147 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.801 -7.658 0.900 1.00 0.00 C ATOM 0 HA PRO A 82 -3.813 -6.518 1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.016 -5.632 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.381 -7.346 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.008 -5.902 1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.021 -7.357 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.030 -7.477 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.773 -8.722 1.136 1.00 0.00 H new ATOM 1276 N VAL A 83 -3.253 -4.631 -0.409 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.348 -3.312 -1.050 1.00 0.00 C ATOM 1278 C VAL A 83 -3.862 -2.253 -0.060 1.00 0.00 C ATOM 1279 O VAL A 83 -5.024 -2.301 0.361 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.194 -3.382 -2.337 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -3.375 -3.952 -3.503 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.480 -4.202 -2.191 1.00 0.00 C ATOM 0 H VAL A 83 -3.666 -5.369 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.347 -3.001 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.485 -2.351 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.995 -3.991 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.511 -3.313 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.036 -4.957 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.020 -4.204 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.229 -5.226 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.107 -3.760 -1.417 1.00 0.00 H new ATOM 1292 N LEU A 84 -2.967 -1.359 0.363 1.00 0.00 N ATOM 1293 CA LEU A 84 -3.126 -0.465 1.506 1.00 0.00 C ATOM 1294 C LEU A 84 -3.211 0.970 1.002 1.00 0.00 C ATOM 1295 O LEU A 84 -2.286 1.443 0.342 1.00 0.00 O ATOM 1296 CB LEU A 84 -1.937 -0.681 2.461 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.941 0.195 3.727 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -3.249 0.121 4.520 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.787 -0.244 4.636 1.00 0.00 C ATOM 0 H LEU A 84 -2.070 -1.234 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.044 -0.676 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.921 -1.728 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.014 -0.494 1.913 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.828 1.228 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.179 0.763 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.075 0.454 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.425 -0.907 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.780 0.370 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.918 -1.290 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.159 -0.124 4.107 1.00 0.00 H new ATOM 1311 N MET A 85 -4.332 1.644 1.281 1.00 0.00 N ATOM 1312 CA MET A 85 -4.561 3.004 0.796 1.00 0.00 C ATOM 1313 C MET A 85 -3.862 3.984 1.747 1.00 0.00 C ATOM 1314 O MET A 85 -4.211 4.010 2.930 1.00 0.00 O ATOM 1315 CB MET A 85 -6.072 3.286 0.699 1.00 0.00 C ATOM 1316 CG MET A 85 -6.874 2.274 -0.139 1.00 0.00 C ATOM 1317 SD MET A 85 -6.610 2.279 -1.939 1.00 0.00 S ATOM 1318 CE MET A 85 -5.185 1.168 -2.125 1.00 0.00 C ATOM 0 H MET A 85 -5.095 1.266 1.842 1.00 0.00 H new ATOM 0 HA MET A 85 -4.146 3.126 -0.204 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.487 3.309 1.707 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.214 4.279 0.273 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.646 1.275 0.232 1.00 0.00 H new ATOM 0 HG3 MET A 85 -7.934 2.449 0.046 1.00 0.00 H new ATOM 0 HE1 MET A 85 -5.275 0.614 -3.059 1.00 0.00 H new ATOM 0 HE2 MET A 85 -4.266 1.754 -2.138 1.00 0.00 H new ATOM 0 HE3 MET A 85 -5.158 0.468 -1.290 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.892 4.772 1.271 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.107 5.720 2.066 1.00 0.00 C ATOM 1330 C VAL A 86 -2.075 7.061 1.329 1.00 0.00 C ATOM 1331 O VAL A 86 -1.501 7.165 0.249 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.691 5.173 2.348 1.00 0.00 C ATOM 1333 CG1 VAL A 86 0.088 6.128 3.262 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.745 3.804 3.038 1.00 0.00 C ATOM 0 H VAL A 86 -2.623 4.766 0.287 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.573 5.865 3.041 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.194 5.079 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.083 5.723 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.177 7.102 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.441 6.239 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.269 3.449 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.275 3.895 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.268 3.094 2.397 1.00 0.00 H new ATOM 1344 N THR A 87 -2.747 8.079 1.868 1.00 0.00 N ATOM 1345 CA THR A 87 -3.016 9.309 1.128 1.00 0.00 C ATOM 1346 C THR A 87 -3.282 10.469 2.097 1.00 0.00 C ATOM 1347 O THR A 87 -3.472 10.274 3.303 1.00 0.00 O ATOM 1348 CB THR A 87 -4.197 9.023 0.167 1.00 0.00 C ATOM 1349 OG1 THR A 87 -4.546 10.148 -0.612 1.00 0.00 O ATOM 1350 CG2 THR A 87 -5.454 8.519 0.893 1.00 0.00 C ATOM 0 H THR A 87 -3.116 8.074 2.819 1.00 0.00 H new ATOM 0 HA THR A 87 -2.156 9.619 0.535 1.00 0.00 H new ATOM 0 HB THR A 87 -3.831 8.232 -0.488 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.072 10.112 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.246 8.337 0.166 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.224 7.592 1.419 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.786 9.270 1.610 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.336 11.696 1.578 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.960 12.821 2.258 1.00 0.00 C ATOM 1360 C ALA A 88 -5.487 12.693 2.307 1.00 0.00 C ATOM 1361 O ALA A 88 -6.118 13.345 3.138 1.00 0.00 O ATOM 1362 CB ALA A 88 -3.596 14.118 1.528 1.00 0.00 C ATOM 0 H ALA A 88 -2.944 11.934 0.667 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.589 12.832 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.062 14.964 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.513 14.245 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.954 14.069 0.499 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.100 11.930 1.405 1.00 0.00 N ATOM 1369 CA GLU A 89 -7.539 11.946 1.177 1.00 0.00 C ATOM 1370 C GLU A 89 -8.287 11.101 2.197 1.00 0.00 C ATOM 1371 O GLU A 89 -8.176 9.878 2.170 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.815 11.437 -0.242 1.00 0.00 C ATOM 1373 CG GLU A 89 -7.514 12.546 -1.251 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.693 13.505 -1.426 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -9.500 13.688 -0.485 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.835 14.131 -2.500 1.00 0.00 O ATOM 0 H GLU A 89 -5.601 11.274 0.804 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.898 12.969 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.199 10.563 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.855 11.123 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.638 13.106 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.264 12.101 -2.214 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.072 11.733 3.075 1.00 0.00 N ATOM 1384 CA ALA A 90 -10.124 11.039 3.808 1.00 0.00 C ATOM 1385 C ALA A 90 -11.195 10.626 2.805 1.00 0.00 C ATOM 1386 O ALA A 90 -11.103 9.532 2.267 1.00 0.00 O ATOM 1387 CB ALA A 90 -10.649 11.907 4.962 1.00 0.00 C ATOM 0 H ALA A 90 -8.995 12.727 3.293 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.746 10.137 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.433 11.369 5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.833 12.132 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.054 12.837 4.563 1.00 0.00 H new ATOM 1393 N LYS A 91 -12.174 11.498 2.538 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.384 11.196 1.779 1.00 0.00 C ATOM 1395 C LYS A 91 -14.064 9.924 2.302 1.00 0.00 C ATOM 1396 O LYS A 91 -13.731 8.802 1.925 1.00 0.00 O ATOM 1397 CB LYS A 91 -13.069 11.150 0.270 1.00 0.00 C ATOM 1398 CG LYS A 91 -14.325 11.093 -0.621 1.00 0.00 C ATOM 1399 CD LYS A 91 -14.788 12.458 -1.153 1.00 0.00 C ATOM 1400 CE LYS A 91 -14.935 13.494 -0.037 1.00 0.00 C ATOM 1401 NZ LYS A 91 -15.567 14.745 -0.494 1.00 0.00 N ATOM 0 H LYS A 91 -12.140 12.466 2.857 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.109 11.997 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.484 12.030 0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.447 10.279 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.126 10.435 -1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.139 10.643 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -14.072 12.820 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.743 12.341 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.529 13.068 0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.951 13.719 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.640 15.408 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.989 15.171 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.518 14.539 -0.862 1.00 0.00 H new ATOM 1415 N LYS A 92 -15.098 10.102 3.127 1.00 0.00 N ATOM 1416 CA LYS A 92 -15.958 9.006 3.576 1.00 0.00 C ATOM 1417 C LYS A 92 -16.276 8.034 2.441 1.00 0.00 C ATOM 1418 O LYS A 92 -16.098 6.838 2.618 1.00 0.00 O ATOM 1419 CB LYS A 92 -17.268 9.568 4.139 1.00 0.00 C ATOM 1420 CG LYS A 92 -17.159 10.091 5.573 1.00 0.00 C ATOM 1421 CD LYS A 92 -18.487 10.746 5.972 1.00 0.00 C ATOM 1422 CE LYS A 92 -18.700 10.652 7.484 1.00 0.00 C ATOM 1423 NZ LYS A 92 -20.092 10.959 7.853 1.00 0.00 N ATOM 0 H LYS A 92 -15.363 11.012 3.503 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.418 8.462 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -17.611 10.377 3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -18.029 8.789 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.924 9.273 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.346 10.813 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.491 11.791 5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -19.311 10.257 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.444 9.649 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -18.027 11.344 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -20.202 10.886 8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -20.327 11.925 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.731 10.283 7.388 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.698 8.528 1.278 1.00 0.00 N ATOM 1438 CA GLU A 93 -17.004 7.677 0.135 1.00 0.00 C ATOM 1439 C GLU A 93 -15.808 6.831 -0.318 1.00 0.00 C ATOM 1440 O GLU A 93 -16.000 5.668 -0.661 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.507 8.561 -1.008 1.00 0.00 C ATOM 1442 CG GLU A 93 -17.964 7.736 -2.217 1.00 0.00 C ATOM 1443 CD GLU A 93 -18.864 8.503 -3.184 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -19.024 9.744 -3.058 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -19.456 7.827 -4.056 1.00 0.00 O ATOM 0 H GLU A 93 -16.836 9.524 1.104 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.774 6.967 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.336 9.174 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.714 9.243 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.085 7.382 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -18.497 6.854 -1.862 1.00 0.00 H new ATOM 1452 N ASN A 94 -14.582 7.367 -0.281 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.379 6.569 -0.523 1.00 0.00 C ATOM 1454 C ASN A 94 -13.291 5.459 0.510 1.00 0.00 C ATOM 1455 O ASN A 94 -12.991 4.327 0.145 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.060 7.354 -0.448 1.00 0.00 C ATOM 1457 CG ASN A 94 -11.762 8.282 -1.603 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -12.574 8.475 -2.505 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -10.574 8.861 -1.605 1.00 0.00 N ATOM 0 H ASN A 94 -14.399 8.351 -0.085 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.487 6.198 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.064 7.942 0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.242 6.639 -0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.312 9.485 -2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.919 8.683 -0.844 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.547 5.747 1.793 1.00 0.00 N ATOM 1467 CA ILE A 95 -13.471 4.694 2.815 1.00 0.00 C ATOM 1468 C ILE A 95 -14.494 3.592 2.455 1.00 0.00 C ATOM 1469 O ILE A 95 -14.154 2.406 2.530 1.00 0.00 O ATOM 1470 CB ILE A 95 -13.666 5.254 4.251 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -12.395 5.943 4.799 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -13.958 4.104 5.244 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -12.184 7.355 4.241 1.00 0.00 C ATOM 0 H ILE A 95 -13.801 6.671 2.141 1.00 0.00 H new ATOM 0 HA ILE A 95 -12.471 4.260 2.820 1.00 0.00 H new ATOM 0 HB ILE A 95 -14.487 5.966 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.458 5.995 5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.526 5.331 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -14.092 4.513 6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -14.866 3.583 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.122 3.405 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.275 7.782 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.090 7.307 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.036 7.981 4.504 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.725 3.955 2.052 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.733 2.993 1.599 1.00 0.00 C ATOM 1487 C ILE A 96 -16.143 2.184 0.448 1.00 0.00 C ATOM 1488 O ILE A 96 -16.081 0.962 0.554 1.00 0.00 O ATOM 1489 CB ILE A 96 -18.097 3.646 1.226 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -18.959 3.947 2.473 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -18.948 2.735 0.319 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -18.548 5.211 3.219 1.00 0.00 C ATOM 0 H ILE A 96 -16.044 4.924 2.033 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.975 2.331 2.430 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.832 4.568 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -20.001 4.040 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.901 3.099 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.890 3.232 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.406 2.532 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.151 1.796 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.200 5.353 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.516 5.115 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.634 6.070 2.554 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.716 2.841 -0.632 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.210 2.189 -1.827 1.00 0.00 C ATOM 1506 C ALA A 97 -14.062 1.236 -1.489 1.00 0.00 C ATOM 1507 O ALA A 97 -14.028 0.126 -2.012 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.789 3.246 -2.849 1.00 0.00 C ATOM 0 H ALA A 97 -15.715 3.859 -0.695 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.003 1.584 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.410 2.755 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.649 3.863 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.008 3.875 -2.421 1.00 0.00 H new ATOM 1514 N ALA A 98 -13.151 1.629 -0.596 1.00 0.00 N ATOM 1515 CA ALA A 98 -12.026 0.811 -0.165 1.00 0.00 C ATOM 1516 C ALA A 98 -12.531 -0.471 0.486 1.00 0.00 C ATOM 1517 O ALA A 98 -12.045 -1.563 0.195 1.00 0.00 O ATOM 1518 CB ALA A 98 -11.166 1.577 0.851 1.00 0.00 C ATOM 0 H ALA A 98 -13.179 2.544 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.425 0.569 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.329 0.952 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.786 2.489 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.772 1.834 1.720 1.00 0.00 H new ATOM 1524 N ALA A 99 -13.478 -0.339 1.415 1.00 0.00 N ATOM 1525 CA ALA A 99 -14.027 -1.466 2.146 1.00 0.00 C ATOM 1526 C ALA A 99 -14.859 -2.370 1.227 1.00 0.00 C ATOM 1527 O ALA A 99 -14.798 -3.592 1.354 1.00 0.00 O ATOM 1528 CB ALA A 99 -14.834 -0.916 3.326 1.00 0.00 C ATOM 0 H ALA A 99 -13.883 0.559 1.678 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.227 -2.099 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.259 -1.744 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.180 -0.330 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.638 -0.282 2.953 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.590 -1.786 0.278 1.00 0.00 N ATOM 1535 CA GLN A 100 -16.334 -2.476 -0.768 1.00 0.00 C ATOM 1536 C GLN A 100 -15.387 -3.291 -1.650 1.00 0.00 C ATOM 1537 O GLN A 100 -15.616 -4.482 -1.866 1.00 0.00 O ATOM 1538 CB GLN A 100 -17.102 -1.438 -1.604 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.345 -0.887 -0.892 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.457 -1.929 -0.830 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -20.005 -2.328 -1.858 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -19.816 -2.405 0.347 1.00 0.00 N ATOM 0 H GLN A 100 -15.682 -0.772 0.217 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.044 -3.169 -0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.434 -0.611 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.404 -1.893 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.080 -0.575 0.118 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.703 -0.001 -1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.357 -2.070 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.552 -3.108 0.410 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.317 -2.672 -2.158 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.320 -3.347 -2.960 1.00 0.00 C ATOM 1553 C ALA A 101 -12.572 -4.424 -2.168 1.00 0.00 C ATOM 1554 O ALA A 101 -12.154 -5.412 -2.764 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.342 -2.300 -3.470 1.00 0.00 C ATOM 0 H ALA A 101 -14.127 -1.680 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.817 -3.855 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.578 -2.782 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.877 -1.566 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.870 -1.800 -2.624 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.420 -4.247 -0.852 1.00 0.00 N ATOM 1562 CA GLY A 102 -11.780 -5.202 0.041 1.00 0.00 C ATOM 1563 C GLY A 102 -10.330 -4.839 0.355 1.00 0.00 C ATOM 1564 O GLY A 102 -9.508 -5.741 0.499 1.00 0.00 O ATOM 0 H GLY A 102 -12.750 -3.410 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.345 -5.258 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.812 -6.193 -0.411 1.00 0.00 H new ATOM 1568 N ALA A 103 -9.990 -3.547 0.463 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.614 -3.118 0.738 1.00 0.00 C ATOM 1570 C ALA A 103 -8.134 -3.670 2.084 1.00 0.00 C ATOM 1571 O ALA A 103 -8.966 -3.953 2.953 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.516 -1.585 0.738 1.00 0.00 C ATOM 0 H ALA A 103 -10.653 -2.779 0.363 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.974 -3.512 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.488 -1.286 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.817 -1.201 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.173 -1.178 1.507 1.00 0.00 H new ATOM 1578 N SER A 104 -6.820 -3.744 2.309 1.00 0.00 N ATOM 1579 CA SER A 104 -6.299 -4.130 3.621 1.00 0.00 C ATOM 1580 C SER A 104 -6.687 -3.098 4.678 1.00 0.00 C ATOM 1581 O SER A 104 -6.972 -3.445 5.829 1.00 0.00 O ATOM 1582 CB SER A 104 -4.779 -4.265 3.565 1.00 0.00 C ATOM 1583 OG SER A 104 -4.189 -3.095 3.050 1.00 0.00 O ATOM 0 H SER A 104 -6.106 -3.544 1.609 1.00 0.00 H new ATOM 0 HA SER A 104 -6.734 -5.091 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.391 -4.464 4.564 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.508 -5.118 2.942 1.00 0.00 H new ATOM 0 HG SER A 104 -3.323 -3.315 2.648 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.714 -1.826 4.288 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.979 -0.726 5.177 1.00 0.00 C ATOM 1591 C GLY A 105 -6.763 0.602 4.478 1.00 0.00 C ATOM 1592 O GLY A 105 -6.455 0.672 3.279 1.00 0.00 O ATOM 0 H GLY A 105 -6.547 -1.538 3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.005 -0.787 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.327 -0.793 6.048 1.00 0.00 H new ATOM 1596 N TYR A 106 -6.945 1.650 5.270 1.00 0.00 N ATOM 1597 CA TYR A 106 -6.908 3.029 4.844 1.00 0.00 C ATOM 1598 C TYR A 106 -6.123 3.797 5.900 1.00 0.00 C ATOM 1599 O TYR A 106 -6.392 3.652 7.096 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.353 3.542 4.705 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.521 4.641 3.678 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -7.843 5.862 3.824 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -9.336 4.427 2.551 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -7.959 6.850 2.838 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.481 5.429 1.578 1.00 0.00 C ATOM 1606 CZ TYR A 106 -8.800 6.658 1.720 1.00 0.00 C ATOM 1607 OH TYR A 106 -8.957 7.659 0.811 1.00 0.00 O ATOM 0 H TYR A 106 -7.130 1.550 6.268 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.424 3.156 3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.000 2.707 4.437 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.692 3.909 5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.232 6.039 4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.853 3.486 2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.399 7.769 2.934 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.114 5.260 0.720 1.00 0.00 H new ATOM 0 HH TYR A 106 -8.702 8.513 1.218 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.173 4.621 5.480 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.379 5.505 6.312 1.00 0.00 C ATOM 1619 C VAL A 107 -4.461 6.875 5.642 1.00 0.00 C ATOM 1620 O VAL A 107 -3.828 7.116 4.617 1.00 0.00 O ATOM 1621 CB VAL A 107 -2.943 4.957 6.427 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.017 5.947 7.129 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -2.881 3.645 7.222 1.00 0.00 C ATOM 0 H VAL A 107 -4.924 4.692 4.493 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.741 5.579 7.338 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.619 4.787 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.014 5.525 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.985 6.879 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.390 6.145 8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.848 3.300 7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.260 3.812 8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.491 2.890 6.726 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.281 7.767 6.195 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.216 9.174 5.824 1.00 0.00 C ATOM 1635 C VAL A 108 -4.044 9.775 6.603 1.00 0.00 C ATOM 1636 O VAL A 108 -3.726 9.293 7.697 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.531 9.908 6.162 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -6.621 11.221 5.377 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -7.777 9.087 5.805 1.00 0.00 C ATOM 0 H VAL A 108 -5.989 7.542 6.893 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.073 9.281 4.749 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.510 10.080 7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.553 11.729 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.778 11.860 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.596 11.008 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.672 9.652 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.779 8.875 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.766 8.149 6.361 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.424 10.853 6.123 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.637 11.692 7.025 1.00 0.00 C ATOM 1651 C LYS A 109 -3.549 12.343 8.091 1.00 0.00 C ATOM 1652 O LYS A 109 -4.752 12.513 7.855 1.00 0.00 O ATOM 1653 CB LYS A 109 -1.765 12.696 6.239 1.00 0.00 C ATOM 1654 CG LYS A 109 -0.354 12.102 6.063 1.00 0.00 C ATOM 1655 CD LYS A 109 0.722 13.132 5.698 1.00 0.00 C ATOM 1656 CE LYS A 109 2.152 12.571 5.785 1.00 0.00 C ATOM 1657 NZ LYS A 109 2.517 12.142 7.153 1.00 0.00 N ATOM 0 H LYS A 109 -3.448 11.158 5.150 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.930 11.069 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.211 12.902 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.710 13.645 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.064 11.603 6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.388 11.338 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.541 13.493 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.634 13.991 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.247 11.724 5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.857 13.331 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.546 11.999 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.232 12.874 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.030 11.251 7.379 1.00 0.00 H new ATOM 1671 N PRO A 110 -3.007 12.719 9.265 1.00 0.00 N ATOM 1672 CA PRO A 110 -1.648 12.437 9.713 1.00 0.00 C ATOM 1673 C PRO A 110 -1.515 10.961 10.120 1.00 0.00 C ATOM 1674 O PRO A 110 -2.487 10.338 10.559 1.00 0.00 O ATOM 1675 CB PRO A 110 -1.437 13.375 10.902 1.00 0.00 C ATOM 1676 CG PRO A 110 -2.822 13.438 11.540 1.00 0.00 C ATOM 1677 CD PRO A 110 -3.756 13.370 10.330 1.00 0.00 C ATOM 0 HA PRO A 110 -0.901 12.599 8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.691 12.986 11.595 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.094 14.359 10.584 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.989 12.608 12.227 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.964 14.357 12.109 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.659 12.808 10.568 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.072 14.368 10.028 1.00 0.00 H new ATOM 1685 N PHE A 111 -0.316 10.387 9.990 1.00 0.00 N ATOM 1686 CA PHE A 111 -0.048 8.996 10.342 1.00 0.00 C ATOM 1687 C PHE A 111 1.408 8.822 10.747 1.00 0.00 C ATOM 1688 O PHE A 111 2.257 9.596 10.299 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.380 8.076 9.157 1.00 0.00 C ATOM 1690 CG PHE A 111 0.422 8.233 7.876 1.00 0.00 C ATOM 1691 CD1 PHE A 111 1.713 7.680 7.766 1.00 0.00 C ATOM 1692 CD2 PHE A 111 -0.193 8.773 6.733 1.00 0.00 C ATOM 1693 CE1 PHE A 111 2.379 7.679 6.528 1.00 0.00 C ATOM 1694 CE2 PHE A 111 0.463 8.749 5.495 1.00 0.00 C ATOM 1695 CZ PHE A 111 1.755 8.210 5.389 1.00 0.00 C ATOM 0 H PHE A 111 0.502 10.882 9.634 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.680 8.724 11.188 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.269 7.046 9.495 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.432 8.219 8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.193 7.255 8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.178 9.209 6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.375 7.268 6.453 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.027 9.147 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.265 8.204 4.437 1.00 0.00 H new ATOM 1705 N THR A 112 1.702 7.767 11.516 1.00 0.00 N ATOM 1706 CA THR A 112 3.063 7.373 11.873 1.00 0.00 C ATOM 1707 C THR A 112 3.176 5.843 11.943 1.00 0.00 C ATOM 1708 O THR A 112 2.232 5.116 11.602 1.00 0.00 O ATOM 1709 CB THR A 112 3.500 8.039 13.192 1.00 0.00 C ATOM 1710 OG1 THR A 112 2.661 7.662 14.264 1.00 0.00 O ATOM 1711 CG2 THR A 112 3.573 9.559 13.114 1.00 0.00 C ATOM 0 H THR A 112 0.988 7.156 11.912 1.00 0.00 H new ATOM 0 HA THR A 112 3.743 7.721 11.095 1.00 0.00 H new ATOM 0 HB THR A 112 4.511 7.675 13.373 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.965 8.099 15.087 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.887 9.958 14.078 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.293 9.850 12.349 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.591 9.958 12.859 1.00 0.00 H new ATOM 1719 N ALA A 113 4.330 5.344 12.400 1.00 0.00 N ATOM 1720 CA ALA A 113 4.553 3.927 12.624 1.00 0.00 C ATOM 1721 C ALA A 113 3.500 3.366 13.587 1.00 0.00 C ATOM 1722 O ALA A 113 3.091 2.225 13.404 1.00 0.00 O ATOM 1723 CB ALA A 113 5.989 3.666 13.095 1.00 0.00 C ATOM 0 H ALA A 113 5.138 5.925 12.624 1.00 0.00 H new ATOM 0 HA ALA A 113 4.437 3.395 11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.131 2.597 13.256 1.00 0.00 H new ATOM 0 HB2 ALA A 113 6.690 4.015 12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.169 4.200 14.028 1.00 0.00 H new ATOM 1729 N ALA A 114 2.970 4.184 14.506 1.00 0.00 N ATOM 1730 CA ALA A 114 1.905 3.795 15.422 1.00 0.00 C ATOM 1731 C ALA A 114 0.609 3.351 14.725 1.00 0.00 C ATOM 1732 O ALA A 114 -0.143 2.588 15.327 1.00 0.00 O ATOM 1733 CB ALA A 114 1.607 4.955 16.378 1.00 0.00 C ATOM 0 H ALA A 114 3.278 5.148 14.631 1.00 0.00 H new ATOM 0 HA ALA A 114 2.269 2.923 15.965 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.811 4.666 17.064 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.505 5.198 16.946 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.293 5.827 15.805 1.00 0.00 H new ATOM 1739 N THR A 115 0.323 3.796 13.491 1.00 0.00 N ATOM 1740 CA THR A 115 -0.786 3.238 12.714 1.00 0.00 C ATOM 1741 C THR A 115 -0.250 2.156 11.776 1.00 0.00 C ATOM 1742 O THR A 115 -0.885 1.112 11.641 1.00 0.00 O ATOM 1743 CB THR A 115 -1.612 4.343 12.015 1.00 0.00 C ATOM 1744 OG1 THR A 115 -2.922 3.901 11.726 1.00 0.00 O ATOM 1745 CG2 THR A 115 -1.067 4.829 10.676 1.00 0.00 C ATOM 0 H THR A 115 0.842 4.535 13.016 1.00 0.00 H new ATOM 0 HA THR A 115 -1.501 2.755 13.380 1.00 0.00 H new ATOM 0 HB THR A 115 -1.571 5.157 12.739 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.421 4.621 11.286 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.723 5.602 10.275 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.067 5.239 10.817 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.021 3.994 9.977 1.00 0.00 H new ATOM 1753 N LEU A 116 0.934 2.363 11.173 1.00 0.00 N ATOM 1754 CA LEU A 116 1.555 1.420 10.236 1.00 0.00 C ATOM 1755 C LEU A 116 1.581 0.011 10.856 1.00 0.00 C ATOM 1756 O LEU A 116 1.127 -0.951 10.233 1.00 0.00 O ATOM 1757 CB LEU A 116 2.964 1.942 9.876 1.00 0.00 C ATOM 1758 CG LEU A 116 3.675 1.395 8.623 1.00 0.00 C ATOM 1759 CD1 LEU A 116 3.845 -0.119 8.640 1.00 0.00 C ATOM 1760 CD2 LEU A 116 3.013 1.818 7.308 1.00 0.00 C ATOM 0 H LEU A 116 1.491 3.203 11.327 1.00 0.00 H new ATOM 0 HA LEU A 116 0.978 1.345 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.894 3.024 9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.613 1.750 10.731 1.00 0.00 H new ATOM 0 HG LEU A 116 4.663 1.853 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.352 -0.438 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.439 -0.409 9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.866 -0.594 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.567 1.396 6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.986 1.454 7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.014 2.905 7.233 1.00 0.00 H new ATOM 1772 N GLU A 117 2.071 -0.097 12.092 1.00 0.00 N ATOM 1773 CA GLU A 117 2.198 -1.332 12.857 1.00 0.00 C ATOM 1774 C GLU A 117 0.846 -1.961 13.194 1.00 0.00 C ATOM 1775 O GLU A 117 0.726 -3.184 13.289 1.00 0.00 O ATOM 1776 CB GLU A 117 3.022 -1.055 14.124 1.00 0.00 C ATOM 1777 CG GLU A 117 2.348 -0.214 15.226 1.00 0.00 C ATOM 1778 CD GLU A 117 1.875 -1.080 16.393 1.00 0.00 C ATOM 1779 OE1 GLU A 117 2.726 -1.467 17.227 1.00 0.00 O ATOM 1780 OE2 GLU A 117 0.671 -1.406 16.495 1.00 0.00 O ATOM 0 H GLU A 117 2.406 0.716 12.609 1.00 0.00 H new ATOM 0 HA GLU A 117 2.716 -2.065 12.238 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.310 -2.013 14.557 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.941 -0.550 13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 117 3.050 0.536 15.591 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.498 0.323 14.805 1.00 0.00 H new ATOM 1787 N GLU A 118 -0.185 -1.141 13.369 1.00 0.00 N ATOM 1788 CA GLU A 118 -1.499 -1.617 13.747 1.00 0.00 C ATOM 1789 C GLU A 118 -2.163 -2.249 12.525 1.00 0.00 C ATOM 1790 O GLU A 118 -2.675 -3.370 12.604 1.00 0.00 O ATOM 1791 CB GLU A 118 -2.328 -0.460 14.308 1.00 0.00 C ATOM 1792 CG GLU A 118 -3.570 -1.018 15.010 1.00 0.00 C ATOM 1793 CD GLU A 118 -4.684 0.010 15.144 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -5.095 0.590 14.116 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -5.308 0.092 16.223 1.00 0.00 O ATOM 0 H GLU A 118 -0.127 -0.129 13.251 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.421 -2.373 14.529 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.731 0.123 15.010 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.623 0.214 13.504 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.941 -1.878 14.453 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.291 -1.376 16.001 1.00 0.00 H new ATOM 1802 N LYS A 119 -2.146 -1.557 11.376 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.685 -2.141 10.151 1.00 0.00 C ATOM 1804 C LYS A 119 -1.895 -3.398 9.789 1.00 0.00 C ATOM 1805 O LYS A 119 -2.522 -4.368 9.364 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.696 -1.179 8.955 1.00 0.00 C ATOM 1807 CG LYS A 119 -3.121 0.280 9.158 1.00 0.00 C ATOM 1808 CD LYS A 119 -4.545 0.460 9.680 1.00 0.00 C ATOM 1809 CE LYS A 119 -4.850 1.962 9.680 1.00 0.00 C ATOM 1810 NZ LYS A 119 -6.273 2.232 9.927 1.00 0.00 N ATOM 0 H LYS A 119 -1.772 -0.613 11.275 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.727 -2.383 10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.690 -1.170 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.353 -1.607 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.430 0.752 9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.026 0.808 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.255 -0.075 9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.639 0.050 10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.249 2.454 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.560 2.391 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.674 2.747 9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.780 1.333 10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.373 2.808 10.787 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.569 -3.403 10.000 1.00 0.00 N ATOM 1825 CA LEU A 120 0.261 -4.593 9.831 1.00 0.00 C ATOM 1826 C LEU A 120 -0.324 -5.740 10.647 1.00 0.00 C ATOM 1827 O LEU A 120 -0.579 -6.793 10.079 1.00 0.00 O ATOM 1828 CB LEU A 120 1.735 -4.362 10.220 1.00 0.00 C ATOM 1829 CG LEU A 120 2.636 -3.743 9.138 1.00 0.00 C ATOM 1830 CD1 LEU A 120 4.008 -3.430 9.741 1.00 0.00 C ATOM 1831 CD2 LEU A 120 2.842 -4.654 7.925 1.00 0.00 C ATOM 0 H LEU A 120 -0.047 -2.577 10.293 1.00 0.00 H new ATOM 0 HA LEU A 120 0.256 -4.842 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.760 -3.715 11.097 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.165 -5.319 10.517 1.00 0.00 H new ATOM 0 HG LEU A 120 2.130 -2.842 8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.650 -2.991 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.891 -2.726 10.565 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.461 -4.350 10.111 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.487 -4.156 7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.308 -5.586 8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.878 -4.870 7.464 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.591 -5.551 11.942 1.00 0.00 N ATOM 1844 CA ASN A 121 -1.140 -6.624 12.774 1.00 0.00 C ATOM 1845 C ASN A 121 -2.471 -7.156 12.237 1.00 0.00 C ATOM 1846 O ASN A 121 -2.700 -8.369 12.187 1.00 0.00 O ATOM 1847 CB ASN A 121 -1.321 -6.160 14.218 1.00 0.00 C ATOM 1848 CG ASN A 121 -1.427 -7.383 15.111 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -2.493 -7.973 15.284 1.00 0.00 O ATOM 1850 ND2 ASN A 121 -0.305 -7.825 15.645 1.00 0.00 N ATOM 0 H ASN A 121 -0.437 -4.671 12.434 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.416 -7.438 12.743 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -0.478 -5.540 14.524 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -2.218 -5.547 14.309 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -0.310 -8.671 16.214 1.00 0.00 H new ATOM 0 HD22 ASN A 121 0.568 -7.320 15.489 1.00 0.00 H new ATOM 1857 N LYS A 122 -3.344 -6.239 11.801 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.628 -6.604 11.209 1.00 0.00 C ATOM 1859 C LYS A 122 -4.396 -7.570 10.056 1.00 0.00 C ATOM 1860 O LYS A 122 -4.992 -8.639 10.056 1.00 0.00 O ATOM 1861 CB LYS A 122 -5.423 -5.365 10.767 1.00 0.00 C ATOM 1862 CG LYS A 122 -5.809 -4.480 11.959 1.00 0.00 C ATOM 1863 CD LYS A 122 -6.308 -3.105 11.503 1.00 0.00 C ATOM 1864 CE LYS A 122 -6.005 -2.025 12.545 1.00 0.00 C ATOM 1865 NZ LYS A 122 -6.851 -2.147 13.758 1.00 0.00 N ATOM 0 H LYS A 122 -3.179 -5.234 11.850 1.00 0.00 H new ATOM 0 HA LYS A 122 -5.236 -7.102 11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.829 -4.785 10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.324 -5.680 10.241 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.585 -4.974 12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.947 -4.356 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.837 -2.841 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.382 -3.148 11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.955 -2.087 12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.157 -1.042 12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.917 -1.222 14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.803 -2.466 13.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.427 -2.838 14.409 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.541 -7.241 9.085 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.260 -8.156 7.974 1.00 0.00 C ATOM 1881 C ILE A 123 -2.365 -9.337 8.352 1.00 0.00 C ATOM 1882 O ILE A 123 -2.441 -10.354 7.661 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.738 -7.419 6.731 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.479 -6.597 7.046 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -3.887 -6.587 6.142 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -1.093 -5.555 6.010 1.00 0.00 C ATOM 0 H ILE A 123 -3.035 -6.356 9.044 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.225 -8.592 7.716 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.416 -8.135 5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.626 -6.094 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.642 -7.284 7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.535 -6.056 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.710 -7.247 5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -4.233 -5.867 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.191 -5.036 6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.905 -6.044 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.905 -4.836 5.897 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.582 -9.276 9.431 1.00 0.00 N ATOM 1899 CA PHE A 124 -0.884 -10.451 9.939 1.00 0.00 C ATOM 1900 C PHE A 124 -1.916 -11.525 10.225 1.00 0.00 C ATOM 1901 O PHE A 124 -1.775 -12.652 9.756 1.00 0.00 O ATOM 1902 CB PHE A 124 -0.090 -10.179 11.220 1.00 0.00 C ATOM 1903 CG PHE A 124 1.126 -9.268 11.165 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.665 -8.811 9.946 1.00 0.00 C ATOM 1905 CD2 PHE A 124 1.761 -8.911 12.370 1.00 0.00 C ATOM 1906 CE1 PHE A 124 2.816 -8.007 9.930 1.00 0.00 C ATOM 1907 CE2 PHE A 124 2.903 -8.091 12.356 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.430 -7.638 11.137 1.00 0.00 C ATOM 0 H PHE A 124 -1.418 -8.424 9.967 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.165 -10.760 9.180 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.781 -9.758 11.950 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.240 -11.142 11.611 1.00 0.00 H new ATOM 0 HD1 PHE A 124 1.188 -9.082 9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.369 -9.269 13.310 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.229 -7.673 8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 124 3.376 -7.809 13.285 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.306 -7.007 11.128 1.00 0.00 H new ATOM 1918 N GLU A 125 -2.968 -11.184 10.968 1.00 0.00 N ATOM 1919 CA GLU A 125 -3.991 -12.175 11.278 1.00 0.00 C ATOM 1920 C GLU A 125 -4.910 -12.401 10.078 1.00 0.00 C ATOM 1921 O GLU A 125 -5.261 -13.539 9.762 1.00 0.00 O ATOM 1922 CB GLU A 125 -4.785 -11.735 12.514 1.00 0.00 C ATOM 1923 CG GLU A 125 -3.854 -11.690 13.730 1.00 0.00 C ATOM 1924 CD GLU A 125 -4.564 -11.361 15.036 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -5.356 -10.395 15.082 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -4.288 -12.035 16.058 1.00 0.00 O ATOM 0 H GLU A 125 -3.131 -10.255 11.356 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.507 -13.126 11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.227 -10.753 12.345 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -5.607 -12.427 12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -3.357 -12.655 13.831 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -3.076 -10.947 13.553 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.310 -11.321 9.405 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.358 -11.362 8.383 1.00 0.00 C ATOM 1935 C LYS A 126 -5.841 -12.020 7.110 1.00 0.00 C ATOM 1936 O LYS A 126 -6.405 -13.024 6.679 1.00 0.00 O ATOM 1937 CB LYS A 126 -6.946 -9.962 8.124 1.00 0.00 C ATOM 1938 CG LYS A 126 -8.145 -9.999 7.163 1.00 0.00 C ATOM 1939 CD LYS A 126 -8.531 -8.590 6.690 1.00 0.00 C ATOM 1940 CE LYS A 126 -9.550 -8.656 5.545 1.00 0.00 C ATOM 1941 NZ LYS A 126 -10.935 -8.831 6.024 1.00 0.00 N ATOM 0 H LYS A 126 -4.916 -10.392 9.553 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.178 -11.977 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.256 -9.520 9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.172 -9.316 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -7.902 -10.620 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -8.997 -10.463 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -8.950 -8.025 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -7.640 -8.057 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -9.487 -7.742 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -9.292 -9.482 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.582 -8.869 5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.006 -9.717 6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -11.195 -8.031 6.635 1.00 0.00 H new ATOM 1955 N LEU A 127 -4.828 -11.434 6.473 1.00 0.00 N ATOM 1956 CA LEU A 127 -4.271 -11.922 5.214 1.00 0.00 C ATOM 1957 C LEU A 127 -3.282 -13.064 5.473 1.00 0.00 C ATOM 1958 O LEU A 127 -3.014 -13.843 4.561 1.00 0.00 O ATOM 1959 CB LEU A 127 -3.551 -10.789 4.454 1.00 0.00 C ATOM 1960 CG LEU A 127 -4.389 -9.623 3.871 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -4.223 -9.527 2.358 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -5.884 -9.608 4.214 1.00 0.00 C ATOM 0 H LEU A 127 -4.365 -10.595 6.823 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.098 -12.288 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.812 -10.357 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.002 -11.243 3.630 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.972 -8.751 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.823 -8.700 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.174 -9.355 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.554 -10.457 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.356 -8.744 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.351 -10.521 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.009 -9.549 5.295 1.00 0.00 H new ATOM 1974 N GLY A 128 -2.742 -13.185 6.690 1.00 0.00 N ATOM 1975 CA GLY A 128 -1.648 -14.102 6.977 1.00 0.00 C ATOM 1976 C GLY A 128 -0.304 -13.464 6.630 1.00 0.00 C ATOM 1977 O GLY A 128 0.565 -14.158 6.096 1.00 0.00 O ATOM 0 H GLY A 128 -3.055 -12.648 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -1.664 -14.377 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.778 -15.021 6.406 1.00 0.00 H new ATOM 1981 N MET A 129 -0.147 -12.155 6.861 1.00 0.00 N ATOM 1982 CA MET A 129 1.118 -11.432 6.664 1.00 0.00 C ATOM 1983 C MET A 129 2.037 -11.595 7.875 1.00 0.00 C ATOM 1984 O MET A 129 1.743 -12.425 8.762 1.00 0.00 O ATOM 1985 CB MET A 129 0.840 -9.947 6.361 1.00 0.00 C ATOM 1986 CG MET A 129 0.239 -9.709 4.974 1.00 0.00 C ATOM 1987 SD MET A 129 1.374 -10.006 3.591 1.00 0.00 S ATOM 1988 CE MET A 129 0.747 -11.600 2.997 1.00 0.00 C ATOM 1989 OXT MET A 129 3.079 -10.915 7.944 1.00 0.00 O ATOM 0 H MET A 129 -0.905 -11.559 7.195 1.00 0.00 H new ATOM 0 HA MET A 129 1.635 -11.862 5.806 1.00 0.00 H new ATOM 0 HB2 MET A 129 0.160 -9.552 7.116 1.00 0.00 H new ATOM 0 HB3 MET A 129 1.771 -9.387 6.446 1.00 0.00 H new ATOM 0 HG2 MET A 129 -0.632 -10.354 4.856 1.00 0.00 H new ATOM 0 HG3 MET A 129 -0.116 -8.680 4.919 1.00 0.00 H new ATOM 0 HE1 MET A 129 1.539 -12.126 2.464 1.00 0.00 H new ATOM 0 HE2 MET A 129 0.419 -12.201 3.845 1.00 0.00 H new ATOM 0 HE3 MET A 129 -0.094 -11.432 2.324 1.00 0.00 H new TER 1999 MET A 129