USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 219 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 87 THR OG1 : rot -164:sc= 1.58 USER MOD Set 1.2: A 94 ASN : amide:sc= 2.11 K(o=4.7,f=-6.9!) USER MOD Set 1.3: A 106 TYR OH : rot -125:sc= 1.06 USER MOD Set 2.1: A 56 SER OG : rot 35:sc= -0.515 USER MOD Set 2.2: A 60 MET CE :methyl -172:sc= -1.72 (180deg=-1.99) USER MOD Set 3.1: A 31 ASN : amide:sc= -0.186 X(o=-0.37,f=-0.43) USER MOD Set 3.2: A 32 ASN : amide:sc= -0.18 X(o=-0.37,f=-0.31) USER MOD Set 4.1: A 23 ASN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Set 4.2: A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0369) USER MOD Single : A 1 ARG N :NH3+ -171:sc= 0 (180deg=-0.00882) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0188) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= -0.0069 (180deg=-0.228) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 17 MET CE :methyl -163:sc= -0.276 (180deg=-0.687) USER MOD Single : A 44 ASN : amide:sc= -0.0224 K(o=-0.022,f=-2.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.649 K(o=-0.65,f=-2.8) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 178:sc= 0 (180deg=-0.00468) USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.138) USER MOD Single : A 71 THR OG1 : rot 15:sc= 0.624 USER MOD Single : A 78 MET CE :methyl 177:sc= -2.06 (180deg=-2.27) USER MOD Single : A 79 SER OG : rot 77:sc= 1.19 USER MOD Single : A 85 MET CE :methyl -120:sc= -1.11 (180deg=-2.14) 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= -0.0132 X(o=-0.013,f=-0.013) USER MOD Single : A 104 SER OG : rot -12:sc= 0.498 USER MOD Single : A 109 LYS NZ :NH3+ 155:sc= -1.51 (180deg=-2.44!) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 115 THR OG1 : rot -170:sc= -0.194 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0.439 K(o=0.44,f=-1.2) USER MOD Single : A 122 LYS NZ :NH3+ 174:sc= 0.253 (180deg=0.197) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.049 -1.807 -16.545 1.00 0.00 N ATOM 2 CA ARG A 1 -13.037 -2.138 -15.519 1.00 0.00 C ATOM 3 C ARG A 1 -13.537 -2.181 -14.068 1.00 0.00 C ATOM 4 O ARG A 1 -14.071 -1.209 -13.530 1.00 0.00 O ATOM 5 CB ARG A 1 -11.810 -1.224 -15.656 1.00 0.00 C ATOM 6 CG ARG A 1 -10.877 -1.675 -16.787 1.00 0.00 C ATOM 7 CD ARG A 1 -9.894 -2.787 -16.386 1.00 0.00 C ATOM 8 NE ARG A 1 -10.536 -4.099 -16.156 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.559 -4.774 -15.009 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.888 -4.378 -13.938 1.00 0.00 N ATOM 11 NH2 ARG A 1 -11.183 -5.947 -14.939 1.00 0.00 N ATOM 0 H1 ARG A 1 -13.645 -1.954 -17.492 1.00 0.00 H new ATOM 0 H2 ARG A 1 -14.880 -2.421 -16.424 1.00 0.00 H new ATOM 0 H3 ARG A 1 -14.336 -0.813 -16.442 1.00 0.00 H new ATOM 0 HA ARG A 1 -12.761 -3.171 -15.731 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -12.139 -0.202 -15.844 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -11.260 -1.214 -14.715 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -11.481 -2.024 -17.624 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -10.310 -0.814 -17.140 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -9.142 -2.893 -17.168 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -9.370 -2.486 -15.479 1.00 0.00 H new ATOM 0 HE ARG A 1 -11.006 -4.528 -16.953 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -9.327 -3.527 -13.973 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.932 -4.924 -13.078 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -11.644 -6.329 -15.765 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -11.200 -6.464 -14.060 1.00 0.00 H new ATOM 20 N SER A 2 -13.131 -3.256 -13.394 1.00 0.00 N ATOM 21 CA SER A 2 -13.555 -3.535 -12.011 1.00 0.00 C ATOM 22 C SER A 2 -12.736 -2.859 -10.887 1.00 0.00 C ATOM 23 O SER A 2 -12.058 -3.502 -10.082 1.00 0.00 O ATOM 24 CB SER A 2 -13.680 -5.039 -11.801 1.00 0.00 C ATOM 25 OG SER A 2 -14.787 -5.535 -12.555 1.00 0.00 O ATOM 0 H SER A 2 -12.502 -3.958 -13.783 1.00 0.00 H new ATOM 0 HA SER A 2 -14.530 -3.057 -11.913 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.762 -5.538 -12.112 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.820 -5.259 -10.743 1.00 0.00 H new ATOM 0 HG SER A 2 -14.867 -6.503 -12.421 1.00 0.00 H new ATOM 28 N ASP A 3 -12.915 -1.548 -10.779 1.00 0.00 N ATOM 29 CA ASP A 3 -12.253 -0.748 -9.710 1.00 0.00 C ATOM 30 C ASP A 3 -13.191 -0.642 -8.495 1.00 0.00 C ATOM 31 O ASP A 3 -13.748 0.413 -8.197 1.00 0.00 O ATOM 32 CB ASP A 3 -11.766 0.620 -10.240 1.00 0.00 C ATOM 33 CG ASP A 3 -12.865 1.602 -10.691 1.00 0.00 C ATOM 34 OD1 ASP A 3 -13.776 1.149 -11.419 1.00 0.00 O ATOM 35 OD2 ASP A 3 -12.713 2.791 -10.346 1.00 0.00 O ATOM 0 H ASP A 3 -13.506 -1.002 -11.406 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.349 -1.259 -9.379 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.176 1.100 -9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.097 0.443 -11.082 1.00 0.00 H new ATOM 37 N LYS A 4 -13.408 -1.808 -7.888 1.00 0.00 N ATOM 38 CA LYS A 4 -14.291 -1.982 -6.708 1.00 0.00 C ATOM 39 C LYS A 4 -13.871 -3.165 -5.807 1.00 0.00 C ATOM 40 O LYS A 4 -13.348 -2.963 -4.708 1.00 0.00 O ATOM 41 CB LYS A 4 -15.743 -2.125 -7.200 1.00 0.00 C ATOM 42 CG LYS A 4 -16.789 -2.238 -6.088 1.00 0.00 C ATOM 43 CD LYS A 4 -18.220 -2.388 -6.630 1.00 0.00 C ATOM 44 CE LYS A 4 -18.487 -3.709 -7.352 1.00 0.00 C ATOM 45 NZ LYS A 4 -18.467 -4.848 -6.414 1.00 0.00 N ATOM 0 H LYS A 4 -12.975 -2.678 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.200 -1.099 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.987 -1.265 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.811 -3.008 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.552 -3.095 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.736 -1.353 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.921 -2.293 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.424 -1.566 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.455 -3.664 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.736 -3.860 -8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.734 -5.718 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.511 -4.956 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.142 -4.674 -5.642 1.00 0.00 H new ATOM 50 N GLU A 5 -14.048 -4.384 -6.320 1.00 0.00 N ATOM 51 CA GLU A 5 -13.692 -5.632 -5.604 1.00 0.00 C ATOM 52 C GLU A 5 -12.191 -5.954 -5.747 1.00 0.00 C ATOM 53 O GLU A 5 -11.767 -6.895 -6.412 1.00 0.00 O ATOM 54 CB GLU A 5 -14.606 -6.807 -6.002 1.00 0.00 C ATOM 55 CG GLU A 5 -14.977 -6.957 -7.489 1.00 0.00 C ATOM 56 CD GLU A 5 -13.793 -7.113 -8.446 1.00 0.00 C ATOM 57 OE1 GLU A 5 -13.289 -6.049 -8.859 1.00 0.00 O ATOM 58 OE2 GLU A 5 -13.491 -8.266 -8.809 1.00 0.00 O ATOM 0 H GLU A 5 -14.443 -4.545 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.871 -5.467 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.123 -7.730 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.532 -6.719 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.628 -7.824 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.555 -6.084 -7.792 1.00 0.00 H new ATOM 60 N LEU A 6 -11.402 -5.026 -5.213 1.00 0.00 N ATOM 61 CA LEU A 6 -9.935 -5.071 -5.247 1.00 0.00 C ATOM 62 C LEU A 6 -9.359 -5.431 -3.862 1.00 0.00 C ATOM 63 O LEU A 6 -9.710 -4.806 -2.861 1.00 0.00 O ATOM 64 CB LEU A 6 -9.461 -3.675 -5.700 1.00 0.00 C ATOM 65 CG LEU A 6 -8.058 -3.667 -6.323 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.855 -2.377 -7.117 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.943 -3.812 -5.288 1.00 0.00 C ATOM 0 H LEU A 6 -11.767 -4.203 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.586 -5.841 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.172 -3.278 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.471 -3.003 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.998 -4.535 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.858 -2.374 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.602 -2.315 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.960 -1.520 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.976 -3.799 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.995 -2.985 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.062 -4.755 -4.755 1.00 0.00 H new ATOM 69 N LYS A 7 -8.565 -6.502 -3.853 1.00 0.00 N ATOM 70 CA LYS A 7 -7.884 -6.986 -2.634 1.00 0.00 C ATOM 71 C LYS A 7 -6.662 -6.152 -2.230 1.00 0.00 C ATOM 72 O LYS A 7 -5.616 -6.148 -2.894 1.00 0.00 O ATOM 73 CB LYS A 7 -7.485 -8.457 -2.738 1.00 0.00 C ATOM 74 CG LYS A 7 -8.656 -9.392 -2.426 1.00 0.00 C ATOM 75 CD LYS A 7 -8.167 -10.835 -2.285 1.00 0.00 C ATOM 76 CE LYS A 7 -9.285 -11.770 -1.838 1.00 0.00 C ATOM 77 NZ LYS A 7 -9.700 -11.461 -0.456 1.00 0.00 N ATOM 0 H LYS A 7 -8.371 -7.062 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.630 -6.872 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.115 -8.662 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.665 -8.660 -2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.146 -9.076 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.400 -9.330 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.766 -11.178 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.351 -10.873 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.138 -11.673 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.947 -12.805 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.253 -12.255 -0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.857 -11.310 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.283 -10.600 -0.453 1.00 0.00 H new ATOM 82 N PHE A 8 -6.911 -5.344 -1.207 1.00 0.00 N ATOM 83 CA PHE A 8 -5.923 -4.435 -0.594 1.00 0.00 C ATOM 84 C PHE A 8 -5.306 -5.029 0.671 1.00 0.00 C ATOM 85 O PHE A 8 -6.003 -5.563 1.531 1.00 0.00 O ATOM 86 CB PHE A 8 -6.598 -3.140 -0.121 1.00 0.00 C ATOM 87 CG PHE A 8 -6.984 -2.186 -1.237 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.218 -2.324 -1.897 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.121 -1.101 -1.519 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.585 -1.370 -2.866 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.492 -0.142 -2.481 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.722 -0.285 -3.148 1.00 0.00 C ATOM 0 H PHE A 8 -7.827 -5.294 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.170 -4.263 -1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.493 -3.398 0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.925 -2.624 0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.875 -3.149 -1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.180 -1.008 -0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.523 -1.467 -3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.842 0.691 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.013 0.446 -3.888 1.00 0.00 H new ATOM 94 N LEU A 9 -3.981 -4.990 0.727 1.00 0.00 N ATOM 95 CA LEU A 9 -3.298 -5.421 1.949 1.00 0.00 C ATOM 96 C LEU A 9 -2.721 -4.195 2.644 1.00 0.00 C ATOM 97 O LEU A 9 -1.745 -3.579 2.209 1.00 0.00 O ATOM 98 CB LEU A 9 -2.184 -6.422 1.690 1.00 0.00 C ATOM 99 CG LEU A 9 -2.143 -7.508 2.777 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.738 -8.064 2.761 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.346 -7.072 4.225 1.00 0.00 C ATOM 0 H LEU A 9 -3.371 -4.677 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.035 -5.924 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.329 -6.886 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.226 -5.902 1.656 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.968 -8.177 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.647 -8.844 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.524 -8.484 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.028 -7.265 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.292 -7.943 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.568 -6.361 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.323 -6.601 4.329 1.00 0.00 H new ATOM 103 N VAL A 10 -3.453 -3.812 3.686 1.00 0.00 N ATOM 104 CA VAL A 10 -3.099 -2.660 4.528 1.00 0.00 C ATOM 105 C VAL A 10 -2.169 -3.232 5.615 1.00 0.00 C ATOM 106 O VAL A 10 -2.525 -4.105 6.404 1.00 0.00 O ATOM 107 CB VAL A 10 -4.346 -1.924 5.020 1.00 0.00 C ATOM 108 CG1 VAL A 10 -3.928 -0.706 5.844 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.181 -1.422 3.841 1.00 0.00 C ATOM 0 H VAL A 10 -4.308 -4.287 3.975 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.569 -1.871 3.995 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.933 -2.620 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.817 -0.181 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.337 -1.031 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.331 -0.036 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.063 -0.902 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.584 -0.738 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.492 -2.268 3.229 1.00 0.00 H new ATOM 111 N VAL A 11 -0.913 -2.866 5.417 1.00 0.00 N ATOM 112 CA VAL A 11 0.221 -3.293 6.240 1.00 0.00 C ATOM 113 C VAL A 11 0.644 -2.114 7.129 1.00 0.00 C ATOM 114 O VAL A 11 1.358 -1.202 6.699 1.00 0.00 O ATOM 115 CB VAL A 11 1.398 -3.800 5.395 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.369 -4.572 6.289 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.973 -4.708 4.240 1.00 0.00 C ATOM 0 H VAL A 11 -0.640 -2.244 4.656 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.089 -4.136 6.857 1.00 0.00 H new ATOM 0 HB VAL A 11 1.868 -2.918 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.206 -4.933 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.742 -3.914 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.853 -5.420 6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.855 -5.029 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.455 -5.582 4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.305 -4.161 3.574 1.00 0.00 H new ATOM 119 N ASP A 12 0.226 -2.208 8.382 1.00 0.00 N ATOM 120 CA ASP A 12 0.521 -1.174 9.390 1.00 0.00 C ATOM 121 C ASP A 12 0.889 -1.774 10.747 1.00 0.00 C ATOM 122 O ASP A 12 0.147 -2.577 11.297 1.00 0.00 O ATOM 123 CB ASP A 12 -0.685 -0.234 9.564 1.00 0.00 C ATOM 124 CG ASP A 12 -0.842 0.694 8.356 1.00 0.00 C ATOM 125 OD1 ASP A 12 -1.405 0.240 7.342 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.332 1.832 8.464 1.00 0.00 O ATOM 0 H ASP A 12 -0.323 -2.991 8.737 1.00 0.00 H new ATOM 0 HA ASP A 12 1.381 -0.614 9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.593 -0.823 9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.559 0.361 10.469 1.00 0.00 H new ATOM 128 N ASP A 13 1.966 -1.228 11.305 1.00 0.00 N ATOM 129 CA ASP A 13 2.471 -1.661 12.634 1.00 0.00 C ATOM 130 C ASP A 13 1.460 -1.380 13.768 1.00 0.00 C ATOM 131 O ASP A 13 1.557 -1.922 14.865 1.00 0.00 O ATOM 132 CB ASP A 13 3.850 -1.054 12.920 1.00 0.00 C ATOM 133 CG ASP A 13 3.928 0.474 13.079 1.00 0.00 C ATOM 134 OD1 ASP A 13 2.960 1.169 12.678 1.00 0.00 O ATOM 135 OD2 ASP A 13 4.945 0.918 13.641 1.00 0.00 O ATOM 0 H ASP A 13 2.515 -0.486 10.870 1.00 0.00 H new ATOM 0 HA ASP A 13 2.589 -2.744 12.601 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.236 -1.508 13.832 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.521 -1.344 12.111 1.00 0.00 H new ATOM 137 N PHE A 14 0.586 -0.413 13.492 1.00 0.00 N ATOM 138 CA PHE A 14 -0.501 0.008 14.379 1.00 0.00 C ATOM 139 C PHE A 14 -1.832 -0.480 13.795 1.00 0.00 C ATOM 140 O PHE A 14 -2.301 0.012 12.770 1.00 0.00 O ATOM 141 CB PHE A 14 -0.476 1.533 14.468 1.00 0.00 C ATOM 142 CG PHE A 14 -0.212 2.036 15.884 1.00 0.00 C ATOM 143 CD1 PHE A 14 1.117 2.078 16.367 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.294 2.449 16.690 1.00 0.00 C ATOM 145 CE1 PHE A 14 1.362 2.528 17.684 1.00 0.00 C ATOM 146 CE2 PHE A 14 -1.061 2.903 18.000 1.00 0.00 C ATOM 147 CZ PHE A 14 0.271 2.937 18.489 1.00 0.00 C ATOM 0 H PHE A 14 0.614 0.115 12.620 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.383 -0.414 15.377 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.294 1.919 13.800 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.429 1.929 14.118 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.937 1.769 15.735 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.301 2.416 16.301 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.369 2.560 18.072 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.883 3.221 18.625 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.456 3.282 19.496 1.00 0.00 H new ATOM 149 N SER A 15 -2.336 -1.564 14.384 1.00 0.00 N ATOM 150 CA SER A 15 -3.650 -2.162 14.004 1.00 0.00 C ATOM 151 C SER A 15 -4.778 -1.121 13.930 1.00 0.00 C ATOM 152 O SER A 15 -5.585 -1.124 13.003 1.00 0.00 O ATOM 153 CB SER A 15 -4.028 -3.268 14.999 1.00 0.00 C ATOM 154 OG SER A 15 -3.966 -2.739 16.330 1.00 0.00 O ATOM 0 H SER A 15 -1.861 -2.063 15.136 1.00 0.00 H new ATOM 0 HA SER A 15 -3.533 -2.580 13.004 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.031 -3.638 14.787 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.348 -4.114 14.898 1.00 0.00 H new ATOM 0 HG SER A 15 -4.208 -3.439 16.972 1.00 0.00 H new ATOM 157 N THR A 16 -4.683 -0.131 14.811 1.00 0.00 N ATOM 158 CA THR A 16 -5.583 1.034 14.911 1.00 0.00 C ATOM 159 C THR A 16 -5.557 1.858 13.606 1.00 0.00 C ATOM 160 O THR A 16 -6.599 2.271 13.106 1.00 0.00 O ATOM 161 CB THR A 16 -5.134 1.936 16.067 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.248 1.227 16.936 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.353 2.437 16.849 1.00 0.00 C ATOM 0 H THR A 16 -3.943 -0.109 15.513 1.00 0.00 H new ATOM 0 HA THR A 16 -6.595 0.668 15.086 1.00 0.00 H new ATOM 0 HB THR A 16 -4.603 2.794 15.654 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.968 1.815 17.668 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.023 3.077 17.667 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.003 3.005 16.184 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.901 1.586 17.252 1.00 0.00 H new ATOM 166 N MET A 17 -4.367 2.042 13.034 1.00 0.00 N ATOM 167 CA MET A 17 -4.184 2.756 11.750 1.00 0.00 C ATOM 168 C MET A 17 -4.822 1.957 10.589 1.00 0.00 C ATOM 169 O MET A 17 -5.562 2.528 9.794 1.00 0.00 O ATOM 170 CB MET A 17 -2.698 3.025 11.482 1.00 0.00 C ATOM 171 CG MET A 17 -2.488 3.971 10.296 1.00 0.00 C ATOM 172 SD MET A 17 -3.212 5.632 10.574 1.00 0.00 S ATOM 173 CE MET A 17 -4.087 5.844 9.038 1.00 0.00 C ATOM 0 H MET A 17 -3.495 1.703 13.441 1.00 0.00 H new ATOM 0 HA MET A 17 -4.690 3.719 11.818 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.242 3.455 12.373 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.189 2.081 11.287 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.420 4.073 10.103 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.932 3.531 9.403 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.332 6.897 8.901 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.460 5.507 8.213 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.006 5.258 9.059 1.00 0.00 H new ATOM 175 N ARG A 18 -4.617 0.635 10.612 1.00 0.00 N ATOM 176 CA ARG A 18 -5.175 -0.303 9.612 1.00 0.00 C ATOM 177 C ARG A 18 -6.719 -0.161 9.565 1.00 0.00 C ATOM 178 O ARG A 18 -7.290 0.044 8.497 1.00 0.00 O ATOM 179 CB ARG A 18 -4.769 -1.729 10.023 1.00 0.00 C ATOM 180 CG ARG A 18 -4.674 -2.730 8.862 1.00 0.00 C ATOM 181 CD ARG A 18 -5.996 -3.116 8.189 1.00 0.00 C ATOM 182 NE ARG A 18 -6.860 -3.913 9.077 1.00 0.00 N ATOM 183 CZ ARG A 18 -7.825 -4.749 8.689 1.00 0.00 C ATOM 184 NH1 ARG A 18 -8.223 -4.837 7.428 1.00 0.00 N ATOM 185 NH2 ARG A 18 -8.455 -5.487 9.595 1.00 0.00 N ATOM 0 H ARG A 18 -4.055 0.175 11.329 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.788 -0.083 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.804 -1.686 10.527 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.491 -2.103 10.749 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.013 -2.312 8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.200 -3.639 9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.525 -2.212 7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.788 -3.684 7.282 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.706 -3.817 10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.788 -4.253 6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.964 -5.489 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.200 -5.413 10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.194 -6.128 9.306 1.00 0.00 H new ATOM 192 N ARG A 19 -7.307 -0.060 10.760 1.00 0.00 N ATOM 193 CA ARG A 19 -8.762 0.129 10.983 1.00 0.00 C ATOM 194 C ARG A 19 -9.266 1.384 10.240 1.00 0.00 C ATOM 195 O ARG A 19 -10.260 1.330 9.510 1.00 0.00 O ATOM 196 CB ARG A 19 -8.942 0.335 12.489 1.00 0.00 C ATOM 197 CG ARG A 19 -10.346 0.039 13.034 1.00 0.00 C ATOM 198 CD ARG A 19 -10.451 -1.383 13.602 1.00 0.00 C ATOM 199 NE ARG A 19 -9.453 -1.581 14.674 1.00 0.00 N ATOM 200 CZ ARG A 19 -8.666 -2.651 14.856 1.00 0.00 C ATOM 201 NH1 ARG A 19 -8.815 -3.775 14.154 1.00 0.00 N ATOM 202 NH2 ARG A 19 -7.778 -2.654 15.833 1.00 0.00 N ATOM 0 H ARG A 19 -6.778 -0.108 11.631 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.323 -0.730 10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.227 -0.299 13.013 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.688 1.367 12.730 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.593 0.760 13.813 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.079 0.167 12.238 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.454 -1.553 13.993 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.291 -2.112 12.808 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.352 -0.822 15.348 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.549 -3.842 13.449 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.195 -4.567 14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.692 -1.844 16.447 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.178 -3.467 15.974 1.00 0.00 H new ATOM 209 N ILE A 20 -8.551 2.493 10.412 1.00 0.00 N ATOM 210 CA ILE A 20 -8.859 3.789 9.760 1.00 0.00 C ATOM 211 C ILE A 20 -8.854 3.633 8.226 1.00 0.00 C ATOM 212 O ILE A 20 -9.899 3.787 7.604 1.00 0.00 O ATOM 213 CB ILE A 20 -7.892 4.904 10.231 1.00 0.00 C ATOM 214 CG1 ILE A 20 -7.746 5.004 11.761 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.233 6.272 9.619 1.00 0.00 C ATOM 216 CD1 ILE A 20 -9.033 5.181 12.575 1.00 0.00 C ATOM 0 H ILE A 20 -7.728 2.530 11.014 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.861 4.095 10.061 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.916 4.598 9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.245 4.102 12.113 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.087 5.843 11.984 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.526 7.019 9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.171 6.210 8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.244 6.559 9.909 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.788 5.237 13.636 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.534 6.100 12.269 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.694 4.332 12.400 1.00 0.00 H new ATOM 218 N VAL A 21 -7.732 3.140 7.690 1.00 0.00 N ATOM 219 CA VAL A 21 -7.542 2.914 6.239 1.00 0.00 C ATOM 220 C VAL A 21 -8.681 2.058 5.644 1.00 0.00 C ATOM 221 O VAL A 21 -9.259 2.436 4.623 1.00 0.00 O ATOM 222 CB VAL A 21 -6.193 2.249 5.893 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.891 2.383 4.392 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.977 2.836 6.631 1.00 0.00 C ATOM 0 H VAL A 21 -6.919 2.882 8.249 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.552 3.910 5.796 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.323 1.213 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.936 1.908 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.680 1.898 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.843 3.438 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.075 2.306 6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.878 3.893 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.115 2.725 7.706 1.00 0.00 H new ATOM 226 N ARG A 22 -9.045 0.980 6.349 1.00 0.00 N ATOM 227 CA ARG A 22 -10.126 0.055 5.948 1.00 0.00 C ATOM 228 C ARG A 22 -11.437 0.812 5.658 1.00 0.00 C ATOM 229 O ARG A 22 -11.910 0.812 4.523 1.00 0.00 O ATOM 230 CB ARG A 22 -10.328 -0.950 7.087 1.00 0.00 C ATOM 231 CG ARG A 22 -11.059 -2.213 6.631 1.00 0.00 C ATOM 232 CD ARG A 22 -11.630 -3.044 7.785 1.00 0.00 C ATOM 233 NE ARG A 22 -10.628 -3.329 8.840 1.00 0.00 N ATOM 234 CZ ARG A 22 -10.793 -3.108 10.141 1.00 0.00 C ATOM 235 NH1 ARG A 22 -11.983 -2.896 10.681 1.00 0.00 N ATOM 236 NH2 ARG A 22 -9.771 -3.340 10.955 1.00 0.00 N ATOM 0 H ARG A 22 -8.595 0.717 7.226 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.847 -0.458 5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.358 -1.225 7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.894 -0.476 7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.871 -1.930 5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.372 -2.832 6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.474 -2.513 8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.015 -3.985 7.393 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.737 -3.728 8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.817 -2.898 10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.066 -2.730 11.684 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.886 -3.679 10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.870 -3.179 11.957 1.00 0.00 H new ATOM 243 N ASN A 23 -11.869 1.608 6.641 1.00 0.00 N ATOM 244 CA ASN A 23 -13.088 2.430 6.559 1.00 0.00 C ATOM 245 C ASN A 23 -13.054 3.454 5.416 1.00 0.00 C ATOM 246 O ASN A 23 -14.023 3.605 4.663 1.00 0.00 O ATOM 247 CB ASN A 23 -13.345 3.113 7.912 1.00 0.00 C ATOM 248 CG ASN A 23 -13.937 2.133 8.941 1.00 0.00 C ATOM 249 OD1 ASN A 23 -15.135 1.923 9.022 1.00 0.00 O ATOM 250 ND2 ASN A 23 -13.100 1.500 9.740 1.00 0.00 N ATOM 0 H ASN A 23 -11.378 1.703 7.530 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.916 1.760 6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.411 3.523 8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.028 3.951 7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.455 0.834 10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.098 1.676 9.672 1.00 0.00 H new ATOM 254 N LEU A 24 -11.887 4.063 5.213 1.00 0.00 N ATOM 255 CA LEU A 24 -11.628 5.036 4.131 1.00 0.00 C ATOM 256 C LEU A 24 -11.858 4.394 2.756 1.00 0.00 C ATOM 257 O LEU A 24 -12.645 4.894 1.950 1.00 0.00 O ATOM 258 CB LEU A 24 -10.176 5.524 4.235 1.00 0.00 C ATOM 259 CG LEU A 24 -9.883 6.331 5.503 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.405 6.715 5.560 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.730 7.595 5.650 1.00 0.00 C ATOM 0 H LEU A 24 -11.072 3.896 5.804 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.315 5.876 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.510 4.662 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.946 6.138 3.364 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.147 5.674 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.213 7.288 6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.794 5.812 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.152 7.319 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.461 8.108 6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.549 8.255 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.785 7.324 5.680 1.00 0.00 H new ATOM 263 N LEU A 25 -11.198 3.259 2.539 1.00 0.00 N ATOM 264 CA LEU A 25 -11.313 2.459 1.288 1.00 0.00 C ATOM 265 C LEU A 25 -12.761 2.039 1.002 1.00 0.00 C ATOM 266 O LEU A 25 -13.261 2.216 -0.108 1.00 0.00 O ATOM 267 CB LEU A 25 -10.438 1.204 1.348 1.00 0.00 C ATOM 268 CG LEU A 25 -8.965 1.595 1.348 1.00 0.00 C ATOM 269 CD1 LEU A 25 -8.080 0.418 1.765 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.506 2.123 -0.019 1.00 0.00 C ATOM 0 H LEU A 25 -10.559 2.852 3.222 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.970 3.107 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.671 0.631 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.652 0.560 0.495 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.860 2.399 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.035 0.727 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.354 0.095 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.220 -0.408 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.450 2.389 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.651 1.351 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.090 3.004 -0.283 1.00 0.00 H new ATOM 272 N LYS A 26 -13.413 1.581 2.069 1.00 0.00 N ATOM 273 CA LYS A 26 -14.836 1.173 2.063 1.00 0.00 C ATOM 274 C LYS A 26 -15.725 2.311 1.494 1.00 0.00 C ATOM 275 O LYS A 26 -16.393 2.114 0.484 1.00 0.00 O ATOM 276 CB LYS A 26 -15.201 0.771 3.499 1.00 0.00 C ATOM 277 CG LYS A 26 -16.650 0.320 3.750 1.00 0.00 C ATOM 278 CD LYS A 26 -17.623 1.454 4.106 1.00 0.00 C ATOM 279 CE LYS A 26 -17.317 2.174 5.423 1.00 0.00 C ATOM 280 NZ LYS A 26 -17.454 1.255 6.570 1.00 0.00 N ATOM 0 H LYS A 26 -12.969 1.477 2.982 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.008 0.319 1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.537 -0.038 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.992 1.619 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.017 -0.189 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.654 -0.411 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -17.617 2.186 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.632 1.045 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.305 2.578 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.994 3.019 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.359 1.790 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.388 0.799 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.712 0.528 6.523 1.00 0.00 H new ATOM 285 N GLU A 27 -15.503 3.522 2.017 1.00 0.00 N ATOM 286 CA GLU A 27 -16.198 4.765 1.609 1.00 0.00 C ATOM 287 C GLU A 27 -16.028 5.054 0.104 1.00 0.00 C ATOM 288 O GLU A 27 -16.922 5.622 -0.525 1.00 0.00 O ATOM 289 CB GLU A 27 -15.635 5.896 2.473 1.00 0.00 C ATOM 290 CG GLU A 27 -16.418 7.214 2.433 1.00 0.00 C ATOM 291 CD GLU A 27 -16.254 8.036 1.147 1.00 0.00 C ATOM 292 OE1 GLU A 27 -15.099 8.151 0.681 1.00 0.00 O ATOM 293 OE2 GLU A 27 -17.267 8.652 0.740 1.00 0.00 O ATOM 0 H GLU A 27 -14.818 3.677 2.756 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.272 4.666 1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.591 5.552 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.610 6.093 2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.476 6.993 2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.108 7.828 3.279 1.00 0.00 H new ATOM 295 N LEU A 28 -14.820 4.782 -0.403 1.00 0.00 N ATOM 296 CA LEU A 28 -14.443 4.971 -1.821 1.00 0.00 C ATOM 297 C LEU A 28 -15.016 3.913 -2.788 1.00 0.00 C ATOM 298 O LEU A 28 -14.954 4.076 -4.002 1.00 0.00 O ATOM 299 CB LEU A 28 -12.908 4.979 -1.926 1.00 0.00 C ATOM 300 CG LEU A 28 -12.246 6.073 -1.061 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.729 5.859 -1.015 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.595 7.485 -1.527 1.00 0.00 C ATOM 0 H LEU A 28 -14.057 4.417 0.167 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.880 5.920 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.524 4.004 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.622 5.126 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.648 5.981 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.270 6.635 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.512 4.882 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.324 5.908 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.102 8.213 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.258 7.623 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.674 7.628 -1.477 1.00 0.00 H new ATOM 304 N GLY A 29 -15.500 2.809 -2.214 1.00 0.00 N ATOM 305 CA GLY A 29 -16.089 1.661 -2.939 1.00 0.00 C ATOM 306 C GLY A 29 -15.228 0.378 -2.929 1.00 0.00 C ATOM 307 O GLY A 29 -15.657 -0.655 -3.450 1.00 0.00 O ATOM 0 H GLY A 29 -15.497 2.677 -1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.061 1.433 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.266 1.955 -3.974 1.00 0.00 H new ATOM 309 N PHE A 30 -14.139 0.397 -2.175 1.00 0.00 N ATOM 310 CA PHE A 30 -13.188 -0.733 -2.076 1.00 0.00 C ATOM 311 C PHE A 30 -13.426 -1.601 -0.827 1.00 0.00 C ATOM 312 O PHE A 30 -12.876 -1.378 0.257 1.00 0.00 O ATOM 313 CB PHE A 30 -11.760 -0.188 -2.145 1.00 0.00 C ATOM 314 CG PHE A 30 -11.471 0.541 -3.459 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.519 -0.160 -4.684 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.224 1.934 -3.434 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.341 0.532 -5.894 1.00 0.00 C ATOM 318 CE2 PHE A 30 -11.037 2.629 -4.642 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.094 1.924 -5.868 1.00 0.00 C ATOM 0 H PHE A 30 -13.876 1.200 -1.603 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.352 -1.403 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.595 0.494 -1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.055 -1.011 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.692 -1.226 -4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.179 2.461 -2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.392 0.005 -6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.851 3.693 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.947 2.456 -6.796 1.00 0.00 H new ATOM 321 N ASN A 31 -14.243 -2.619 -1.049 1.00 0.00 N ATOM 322 CA ASN A 31 -14.682 -3.599 -0.035 1.00 0.00 C ATOM 323 C ASN A 31 -13.737 -4.757 0.369 1.00 0.00 C ATOM 324 O ASN A 31 -14.056 -5.500 1.302 1.00 0.00 O ATOM 325 CB ASN A 31 -16.078 -4.136 -0.375 1.00 0.00 C ATOM 326 CG ASN A 31 -16.228 -4.675 -1.809 1.00 0.00 C ATOM 327 OD1 ASN A 31 -15.459 -5.484 -2.308 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.193 -4.146 -2.517 1.00 0.00 N ATOM 0 H ASN A 31 -14.640 -2.803 -1.970 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.678 -2.992 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.327 -4.933 0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.806 -3.339 -0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.310 -4.408 -3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.828 -3.472 -2.090 1.00 0.00 H new ATOM 332 N ASN A 32 -12.634 -4.977 -0.340 1.00 0.00 N ATOM 333 CA ASN A 32 -11.702 -6.078 0.008 1.00 0.00 C ATOM 334 C ASN A 32 -10.395 -5.567 0.631 1.00 0.00 C ATOM 335 O ASN A 32 -9.475 -5.124 -0.067 1.00 0.00 O ATOM 336 CB ASN A 32 -11.418 -6.981 -1.204 1.00 0.00 C ATOM 337 CG ASN A 32 -12.647 -7.590 -1.883 1.00 0.00 C ATOM 338 OD1 ASN A 32 -12.708 -7.737 -3.095 1.00 0.00 O ATOM 339 ND2 ASN A 32 -13.669 -7.928 -1.130 1.00 0.00 N ATOM 0 H ASN A 32 -12.354 -4.424 -1.150 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.204 -6.678 0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.867 -6.401 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.764 -7.792 -0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.512 -8.312 -1.557 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.620 -7.806 -0.119 1.00 0.00 H new ATOM 343 N VAL A 33 -10.330 -5.628 1.956 1.00 0.00 N ATOM 344 CA VAL A 33 -9.153 -5.154 2.726 1.00 0.00 C ATOM 345 C VAL A 33 -8.686 -6.219 3.734 1.00 0.00 C ATOM 346 O VAL A 33 -9.457 -6.666 4.582 1.00 0.00 O ATOM 347 CB VAL A 33 -9.482 -3.821 3.440 1.00 0.00 C ATOM 348 CG1 VAL A 33 -8.256 -3.249 4.154 1.00 0.00 C ATOM 349 CG2 VAL A 33 -10.003 -2.746 2.480 1.00 0.00 C ATOM 0 H VAL A 33 -11.080 -6.003 2.537 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.334 -4.979 2.029 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.263 -4.069 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.524 -2.313 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.904 -3.962 4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.465 -3.064 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.217 -1.834 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.248 -2.539 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.915 -3.099 1.998 1.00 0.00 H new ATOM 351 N GLU A 34 -7.404 -6.582 3.642 1.00 0.00 N ATOM 352 CA GLU A 34 -6.773 -7.571 4.528 1.00 0.00 C ATOM 353 C GLU A 34 -5.743 -6.877 5.436 1.00 0.00 C ATOM 354 O GLU A 34 -5.231 -5.807 5.097 1.00 0.00 O ATOM 355 CB GLU A 34 -6.156 -8.692 3.679 1.00 0.00 C ATOM 356 CG GLU A 34 -7.187 -9.588 2.978 1.00 0.00 C ATOM 357 CD GLU A 34 -8.006 -8.900 1.872 1.00 0.00 C ATOM 358 OE1 GLU A 34 -7.393 -8.432 0.884 1.00 0.00 O ATOM 359 OE2 GLU A 34 -9.243 -8.860 2.028 1.00 0.00 O ATOM 0 H GLU A 34 -6.767 -6.196 2.945 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.516 -8.027 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.506 -8.247 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.526 -9.312 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.668 -10.443 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.875 -9.979 3.728 1.00 0.00 H new ATOM 361 N GLU A 35 -5.346 -7.573 6.501 1.00 0.00 N ATOM 362 CA GLU A 35 -4.420 -7.020 7.510 1.00 0.00 C ATOM 363 C GLU A 35 -3.100 -7.750 7.749 1.00 0.00 C ATOM 364 O GLU A 35 -3.038 -8.961 7.932 1.00 0.00 O ATOM 365 CB GLU A 35 -5.169 -6.898 8.854 1.00 0.00 C ATOM 366 CG GLU A 35 -4.370 -6.229 9.975 1.00 0.00 C ATOM 367 CD GLU A 35 -5.167 -6.136 11.280 1.00 0.00 C ATOM 368 OE1 GLU A 35 -5.187 -7.156 11.999 1.00 0.00 O ATOM 369 OE2 GLU A 35 -5.719 -5.052 11.549 1.00 0.00 O ATOM 0 H GLU A 35 -5.649 -8.527 6.695 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.114 -6.064 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.086 -6.332 8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.463 -7.895 9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.453 -6.792 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.074 -5.228 9.660 1.00 0.00 H new ATOM 371 N ALA A 36 -2.056 -6.919 7.730 1.00 0.00 N ATOM 372 CA ALA A 36 -0.667 -7.289 8.052 1.00 0.00 C ATOM 373 C ALA A 36 -0.067 -6.176 8.930 1.00 0.00 C ATOM 374 O ALA A 36 -0.468 -5.021 8.836 1.00 0.00 O ATOM 375 CB ALA A 36 0.139 -7.475 6.773 1.00 0.00 C ATOM 0 H ALA A 36 -2.153 -5.934 7.482 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.640 -8.235 8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.164 -7.748 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.310 -8.266 6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.141 -6.544 6.206 1.00 0.00 H new ATOM 377 N GLU A 37 0.860 -6.533 9.813 1.00 0.00 N ATOM 378 CA GLU A 37 1.473 -5.526 10.715 1.00 0.00 C ATOM 379 C GLU A 37 2.869 -5.040 10.307 1.00 0.00 C ATOM 380 O GLU A 37 3.127 -3.846 10.252 1.00 0.00 O ATOM 381 CB GLU A 37 1.468 -5.983 12.181 1.00 0.00 C ATOM 382 CG GLU A 37 0.063 -6.179 12.774 1.00 0.00 C ATOM 383 CD GLU A 37 -0.793 -4.903 12.821 1.00 0.00 C ATOM 384 OE1 GLU A 37 -0.536 -4.067 13.715 1.00 0.00 O ATOM 385 OE2 GLU A 37 -1.759 -4.860 12.026 1.00 0.00 O ATOM 0 H GLU A 37 1.206 -7.485 9.934 1.00 0.00 H new ATOM 0 HA GLU A 37 0.822 -4.658 10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.018 -6.921 12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.004 -5.248 12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.463 -6.933 12.188 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.161 -6.573 13.786 1.00 0.00 H new ATOM 387 N ASP A 38 3.698 -5.980 9.868 1.00 0.00 N ATOM 388 CA ASP A 38 5.081 -5.694 9.471 1.00 0.00 C ATOM 389 C ASP A 38 5.365 -6.324 8.094 1.00 0.00 C ATOM 390 O ASP A 38 4.709 -7.301 7.722 1.00 0.00 O ATOM 391 CB ASP A 38 6.036 -6.238 10.537 1.00 0.00 C ATOM 392 CG ASP A 38 7.503 -5.992 10.176 1.00 0.00 C ATOM 393 OD1 ASP A 38 7.817 -4.806 9.921 1.00 0.00 O ATOM 394 OD2 ASP A 38 8.167 -6.988 9.819 1.00 0.00 O ATOM 0 H ASP A 38 3.436 -6.961 9.776 1.00 0.00 H new ATOM 0 HA ASP A 38 5.232 -4.618 9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.815 -5.767 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.868 -7.308 10.661 1.00 0.00 H new ATOM 396 N GLY A 39 6.401 -5.804 7.443 1.00 0.00 N ATOM 397 CA GLY A 39 6.919 -6.255 6.145 1.00 0.00 C ATOM 398 C GLY A 39 6.932 -7.778 5.944 1.00 0.00 C ATOM 399 O GLY A 39 6.305 -8.304 5.026 1.00 0.00 O ATOM 0 H GLY A 39 6.931 -5.019 7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.318 -5.805 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.935 -5.879 6.026 1.00 0.00 H new ATOM 401 N VAL A 40 7.524 -8.467 6.920 1.00 0.00 N ATOM 402 CA VAL A 40 7.617 -9.945 6.924 1.00 0.00 C ATOM 403 C VAL A 40 6.219 -10.593 6.845 1.00 0.00 C ATOM 404 O VAL A 40 5.896 -11.231 5.845 1.00 0.00 O ATOM 405 CB VAL A 40 8.423 -10.441 8.138 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.535 -11.973 8.147 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.840 -9.853 8.164 1.00 0.00 C ATOM 0 H VAL A 40 7.955 -8.026 7.733 1.00 0.00 H new ATOM 0 HA VAL A 40 8.158 -10.256 6.031 1.00 0.00 H new ATOM 0 HB VAL A 40 7.878 -10.105 9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.110 -12.291 9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.538 -12.410 8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.037 -12.306 7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.374 -10.229 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.372 -10.146 7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.782 -8.766 8.215 1.00 0.00 H new ATOM 409 N ASP A 41 5.349 -10.234 7.797 1.00 0.00 N ATOM 410 CA ASP A 41 3.958 -10.735 7.877 1.00 0.00 C ATOM 411 C ASP A 41 3.186 -10.465 6.572 1.00 0.00 C ATOM 412 O ASP A 41 2.436 -11.317 6.092 1.00 0.00 O ATOM 413 CB ASP A 41 3.181 -10.071 9.020 1.00 0.00 C ATOM 414 CG ASP A 41 3.842 -10.271 10.386 1.00 0.00 C ATOM 415 OD1 ASP A 41 4.831 -9.547 10.616 1.00 0.00 O ATOM 416 OD2 ASP A 41 3.292 -11.060 11.181 1.00 0.00 O ATOM 0 H ASP A 41 5.587 -9.581 8.544 1.00 0.00 H new ATOM 0 HA ASP A 41 4.036 -11.808 8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.091 -9.004 8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.170 -10.477 9.049 1.00 0.00 H new ATOM 418 N ALA A 42 3.465 -9.303 5.991 1.00 0.00 N ATOM 419 CA ALA A 42 2.876 -8.844 4.725 1.00 0.00 C ATOM 420 C ALA A 42 3.201 -9.802 3.578 1.00 0.00 C ATOM 421 O ALA A 42 2.261 -10.328 2.999 1.00 0.00 O ATOM 422 CB ALA A 42 3.364 -7.434 4.421 1.00 0.00 C ATOM 0 H ALA A 42 4.122 -8.634 6.392 1.00 0.00 H new ATOM 0 HA ALA A 42 1.791 -8.829 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.928 -7.093 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.063 -6.763 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.451 -7.435 4.337 1.00 0.00 H new ATOM 424 N LEU A 43 4.466 -10.174 3.411 1.00 0.00 N ATOM 425 CA LEU A 43 4.895 -11.140 2.373 1.00 0.00 C ATOM 426 C LEU A 43 4.182 -12.493 2.537 1.00 0.00 C ATOM 427 O LEU A 43 3.615 -13.022 1.595 1.00 0.00 O ATOM 428 CB LEU A 43 6.414 -11.338 2.372 1.00 0.00 C ATOM 429 CG LEU A 43 7.153 -10.150 1.758 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.631 -10.242 2.099 1.00 0.00 C ATOM 431 CD2 LEU A 43 6.958 -10.063 0.239 1.00 0.00 C ATOM 0 H LEU A 43 5.232 -9.822 3.985 1.00 0.00 H new ATOM 0 HA LEU A 43 4.611 -10.714 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.759 -11.489 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.660 -12.243 1.816 1.00 0.00 H new ATOM 0 HG LEU A 43 6.731 -9.239 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.159 -9.395 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.756 -10.227 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.040 -11.170 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.503 -9.202 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.335 -10.972 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.897 -9.952 0.014 1.00 0.00 H new ATOM 433 N ASN A 44 4.120 -12.961 3.786 1.00 0.00 N ATOM 434 CA ASN A 44 3.436 -14.219 4.152 1.00 0.00 C ATOM 435 C ASN A 44 1.974 -14.188 3.656 1.00 0.00 C ATOM 436 O ASN A 44 1.554 -15.037 2.868 1.00 0.00 O ATOM 437 CB ASN A 44 3.482 -14.373 5.681 1.00 0.00 C ATOM 438 CG ASN A 44 4.904 -14.530 6.243 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.332 -13.801 7.125 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.707 -15.408 5.690 1.00 0.00 N ATOM 0 H ASN A 44 4.543 -12.481 4.581 1.00 0.00 H new ATOM 0 HA ASN A 44 3.935 -15.067 3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.014 -13.502 6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.889 -15.242 5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.677 -15.476 5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.361 -16.022 4.953 1.00 0.00 H new ATOM 444 N LYS A 45 1.279 -13.118 4.039 1.00 0.00 N ATOM 445 CA LYS A 45 -0.110 -12.804 3.641 1.00 0.00 C ATOM 446 C LYS A 45 -0.250 -12.657 2.117 1.00 0.00 C ATOM 447 O LYS A 45 -1.041 -13.363 1.488 1.00 0.00 O ATOM 448 CB LYS A 45 -0.532 -11.495 4.320 1.00 0.00 C ATOM 449 CG LYS A 45 -0.929 -11.624 5.792 1.00 0.00 C ATOM 450 CD LYS A 45 -2.284 -12.315 5.947 1.00 0.00 C ATOM 451 CE LYS A 45 -2.723 -12.328 7.415 1.00 0.00 C ATOM 452 NZ LYS A 45 -4.031 -12.979 7.524 1.00 0.00 N ATOM 0 H LYS A 45 1.676 -12.412 4.660 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.751 -13.628 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.290 -10.783 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.373 -11.073 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.167 -12.190 6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.970 -10.634 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.031 -11.800 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.221 -13.337 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.989 -12.858 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.778 -11.309 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.332 -12.989 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.728 -12.455 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.963 -13.956 7.173 1.00 0.00 H new ATOM 457 N LEU A 46 0.620 -11.836 1.531 1.00 0.00 N ATOM 458 CA LEU A 46 0.693 -11.519 0.095 1.00 0.00 C ATOM 459 C LEU A 46 0.819 -12.738 -0.825 1.00 0.00 C ATOM 460 O LEU A 46 0.016 -12.902 -1.747 1.00 0.00 O ATOM 461 CB LEU A 46 1.862 -10.578 -0.209 1.00 0.00 C ATOM 462 CG LEU A 46 1.490 -9.116 0.012 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.743 -8.246 0.077 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.536 -8.620 -1.085 1.00 0.00 C ATOM 0 H LEU A 46 1.334 -11.345 2.069 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.264 -11.043 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.710 -10.836 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.182 -10.719 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 46 0.971 -9.039 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.456 -7.206 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.374 -8.578 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.295 -8.332 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.286 -7.575 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.019 -8.715 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.375 -9.218 -1.073 1.00 0.00 H new ATOM 466 N GLN A 47 1.759 -13.618 -0.490 1.00 0.00 N ATOM 467 CA GLN A 47 2.038 -14.856 -1.248 1.00 0.00 C ATOM 468 C GLN A 47 0.844 -15.808 -1.425 1.00 0.00 C ATOM 469 O GLN A 47 0.844 -16.632 -2.337 1.00 0.00 O ATOM 470 CB GLN A 47 3.269 -15.583 -0.669 1.00 0.00 C ATOM 471 CG GLN A 47 4.587 -15.148 -1.340 1.00 0.00 C ATOM 472 CD GLN A 47 5.185 -13.815 -0.882 1.00 0.00 C ATOM 473 OE1 GLN A 47 4.621 -12.729 -0.947 1.00 0.00 O ATOM 474 NE2 GLN A 47 6.451 -13.841 -0.519 1.00 0.00 N ATOM 0 H GLN A 47 2.361 -13.499 0.324 1.00 0.00 H new ATOM 0 HA GLN A 47 2.258 -14.524 -2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.330 -15.389 0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.141 -16.659 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.328 -15.929 -1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.419 -15.094 -2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.945 -14.731 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.937 -12.971 -0.300 1.00 0.00 H new ATOM 478 N ALA A 48 -0.189 -15.624 -0.601 1.00 0.00 N ATOM 479 CA ALA A 48 -1.451 -16.400 -0.693 1.00 0.00 C ATOM 480 C ALA A 48 -2.236 -16.099 -1.986 1.00 0.00 C ATOM 481 O ALA A 48 -3.121 -16.866 -2.360 1.00 0.00 O ATOM 482 CB ALA A 48 -2.311 -16.106 0.544 1.00 0.00 C ATOM 0 H ALA A 48 -0.186 -14.936 0.152 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.196 -17.459 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.240 -16.672 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.767 -16.396 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.538 -15.041 0.585 1.00 0.00 H new ATOM 484 N GLY A 49 -1.931 -14.959 -2.605 1.00 0.00 N ATOM 485 CA GLY A 49 -2.533 -14.498 -3.865 1.00 0.00 C ATOM 486 C GLY A 49 -3.745 -13.577 -3.681 1.00 0.00 C ATOM 487 O GLY A 49 -4.008 -13.054 -2.591 1.00 0.00 O ATOM 0 H GLY A 49 -1.238 -14.308 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.775 -13.972 -4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.836 -15.367 -4.449 1.00 0.00 H new ATOM 489 N GLY A 50 -4.314 -13.198 -4.823 1.00 0.00 N ATOM 490 CA GLY A 50 -5.504 -12.323 -4.928 1.00 0.00 C ATOM 491 C GLY A 50 -5.263 -10.812 -4.743 1.00 0.00 C ATOM 492 O GLY A 50 -6.046 -10.009 -5.266 1.00 0.00 O ATOM 0 H GLY A 50 -3.958 -13.493 -5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.957 -12.479 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.232 -12.646 -4.184 1.00 0.00 H new ATOM 494 N TYR A 51 -4.199 -10.441 -4.039 1.00 0.00 N ATOM 495 CA TYR A 51 -3.871 -9.024 -3.770 1.00 0.00 C ATOM 496 C TYR A 51 -3.428 -8.225 -4.993 1.00 0.00 C ATOM 497 O TYR A 51 -2.338 -8.422 -5.546 1.00 0.00 O ATOM 498 CB TYR A 51 -2.802 -8.864 -2.688 1.00 0.00 C ATOM 499 CG TYR A 51 -3.212 -9.526 -1.378 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.120 -8.873 -0.531 1.00 0.00 C ATOM 501 CD2 TYR A 51 -2.673 -10.797 -1.077 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.489 -9.508 0.664 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.055 -11.430 0.125 1.00 0.00 C ATOM 504 CZ TYR A 51 -3.953 -10.775 0.973 1.00 0.00 C ATOM 505 OH TYR A 51 -4.248 -11.350 2.173 1.00 0.00 O ATOM 0 H TYR A 51 -3.535 -11.102 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.822 -8.615 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.865 -9.299 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.616 -7.804 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.524 -7.906 -0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.981 -11.275 -1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.179 -9.030 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.661 -12.402 0.385 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.805 -12.222 2.236 1.00 0.00 H new ATOM 508 N GLY A 52 -4.296 -7.278 -5.329 1.00 0.00 N ATOM 509 CA GLY A 52 -4.080 -6.327 -6.426 1.00 0.00 C ATOM 510 C GLY A 52 -3.551 -4.976 -5.921 1.00 0.00 C ATOM 511 O GLY A 52 -3.530 -4.023 -6.696 1.00 0.00 O ATOM 0 H GLY A 52 -5.183 -7.143 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.372 -6.750 -7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.017 -6.172 -6.961 1.00 0.00 H new ATOM 513 N PHE A 53 -3.256 -4.887 -4.626 1.00 0.00 N ATOM 514 CA PHE A 53 -2.736 -3.662 -3.979 1.00 0.00 C ATOM 515 C PHE A 53 -2.119 -3.898 -2.595 1.00 0.00 C ATOM 516 O PHE A 53 -2.618 -4.685 -1.780 1.00 0.00 O ATOM 517 CB PHE A 53 -3.879 -2.657 -3.809 1.00 0.00 C ATOM 518 CG PHE A 53 -3.486 -1.232 -4.161 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.594 -0.501 -3.346 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.076 -0.646 -5.309 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.277 0.830 -3.680 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.762 0.690 -5.636 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.866 1.408 -4.822 1.00 0.00 C ATOM 0 H PHE A 53 -3.369 -5.668 -3.979 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.946 -3.292 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.717 -2.961 -4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.228 -2.686 -2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.157 -0.960 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.757 -1.215 -5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.592 1.400 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.205 1.157 -6.503 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.624 2.428 -5.079 1.00 0.00 H new ATOM 525 N VAL A 54 -1.062 -3.136 -2.336 1.00 0.00 N ATOM 526 CA VAL A 54 -0.308 -3.140 -1.061 1.00 0.00 C ATOM 527 C VAL A 54 -0.207 -1.680 -0.558 1.00 0.00 C ATOM 528 O VAL A 54 0.311 -0.800 -1.237 1.00 0.00 O ATOM 529 CB VAL A 54 1.109 -3.723 -1.218 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.783 -3.904 0.153 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.119 -5.076 -1.921 1.00 0.00 C ATOM 0 H VAL A 54 -0.686 -2.476 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.839 -3.773 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 54 1.655 -3.004 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.782 -4.317 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.855 -2.938 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.190 -4.585 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.145 -5.436 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.529 -5.789 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.691 -4.971 -2.918 1.00 0.00 H new ATOM 533 N ILE A 55 -0.751 -1.461 0.628 1.00 0.00 N ATOM 534 CA ILE A 55 -0.732 -0.156 1.324 1.00 0.00 C ATOM 535 C ILE A 55 0.158 -0.391 2.553 1.00 0.00 C ATOM 536 O ILE A 55 -0.264 -1.040 3.509 1.00 0.00 O ATOM 537 CB ILE A 55 -2.166 0.319 1.633 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.902 0.694 0.337 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.177 1.475 2.652 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.370 1.096 0.491 1.00 0.00 C ATOM 0 H ILE A 55 -1.231 -2.190 1.156 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.324 0.661 0.729 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.702 -0.510 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.368 1.519 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.848 -0.154 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.205 1.781 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.718 1.143 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.616 2.319 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.785 1.339 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.930 0.269 0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.442 1.967 1.142 1.00 0.00 H new ATOM 542 N SER A 56 1.398 0.080 2.482 1.00 0.00 N ATOM 543 CA SER A 56 2.359 -0.144 3.582 1.00 0.00 C ATOM 544 C SER A 56 2.934 1.078 4.291 1.00 0.00 C ATOM 545 O SER A 56 3.347 2.066 3.688 1.00 0.00 O ATOM 546 CB SER A 56 3.482 -1.090 3.139 1.00 0.00 C ATOM 547 OG SER A 56 4.513 -1.192 4.124 1.00 0.00 O ATOM 0 H SER A 56 1.767 0.612 1.694 1.00 0.00 H new ATOM 0 HA SER A 56 1.737 -0.599 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.068 -2.079 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.909 -0.733 2.202 1.00 0.00 H new ATOM 0 HG SER A 56 4.117 -1.139 5.019 1.00 0.00 H new ATOM 550 N ASP A 57 2.868 0.964 5.622 1.00 0.00 N ATOM 551 CA ASP A 57 3.390 1.967 6.566 1.00 0.00 C ATOM 552 C ASP A 57 4.922 1.936 6.562 1.00 0.00 C ATOM 553 O ASP A 57 5.540 0.909 6.823 1.00 0.00 O ATOM 554 CB ASP A 57 2.840 1.614 7.959 1.00 0.00 C ATOM 555 CG ASP A 57 3.155 2.596 9.096 1.00 0.00 C ATOM 556 OD1 ASP A 57 3.997 3.498 8.899 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.572 2.356 10.175 1.00 0.00 O ATOM 0 H ASP A 57 2.444 0.160 6.085 1.00 0.00 H new ATOM 0 HA ASP A 57 3.079 2.973 6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.757 1.519 7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.227 0.634 8.239 1.00 0.00 H new ATOM 559 N TRP A 58 5.514 3.102 6.307 1.00 0.00 N ATOM 560 CA TRP A 58 6.988 3.264 6.291 1.00 0.00 C ATOM 561 C TRP A 58 7.615 2.795 7.617 1.00 0.00 C ATOM 562 O TRP A 58 8.527 1.967 7.604 1.00 0.00 O ATOM 563 CB TRP A 58 7.374 4.725 6.039 1.00 0.00 C ATOM 564 CG TRP A 58 8.793 4.868 5.472 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.919 5.019 6.168 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.132 5.007 4.134 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.946 5.256 5.346 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.513 5.261 4.085 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.371 4.930 2.958 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.161 5.429 2.839 1.00 0.00 C ATOM 571 CZ3 TRP A 58 9.021 5.061 1.712 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.416 5.306 1.662 1.00 0.00 C ATOM 0 H TRP A 58 5.001 3.960 6.106 1.00 0.00 H new ATOM 0 HA TRP A 58 7.372 2.645 5.480 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.662 5.171 5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.301 5.283 6.973 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.992 4.958 7.244 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.911 5.409 5.638 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.304 4.773 3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.217 5.649 2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.455 4.974 0.796 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.909 5.399 0.705 1.00 0.00 H new ATOM 575 N ASN A 59 6.922 3.110 8.707 1.00 0.00 N ATOM 576 CA ASN A 59 7.342 2.745 10.070 1.00 0.00 C ATOM 577 C ASN A 59 6.740 1.389 10.483 1.00 0.00 C ATOM 578 O ASN A 59 5.544 1.275 10.742 1.00 0.00 O ATOM 579 CB ASN A 59 6.932 3.870 11.025 1.00 0.00 C ATOM 580 CG ASN A 59 7.570 3.697 12.402 1.00 0.00 C ATOM 581 OD1 ASN A 59 8.768 3.788 12.586 1.00 0.00 O ATOM 582 ND2 ASN A 59 6.762 3.323 13.377 1.00 0.00 N ATOM 0 H ASN A 59 6.045 3.630 8.677 1.00 0.00 H new ATOM 0 HA ASN A 59 8.425 2.628 10.109 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.227 4.831 10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.847 3.886 11.125 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.141 3.106 14.299 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.759 3.251 13.208 1.00 0.00 H new ATOM 586 N MET A 60 7.557 0.367 10.243 1.00 0.00 N ATOM 587 CA MET A 60 7.286 -1.050 10.551 1.00 0.00 C ATOM 588 C MET A 60 8.565 -1.714 11.095 1.00 0.00 C ATOM 589 O MET A 60 9.607 -1.622 10.448 1.00 0.00 O ATOM 590 CB MET A 60 6.768 -1.778 9.292 1.00 0.00 C ATOM 591 CG MET A 60 5.346 -1.381 8.914 1.00 0.00 C ATOM 592 SD MET A 60 4.605 -2.377 7.576 1.00 0.00 S ATOM 593 CE MET A 60 5.929 -2.519 6.389 1.00 0.00 C ATOM 0 H MET A 60 8.470 0.501 9.809 1.00 0.00 H new ATOM 0 HA MET A 60 6.512 -1.116 11.316 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.433 -1.563 8.456 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.806 -2.854 9.461 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.714 -1.459 9.799 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.344 -0.334 8.612 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.551 -2.980 5.476 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.320 -1.528 6.160 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.725 -3.137 6.804 1.00 0.00 H new ATOM 595 N PRO A 61 8.526 -2.290 12.310 1.00 0.00 N ATOM 596 CA PRO A 61 9.693 -2.930 12.958 1.00 0.00 C ATOM 597 C PRO A 61 10.261 -4.116 12.157 1.00 0.00 C ATOM 598 O PRO A 61 9.538 -5.049 11.831 1.00 0.00 O ATOM 599 CB PRO A 61 9.212 -3.347 14.344 1.00 0.00 C ATOM 600 CG PRO A 61 7.700 -3.503 14.177 1.00 0.00 C ATOM 601 CD PRO A 61 7.332 -2.413 13.169 1.00 0.00 C ATOM 0 HA PRO A 61 10.530 -2.234 13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.677 -4.279 14.664 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.456 -2.595 15.094 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.438 -4.495 13.808 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.176 -3.367 15.123 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.452 -2.689 12.589 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.103 -1.471 13.668 1.00 0.00 H new ATOM 602 N ASN A 62 11.568 -4.046 11.921 1.00 0.00 N ATOM 603 CA ASN A 62 12.370 -5.028 11.145 1.00 0.00 C ATOM 604 C ASN A 62 12.273 -4.826 9.628 1.00 0.00 C ATOM 605 O ASN A 62 13.253 -4.383 9.030 1.00 0.00 O ATOM 606 CB ASN A 62 12.176 -6.491 11.553 1.00 0.00 C ATOM 607 CG ASN A 62 12.865 -6.783 12.889 1.00 0.00 C ATOM 608 OD1 ASN A 62 12.440 -6.367 13.958 1.00 0.00 O ATOM 609 ND2 ASN A 62 14.020 -7.400 12.824 1.00 0.00 N ATOM 0 H ASN A 62 12.135 -3.276 12.274 1.00 0.00 H new ATOM 0 HA ASN A 62 13.397 -4.798 11.428 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.112 -6.712 11.632 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.581 -7.145 10.780 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.573 -7.537 13.670 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.365 -7.743 11.928 1.00 0.00 H new ATOM 613 N MET A 63 11.097 -5.029 9.033 1.00 0.00 N ATOM 614 CA MET A 63 10.941 -4.815 7.585 1.00 0.00 C ATOM 615 C MET A 63 9.959 -3.659 7.344 1.00 0.00 C ATOM 616 O MET A 63 8.741 -3.817 7.434 1.00 0.00 O ATOM 617 CB MET A 63 10.519 -6.108 6.884 1.00 0.00 C ATOM 618 CG MET A 63 10.636 -5.960 5.361 1.00 0.00 C ATOM 619 SD MET A 63 9.990 -7.367 4.379 1.00 0.00 S ATOM 620 CE MET A 63 11.272 -8.572 4.609 1.00 0.00 C ATOM 0 H MET A 63 10.252 -5.335 9.515 1.00 0.00 H new ATOM 0 HA MET A 63 11.899 -4.534 7.148 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.145 -6.933 7.224 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.492 -6.355 7.153 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.107 -5.056 5.060 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.686 -5.814 5.107 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.000 -9.495 4.097 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.207 -8.191 4.198 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.398 -8.771 5.673 1.00 0.00 H new ATOM 622 N ASP A 64 10.573 -2.484 7.332 1.00 0.00 N ATOM 623 CA ASP A 64 9.894 -1.186 7.095 1.00 0.00 C ATOM 624 C ASP A 64 9.233 -1.119 5.703 1.00 0.00 C ATOM 625 O ASP A 64 9.623 -1.870 4.812 1.00 0.00 O ATOM 626 CB ASP A 64 10.878 -0.042 7.327 1.00 0.00 C ATOM 627 CG ASP A 64 12.081 -0.047 6.380 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.882 0.337 5.207 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.145 -0.527 6.832 1.00 0.00 O ATOM 0 H ASP A 64 11.576 -2.388 7.488 1.00 0.00 H new ATOM 0 HA ASP A 64 9.078 -1.087 7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.349 0.905 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.238 -0.091 8.355 1.00 0.00 H new ATOM 631 N GLY A 65 8.412 -0.090 5.495 1.00 0.00 N ATOM 632 CA GLY A 65 7.671 0.162 4.240 1.00 0.00 C ATOM 633 C GLY A 65 8.524 0.046 2.972 1.00 0.00 C ATOM 634 O GLY A 65 8.291 -0.820 2.132 1.00 0.00 O ATOM 0 H GLY A 65 8.233 0.616 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.843 -0.543 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.237 1.161 4.282 1.00 0.00 H new ATOM 636 N LEU A 66 9.633 0.786 2.963 1.00 0.00 N ATOM 637 CA LEU A 66 10.590 0.819 1.842 1.00 0.00 C ATOM 638 C LEU A 66 11.139 -0.579 1.512 1.00 0.00 C ATOM 639 O LEU A 66 11.027 -1.028 0.373 1.00 0.00 O ATOM 640 CB LEU A 66 11.703 1.814 2.223 1.00 0.00 C ATOM 641 CG LEU A 66 12.770 1.969 1.142 1.00 0.00 C ATOM 642 CD1 LEU A 66 12.220 2.521 -0.182 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.846 2.934 1.616 1.00 0.00 C ATOM 0 H LEU A 66 9.901 1.389 3.741 1.00 0.00 H new ATOM 0 HA LEU A 66 10.094 1.148 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.257 2.788 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.177 1.482 3.147 1.00 0.00 H new ATOM 0 HG LEU A 66 13.162 0.968 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.031 2.606 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.457 1.845 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.781 3.504 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.605 3.041 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.398 3.906 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.307 2.547 2.525 1.00 0.00 H new ATOM 645 N GLU A 67 11.506 -1.328 2.550 1.00 0.00 N ATOM 646 CA GLU A 67 12.029 -2.704 2.396 1.00 0.00 C ATOM 647 C GLU A 67 10.981 -3.686 1.857 1.00 0.00 C ATOM 648 O GLU A 67 11.250 -4.396 0.890 1.00 0.00 O ATOM 649 CB GLU A 67 12.685 -3.211 3.695 1.00 0.00 C ATOM 650 CG GLU A 67 13.883 -2.362 4.142 1.00 0.00 C ATOM 651 CD GLU A 67 14.946 -2.162 3.056 1.00 0.00 C ATOM 652 OE1 GLU A 67 15.683 -3.134 2.789 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.018 -1.023 2.545 1.00 0.00 O ATOM 0 H GLU A 67 11.454 -1.011 3.518 1.00 0.00 H new ATOM 0 HA GLU A 67 12.809 -2.654 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.939 -3.222 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.012 -4.241 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.522 -1.386 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.347 -2.835 5.008 1.00 0.00 H new ATOM 655 N LEU A 68 9.744 -3.561 2.347 1.00 0.00 N ATOM 656 CA LEU A 68 8.602 -4.387 1.895 1.00 0.00 C ATOM 657 C LEU A 68 8.314 -4.171 0.392 1.00 0.00 C ATOM 658 O LEU A 68 8.189 -5.130 -0.370 1.00 0.00 O ATOM 659 CB LEU A 68 7.361 -4.091 2.750 1.00 0.00 C ATOM 660 CG LEU A 68 6.118 -4.871 2.290 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.307 -6.386 2.383 1.00 0.00 C ATOM 662 CD2 LEU A 68 4.901 -4.442 3.095 1.00 0.00 C ATOM 0 H LEU A 68 9.498 -2.885 3.070 1.00 0.00 H new ATOM 0 HA LEU A 68 8.865 -5.437 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.575 -4.338 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.147 -3.023 2.714 1.00 0.00 H new ATOM 0 HG LEU A 68 5.962 -4.633 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.400 -6.887 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.143 -6.688 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.513 -6.664 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.028 -5.001 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.076 -4.641 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.726 -3.376 2.950 1.00 0.00 H new ATOM 664 N LEU A 69 8.364 -2.905 -0.009 1.00 0.00 N ATOM 665 CA LEU A 69 8.187 -2.454 -1.406 1.00 0.00 C ATOM 666 C LEU A 69 9.149 -3.207 -2.354 1.00 0.00 C ATOM 667 O LEU A 69 8.694 -3.912 -3.262 1.00 0.00 O ATOM 668 CB LEU A 69 8.380 -0.937 -1.332 1.00 0.00 C ATOM 669 CG LEU A 69 8.833 -0.205 -2.595 1.00 0.00 C ATOM 670 CD1 LEU A 69 7.884 -0.417 -3.771 1.00 0.00 C ATOM 671 CD2 LEU A 69 8.963 1.277 -2.260 1.00 0.00 C ATOM 0 H LEU A 69 8.533 -2.135 0.638 1.00 0.00 H new ATOM 0 HA LEU A 69 7.210 -2.678 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.436 -0.496 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.109 -0.732 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 69 9.793 -0.613 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.255 0.126 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.826 -1.480 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.892 -0.048 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.286 1.823 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.998 1.661 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.698 1.407 -1.466 1.00 0.00 H new ATOM 673 N LYS A 70 10.400 -3.311 -1.920 1.00 0.00 N ATOM 674 CA LYS A 70 11.489 -4.010 -2.651 1.00 0.00 C ATOM 675 C LYS A 70 11.203 -5.519 -2.767 1.00 0.00 C ATOM 676 O LYS A 70 11.240 -6.068 -3.868 1.00 0.00 O ATOM 677 CB LYS A 70 12.818 -3.709 -1.958 1.00 0.00 C ATOM 678 CG LYS A 70 13.147 -2.217 -2.065 1.00 0.00 C ATOM 679 CD LYS A 70 13.912 -1.668 -0.855 1.00 0.00 C ATOM 680 CE LYS A 70 15.427 -1.870 -0.894 1.00 0.00 C ATOM 681 NZ LYS A 70 16.025 -1.015 -1.939 1.00 0.00 N ATOM 0 H LYS A 70 10.708 -2.909 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 70 11.547 -3.642 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.764 -4.002 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.615 -4.298 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.738 -2.048 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.219 -1.657 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.706 -0.601 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.522 -2.141 0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.859 -1.628 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.657 -2.917 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.056 -0.974 -1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.812 -1.412 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.629 -0.056 -1.871 1.00 0.00 H new ATOM 686 N THR A 71 10.769 -6.141 -1.669 1.00 0.00 N ATOM 687 CA THR A 71 10.405 -7.580 -1.598 1.00 0.00 C ATOM 688 C THR A 71 9.243 -7.960 -2.537 1.00 0.00 C ATOM 689 O THR A 71 9.141 -9.113 -2.936 1.00 0.00 O ATOM 690 CB THR A 71 10.248 -8.075 -0.168 1.00 0.00 C ATOM 691 OG1 THR A 71 9.394 -7.255 0.629 1.00 0.00 O ATOM 692 CG2 THR A 71 11.618 -8.222 0.492 1.00 0.00 C ATOM 0 H THR A 71 10.654 -5.658 -0.778 1.00 0.00 H new ATOM 0 HA THR A 71 11.258 -8.132 -1.992 1.00 0.00 H new ATOM 0 HB THR A 71 9.762 -9.049 -0.229 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.874 -6.662 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.493 -8.577 1.515 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.218 -8.938 -0.070 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.122 -7.256 0.502 1.00 0.00 H new ATOM 695 N ILE A 72 8.396 -6.981 -2.873 1.00 0.00 N ATOM 696 CA ILE A 72 7.258 -7.137 -3.809 1.00 0.00 C ATOM 697 C ILE A 72 7.796 -6.966 -5.253 1.00 0.00 C ATOM 698 O ILE A 72 7.889 -7.942 -5.991 1.00 0.00 O ATOM 699 CB ILE A 72 6.141 -6.122 -3.497 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.636 -6.297 -2.051 1.00 0.00 C ATOM 701 CG2 ILE A 72 4.960 -6.258 -4.477 1.00 0.00 C ATOM 702 CD1 ILE A 72 4.998 -5.024 -1.486 1.00 0.00 C ATOM 0 H ILE A 72 8.477 -6.036 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 72 6.816 -8.127 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 72 6.569 -5.126 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.907 -7.107 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.469 -6.594 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.192 -5.526 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.309 -6.082 -5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.542 -7.262 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.661 -5.208 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.732 -4.218 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.146 -4.739 -2.103 1.00 0.00 H new ATOM 704 N ARG A 73 8.370 -5.785 -5.499 1.00 0.00 N ATOM 705 CA ARG A 73 8.970 -5.352 -6.785 1.00 0.00 C ATOM 706 C ARG A 73 9.948 -6.391 -7.390 1.00 0.00 C ATOM 707 O ARG A 73 9.893 -6.678 -8.586 1.00 0.00 O ATOM 708 CB ARG A 73 9.630 -3.990 -6.649 1.00 0.00 C ATOM 709 CG ARG A 73 8.738 -2.889 -7.247 1.00 0.00 C ATOM 710 CD ARG A 73 7.425 -2.706 -6.485 1.00 0.00 C ATOM 711 NE ARG A 73 6.555 -1.742 -7.172 1.00 0.00 N ATOM 712 CZ ARG A 73 5.253 -1.882 -7.405 1.00 0.00 C ATOM 713 NH1 ARG A 73 4.661 -3.052 -7.273 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.584 -0.913 -8.015 1.00 0.00 N ATOM 0 H ARG A 73 8.437 -5.064 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 73 8.144 -5.270 -7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.822 -3.777 -5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.596 -3.997 -7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.285 -1.946 -7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.518 -3.132 -8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.914 -3.665 -6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.632 -2.359 -5.473 1.00 0.00 H new ATOM 0 HE ARG A 73 6.992 -0.882 -7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.202 -3.868 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.661 -3.141 -7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.068 -0.063 -8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.585 -1.018 -8.195 1.00 0.00 H new ATOM 721 N ALA A 74 10.798 -6.967 -6.535 1.00 0.00 N ATOM 722 CA ALA A 74 11.805 -7.978 -6.907 1.00 0.00 C ATOM 723 C ALA A 74 11.296 -9.426 -6.988 1.00 0.00 C ATOM 724 O ALA A 74 11.942 -10.288 -7.603 1.00 0.00 O ATOM 725 CB ALA A 74 12.983 -7.888 -5.936 1.00 0.00 C ATOM 0 H ALA A 74 10.809 -6.741 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 74 12.103 -7.736 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.733 -8.632 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.424 -6.893 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.633 -8.075 -4.921 1.00 0.00 H new ATOM 727 N ASP A 75 10.108 -9.691 -6.439 1.00 0.00 N ATOM 728 CA ASP A 75 9.518 -11.049 -6.424 1.00 0.00 C ATOM 729 C ASP A 75 8.820 -11.312 -7.767 1.00 0.00 C ATOM 730 O ASP A 75 7.648 -10.991 -7.920 1.00 0.00 O ATOM 731 CB ASP A 75 8.547 -11.158 -5.246 1.00 0.00 C ATOM 732 CG ASP A 75 8.067 -12.594 -4.997 1.00 0.00 C ATOM 733 OD1 ASP A 75 7.318 -13.107 -5.859 1.00 0.00 O ATOM 734 OD2 ASP A 75 8.532 -13.183 -3.998 1.00 0.00 O ATOM 0 H ASP A 75 9.525 -8.982 -5.993 1.00 0.00 H new ATOM 0 HA ASP A 75 10.292 -11.806 -6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.033 -10.782 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.684 -10.519 -5.433 1.00 0.00 H new ATOM 736 N GLY A 76 9.576 -11.897 -8.694 1.00 0.00 N ATOM 737 CA GLY A 76 9.165 -12.280 -10.072 1.00 0.00 C ATOM 738 C GLY A 76 7.671 -12.138 -10.426 1.00 0.00 C ATOM 739 O GLY A 76 7.236 -11.096 -10.914 1.00 0.00 O ATOM 0 H GLY A 76 10.550 -12.136 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.738 -11.676 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.454 -13.318 -10.234 1.00 0.00 H new ATOM 741 N ALA A 77 6.886 -13.125 -9.987 1.00 0.00 N ATOM 742 CA ALA A 77 5.427 -13.189 -10.219 1.00 0.00 C ATOM 743 C ALA A 77 4.615 -11.990 -9.677 1.00 0.00 C ATOM 744 O ALA A 77 3.800 -11.422 -10.401 1.00 0.00 O ATOM 745 CB ALA A 77 4.901 -14.503 -9.640 1.00 0.00 C ATOM 0 H ALA A 77 7.244 -13.917 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 77 5.284 -13.140 -11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.825 -14.567 -9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.393 -15.341 -10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.109 -14.539 -8.571 1.00 0.00 H new ATOM 747 N MET A 78 4.918 -11.603 -8.447 1.00 0.00 N ATOM 748 CA MET A 78 4.280 -10.498 -7.697 1.00 0.00 C ATOM 749 C MET A 78 4.748 -9.056 -8.018 1.00 0.00 C ATOM 750 O MET A 78 4.108 -8.090 -7.607 1.00 0.00 O ATOM 751 CB MET A 78 4.560 -10.715 -6.210 1.00 0.00 C ATOM 752 CG MET A 78 3.659 -11.774 -5.557 1.00 0.00 C ATOM 753 SD MET A 78 3.975 -11.902 -3.760 1.00 0.00 S ATOM 754 CE MET A 78 3.753 -10.222 -3.230 1.00 0.00 C ATOM 0 H MET A 78 5.649 -12.065 -7.906 1.00 0.00 H new ATOM 0 HA MET A 78 3.232 -10.546 -7.993 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.602 -11.011 -6.086 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.433 -9.769 -5.684 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.613 -11.519 -5.727 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.832 -12.742 -6.028 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.863 -10.165 -2.147 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.502 -9.589 -3.705 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.757 -9.880 -3.512 1.00 0.00 H new ATOM 756 N SER A 79 5.844 -8.950 -8.766 1.00 0.00 N ATOM 757 CA SER A 79 6.506 -7.683 -9.147 1.00 0.00 C ATOM 758 C SER A 79 5.643 -6.415 -9.312 1.00 0.00 C ATOM 759 O SER A 79 5.737 -5.516 -8.485 1.00 0.00 O ATOM 760 CB SER A 79 7.374 -7.912 -10.385 1.00 0.00 C ATOM 761 OG SER A 79 8.122 -6.739 -10.682 1.00 0.00 O ATOM 0 H SER A 79 6.321 -9.769 -9.143 1.00 0.00 H new ATOM 0 HA SER A 79 7.095 -7.436 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.050 -8.750 -10.215 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.746 -8.177 -11.235 1.00 0.00 H new ATOM 0 HG SER A 79 8.881 -6.670 -10.066 1.00 0.00 H new ATOM 764 N ALA A 80 4.697 -6.448 -10.251 1.00 0.00 N ATOM 765 CA ALA A 80 3.829 -5.294 -10.583 1.00 0.00 C ATOM 766 C ALA A 80 2.606 -4.972 -9.699 1.00 0.00 C ATOM 767 O ALA A 80 1.838 -4.062 -10.033 1.00 0.00 O ATOM 768 CB ALA A 80 3.420 -5.439 -12.051 1.00 0.00 C ATOM 0 H ALA A 80 4.502 -7.277 -10.812 1.00 0.00 H new ATOM 0 HA ALA A 80 4.450 -4.423 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.778 -4.605 -12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.311 -5.440 -12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.879 -6.376 -12.187 1.00 0.00 H new ATOM 770 N LEU A 81 2.494 -5.573 -8.509 1.00 0.00 N ATOM 771 CA LEU A 81 1.353 -5.306 -7.607 1.00 0.00 C ATOM 772 C LEU A 81 1.490 -3.952 -6.883 1.00 0.00 C ATOM 773 O LEU A 81 2.248 -3.859 -5.921 1.00 0.00 O ATOM 774 CB LEU A 81 1.120 -6.455 -6.614 1.00 0.00 C ATOM 775 CG LEU A 81 0.760 -7.759 -7.334 1.00 0.00 C ATOM 776 CD1 LEU A 81 0.768 -8.920 -6.337 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.586 -7.675 -8.070 1.00 0.00 C ATOM 0 H LEU A 81 3.171 -6.244 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 81 0.467 -5.243 -8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.018 -6.606 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.319 -6.185 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 81 1.517 -7.934 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.511 -9.845 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.760 -9.014 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.038 -8.729 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.791 -8.626 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.379 -7.458 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.544 -6.882 -8.816 1.00 0.00 H new ATOM 779 N PRO A 82 0.705 -2.940 -7.279 1.00 0.00 N ATOM 780 CA PRO A 82 0.790 -1.559 -6.758 1.00 0.00 C ATOM 781 C PRO A 82 1.034 -1.393 -5.257 1.00 0.00 C ATOM 782 O PRO A 82 0.289 -1.883 -4.407 1.00 0.00 O ATOM 783 CB PRO A 82 -0.494 -0.847 -7.184 1.00 0.00 C ATOM 784 CG PRO A 82 -1.437 -1.973 -7.576 1.00 0.00 C ATOM 785 CD PRO A 82 -0.522 -3.081 -8.098 1.00 0.00 C ATOM 0 HA PRO A 82 1.691 -1.120 -7.186 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.905 -0.249 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.315 -0.170 -8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.024 -2.313 -6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.144 -1.650 -8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.975 -4.065 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.310 -2.958 -9.160 1.00 0.00 H new ATOM 786 N VAL A 83 1.977 -0.488 -5.024 1.00 0.00 N ATOM 787 CA VAL A 83 2.477 -0.125 -3.686 1.00 0.00 C ATOM 788 C VAL A 83 2.250 1.361 -3.346 1.00 0.00 C ATOM 789 O VAL A 83 2.832 2.272 -3.955 1.00 0.00 O ATOM 790 CB VAL A 83 3.981 -0.476 -3.581 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.527 -0.206 -2.177 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.264 -1.955 -3.879 1.00 0.00 C ATOM 0 H VAL A 83 2.433 0.032 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 83 1.907 -0.702 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 83 4.468 0.158 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.585 -0.464 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.403 0.850 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.982 -0.811 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.334 -2.146 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.724 -2.579 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.935 -2.192 -4.891 1.00 0.00 H new ATOM 794 N LEU A 84 1.461 1.545 -2.298 1.00 0.00 N ATOM 795 CA LEU A 84 1.137 2.871 -1.730 1.00 0.00 C ATOM 796 C LEU A 84 1.856 2.989 -0.383 1.00 0.00 C ATOM 797 O LEU A 84 1.590 2.243 0.562 1.00 0.00 O ATOM 798 CB LEU A 84 -0.377 3.066 -1.548 1.00 0.00 C ATOM 799 CG LEU A 84 -0.740 4.414 -0.921 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.457 5.583 -1.869 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.217 4.445 -0.529 1.00 0.00 C ATOM 0 H LEU A 84 1.015 0.774 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 84 1.469 3.648 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.867 2.980 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.767 2.264 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.115 4.526 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.729 6.520 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.604 5.599 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.043 5.463 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.455 5.412 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.832 4.291 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.418 3.654 0.194 1.00 0.00 H new ATOM 803 N MET A 85 2.914 3.789 -0.414 1.00 0.00 N ATOM 804 CA MET A 85 3.731 4.052 0.789 1.00 0.00 C ATOM 805 C MET A 85 3.089 5.102 1.687 1.00 0.00 C ATOM 806 O MET A 85 2.844 6.237 1.277 1.00 0.00 O ATOM 807 CB MET A 85 5.140 4.505 0.383 1.00 0.00 C ATOM 808 CG MET A 85 5.996 3.397 -0.238 1.00 0.00 C ATOM 809 SD MET A 85 6.787 2.294 0.986 1.00 0.00 S ATOM 810 CE MET A 85 5.663 0.915 1.014 1.00 0.00 C ATOM 0 H MET A 85 3.236 4.272 -1.253 1.00 0.00 H new ATOM 0 HA MET A 85 3.796 3.122 1.353 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.055 5.326 -0.328 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.652 4.896 1.262 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.372 2.798 -0.901 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.770 3.853 -0.855 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.265 0.790 2.021 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.843 1.100 0.320 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.191 0.009 0.718 1.00 0.00 H new ATOM 812 N VAL A 86 2.716 4.630 2.863 1.00 0.00 N ATOM 813 CA VAL A 86 2.082 5.485 3.889 1.00 0.00 C ATOM 814 C VAL A 86 3.197 5.865 4.860 1.00 0.00 C ATOM 815 O VAL A 86 3.741 5.015 5.569 1.00 0.00 O ATOM 816 CB VAL A 86 0.948 4.819 4.684 1.00 0.00 C ATOM 817 CG1 VAL A 86 -0.074 5.916 4.956 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.199 3.703 3.936 1.00 0.00 C ATOM 0 H VAL A 86 2.836 3.657 3.146 1.00 0.00 H new ATOM 0 HA VAL A 86 1.616 6.329 3.381 1.00 0.00 H new ATOM 0 HB VAL A 86 1.397 4.362 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.909 5.503 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.394 6.715 5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.439 6.316 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.582 3.295 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.252 4.111 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.899 2.912 3.668 1.00 0.00 H new ATOM 820 N THR A 87 3.573 7.130 4.843 1.00 0.00 N ATOM 821 CA THR A 87 4.725 7.565 5.655 1.00 0.00 C ATOM 822 C THR A 87 4.454 8.477 6.841 1.00 0.00 C ATOM 823 O THR A 87 3.438 9.167 6.940 1.00 0.00 O ATOM 824 CB THR A 87 5.824 8.164 4.764 1.00 0.00 C ATOM 825 OG1 THR A 87 5.416 9.499 4.437 1.00 0.00 O ATOM 826 CG2 THR A 87 6.077 7.333 3.505 1.00 0.00 C ATOM 0 H THR A 87 3.122 7.865 4.298 1.00 0.00 H new ATOM 0 HA THR A 87 5.051 6.636 6.123 1.00 0.00 H new ATOM 0 HB THR A 87 6.773 8.166 5.300 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.942 9.825 3.677 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.862 7.801 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.387 6.327 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.162 7.277 2.916 1.00 0.00 H new ATOM 829 N ALA A 88 5.389 8.360 7.786 1.00 0.00 N ATOM 830 CA ALA A 88 5.417 9.132 9.044 1.00 0.00 C ATOM 831 C ALA A 88 5.624 10.646 8.836 1.00 0.00 C ATOM 832 O ALA A 88 5.214 11.443 9.677 1.00 0.00 O ATOM 833 CB ALA A 88 6.519 8.559 9.937 1.00 0.00 C ATOM 0 H ALA A 88 6.171 7.711 7.702 1.00 0.00 H new ATOM 0 HA ALA A 88 4.439 9.033 9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.556 9.117 10.873 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.308 7.510 10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.479 8.641 9.428 1.00 0.00 H new ATOM 835 N GLU A 89 6.366 10.998 7.786 1.00 0.00 N ATOM 836 CA GLU A 89 6.668 12.392 7.404 1.00 0.00 C ATOM 837 C GLU A 89 7.116 12.409 5.937 1.00 0.00 C ATOM 838 O GLU A 89 8.066 11.721 5.572 1.00 0.00 O ATOM 839 CB GLU A 89 7.796 12.954 8.274 1.00 0.00 C ATOM 840 CG GLU A 89 7.667 14.466 8.548 1.00 0.00 C ATOM 841 CD GLU A 89 7.633 15.342 7.298 1.00 0.00 C ATOM 842 OE1 GLU A 89 8.723 15.585 6.736 1.00 0.00 O ATOM 843 OE2 GLU A 89 6.499 15.675 6.876 1.00 0.00 O ATOM 0 H GLU A 89 6.787 10.312 7.159 1.00 0.00 H new ATOM 0 HA GLU A 89 5.777 13.004 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.811 12.421 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.751 12.762 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.757 14.641 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.503 14.781 9.173 1.00 0.00 H new ATOM 845 N ALA A 90 6.433 13.212 5.127 1.00 0.00 N ATOM 846 CA ALA A 90 6.764 13.355 3.695 1.00 0.00 C ATOM 847 C ALA A 90 7.914 14.353 3.509 1.00 0.00 C ATOM 848 O ALA A 90 7.737 15.570 3.490 1.00 0.00 O ATOM 849 CB ALA A 90 5.525 13.738 2.883 1.00 0.00 C ATOM 0 H ALA A 90 5.642 13.780 5.430 1.00 0.00 H new ATOM 0 HA ALA A 90 7.104 12.392 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.795 13.837 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.766 12.964 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.130 14.686 3.247 1.00 0.00 H new ATOM 851 N LYS A 91 9.121 13.790 3.531 1.00 0.00 N ATOM 852 CA LYS A 91 10.370 14.561 3.382 1.00 0.00 C ATOM 853 C LYS A 91 11.158 14.041 2.174 1.00 0.00 C ATOM 854 O LYS A 91 11.387 12.839 2.041 1.00 0.00 O ATOM 855 CB LYS A 91 11.188 14.434 4.676 1.00 0.00 C ATOM 856 CG LYS A 91 12.113 15.648 4.851 1.00 0.00 C ATOM 857 CD LYS A 91 12.911 15.627 6.156 1.00 0.00 C ATOM 858 CE LYS A 91 12.042 15.792 7.411 1.00 0.00 C ATOM 859 NZ LYS A 91 12.892 15.855 8.606 1.00 0.00 N ATOM 0 H LYS A 91 9.269 12.788 3.652 1.00 0.00 H new ATOM 0 HA LYS A 91 10.147 15.614 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.517 14.355 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.780 13.519 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.807 15.690 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.515 16.558 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.457 14.686 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.653 16.425 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.444 16.700 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.346 14.957 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.296 15.967 9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.444 14.977 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.539 16.666 8.529 1.00 0.00 H new ATOM 864 N LYS A 92 11.622 14.984 1.358 1.00 0.00 N ATOM 865 CA LYS A 92 12.365 14.755 0.094 1.00 0.00 C ATOM 866 C LYS A 92 13.144 13.441 -0.047 1.00 0.00 C ATOM 867 O LYS A 92 12.777 12.612 -0.878 1.00 0.00 O ATOM 868 CB LYS A 92 13.284 15.936 -0.215 1.00 0.00 C ATOM 869 CG LYS A 92 12.489 17.192 -0.572 1.00 0.00 C ATOM 870 CD LYS A 92 13.435 18.343 -0.913 1.00 0.00 C ATOM 871 CE LYS A 92 12.636 19.610 -1.203 1.00 0.00 C ATOM 872 NZ LYS A 92 13.577 20.699 -1.506 1.00 0.00 N ATOM 0 H LYS A 92 11.492 15.976 1.557 1.00 0.00 H new ATOM 0 HA LYS A 92 11.564 14.662 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.918 16.139 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.945 15.676 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.835 16.987 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.849 17.475 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.121 18.518 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.042 18.080 -1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.962 19.448 -2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.018 19.872 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.046 21.571 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.203 20.854 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.148 20.443 -2.337 1.00 0.00 H new ATOM 877 N GLU A 93 14.136 13.204 0.822 1.00 0.00 N ATOM 878 CA GLU A 93 14.954 11.974 0.780 1.00 0.00 C ATOM 879 C GLU A 93 14.140 10.665 0.800 1.00 0.00 C ATOM 880 O GLU A 93 14.251 9.874 -0.139 1.00 0.00 O ATOM 881 CB GLU A 93 16.103 11.976 1.797 1.00 0.00 C ATOM 882 CG GLU A 93 15.749 11.899 3.290 1.00 0.00 C ATOM 883 CD GLU A 93 14.914 13.065 3.845 1.00 0.00 C ATOM 884 OE1 GLU A 93 15.088 14.209 3.360 1.00 0.00 O ATOM 885 OE2 GLU A 93 14.026 12.745 4.664 1.00 0.00 O ATOM 0 H GLU A 93 14.396 13.849 1.568 1.00 0.00 H new ATOM 0 HA GLU A 93 15.420 11.996 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.755 11.134 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.686 12.883 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.204 10.972 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.676 11.838 3.860 1.00 0.00 H new ATOM 887 N ASN A 94 13.157 10.564 1.703 1.00 0.00 N ATOM 888 CA ASN A 94 12.319 9.351 1.789 1.00 0.00 C ATOM 889 C ASN A 94 11.372 9.205 0.583 1.00 0.00 C ATOM 890 O ASN A 94 11.182 8.103 0.077 1.00 0.00 O ATOM 891 CB ASN A 94 11.614 9.173 3.144 1.00 0.00 C ATOM 892 CG ASN A 94 10.555 10.196 3.550 1.00 0.00 C ATOM 893 OD1 ASN A 94 9.801 10.745 2.763 1.00 0.00 O ATOM 894 ND2 ASN A 94 10.381 10.360 4.846 1.00 0.00 N ATOM 0 H ASN A 94 12.921 11.292 2.377 1.00 0.00 H new ATOM 0 HA ASN A 94 13.013 8.513 1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.144 8.189 3.148 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.381 9.163 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.618 10.944 5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.009 9.903 5.507 1.00 0.00 H new ATOM 898 N ILE A 95 10.892 10.348 0.074 1.00 0.00 N ATOM 899 CA ILE A 95 10.019 10.407 -1.122 1.00 0.00 C ATOM 900 C ILE A 95 10.752 9.805 -2.337 1.00 0.00 C ATOM 901 O ILE A 95 10.298 8.800 -2.899 1.00 0.00 O ATOM 902 CB ILE A 95 9.566 11.879 -1.355 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.711 12.361 -0.175 1.00 0.00 C ATOM 904 CG2 ILE A 95 8.815 12.046 -2.686 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.448 13.874 -0.144 1.00 0.00 C ATOM 0 H ILE A 95 11.095 11.263 0.476 1.00 0.00 H new ATOM 0 HA ILE A 95 9.120 9.809 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 95 10.461 12.498 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.754 11.841 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.204 12.073 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.518 13.088 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.467 11.756 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.928 11.413 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.836 14.119 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.397 14.407 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.924 14.171 -1.052 1.00 0.00 H new ATOM 907 N ILE A 96 11.954 10.315 -2.599 1.00 0.00 N ATOM 908 CA ILE A 96 12.826 9.843 -3.703 1.00 0.00 C ATOM 909 C ILE A 96 13.125 8.342 -3.526 1.00 0.00 C ATOM 910 O ILE A 96 12.850 7.563 -4.440 1.00 0.00 O ATOM 911 CB ILE A 96 14.108 10.703 -3.795 1.00 0.00 C ATOM 912 CG1 ILE A 96 13.754 12.191 -3.937 1.00 0.00 C ATOM 913 CG2 ILE A 96 14.954 10.260 -5.005 1.00 0.00 C ATOM 914 CD1 ILE A 96 14.894 13.132 -3.535 1.00 0.00 C ATOM 0 H ILE A 96 12.364 11.073 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 96 12.308 9.962 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 96 14.680 10.563 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.475 12.393 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.880 12.409 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 96 15.855 10.871 -5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.233 9.212 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.374 10.383 -5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 96 14.574 14.166 -3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.159 12.958 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 96 15.762 12.942 -4.166 1.00 0.00 H new ATOM 916 N ALA A 97 13.493 7.948 -2.303 1.00 0.00 N ATOM 917 CA ALA A 97 13.802 6.546 -1.947 1.00 0.00 C ATOM 918 C ALA A 97 12.676 5.575 -2.361 1.00 0.00 C ATOM 919 O ALA A 97 12.913 4.618 -3.103 1.00 0.00 O ATOM 920 CB ALA A 97 14.060 6.441 -0.440 1.00 0.00 C ATOM 0 H ALA A 97 13.588 8.594 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 97 14.696 6.255 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.287 5.407 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.903 7.077 -0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.173 6.765 0.104 1.00 0.00 H new ATOM 922 N ALA A 98 11.437 5.945 -2.018 1.00 0.00 N ATOM 923 CA ALA A 98 10.230 5.150 -2.340 1.00 0.00 C ATOM 924 C ALA A 98 9.999 5.014 -3.856 1.00 0.00 C ATOM 925 O ALA A 98 9.845 3.904 -4.367 1.00 0.00 O ATOM 926 CB ALA A 98 9.034 5.805 -1.649 1.00 0.00 C ATOM 0 H ALA A 98 11.235 6.805 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 98 10.366 4.132 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.130 5.238 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.199 5.819 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.919 6.827 -2.011 1.00 0.00 H new ATOM 928 N ALA A 99 10.093 6.145 -4.553 1.00 0.00 N ATOM 929 CA ALA A 99 9.930 6.213 -6.023 1.00 0.00 C ATOM 930 C ALA A 99 10.967 5.330 -6.744 1.00 0.00 C ATOM 931 O ALA A 99 10.588 4.394 -7.459 1.00 0.00 O ATOM 932 CB ALA A 99 10.054 7.678 -6.472 1.00 0.00 C ATOM 0 H ALA A 99 10.285 7.049 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 99 8.944 5.832 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.935 7.738 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.280 8.274 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.035 8.062 -6.193 1.00 0.00 H new ATOM 934 N GLN A 100 12.227 5.471 -6.327 1.00 0.00 N ATOM 935 CA GLN A 100 13.376 4.705 -6.877 1.00 0.00 C ATOM 936 C GLN A 100 13.219 3.185 -6.695 1.00 0.00 C ATOM 937 O GLN A 100 13.645 2.403 -7.538 1.00 0.00 O ATOM 938 CB GLN A 100 14.703 5.121 -6.235 1.00 0.00 C ATOM 939 CG GLN A 100 15.102 6.597 -6.404 1.00 0.00 C ATOM 940 CD GLN A 100 15.229 7.068 -7.855 1.00 0.00 C ATOM 941 OE1 GLN A 100 14.394 7.784 -8.393 1.00 0.00 O ATOM 942 NE2 GLN A 100 16.321 6.735 -8.508 1.00 0.00 N ATOM 0 H GLN A 100 12.494 6.124 -5.590 1.00 0.00 H new ATOM 0 HA GLN A 100 13.386 4.941 -7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.653 4.899 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.496 4.501 -6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.362 7.218 -5.899 1.00 0.00 H new ATOM 0 HG3 GLN A 100 16.054 6.761 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.019 6.139 -8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.470 7.073 -9.459 1.00 0.00 H new ATOM 946 N ALA A 101 12.646 2.802 -5.556 1.00 0.00 N ATOM 947 CA ALA A 101 12.408 1.388 -5.186 1.00 0.00 C ATOM 948 C ALA A 101 11.184 0.702 -5.850 1.00 0.00 C ATOM 949 O ALA A 101 10.959 -0.486 -5.609 1.00 0.00 O ATOM 950 CB ALA A 101 12.319 1.304 -3.656 1.00 0.00 C ATOM 0 H ALA A 101 12.326 3.464 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 101 13.253 0.823 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.144 0.270 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.253 1.655 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.497 1.927 -3.305 1.00 0.00 H new ATOM 952 N GLY A 102 10.393 1.454 -6.608 1.00 0.00 N ATOM 953 CA GLY A 102 9.223 0.914 -7.333 1.00 0.00 C ATOM 954 C GLY A 102 7.828 1.398 -6.888 1.00 0.00 C ATOM 955 O GLY A 102 6.855 1.102 -7.591 1.00 0.00 O ATOM 0 H GLY A 102 10.535 2.455 -6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.341 1.153 -8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.246 -0.172 -7.248 1.00 0.00 H new ATOM 957 N ALA A 103 7.719 2.186 -5.820 1.00 0.00 N ATOM 958 CA ALA A 103 6.422 2.657 -5.289 1.00 0.00 C ATOM 959 C ALA A 103 5.538 3.419 -6.292 1.00 0.00 C ATOM 960 O ALA A 103 5.839 4.542 -6.712 1.00 0.00 O ATOM 961 CB ALA A 103 6.616 3.502 -4.023 1.00 0.00 C ATOM 0 H ALA A 103 8.524 2.522 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 103 5.881 1.740 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.645 3.834 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.108 2.902 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.232 4.370 -4.256 1.00 0.00 H new ATOM 963 N SER A 104 4.401 2.799 -6.574 1.00 0.00 N ATOM 964 CA SER A 104 3.380 3.341 -7.502 1.00 0.00 C ATOM 965 C SER A 104 2.667 4.607 -6.988 1.00 0.00 C ATOM 966 O SER A 104 2.002 5.289 -7.763 1.00 0.00 O ATOM 967 CB SER A 104 2.335 2.280 -7.875 1.00 0.00 C ATOM 968 OG SER A 104 1.676 1.796 -6.706 1.00 0.00 O ATOM 0 H SER A 104 4.145 1.898 -6.170 1.00 0.00 H new ATOM 0 HA SER A 104 3.943 3.632 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.604 2.707 -8.562 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.817 1.453 -8.396 1.00 0.00 H new ATOM 0 HG SER A 104 2.161 2.097 -5.909 1.00 0.00 H new ATOM 971 N GLY A 105 2.743 4.845 -5.677 1.00 0.00 N ATOM 972 CA GLY A 105 2.130 6.002 -5.002 1.00 0.00 C ATOM 973 C GLY A 105 2.667 6.197 -3.577 1.00 0.00 C ATOM 974 O GLY A 105 3.171 5.260 -2.954 1.00 0.00 O ATOM 0 H GLY A 105 3.242 4.228 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.320 6.903 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.049 5.868 -4.965 1.00 0.00 H new ATOM 976 N TYR A 106 2.452 7.398 -3.060 1.00 0.00 N ATOM 977 CA TYR A 106 2.913 7.806 -1.717 1.00 0.00 C ATOM 978 C TYR A 106 1.919 8.778 -1.062 1.00 0.00 C ATOM 979 O TYR A 106 1.583 9.819 -1.635 1.00 0.00 O ATOM 980 CB TYR A 106 4.289 8.477 -1.888 1.00 0.00 C ATOM 981 CG TYR A 106 5.041 8.921 -0.627 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.542 9.984 0.156 1.00 0.00 C ATOM 983 CD2 TYR A 106 6.326 8.379 -0.399 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.317 10.485 1.213 1.00 0.00 C ATOM 985 CE2 TYR A 106 7.118 8.894 0.656 1.00 0.00 C ATOM 986 CZ TYR A 106 6.575 9.921 1.457 1.00 0.00 C ATOM 987 OH TYR A 106 7.195 10.309 2.601 1.00 0.00 O ATOM 0 H TYR A 106 1.948 8.133 -3.557 1.00 0.00 H new ATOM 0 HA TYR A 106 2.985 6.936 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.931 7.785 -2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.155 9.354 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.572 10.408 -0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 106 6.700 7.581 -1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.949 11.293 1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 106 8.111 8.511 0.842 1.00 0.00 H new ATOM 0 HH TYR A 106 8.087 10.654 2.389 1.00 0.00 H new ATOM 990 N VAL A 107 1.503 8.407 0.144 1.00 0.00 N ATOM 991 CA VAL A 107 0.610 9.227 0.989 1.00 0.00 C ATOM 992 C VAL A 107 1.164 9.343 2.421 1.00 0.00 C ATOM 993 O VAL A 107 1.766 8.413 2.954 1.00 0.00 O ATOM 994 CB VAL A 107 -0.858 8.745 0.899 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.245 7.598 1.842 1.00 0.00 C ATOM 996 CG2 VAL A 107 -1.808 9.921 1.149 1.00 0.00 C ATOM 0 H VAL A 107 1.772 7.523 0.576 1.00 0.00 H new ATOM 0 HA VAL A 107 0.590 10.246 0.602 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.950 8.345 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.294 7.343 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.626 6.727 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.090 7.909 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.840 9.575 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.625 10.332 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.636 10.693 0.399 1.00 0.00 H new ATOM 998 N VAL A 108 1.111 10.557 2.970 1.00 0.00 N ATOM 999 CA VAL A 108 1.600 10.817 4.345 1.00 0.00 C ATOM 1000 C VAL A 108 0.460 10.702 5.383 1.00 0.00 C ATOM 1001 O VAL A 108 -0.696 10.983 5.087 1.00 0.00 O ATOM 1002 CB VAL A 108 2.331 12.176 4.386 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.410 13.383 4.124 1.00 0.00 C ATOM 1004 CG2 VAL A 108 3.100 12.380 5.696 1.00 0.00 C ATOM 0 H VAL A 108 0.738 11.379 2.495 1.00 0.00 H new ATOM 0 HA VAL A 108 2.322 10.050 4.624 1.00 0.00 H new ATOM 0 HB VAL A 108 3.044 12.131 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.994 14.302 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.958 13.288 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.626 13.414 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.598 13.349 5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.405 12.344 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.845 11.592 5.807 1.00 0.00 H new ATOM 1006 N LYS A 109 0.816 10.211 6.564 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.107 10.102 7.710 1.00 0.00 C ATOM 1008 C LYS A 109 -0.021 11.418 8.501 1.00 0.00 C ATOM 1009 O LYS A 109 1.100 11.847 8.788 1.00 0.00 O ATOM 1010 CB LYS A 109 0.280 8.941 8.634 1.00 0.00 C ATOM 1011 CG LYS A 109 0.108 7.548 8.022 1.00 0.00 C ATOM 1012 CD LYS A 109 0.528 6.405 8.960 1.00 0.00 C ATOM 1013 CE LYS A 109 2.043 6.154 9.042 1.00 0.00 C ATOM 1014 NZ LYS A 109 2.727 7.190 9.840 1.00 0.00 N ATOM 0 H LYS A 109 1.757 9.872 6.765 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.116 9.916 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.321 9.065 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.322 9.001 9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.936 7.411 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.695 7.488 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.156 6.622 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.040 5.487 8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.226 5.175 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.463 6.133 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.610 6.802 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.945 8.007 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.109 7.492 10.620 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.152 12.067 8.807 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.529 11.653 8.471 1.00 0.00 C ATOM 1021 C PRO A 110 -2.969 12.012 7.040 1.00 0.00 C ATOM 1022 O PRO A 110 -2.536 13.000 6.446 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.396 12.377 9.501 1.00 0.00 C ATOM 1024 CG PRO A 110 -2.636 13.672 9.771 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.172 13.239 9.712 1.00 0.00 C ATOM 0 HA PRO A 110 -2.617 10.567 8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.396 12.573 9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.515 11.786 10.409 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.861 14.433 9.024 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.892 14.094 10.743 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.539 14.041 9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.798 12.979 10.702 1.00 0.00 H new ATOM 1026 N PHE A 111 -3.942 11.232 6.575 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.569 11.326 5.242 1.00 0.00 C ATOM 1028 C PHE A 111 -6.050 10.925 5.384 1.00 0.00 C ATOM 1029 O PHE A 111 -6.411 10.184 6.299 1.00 0.00 O ATOM 1030 CB PHE A 111 -3.844 10.462 4.208 1.00 0.00 C ATOM 1031 CG PHE A 111 -3.864 8.963 4.493 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.056 8.450 5.530 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.730 8.131 3.754 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.133 7.085 5.859 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.778 6.759 4.048 1.00 0.00 C ATOM 1036 CZ PHE A 111 -3.994 6.239 5.117 1.00 0.00 C ATOM 0 H PHE A 111 -4.339 10.479 7.137 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.497 12.349 4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.294 10.637 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.807 10.791 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.383 9.101 6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.349 8.544 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.542 6.685 6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.407 6.101 3.466 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.056 5.190 5.365 1.00 0.00 H new ATOM 1038 N THR A 112 -6.876 11.405 4.462 1.00 0.00 N ATOM 1039 CA THR A 112 -8.325 11.124 4.463 1.00 0.00 C ATOM 1040 C THR A 112 -8.760 10.343 3.209 1.00 0.00 C ATOM 1041 O THR A 112 -7.960 10.159 2.292 1.00 0.00 O ATOM 1042 CB THR A 112 -9.114 12.440 4.662 1.00 0.00 C ATOM 1043 OG1 THR A 112 -10.503 12.133 4.881 1.00 0.00 O ATOM 1044 CG2 THR A 112 -8.954 13.445 3.519 1.00 0.00 C ATOM 0 H THR A 112 -6.571 11.999 3.691 1.00 0.00 H new ATOM 0 HA THR A 112 -8.557 10.470 5.304 1.00 0.00 H new ATOM 0 HB THR A 112 -8.690 12.933 5.537 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.006 12.965 5.009 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.538 14.339 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.903 13.715 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.307 12.998 2.589 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.044 9.991 3.147 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.646 9.265 2.004 1.00 0.00 C ATOM 1049 C ALA A 113 -10.328 9.956 0.663 1.00 0.00 C ATOM 1050 O ALA A 113 -9.803 9.316 -0.245 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.159 9.127 2.201 1.00 0.00 C ATOM 0 H ALA A 113 -10.711 10.199 3.890 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.205 8.269 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.589 8.592 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.357 8.573 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.609 10.117 2.270 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.409 11.285 0.660 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.090 12.133 -0.506 1.00 0.00 C ATOM 1055 C ALA A 114 -8.616 12.006 -0.924 1.00 0.00 C ATOM 1056 O ALA A 114 -8.340 11.578 -2.045 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.446 13.593 -0.175 1.00 0.00 C ATOM 0 H ALA A 114 -10.702 11.820 1.477 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.683 11.795 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.214 14.227 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.510 13.666 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.867 13.922 0.688 1.00 0.00 H new ATOM 1059 N THR A 115 -7.700 12.204 0.022 1.00 0.00 N ATOM 1060 CA THR A 115 -6.239 12.088 -0.208 1.00 0.00 C ATOM 1061 C THR A 115 -5.882 10.683 -0.737 1.00 0.00 C ATOM 1062 O THR A 115 -5.226 10.559 -1.764 1.00 0.00 O ATOM 1063 CB THR A 115 -5.446 12.321 1.081 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.133 13.208 1.965 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.068 12.910 0.750 1.00 0.00 C ATOM 0 H THR A 115 -7.940 12.452 0.982 1.00 0.00 H new ATOM 0 HA THR A 115 -5.975 12.850 -0.941 1.00 0.00 H new ATOM 0 HB THR A 115 -5.332 11.357 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.538 13.461 2.702 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.511 13.073 1.673 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.520 12.217 0.112 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.194 13.860 0.230 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.443 9.665 -0.074 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.281 8.238 -0.416 1.00 0.00 C ATOM 1070 C LEU A 116 -6.709 8.033 -1.890 1.00 0.00 C ATOM 1071 O LEU A 116 -5.897 7.633 -2.726 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.143 7.388 0.519 1.00 0.00 C ATOM 1073 CG LEU A 116 -6.477 6.071 0.939 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -7.431 5.324 1.872 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -6.069 5.154 -0.214 1.00 0.00 C ATOM 0 H LEU A 116 -7.041 9.810 0.740 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.241 7.933 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.377 7.968 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.089 7.166 0.026 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.544 6.342 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.975 4.384 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.634 5.936 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.365 5.119 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.608 4.251 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.951 4.885 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.356 5.672 -0.856 1.00 0.00 H new ATOM 1077 N GLU A 117 -7.921 8.503 -2.206 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.529 8.437 -3.554 1.00 0.00 C ATOM 1079 C GLU A 117 -7.640 9.095 -4.618 1.00 0.00 C ATOM 1080 O GLU A 117 -7.361 8.467 -5.633 1.00 0.00 O ATOM 1081 CB GLU A 117 -9.928 9.074 -3.500 1.00 0.00 C ATOM 1082 CG GLU A 117 -10.756 8.903 -4.780 1.00 0.00 C ATOM 1083 CD GLU A 117 -10.694 10.075 -5.769 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -9.834 10.973 -5.603 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -11.557 10.091 -6.669 1.00 0.00 O ATOM 0 H GLU A 117 -8.527 8.952 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.624 7.393 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.479 8.640 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.821 10.138 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.420 8.001 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.797 8.742 -4.500 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.127 10.299 -4.338 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.227 11.018 -5.274 1.00 0.00 C ATOM 1089 C GLU A 118 -5.043 10.143 -5.726 1.00 0.00 C ATOM 1090 O GLU A 118 -4.839 9.945 -6.925 1.00 0.00 O ATOM 1091 CB GLU A 118 -5.700 12.329 -4.667 1.00 0.00 C ATOM 1092 CG GLU A 118 -6.622 13.533 -4.916 1.00 0.00 C ATOM 1093 CD GLU A 118 -7.727 13.699 -3.870 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -7.406 14.215 -2.779 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -8.884 13.356 -4.201 1.00 0.00 O ATOM 0 H GLU A 118 -7.315 10.804 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 118 -6.831 11.257 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -5.570 12.197 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.715 12.543 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.019 14.441 -4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.080 13.429 -5.900 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.425 9.473 -4.751 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.288 8.567 -4.976 1.00 0.00 C ATOM 1099 C LYS A 119 -3.708 7.300 -5.744 1.00 0.00 C ATOM 1100 O LYS A 119 -3.091 6.951 -6.754 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.637 8.196 -3.629 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.247 9.424 -2.784 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.201 10.325 -3.439 1.00 0.00 C ATOM 1104 CE LYS A 119 -1.057 11.645 -2.678 1.00 0.00 C ATOM 1105 NZ LYS A 119 0.045 12.418 -3.253 1.00 0.00 N ATOM 0 H LYS A 119 -4.700 9.542 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.559 9.091 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.327 7.575 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.747 7.595 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.142 10.012 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.866 9.083 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.240 9.811 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.485 10.526 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.985 12.214 -2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.868 11.451 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.145 13.316 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.928 11.874 -3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.154 12.614 -4.255 1.00 0.00 H new ATOM 1110 N LEU A 120 -4.829 6.707 -5.332 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.423 5.505 -5.974 1.00 0.00 C ATOM 1112 C LEU A 120 -5.691 5.720 -7.468 1.00 0.00 C ATOM 1113 O LEU A 120 -5.246 4.945 -8.308 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.749 5.121 -5.301 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.607 4.555 -3.894 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -7.995 4.414 -3.266 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.895 3.204 -3.874 1.00 0.00 C ATOM 0 H LEU A 120 -5.367 7.043 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.692 4.705 -5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.389 6.002 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.258 4.386 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.994 5.250 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.899 4.009 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.475 5.392 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.602 3.740 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.821 2.847 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.460 2.486 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.895 3.314 -4.293 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.374 6.827 -7.771 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.736 7.269 -9.135 1.00 0.00 C ATOM 1121 C ASN A 121 -5.516 7.300 -10.074 1.00 0.00 C ATOM 1122 O ASN A 121 -5.506 6.655 -11.124 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.356 8.668 -9.036 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.771 8.675 -8.440 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.197 7.824 -7.668 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.513 9.724 -8.716 1.00 0.00 N ATOM 0 H ASN A 121 -6.706 7.469 -7.051 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.446 6.558 -9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.711 9.299 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.388 9.113 -10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.434 9.824 -8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.168 10.438 -9.357 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.455 7.951 -9.591 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.160 8.081 -10.287 1.00 0.00 C ATOM 1132 C LYS A 122 -2.597 6.697 -10.670 1.00 0.00 C ATOM 1133 O LYS A 122 -2.356 6.418 -11.852 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.221 8.825 -9.334 1.00 0.00 C ATOM 1135 CG LYS A 122 -0.952 9.344 -10.029 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.038 10.046 -9.021 1.00 0.00 C ATOM 1137 CE LYS A 122 1.183 9.199 -8.633 1.00 0.00 C ATOM 1138 NZ LYS A 122 0.795 7.961 -7.947 1.00 0.00 N ATOM 0 H LYS A 122 -4.467 8.416 -8.683 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.271 8.632 -11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.754 9.665 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.937 8.159 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.420 8.514 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.224 10.036 -10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.301 10.992 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.609 10.284 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.754 8.954 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.839 9.782 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.637 7.371 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.362 8.193 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.110 7.440 -8.531 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.614 5.791 -9.698 1.00 0.00 N ATOM 1144 CA ILE A 123 -2.147 4.395 -9.861 1.00 0.00 C ATOM 1145 C ILE A 123 -2.989 3.626 -10.897 1.00 0.00 C ATOM 1146 O ILE A 123 -2.436 2.954 -11.773 1.00 0.00 O ATOM 1147 CB ILE A 123 -2.117 3.705 -8.481 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -1.105 4.456 -7.592 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.725 2.223 -8.581 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.071 4.089 -6.106 1.00 0.00 C ATOM 0 H ILE A 123 -2.954 5.996 -8.759 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.133 4.399 -10.261 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.118 3.739 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.109 4.293 -8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.312 5.523 -7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.718 1.781 -7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.447 1.697 -9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.732 2.138 -9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.316 4.691 -5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.047 4.282 -5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.825 3.033 -5.998 1.00 0.00 H new ATOM 1152 N PHE A 124 -4.304 3.772 -10.829 1.00 0.00 N ATOM 1153 CA PHE A 124 -5.233 3.107 -11.766 1.00 0.00 C ATOM 1154 C PHE A 124 -5.017 3.516 -13.229 1.00 0.00 C ATOM 1155 O PHE A 124 -5.051 2.659 -14.121 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.698 3.288 -11.329 1.00 0.00 C ATOM 1157 CG PHE A 124 -7.002 2.638 -9.971 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -6.243 1.541 -9.493 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.946 3.277 -9.131 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -6.385 1.105 -8.159 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -8.089 2.841 -7.796 1.00 0.00 C ATOM 1162 CZ PHE A 124 -7.290 1.782 -7.314 1.00 0.00 C ATOM 0 H PHE A 124 -4.768 4.351 -10.129 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.001 2.043 -11.721 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.927 4.352 -11.276 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -7.353 2.858 -12.087 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.553 1.037 -10.153 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.550 4.089 -9.508 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.811 0.268 -7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.808 3.316 -7.145 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.373 1.484 -6.279 1.00 0.00 H new ATOM 1164 N GLU A 125 -4.619 4.771 -13.419 1.00 0.00 N ATOM 1165 CA GLU A 125 -4.280 5.317 -14.758 1.00 0.00 C ATOM 1166 C GLU A 125 -3.075 4.564 -15.344 1.00 0.00 C ATOM 1167 O GLU A 125 -3.160 3.986 -16.425 1.00 0.00 O ATOM 1168 CB GLU A 125 -3.988 6.826 -14.677 1.00 0.00 C ATOM 1169 CG GLU A 125 -5.197 7.676 -14.282 1.00 0.00 C ATOM 1170 CD GLU A 125 -6.328 7.630 -15.312 1.00 0.00 C ATOM 1171 OE1 GLU A 125 -6.159 8.280 -16.371 1.00 0.00 O ATOM 1172 OE2 GLU A 125 -7.345 6.981 -15.010 1.00 0.00 O ATOM 0 H GLU A 125 -4.518 5.447 -12.662 1.00 0.00 H new ATOM 0 HA GLU A 125 -5.137 5.176 -15.417 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -3.189 6.992 -13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -3.619 7.166 -15.645 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -5.576 7.332 -13.320 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -4.878 8.710 -14.148 1.00 0.00 H new ATOM 1174 N LYS A 126 -2.074 4.363 -14.482 1.00 0.00 N ATOM 1175 CA LYS A 126 -0.825 3.629 -14.785 1.00 0.00 C ATOM 1176 C LYS A 126 -1.128 2.149 -15.129 1.00 0.00 C ATOM 1177 O LYS A 126 -0.591 1.614 -16.088 1.00 0.00 O ATOM 1178 CB LYS A 126 0.072 3.749 -13.545 1.00 0.00 C ATOM 1179 CG LYS A 126 1.499 3.223 -13.698 1.00 0.00 C ATOM 1180 CD LYS A 126 2.248 3.450 -12.386 1.00 0.00 C ATOM 1181 CE LYS A 126 3.728 3.050 -12.422 1.00 0.00 C ATOM 1182 NZ LYS A 126 3.893 1.595 -12.581 1.00 0.00 N ATOM 0 H LYS A 126 -2.103 4.713 -13.525 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.323 4.049 -15.657 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.122 4.799 -13.257 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -0.405 3.215 -12.723 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.486 2.162 -13.947 1.00 0.00 H new ATOM 0 HG3 LYS A 126 2.005 3.736 -14.516 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.176 4.504 -12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 126 1.751 2.886 -11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 126 4.225 3.565 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 126 4.215 3.374 -11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 4.906 1.361 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 3.440 1.105 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.449 1.291 -13.471 1.00 0.00 H new ATOM 1187 N LEU A 127 -2.078 1.564 -14.389 1.00 0.00 N ATOM 1188 CA LEU A 127 -2.540 0.169 -14.550 1.00 0.00 C ATOM 1189 C LEU A 127 -3.501 -0.092 -15.736 1.00 0.00 C ATOM 1190 O LEU A 127 -3.935 -1.225 -15.931 1.00 0.00 O ATOM 1191 CB LEU A 127 -3.238 -0.287 -13.263 1.00 0.00 C ATOM 1192 CG LEU A 127 -2.304 -0.371 -12.051 1.00 0.00 C ATOM 1193 CD1 LEU A 127 -3.147 -0.573 -10.786 1.00 0.00 C ATOM 1194 CD2 LEU A 127 -1.264 -1.490 -12.188 1.00 0.00 C ATOM 0 H LEU A 127 -2.563 2.057 -13.639 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.634 -0.398 -14.766 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.051 0.403 -13.037 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.688 -1.265 -13.432 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.747 0.563 -11.987 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.491 -0.634 -9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.830 0.268 -10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.719 -1.496 -10.874 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -0.628 -1.506 -11.303 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.772 -2.449 -12.287 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -0.651 -1.311 -13.072 1.00 0.00 H new ATOM 1196 N GLY A 128 -3.819 0.955 -16.495 1.00 0.00 N ATOM 1197 CA GLY A 128 -4.749 0.884 -17.642 1.00 0.00 C ATOM 1198 C GLY A 128 -6.220 0.641 -17.259 1.00 0.00 C ATOM 1199 O GLY A 128 -7.011 0.122 -18.046 1.00 0.00 O ATOM 0 H GLY A 128 -3.440 1.889 -16.337 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -4.683 1.815 -18.205 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -4.424 0.085 -18.308 1.00 0.00 H new ATOM 1201 N MET A 129 -6.582 1.092 -16.062 1.00 0.00 N ATOM 1202 CA MET A 129 -7.951 0.963 -15.510 1.00 0.00 C ATOM 1203 C MET A 129 -8.828 2.205 -15.790 1.00 0.00 C ATOM 1204 O MET A 129 -8.283 3.324 -15.718 1.00 0.00 O ATOM 1205 CB MET A 129 -7.924 0.719 -13.993 1.00 0.00 C ATOM 1206 CG MET A 129 -7.390 -0.660 -13.612 1.00 0.00 C ATOM 1207 SD MET A 129 -7.337 -0.903 -11.795 1.00 0.00 S ATOM 1208 CE MET A 129 -6.820 -2.604 -11.702 1.00 0.00 C ATOM 1209 OXT MET A 129 -10.050 1.995 -15.956 1.00 0.00 O ATOM 0 H MET A 129 -5.935 1.565 -15.431 1.00 0.00 H new ATOM 0 HA MET A 129 -8.390 0.105 -16.019 1.00 0.00 H new ATOM 0 HB2 MET A 129 -7.307 1.483 -13.520 1.00 0.00 H new ATOM 0 HB3 MET A 129 -8.933 0.833 -13.596 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.019 -1.428 -14.062 1.00 0.00 H new ATOM 0 HG3 MET A 129 -6.389 -0.787 -14.023 1.00 0.00 H new ATOM 0 HE1 MET A 129 -6.741 -2.904 -10.657 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.552 -3.235 -12.206 1.00 0.00 H new ATOM 0 HE3 MET A 129 -5.850 -2.716 -12.186 1.00 0.00 H new TER 1211 MET A 129